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1458a_100011216618_100000731252 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.5 C#CCCCC(=O)COC 1458a_100000210968_100000731252 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.5 C#CCCCC(=O)CSC 1458a_100000184570_100000731252 [0,0,0,0,0,0|2,0,2]=4 15 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [0,0,0,0,0,0|1,0,2]=3 16 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [0,0,0,0,0,0|1,0,2]=3 17 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [0,0,0,0,0,0|1,0,2]=3 18 B9R0.5 C#CCCCC(=O)NNC 22a_100016993582_100000690238 [0,0,0,0,0,0|2,0,2]=4 19 B9R0.5 C#CCCNC(=O)CCC 11a_100000755551_100000211992 [0,0,0,0,0,0|2,0,2]=4 20 B9R0.5 C#CCCNC(=O)CCC 1626a_100000755551_100000211992 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.5 C#CCCNC(=O)CCC 240690a_100000755551_100000211992 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.5 C#CCCNC(=O)CCC 527a_100000755551_100000211992 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.5 C#CCCNC(=O)NCC 2708a_100000755551_100015525214 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.5 C#CCCNC(=O)NCC 2708a_100015525214_100000755551 [0,0,0,0,0,0|2,0,2]=4 25 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[0,0,0,0,0,0|2,0,2]=4 38 B9R0.5 C#CCSCC(=O)NCC 62a_100000038162_100000183381 [0,0,0,0,0,0|2,0,2]=4 39 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [0,0,0,0,0,0|1,0,2]=3 40 B9R0.5 C=CCC(=O)CCOC=C 1458a_100000210193_100000039644 [0,0,0,0,0,0|2,0,2]=4 41 B9R0.5 C=CCCCC(=O)C#CC 1458a_100000763181_100000757094 [0,0,0,0,0,0|1,0,1]=2 42 B9R0.5 C=CCCCC(=O)C=CBr 1458a_100016273825_100000757094 [0,0,0,0,0,0|2,0,1]=3 43 B9R0.5 C=CCCCC(=O)C=CC 1458a_100000210699_100000757094 [0,0,0,0,0,0|1,0,1]=2 44 B9R0.5 C=CCCCC(=O)C=CCl 1458a_200016279998_100000757094 [0,0,0,0,0,0|2,0,1]=3 45 B9R0.5 C=CCCCC(=O)C=CI 1458a_100016256311_100000757094 [0,0,0,0,0,0|2,0,1]=3 46 B9R0.5 C=CCCCC(=O)CC#N 1458a_100000766728_100011214920 [0,0,0,0,0,0|2,0,1]=3 47 B9R0.5 C=CCCCC(=O)CC#N 1458a_100051588842_100000757094 [0,0,0,0,0,0|2,0,1]=3 48 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000210193_100000757094 [0,0,0,0,0,0|1,0,2]=3 49 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000766728_100000210623 [0,0,0,0,0,0|1,0,2]=3 50 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,0,0,0,0,0|1,0,0]=1 51 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,0,0,0,0,0|1,0,0]=1 52 B9R0.5 C=CCCCC(=O)CCF 1458a_100000766728_100011217306 [0,0,0,0,0,0|2,0,0]=2 53 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [0,0,0,0,0,0|2,0,0]=2 54 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [0,0,0,0,0,0|2,0,0]=2 55 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [0,0,0,0,0,0|2,0,0]=2 56 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [0,0,0,0,0,0|2,0,0]=2 57 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [0,0,0,0,0,0|1,0,0]=1 58 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [0,0,0,0,0,0|1,0,0]=1 59 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [0,0,0,0,0,0|1,0,0]=1 60 B9R0.5 C=CCCCC(=O)NNC 22a_100016993582_100000766728 [0,0,0,0,0,0|2,0,0]=2 61 B9R0.5 C=CCCCN(C)CCC 2230a_100000747261_100011713584 [0,0,0,0,0,0|3,0,0]=3 62 B9R0.5 C=CCCCN(C)CCC 269982a_100000747261_100000757094 [0,0,0,0,0,0|3,0,0]=3 63 B9R0.5 C=CCCCN(C)CCO 2230a_100000210263_100011713584 [0,0,0,0,0,0|4,0,0]=4 64 B9R0.5 C=CCCCN(C)CCO 269982a_100000210263_100000757094 [0,0,0,0,0,0|4,0,0]=4 65 B9R0.5 C=CCCNC(=O)C=CBr 1626a_100015191253_100016273825 [0,0,0,0,0,0|3,0,1]=4 66 B9R0.5 C=CCCNC(=O)C=CBr 240690a_100015191253_100016273825 [0,0,0,0,0,0|3,0,1]=4 67 B9R0.5 C=CCCNC(=O)C=CC 11a_100015191253_100000210699 [0,0,0,0,0,0|2,0,1]=3 68 B9R0.5 C=CCCNC(=O)C=CC 1626a_100015191253_100000210699 [0,0,0,0,0,0|2,0,1]=3 69 B9R0.5 C=CCCNC(=O)C=CC 240690a_100015191253_100000210699 [0,0,0,0,0,0|2,0,1]=3 70 B9R0.5 C=CCCNC(=O)C=CCl 11a_100015191253_200016279998 [0,0,0,0,0,0|3,0,1]=4 71 B9R0.5 C=CCCNC(=O)C=CCl 1626a_100015191253_200016279998 [0,0,0,0,0,0|3,0,1]=4 72 B9R0.5 C=CCCNC(=O)C=CCl 240690a_100015191253_200016279998 [0,0,0,0,0,0|3,0,1]=4 73 B9R0.5 C=CCCNC(=O)C=CI 1626a_100015191253_100016256311 [0,0,0,0,0,0|3,0,1]=4 74 B9R0.5 C=CCCNC(=O)CC#N 1626a_100015191253_100051588842 [0,0,0,0,0,0|3,0,1]=4 75 B9R0.5 C=CCCNC(=O)CC#N 240690a_100015191253_100051588842 [0,0,0,0,0,0|3,0,1]=4 76 B9R0.5 C=CCCNC(=O)CC=C 11a_100015191253_100000210193 [0,0,0,0,0,0|2,0,2]=4 77 B9R0.5 C=CCCNC(=O)CC=C 1626a_100015191253_100000210193 [0,0,0,0,0,0|2,0,2]=4 78 B9R0.5 C=CCCNC(=O)CC=C 240690a_100015191253_100000210193 [0,0,0,0,0,0|2,0,2]=4 79 B9R0.5 C=CCCNC(=O)CC=C 527a_100015191253_100000210193 [0,0,0,0,0,0|2,0,2]=4 80 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [0,0,0,0,0,0|2,0,0]=2 81 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [0,0,0,0,0,0|2,0,0]=2 82 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [0,0,0,0,0,0|2,0,0]=2 83 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [0,0,0,0,0,0|2,0,0]=2 84 B9R0.5 C=CCCNC(=O)CCO 240690a_100015191253_100011216618 [0,0,0,0,0,0|3,0,0]=3 85 B9R0.5 C=CCCNC(=O)COC 11a_100015191253_100000210968 [0,0,0,0,0,0|3,0,0]=3 86 B9R0.5 C=CCCNC(=O)COC 1626a_100015191253_100000210968 [0,0,0,0,0,0|3,0,0]=3 87 B9R0.5 C=CCCNC(=O)COC 240690a_100015191253_100000210968 [0,0,0,0,0,0|3,0,0]=3 88 B9R0.5 C=CCCNC(=O)COC 527a_100015191253_100000210968 [0,0,0,0,0,0|3,0,0]=3 89 B9R0.5 C=CCCNC(=O)CSC 11a_100015191253_100000184570 [0,0,0,0,0,0|3,0,0]=3 90 B9R0.5 C=CCCNC(=O)CSC 1626a_100015191253_100000184570 [0,0,0,0,0,0|3,0,0]=3 91 B9R0.5 C=CCCNC(=O)CSC 240690a_100015191253_100000184570 [0,0,0,0,0,0|3,0,0]=3 92 B9R0.5 C=CCCNC(=O)CSC 527a_100015191253_100000184570 [0,0,0,0,0,0|3,0,0]=3 93 B9R0.5 C=CCCNC(=O)NCC 2708a_100015191253_100015525214 [0,0,0,0,0,0|2,0,0]=2 94 B9R0.5 C=CCCNC(=O)NCC 2708a_100015525214_100015191253 [0,0,0,0,0,0|2,0,0]=2 95 B9R0.5 C=CCCNC(=O)NCC 273464a_100015191253_100015525214 [0,0,0,0,0,0|2,0,0]=2 96 B9R0.5 C=CCCNC(=O)NCC 273464a_100015525214_100015191253 [0,0,0,0,0,0|2,0,0]=2 97 B9R0.5 C=CCCNC(=O)NCC 512a_100015191253_100015525214 [0,0,0,0,0,0|2,0,0]=2 98 B9R0.5 C=CCCNC(=O)NCC 512a_100015525214_100015191253 [0,0,0,0,0,0|2,0,0]=2 99 B9R0.5 C=CCCNC(=O)NNC 273464a_100015191253_100016993582 [0,0,0,0,0,0|3,0,0]=3 100 B9R0.5 C=CCCNC(=O)NNC 512a_100015191253_100016993582 [0,0,0,0,0,0|3,0,0]=3 101 B9R0.5 C=CCCNC(=O)NNC 512a_100016993582_100015191253 [0,0,0,0,0,0|3,0,0]=3 102 B9R0.5 C=CCCNC(C)CCC 2230a_100000741246_100000754431 [0,0,0,0,0,0|3,0,1]=4 103 B9R0.5 C=CCCNC(C)CCC 2230a_100015191253_100000766640 [0,0,0,0,0,0|3,0,1]=4 104 B9R0.5 C=CCCNC(C)CCC 270004a_100015191253_100000211909 [0,0,0,0,0,0|3,0,1]=4 105 B9R0.5 C=CCCOC(C)CCC 34a_100000764384_100000754431 [0,0,0,0,0,0|3,0,1]=4 106 B9R0.5 C=CCCOC(C)CCC 34a_100011205117_100000766640 [0,0,0,0,0,0|3,0,1]=4 107 B9R0.5 C=CCCOC(C)CCC 7a_100000764384_100000754431 [0,0,0,0,0,0|3,0,1]=4 108 B9R0.5 C=CCCSC(C)CCC 62a_100000754431_100000766640 [0,0,0,0,0,0|3,0,1]=4 109 B9R0.5 C=CCCSC(C)CCC 62a_100000766640_100000754431 [0,0,0,0,0,0|3,0,1]=4 110 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [0,0,0,0,0,0|2,0,0]=2 111 B9R0.5 C=CCNCC(=O)NCC 2230a_100016988866_100000210623 [0,0,0,0,0,0|2,0,0]=2 112 B9R0.5 C=CCNCC(=O)NCC 2230a_100020586998_100000183381 [0,0,0,0,0,0|2,0,0]=2 113 B9R0.5 C=CCNCC(=O)NCO 2230a_100020586998_100000185155 [0,0,0,0,0,0|3,0,0]=3 114 B9R0.5 C=CCNCC(=O)OC=C 2230a_100020586998_100000036128 [0,0,0,0,0,0|1,0,2]=3 115 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [0,0,0,0,0,0|1,0,0]=1 116 B9R0.5 C=CCNCC(C)CCC 2230a_100020586998_100011216630 [0,0,0,0,0,0|3,0,1]=4 117 B9R0.5 C=CCNCC(C)CCC 270004a_100020586998_100000243154 [0,0,0,0,0,0|3,0,1]=4 118 B9R0.5 C=CCNNC(=O)C#CC 22a_100020588587_100000763181 [0,0,0,0,0,0|3,0,1]=4 119 B9R0.5 C=CCNNC(=O)C=CC 22a_100020588587_100000210699 [0,0,0,0,0,0|3,0,1]=4 120 B9R0.5 C=CCNNC(=O)CCC 22a_100020588587_100000211992 [0,0,0,0,0,0|3,0,0]=3 121 B9R0.5 C=CCNNC(=O)CCO 22a_100020588587_100011216618 [0,0,0,0,0,0|4,0,0]=4 122 B9R0.5 C=CCNNC(=O)COC 22a_100020588587_100000210968 [0,0,0,0,0,0|4,0,0]=4 123 B9R0.5 C=CCNNC(=O)CSC 22a_100020588587_100000184570 [0,0,0,0,0,0|4,0,0]=4 124 B9R0.5 C=CCNNC(=O)NCC 273464a_100015525214_100020588587 [0,0,0,0,0,0|3,0,0]=3 125 B9R0.5 C=CCNNC(=O)NCC 512a_100015525214_100020588587 [0,0,0,0,0,0|3,0,0]=3 126 B9R0.5 C=CCNNC(=O)NCC 512a_100020588587_100015525214 [0,0,0,0,0,0|3,0,0]=3 127 B9R0.5 C=CCNNC(=O)NNC 512a_100016993582_100020588587 [0,0,0,0,0,0|4,0,0]=4 128 B9R0.5 C=CCNNC(=O)NNC 512a_100020588587_100016993582 [0,0,0,0,0,0|4,0,0]=4 129 B9R0.5 C=CCOCC(=O)NCC 34a_200000210373_100000183381 [0,0,0,0,0,0|2,0,0]=2 130 B9R0.5 C=CCOCC(=O)NCO 34a_200000210373_100000185155 [0,0,0,0,0,0|3,0,0]=3 131 B9R0.5 C=CCOCC(=O)OC=C 34a_200000210373_100000036128 [0,0,0,0,0,0|1,0,2]=3 132 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [0,0,0,0,0,0|1,0,0]=1 133 B9R0.5 C=CCOCC(C)CCC 34a_100000688023_100015514636 [0,0,0,0,0,0|3,0,1]=4 134 B9R0.5 C=CCOCC(C)CCC 34a_200000210373_100011216630 [0,0,0,0,0,0|3,0,1]=4 135 B9R0.5 C=CCOCC(C)CCC 7a_100000688023_100015514636 [0,0,0,0,0,0|3,0,1]=4 136 B9R0.5 C=CCOC[C@@H](N)CCC 34a_100000732646_100015514636 [0,0,0,0,0,0|3,0,1]=4 137 B9R0.5 C=CCSCC(=O)CC#N 1458a_100000230395_100011214920 [0,0,0,0,0,0|3,0,1]=4 138 B9R0.5 C=CCSCC(=O)CC=C 1458a_100000230395_100000210623 [0,0,0,0,0,0|2,0,2]=4 139 B9R0.5 C=CCSCC(=O)CCC 1458a_100000230395_100000210303 [0,0,0,0,0,0|2,0,0]=2 140 B9R0.5 C=CCSCC(=O)CCC 62a_100000210623_100000747444 [0,0,0,0,0,0|2,0,0]=2 141 B9R0.5 C=CCSCC(=O)CCC 62a_100000747444_100000210623 [0,0,0,0,0,0|2,0,0]=2 142 B9R0.5 C=CCSCC(=O)CCF 1458a_100000230395_100011217306 [0,0,0,0,0,0|3,0,0]=3 143 B9R0.5 C=CCSCC(=O)CCO 1458a_100000230395_100000211926 [0,0,0,0,0,0|3,0,0]=3 144 B9R0.5 C=CCSCC(=O)NCC 11a_100015525214_100000230395 [0,0,0,0,0,0|2,0,0]=2 145 B9R0.5 C=CCSCC(=O)NCC 240690a_100015525214_100000230395 [0,0,0,0,0,0|2,0,0]=2 146 B9R0.5 C=CCSCC(=O)NCC 527a_100015525214_100000230395 [0,0,0,0,0,0|2,0,0]=2 147 B9R0.5 C=CCSCC(=O)NCC 62a_100000183381_100000210623 [0,0,0,0,0,0|2,0,0]=2 148 B9R0.5 C=CCSCC(=O)NCC 62a_100000210623_100000183381 [0,0,0,0,0,0|2,0,0]=2 149 B9R0.5 C=CCSCC(=O)NCO 62a_100000185155_100000210623 [0,0,0,0,0,0|3,0,0]=3 150 B9R0.5 C=CCSCC(=O)NCO 62a_100000210623_100000185155 [0,0,0,0,0,0|3,0,0]=3 151 B9R0.5 C=CCSCC(=O)NNC 22a_100016993582_100000230395 [0,0,0,0,0,0|3,0,0]=3 152 B9R0.5 C=CCSCC(=O)OC=C 62a_100000036128_100000210623 [0,0,0,0,0,0|1,0,2]=3 153 B9R0.5 C=CCSCC(=O)OC=C 62a_100000210623_100000036128 [0,0,0,0,0,0|1,0,2]=3 154 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [0,0,0,0,0,0|1,0,0]=1 155 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [0,0,0,0,0,0|1,0,0]=1 156 B9R0.5 C=CCSCC(C)CCC 62a_100000210623_100011216630 [0,0,0,0,0,0|3,0,1]=4 157 B9R0.5 C=CCSCC(C)CCC 62a_100011216630_100000210623 [0,0,0,0,0,0|3,0,1]=4 158 B9R0.5 C=COC(=O)CSCC=O 62a_100000036128_200015260668 [0,0,0,0,0,0|2,0,2]=4 159 B9R0.5 C=COC(=O)CSCC=O 62a_200015260668_100000036128 [0,0,0,0,0,0|2,0,2]=4 160 B9R0.5 C=COCCC(=O)C#CC 1458a_100000763181_100000039644 [0,0,0,0,0,0|2,0,1]=3 161 B9R0.5 C=COCCC(=O)C=CBr 1458a_100016273825_100000039644 [0,0,0,0,0,0|3,0,1]=4 162 B9R0.5 C=COCCC(=O)C=CC 1458a_100000210699_100000039644 [0,0,0,0,0,0|2,0,1]=3 163 B9R0.5 C=COCCC(=O)C=CCl 1458a_200016279998_100000039644 [0,0,0,0,0,0|3,0,1]=4 164 B9R0.5 C=COCCC(=O)C=CI 1458a_100016256311_100000039644 [0,0,0,0,0,0|3,0,1]=4 165 B9R0.5 C=COCCC(=O)CC#N 1458a_100051588842_100000039644 [0,0,0,0,0,0|3,0,1]=4 166 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [0,0,0,0,0,0|2,0,0]=2 167 B9R0.5 C=COCCC(=O)CCO 1458a_100011216618_100000039644 [0,0,0,0,0,0|3,0,0]=3 168 B9R0.5 C=COCCC(=O)COC 1458a_100000210968_100000039644 [0,0,0,0,0,0|3,0,0]=3 169 B9R0.5 C=COCCC(=O)CSC 1458a_100000184570_100000039644 [0,0,0,0,0,0|3,0,0]=3 170 B9R0.5 C=COCCN(C)CCC 2230a_100000747261_100000039644 [0,0,0,0,0,0|4,0,0]=4 171 B9R0.5 C=COCCN(C)CCC 269982a_100000747261_100000039644 [0,0,0,0,0,0|4,0,0]=4 172 B9R0.5 CC#CC(=O)CCCC#N 1458a_100000763181_100000211468 [0,0,0,0,0,0|2,0,2]=4 173 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [0,0,0,0,0,0|1,0,3]=4 174 B9R0.5 CC#CC(=O)CCCCF 1458a_100000763181_100000729493 [0,0,0,0,0,0|2,0,2]=4 175 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [0,0,0,0,0,0|2,0,2]=4 176 B9R0.5 CC#CC(=O)CCCOC 1458a_100000763181_100000740836 [0,0,0,0,0,0|2,0,2]=4 177 B9R0.5 CC=CC(=O)CCCC#N 1458a_100000210699_100000211468 [0,0,0,0,0,0|2,0,2]=4 178 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,0,0,0,0,0|1,0,3]=4 179 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [0,0,0,0,0,0|2,0,2]=4 180 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,0,0,0,0,0|2,0,2]=4 181 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [0,0,0,0,0,0|2,0,2]=4 182 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [0,0,0,0,0,0|2,0,1]=3 183 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [0,0,0,0,0,0|2,0,1]=3 184 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,0,0,0,0,0|2,0,1]=3 185 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,0,0,0,0,0|2,0,1]=3 186 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,0,0,0,0,0|2,0,1]=3 187 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,0,0,0,0,0|2,0,1]=3 188 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,0,0,0,0,0|2,0,1]=3 189 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,0,0,0,0,0|2,0,1]=3 190 B9R0.5 CCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210303 [0,0,0,0,0,0|4,0,0]=4 191 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,0,0,0,0,0|2,0,2]=4 192 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,0,0,0,0,0|2,0,2]=4 193 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,0,0,0,0,0|2,0,2]=4 194 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,0,0,0,0,0|2,0,2]=4 195 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [0,0,0,0,0,0|3,0,1]=4 196 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,0,0,0,0,0|3,0,1]=4 197 B9R0.5 CCCC(=O)CSCC#N 1458a_100000150266_100000210303 [0,0,0,0,0,0|3,0,1]=4 198 B9R0.5 CCCC(=O)CSCC#N 62a_100000747444_100011215382 [0,0,0,0,0,0|3,0,1]=4 199 B9R0.5 CCCC(=O)CSCC#N 62a_100011215382_100000747444 [0,0,0,0,0,0|3,0,1]=4 200 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [0,0,0,0,0,0|3,0,0]=3 201 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [0,0,0,0,0,0|3,0,0]=3 202 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [0,0,0,0,0,0|3,0,1]=4 203 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [0,0,0,0,0,0|3,0,1]=4 204 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,0,0,0,0,0|3,0,1]=4 205 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,0,0,0,0,0|3,0,1]=4 206 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [0,0,0,0,0,0|3,0,1]=4 207 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [0,0,0,0,0,0|3,0,1]=4 208 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [0,0,0,0,0,0|3,0,1]=4 209 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [0,0,0,0,0,0|3,0,1]=4 210 B9R0.5 CCCC(=O)NCCC#N 11a_100000720768_100000211992 [0,0,0,0,0,0|3,0,1]=4 211 B9R0.5 CCCC(=O)NCCC#N 1626a_100000720768_100000211992 [0,0,0,0,0,0|3,0,1]=4 212 B9R0.5 CCCC(=O)NCCC#N 240690a_100000720768_100000211992 [0,0,0,0,0,0|3,0,1]=4 213 B9R0.5 CCCC(=O)NCCC#N 527a_100000720768_100000211992 [0,0,0,0,0,0|3,0,1]=4 214 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [0,0,0,0,0,0|3,0,1]=4 215 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [0,0,0,0,0,0|3,0,1]=4 216 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [0,0,0,0,0,0|3,0,1]=4 217 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [0,0,0,0,0,0|3,0,1]=4 218 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [0,0,0,0,0,0|3,0,1]=4 219 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [0,0,0,0,0,0|3,0,1]=4 220 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [0,0,0,0,0,0|3,0,1]=4 221 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [0,0,0,0,0,0|3,0,1]=4 222 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [0,0,0,0,0,0|3,0,1]=4 223 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [0,0,0,0,0,0|3,0,1]=4 224 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [0,0,0,0,0,0|3,0,1]=4 225 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [0,0,0,0,0,0|3,0,1]=4 226 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [0,0,0,0,0,0|3,0,1]=4 227 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,0,0,0,0,0|1,0,2]=3 228 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,0,0,0,0,0|1,0,2]=3 229 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,0,0,0,0,0|2,0,2]=4 230 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,0,0,0,0,0|2,0,2]=4 231 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,0,0,0,0,0|2,0,2]=4 232 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,0,0,0,0,0|2,0,2]=4 233 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,0,0,0,0,0|2,0,2]=4 234 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,0,0,0,0,0|2,0,2]=4 235 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,0,0,0,0,0|2,0,2]=4 236 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,0,0,0,0,0|2,0,2]=4 237 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,0,0,0,0,0|2,0,2]=4 238 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,0,0,0,0,0|2,0,2]=4 239 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,0,0,0,0,0|2,0,2]=4 240 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,0,0,0,0,0|2,0,2]=4 241 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,0,0,0,0,0|2,0,2]=4 242 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,0,0,0,0,0|1,0,2]=3 243 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,0,0,0,0,0|1,0,2]=3 244 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,0,0,0,0,0|1,0,2]=3 245 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [0,0,0,0,0,0|2,0,2]=4 246 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [0,0,0,0,0,0|1,0,3]=4 247 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [0,0,0,0,0,0|1,0,3]=4 248 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [0,0,0,0,0,0|1,0,3]=4 249 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,0,0,0,0,0|2,0,2]=4 250 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,0,0,0,0,0|2,0,2]=4 251 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,0,0,0,0,0|2,0,2]=4 252 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,0,0,0,0,0|2,0,2]=4 253 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,0,0,0,0,0|2,0,2]=4 254 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,0,0,0,0,0|2,0,2]=4 255 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,0,0,0,0,0|2,0,2]=4 256 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,0,0,0,0,0|2,0,2]=4 257 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,0,0,0,0,0|2,0,2]=4 258 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,0,0,0,0,0|2,0,2]=4 259 B9R0.5 CCCN(C)CCCC=O 2230a_100000747261_200011292268 [0,0,0,0,0,0|4,0,0]=4 260 B9R0.5 CCCN(C)CCCC=O 269982a_100000747261_200011292268 [0,0,0,0,0,0|4,0,0]=4 261 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,0,0,0,0,0|2,0,2]=4 262 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,0,0,0,0,0|2,0,2]=4 263 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,0,0,0,0,0|2,0,2]=4 264 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,0,0,0,0,0|2,0,2]=4 265 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,0,0,0,0,0|2,0,2]=4 266 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,0,0,0,0,0|2,0,2]=4 267 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,0,0,0,0,0|1,0,2]=3 268 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,0,0,0,0,0|2,0,2]=4 269 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,0,0,0,0,0|2,0,2]=4 270 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,0,0,0,0,0|2,0,2]=4 271 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,0,0,0,0,0|2,0,2]=4 272 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,0,0,0,0,0|2,0,2]=4 273 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,0,0,0,0,0|2,0,2]=4 274 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,0,0,0,0,0|2,0,2]=4 275 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,0,0,0,0,0|2,0,2]=4 276 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,0,0,0,0,0|1,0,2]=3 277 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,0,0,0,0,0|1,0,2]=3 278 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [0,0,0,0,0,0|2,0,1]=3 279 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [0,0,0,0,0,0|2,0,1]=3 280 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [0,0,0,0,0,0|2,0,1]=3 281 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,0,0,0,0,0|2,0,1]=3 282 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,0,0,0,0,0|2,0,1]=3 283 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,0,0,0,0,0|2,0,1]=3 284 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,0,0,0,0,0|2,0,1]=3 285 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,0,0,0,0,0|2,0,1]=3 286 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,0,0,0,0,0|2,0,1]=3 287 B9R0.5 CCNC(=O)CCN=[N+]=[N-] 11a_100015525214_100000688302 [0,0,0,0,0,0|4,0,0]=4 288 B9R0.5 CCNC(=O)CCN=[N+]=[N-] 240690a_100015525214_100000688302 [0,0,0,0,0,0|4,0,0]=4 289 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [0,0,0,0,0,0|3,0,1]=4 290 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,0,0,0,0,0|2,0,2]=4 291 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,0,0,0,0,0|2,0,2]=4 292 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,0,0,0,0,0|2,0,2]=4 293 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,0,0,0,0,0|2,0,2]=4 294 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,0,0,0,0,0|2,0,2]=4 295 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,0,0,0,0,0|2,0,2]=4 296 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,0,0,0,0,0|2,0,2]=4 297 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,0,0,0,0,0|2,0,2]=4 298 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [0,0,0,0,0,0|3,0,1]=4 299 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [0,0,0,0,0,0|3,0,1]=4 300 B9R0.5 CCNC(=O)CNCC#N 2230a_100016988866_100011215382 [0,0,0,0,0,0|3,0,1]=4 301 B9R0.5 CCNC(=O)CNCC=O 2230a_100016988866_200015260668 [0,0,0,0,0,0|3,0,0]=3 302 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [0,0,0,0,0,0|3,0,1]=4 303 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [0,0,0,0,0,0|3,0,1]=4 304 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [0,0,0,0,0,0|3,0,1]=4 305 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [0,0,0,0,0,0|3,0,1]=4 306 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [0,0,0,0,0,0|3,0,1]=4 307 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [0,0,0,0,0,0|3,0,1]=4 308 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [0,0,0,0,0,0|3,0,1]=4 309 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [0,0,0,0,0,0|3,0,1]=4 310 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [0,0,0,0,0,0|3,0,1]=4 311 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [0,0,0,0,0,0|3,0,1]=4 312 B9R0.5 CCNC(=O)CSCC#N 11a_100015525214_100000150266 [0,0,0,0,0,0|3,0,1]=4 313 B9R0.5 CCNC(=O)CSCC#N 240690a_100015525214_100000150266 [0,0,0,0,0,0|3,0,1]=4 314 B9R0.5 CCNC(=O)CSCC#N 62a_100000183381_100011215382 [0,0,0,0,0,0|3,0,1]=4 315 B9R0.5 CCNC(=O)CSCC#N 62a_100011215382_100000183381 [0,0,0,0,0,0|3,0,1]=4 316 B9R0.5 CCNC(=O)CSCC=O 62a_100000183381_200015260668 [0,0,0,0,0,0|3,0,0]=3 317 B9R0.5 CCNC(=O)CSCC=O 62a_200015260668_100000183381 [0,0,0,0,0,0|3,0,0]=3 318 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [0,0,0,0,0,0|3,0,1]=4 319 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [0,0,0,0,0,0|3,0,1]=4 320 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [0,0,0,0,0,0|3,0,1]=4 321 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [0,0,0,0,0,0|3,0,1]=4 322 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [0,0,0,0,0,0|3,0,1]=4 323 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [0,0,0,0,0,0|3,0,1]=4 324 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [0,0,0,0,0,0|3,0,1]=4 325 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [0,0,0,0,0,0|3,0,1]=4 326 B9R0.5 CCNC(=O)NCCC#N 2708a_100000720768_100015525214 [0,0,0,0,0,0|3,0,1]=4 327 B9R0.5 CCNC(=O)NCCC#N 2708a_100015525214_100000720768 [0,0,0,0,0,0|3,0,1]=4 328 B9R0.5 CCNC(=O)NCCC#N 273464a_100000720768_100015525214 [0,0,0,0,0,0|3,0,1]=4 329 B9R0.5 CCNC(=O)NCCC#N 273464a_100015525214_100000720768 [0,0,0,0,0,0|3,0,1]=4 330 B9R0.5 CCNC(=O)NCCC#N 512a_100000720768_100015525214 [0,0,0,0,0,0|3,0,1]=4 331 B9R0.5 CCNC(=O)NCCC#N 512a_100015525214_100000720768 [0,0,0,0,0,0|3,0,1]=4 332 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [0,0,0,0,0,0|3,0,1]=4 333 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [0,0,0,0,0,0|3,0,1]=4 334 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [0,0,0,0,0,0|3,0,1]=4 335 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [0,0,0,0,0,0|3,0,1]=4 336 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [0,0,0,0,0,0|3,0,1]=4 337 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [0,0,0,0,0,0|3,0,1]=4 338 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [0,0,0,0,0,0|3,0,1]=4 339 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [0,0,0,0,0,0|3,0,1]=4 340 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [0,0,0,0,0,0|3,0,1]=4 341 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [0,0,0,0,0,0|3,0,1]=4 342 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [0,0,0,0,0,0|3,0,1]=4 343 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [0,0,0,0,0,0|3,0,1]=4 344 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [0,0,0,0,0,0|3,0,1]=4 345 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [0,0,0,0,0,0|3,0,1]=4 346 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [0,0,0,0,0,0|3,0,1]=4 347 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [0,0,0,0,0,0|3,0,1]=4 348 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [0,0,0,0,0,0|3,0,1]=4 349 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [0,0,0,0,0,0|3,0,1]=4 350 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [0,0,0,0,0,0|3,0,1]=4 351 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,0,0,0,0,0|2,0,2]=4 352 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,0,0,0,0,0|2,0,2]=4 353 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,0,0,0,0,0|1,0,2]=3 354 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,0,0,0,0,0|1,0,3]=4 355 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,0,0,0,0,0|1,0,3]=4 356 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,0,0,0,0,0|1,0,3]=4 357 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,0,0,0,0,0|1,0,3]=4 358 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,0,0,0,0,0|1,0,3]=4 359 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,0,0,0,0,0|1,0,3]=4 360 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,0,0,0,0,0|1,0,3]=4 361 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,0,0,0,0,0|1,0,3]=4 362 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,0,0,0,0,0|1,0,1]=2 363 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,0,0,0,0,0|1,0,1]=2 364 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,0,0,0,0,0|1,0,1]=2 365 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,0,0,0,0,0|1,0,1]=2 366 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,0,0,0,0,0|1,0,1]=2 367 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,0,0,0,0,0|1,0,1]=2 368 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,0,0,0,0,0|1,0,1]=2 369 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,0,0,0,0,0|1,0,1]=2 370 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,0,0,0,0,0|1,0,1]=2 371 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,0,0,0,0,0|1,0,1]=2 372 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,0,0,0,0,0|1,0,2]=3 373 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,0,0,0,0,0|1,0,2]=3 374 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [0,0,0,0,0,0|2,0,1]=3 375 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [0,0,0,0,0,0|2,0,1]=3 376 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,0,0,0,0,0|2,0,1]=3 377 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,0,0,0,0,0|2,0,1]=3 378 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,0,0,0,0,0|2,0,1]=3 379 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,0,0,0,0,0|2,0,1]=3 380 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,0,0,0,0,0|2,0,1]=3 381 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [0,0,0,0,0,0|2,0,1]=3 382 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [0,0,0,0,0,0|2,0,1]=3 383 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [0,0,0,0,0,0|2,0,0]=2 384 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [0,0,0,0,0,0|2,0,0]=2 385 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,0,0,0,0,0|2,0,1]=3 386 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,0,0,0,0,0|2,0,1]=3 387 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,0,0,0,0,0|2,0,1]=3 388 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,0,0,0,0,0|2,0,1]=3 389 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,0,0,0,0,0|2,0,1]=3 390 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,0,0,0,0,0|2,0,1]=3 391 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [0,0,0,0,0,0|2,0,1]=3 392 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [0,0,0,0,0,0|2,0,1]=3 393 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [0,0,0,0,0,0|2,0,1]=3 394 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,0,0,0,0,0|2,0,1]=3 395 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,0,0,0,0,0|2,0,1]=3 396 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [0,0,0,0,0,0|2,0,1]=3 397 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [0,0,0,0,0,0|2,0,1]=3 398 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,0,0,0,0,0|2,0,2]=4 399 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [0,0,0,0,0,0|3,0,1]=4 400 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [0,0,0,0,0,0|2,0,2]=4 401 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [0,0,0,0,0,0|2,0,2]=4 402 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,0,0,0,0,0|1,0,2]=3 403 B9R0.5 CNNC(=O)CCCC#N 22a_100016993582_100000075515 [0,0,0,0,0,0|3,0,1]=4 404 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [0,0,0,0,0,0|3,0,1]=4 405 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [0,0,0,0,0,0|3,0,1]=4 406 B9R0.5 COCC(=O)CCCC#N 1458a_100000210968_100000211468 [0,0,0,0,0,0|3,0,1]=4 407 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,0,0,0,0,0|3,0,1]=4 408 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,0,0,0,0,0|3,0,1]=4 409 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [0,0,0,0,0,0|3,0,1]=4 410 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,0,0,0,0,0|3,0,1]=4 411 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,0,0,0,0,0|3,0,1]=4 412 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,0,0,0,0,0|3,0,1]=4 413 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [0,0,0,0,0,0|3,0,1]=4 414 B9R0.5 CSCC(=O)CCCC#N 1458a_100000184570_100000211468 [0,0,0,0,0,0|3,0,1]=4 415 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [0,0,0,0,0,0|3,0,1]=4 416 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [0,0,0,0,0,0|3,0,1]=4 417 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [0,0,0,0,0,0|3,0,1]=4 418 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [0,0,0,0,0,0|3,0,1]=4 419 B9R0.5 N#CCCCC(=O)CCF 1458a_100000075515_100011217306 [0,0,0,0,0,0|3,0,1]=4 420 B9R0.5 N#CCCCC(=O)CCO 1458a_100000075515_100000211926 [0,0,0,0,0,0|3,0,1]=4 421 B9R0.5 N#CCCCC(=O)CCO 1458a_100011216618_100000211468 [0,0,0,0,0,0|3,0,1]=4 422 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,0,0,0,0,0|3,0,1]=4 423 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,0,0,0,0,0|3,0,1]=4 424 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,0,0,0,0,0|3,0,1]=4 425 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,0,0,0,0,0|3,0,1]=4 426 B9R0.5 O=CCSCC(=O)NCO 62a_100000185155_200015260668 [0,0,0,0,0,0|4,0,0]=4 427 B9R0.5 O=CCSCC(=O)NCO 62a_200015260668_100000185155 [0,0,0,0,0,0|4,0,0]=4 428 B8R0.1 C#CCC(=O)CCC=C 1458a_100000749702_100000184674 [1,0,0,0,0,0|1,0,2]=4 429 B8R0.1 C#CCC(=O)CCC=C 1458a_100011220946_100000754431 [1,0,0,0,0,0|1,0,2]=4 430 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [1,0,0,0,0,0|1,0,2]=4 431 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [1,0,0,0,0,0|1,0,2]=4 432 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [1,0,0,0,0,0|1,0,2]=4 433 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [1,0,0,0,0,0|1,0,2]=4 434 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [1,0,0,0,0,0|1,0,2]=4 435 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,0,0,0,0,0|1,0,2]=4 436 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [1,0,0,0,0,0|1,0,2]=4 437 B8R0.1 C=CCCC(=O)C#CC 1458a_100000763181_100000754431 [1,0,0,0,0,0|1,0,1]=3 438 B8R0.1 C=CCCC(=O)C=CBr 1458a_100016273825_100000754431 [1,0,0,0,0,0|2,0,1]=4 439 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [1,0,0,0,0,0|1,0,1]=3 440 B8R0.1 C=CCCC(=O)C=CCl 1458a_200016279998_100000754431 [1,0,0,0,0,0|2,0,1]=4 441 B8R0.1 C=CCCC(=O)C=CI 1458a_100016256311_100000754431 [1,0,0,0,0,0|2,0,1]=4 442 B8R0.1 C=CCCC(=O)CC#N 1458a_100000749702_100011214920 [1,0,0,0,0,0|2,0,1]=4 443 B8R0.1 C=CCCC(=O)CC#N 1458a_100051588842_100000754431 [1,0,0,0,0,0|2,0,1]=4 444 B8R0.1 C=CCCC(=O)CC=C 1458a_100000210193_100000754431 [1,0,0,0,0,0|1,0,2]=4 445 B8R0.1 C=CCCC(=O)CC=C 1458a_100000749702_100000210623 [1,0,0,0,0,0|1,0,2]=4 446 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [1,0,0,0,0,0|1,0,0]=2 447 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [1,0,0,0,0,0|1,0,0]=2 448 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [1,0,0,0,0,0|2,0,0]=3 449 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [1,0,0,0,0,0|2,0,0]=3 450 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [1,0,0,0,0,0|2,0,0]=3 451 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [1,0,0,0,0,0|2,0,0]=3 452 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [1,0,0,0,0,0|2,0,0]=3 453 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [1,0,0,0,0,0|1,0,0]=2 454 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [1,0,0,0,0,0|1,0,0]=2 455 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [1,0,0,0,0,0|1,0,0]=2 456 B8R0.1 C=CCCC(=O)NNC 22a_100016993582_100000749702 [1,0,0,0,0,0|2,0,0]=3 457 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [1,0,0,0,0,0|2,0,1]=4 458 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [1,0,0,0,0,0|1,0,1]=3 459 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [1,0,0,0,0,0|1,0,1]=3 460 B8R0.1 C=CCCC(C)OCF 34a_100000765329_100015361967 [1,0,0,0,0,0|2,0,1]=4 461 B8R0.1 C=CCCC(C)OCF 7a_100000765329_100015361967 [1,0,0,0,0,0|2,0,1]=4 462 B8R0.1 C=CCCN(C)CCC 2230a_100000747261_100000754431 [1,0,0,0,0,0|3,0,0]=4 463 B8R0.1 C=CCCN(C)CCC 2230a_100020639649_100000210303 [1,0,0,0,0,0|3,0,0]=4 464 B8R0.1 C=CCCN(C)CCC 269982a_100000747261_100000754431 [1,0,0,0,0,0|3,0,0]=4 465 B8R0.1 C=CCCN(C)CCC 269982a_100020639649_100000210303 [1,0,0,0,0,0|3,0,0]=4 466 B8R0.1 C=CCNC(=O)C=CC 1626a_100020586998_100000210699 [1,0,0,0,0,0|2,0,1]=4 467 B8R0.1 C=CCNC(=O)C=CC 240690a_100020586998_100000210699 [1,0,0,0,0,0|2,0,1]=4 468 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [1,0,0,0,0,0|2,0,0]=3 469 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [1,0,0,0,0,0|2,0,0]=3 470 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [1,0,0,0,0,0|2,0,0]=3 471 B8R0.1 C=CCNC(=O)CCO 240690a_100020586998_100011216618 [1,0,0,0,0,0|3,0,0]=4 472 B8R0.1 C=CCNC(=O)CNC 2230a_106832991635_100000183597 [1,0,0,0,0,0|3,0,0]=4 473 B8R0.1 C=CCNC(=O)CNC 7a_106832991635_100000183597 [1,0,0,0,0,0|3,0,0]=4 474 B8R0.1 C=CCNC(=O)COC 1626a_100020586998_100000210968 [1,0,0,0,0,0|3,0,0]=4 475 B8R0.1 C=CCNC(=O)COC 240690a_100020586998_100000210968 [1,0,0,0,0,0|3,0,0]=4 476 B8R0.1 C=CCNC(=O)COC 527a_100020586998_100000210968 [1,0,0,0,0,0|3,0,0]=4 477 B8R0.1 C=CCNC(=O)CSC 1626a_100020586998_100000184570 [1,0,0,0,0,0|3,0,0]=4 478 B8R0.1 C=CCNC(=O)CSC 240690a_100020586998_100000184570 [1,0,0,0,0,0|3,0,0]=4 479 B8R0.1 C=CCNC(=O)CSC 527a_100020586998_100000184570 [1,0,0,0,0,0|3,0,0]=4 480 B8R0.1 C=CCNC(=O)CSC 62a_100000183597_200000210301 [1,0,0,0,0,0|3,0,0]=4 481 B8R0.1 C=CCNC(=O)CSC 62a_200000210301_100000183597 [1,0,0,0,0,0|3,0,0]=4 482 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_100000183597_200025704644 [1,0,0,0,0,0|3,0,0]=4 483 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_200025704644_100000183597 [1,0,0,0,0,0|3,0,0]=4 484 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [1,0,0,0,0,0|2,0,0]=3 485 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [1,0,0,0,0,0|2,0,0]=3 486 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [1,0,0,0,0,0|2,0,0]=3 487 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [1,0,0,0,0,0|2,0,0]=3 488 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [1,0,0,0,0,0|2,0,0]=3 489 B8R0.1 C=CCNC(=O)NNC 273464a_100020586998_100016993582 [1,0,0,0,0,0|3,0,0]=4 490 B8R0.1 C=CCNC(=O)NNC 512a_100016993582_100020586998 [1,0,0,0,0,0|3,0,0]=4 491 B8R0.1 C=CCNC(=O)NNC 512a_100020586998_100016993582 [1,0,0,0,0,0|3,0,0]=4 492 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [1,0,0,0,0,0|3,0,0]=4 493 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [1,0,0,0,0,0|3,0,0]=4 494 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [1,0,0,0,0,0|3,0,0]=4 495 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [1,0,0,0,0,0|3,0,0]=4 496 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [1,0,0,0,0,0|3,0,0]=4 497 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [1,0,0,0,0,0|3,0,0]=4 498 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [1,0,0,0,0,0|3,0,0]=4 499 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [1,0,0,0,0,0|3,0,0]=4 500 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [1,0,0,0,0,0|1,0,2]=4 501 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [1,0,0,0,0,0|2,0,1]=4 502 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [1,0,0,0,0,0|2,0,1]=4 503 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,0,0,0,0,0|1,0,2]=4 504 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [1,0,0,0,0,0|2,0,1]=4 505 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [1,0,0,0,0,0|2,0,1]=4 506 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,0,0,0,0,0|1,0,2]=4 507 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,0,0,0,0,0|1,0,2]=4 508 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [1,0,0,0,0,0|1,0,2]=4 509 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [1,0,0,0,0,0|1,0,2]=4 510 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [1,0,0,0,0,0|1,0,2]=4 511 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [1,0,0,0,0,0|2,0,1]=4 512 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [1,0,0,0,0,0|2,0,1]=4 513 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [1,0,0,0,0,0|2,0,0]=3 514 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,0,0,0,0,0|2,0,0]=3 515 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,0,0,0,0,0|2,0,1]=4 516 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,0,0,0,0,0|2,0,1]=4 517 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [1,0,0,0,0,0|2,0,1]=4 518 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [1,0,0,0,0,0|2,0,1]=4 519 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [1,0,0,0,0,0|2,0,1]=4 520 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [1,0,0,0,0,0|2,0,1]=4 521 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [1,0,0,0,0,0|2,0,1]=4 522 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [1,0,0,0,0,0|2,0,1]=4 523 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [1,0,0,0,0,0|2,0,1]=4 524 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [1,0,0,0,0,0|3,0,0]=4 525 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [1,0,0,0,0,0|3,0,0]=4 526 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [1,0,0,0,0,0|3,0,0]=4 527 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [1,0,0,0,0,0|3,0,0]=4 528 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [1,0,0,0,0,0|3,0,0]=4 529 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [1,0,0,0,0,0|3,0,0]=4 530 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [1,0,0,0,0,0|3,0,0]=4 531 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [1,0,0,0,0,0|3,0,0]=4 532 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,0,0,0,0,0|1,0,1]=3 533 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,0,0,0,0,0|1,0,1]=3 534 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [1,0,0,0,0,0|2,0,1]=4 535 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,0,0,0,0,0|2,0,1]=4 536 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,0,0,0,0,0|2,0,1]=4 537 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,0,0,0,0,0|2,0,1]=4 538 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [1,0,0,0,0,0|2,0,1]=4 539 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,0,0,0,0,0|1,0,1]=3 540 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,0,0,0,0,0|1,0,1]=3 541 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,0,0,0,0,0|1,0,1]=3 542 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [1,0,0,0,0,0|2,0,1]=4 543 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,0,0,0,0,0|1,0,2]=4 544 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,0,0,0,0,0|1,0,2]=4 545 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,0,0,0,0,0|1,0,2]=4 546 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [1,0,0,0,0,0|2,0,1]=4 547 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [1,0,0,0,0,0|2,0,1]=4 548 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [1,0,0,0,0,0|2,0,1]=4 549 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [1,0,0,0,0,0|2,0,1]=4 550 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [1,0,0,0,0,0|2,0,1]=4 551 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [1,0,0,0,0,0|2,0,1]=4 552 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [1,0,0,0,0,0|2,0,1]=4 553 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [1,0,0,0,0,0|2,0,1]=4 554 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [1,0,0,0,0,0|2,0,1]=4 555 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [1,0,0,0,0,0|2,0,1]=4 556 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [1,0,0,0,0,0|2,0,1]=4 557 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [1,0,0,0,0,0|2,0,1]=4 558 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [1,0,0,0,0,0|2,0,1]=4 559 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [1,0,0,0,0,0|2,0,1]=4 560 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [1,0,0,0,0,0|2,0,1]=4 561 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [1,0,0,0,0,0|2,0,1]=4 562 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [1,0,0,0,0,0|2,0,1]=4 563 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [1,0,0,0,0,0|2,0,1]=4 564 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [1,0,0,0,0,0|2,0,1]=4 565 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [1,0,0,0,0,0|2,0,1]=4 566 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [1,0,0,0,0,0|2,0,1]=4 567 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [1,0,0,0,0,0|2,0,1]=4 568 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [1,0,0,0,0,0|2,0,1]=4 569 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [1,0,0,0,0,0|2,0,1]=4 570 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [1,0,0,0,0,0|2,0,1]=4 571 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [1,0,0,0,0,0|2,0,1]=4 572 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [1,0,0,0,0,0|2,0,1]=4 573 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [1,0,0,0,0,0|2,0,1]=4 574 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [1,0,0,0,0,0|2,0,1]=4 575 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [1,0,0,0,0,0|2,0,1]=4 576 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [1,0,0,0,0,0|2,0,1]=4 577 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [1,0,0,0,0,0|2,0,1]=4 578 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [1,0,0,0,0,0|2,0,1]=4 579 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [1,0,0,0,0,0|2,0,1]=4 580 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [1,0,0,0,0,0|2,0,1]=4 581 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [1,0,0,0,0,0|2,0,1]=4 582 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [1,0,0,0,0,0|3,0,0]=4 583 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [1,0,0,0,0,0|3,0,0]=4 584 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [1,0,0,0,0,0|3,0,0]=4 585 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [1,0,0,0,0,0|3,0,0]=4 586 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [1,0,0,0,0,0|3,0,0]=4 587 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [1,0,0,0,0,0|3,0,0]=4 588 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [1,0,0,0,0,0|3,0,0]=4 589 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [1,0,0,0,0,0|3,0,0]=4 590 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [1,0,0,0,0,0|3,0,0]=4 591 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [1,0,0,0,0,0|3,0,0]=4 592 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [1,0,0,0,0,0|2,0,1]=4 593 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [1,0,0,0,0,0|2,0,1]=4 594 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [1,0,0,0,0,0|1,0,1]=3 595 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [1,0,0,0,0,0|1,0,1]=3 596 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [1,0,0,0,0,0|1,0,1]=3 597 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [1,0,0,0,0,0|1,0,1]=3 598 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [1,0,0,0,0,0|1,0,1]=3 599 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [1,0,0,0,0,0|1,0,1]=3 600 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [1,0,0,0,0,0|1,0,1]=3 601 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [1,0,0,0,0,0|1,0,1]=3 602 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [1,0,0,0,0,0|1,0,1]=3 603 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [1,0,0,0,0,0|1,0,1]=3 604 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [1,0,0,0,0,0|1,0,1]=3 605 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [1,0,0,0,0,0|2,0,0]=3 606 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [1,0,0,0,0,0|2,0,0]=3 607 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [1,0,0,0,0,0|2,0,1]=4 608 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [1,0,0,0,0,0|2,0,1]=4 609 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [1,0,0,0,0,0|2,0,1]=4 610 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [1,0,0,0,0,0|2,0,1]=4 611 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [1,0,0,0,0,0|1,0,1]=3 612 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [1,0,0,0,0,0|3,0,0]=4 613 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [1,0,0,0,0,0|3,0,0]=4 614 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [1,0,0,0,0,0|3,0,0]=4 615 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [1,0,0,0,0,0|3,0,0]=4 616 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [1,0,0,0,0,0|3,0,0]=4 617 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [1,0,0,0,0,0|3,0,0]=4 618 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [1,0,0,0,0,0|0,0,3]=4 619 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [1,0,0,0,0,0|0,0,3]=4 620 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [1,0,0,0,0,0|0,0,3]=4 621 B8R0.4 C=CCCC=NNCC 4a_100000756455_100011216789 [1,0,0,0,0,0|2,0,1]=4 622 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [1,0,0,0,0,0|2,0,1]=4 623 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [1,0,0,0,0,0|2,0,1]=4 624 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [1,0,0,0,0,0|2,0,1]=4 625 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [1,0,0,0,0,0|2,0,1]=4 626 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [1,0,0,0,0,0|2,0,1]=4 627 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [1,0,0,0,0,0|2,0,1]=4 628 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [1,0,0,0,0,0|2,0,1]=4 629 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [1,0,0,0,0,0|2,0,1]=4 630 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [1,0,0,0,0,0|2,0,1]=4 631 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [1,0,0,0,0,0|2,0,1]=4 632 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [1,0,0,0,0,0|2,0,1]=4 633 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [1,0,0,0,0,0|2,0,1]=4 634 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,0,0,0,0,0|1,0,1]=3 635 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,0,0,0,0,0|1,0,1]=3 636 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,0,0,0,0,0|1,0,1]=3 637 B8R0.4 C=CCCCCNCF 34a_100000703577_100015361967 [1,0,0,0,0,0|2,0,1]=4 638 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,0,0,0,0,0|0,0,1]=2 639 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,0,0,0,0,0|0,0,1]=2 640 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,0,0,0,0,0|0,0,1]=2 641 B8R0.4 C=CCCCCOCF 34a_100000766645_100015361967 [1,0,0,0,0,0|1,0,1]=3 642 B8R0.4 C=CCCCCOCF 7a_100000766645_100015361967 [1,0,0,0,0,0|1,0,1]=3 643 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,0,0,0,0,0|0,1,1]=3 644 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,0,0,0,0,0|0,1,1]=3 645 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [1,0,0,0,0,0|1,1,1]=4 646 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [1,0,0,0,0,0|1,1,1]=4 647 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [1,0,0,0,0,0|2,0,0]=3 648 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [1,0,0,0,0,0|2,0,0]=3 649 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [1,0,0,0,0,0|3,0,0]=4 650 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [1,0,0,0,0,0|3,0,0]=4 651 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [1,0,0,0,0,0|3,0,0]=4 652 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [1,0,0,0,0,0|3,0,0]=4 653 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [1,0,0,0,0,0|3,0,0]=4 654 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [1,0,0,0,0,0|3,0,0]=4 655 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [1,0,0,0,0,0|3,0,0]=4 656 B8R0.4 C=CCCCNCOC 2230a_100000700776_100000766300 [1,0,0,0,0,0|3,0,0]=4 657 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [1,0,0,0,0,0|3,0,0]=4 658 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [1,0,0,0,0,0|3,0,0]=4 659 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [1,0,0,0,0,0|3,0,0]=4 660 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,0,0,0,0,0|2,0,0]=3 661 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,0,0,0,0,0|2,0,0]=3 662 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,0,0,0,0,0|2,0,0]=3 663 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [1,0,0,0,0,0|3,0,0]=4 664 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [1,0,0,0,0,0|3,0,0]=4 665 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [1,0,0,0,0,0|3,0,0]=4 666 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [1,0,0,0,0,0|3,0,0]=4 667 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [1,0,0,0,0,0|3,0,0]=4 668 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [1,0,0,0,0,0|3,0,0]=4 669 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [1,0,0,0,0,0|2,0,0]=3 670 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [1,0,0,0,0,0|2,0,0]=3 671 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [1,0,0,0,0,0|3,0,0]=4 672 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [1,0,0,0,0,0|3,0,0]=4 673 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [1,0,0,0,0,0|3,0,0]=4 674 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [1,0,0,0,0,0|3,0,0]=4 675 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [1,0,0,0,0,0|3,0,0]=4 676 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [1,0,0,0,0,0|3,0,0]=4 677 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [1,0,0,0,0,0|3,0,0]=4 678 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [1,0,0,0,0,0|3,0,0]=4 679 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [1,0,0,0,0,0|2,0,1]=4 680 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [1,0,0,0,0,0|2,0,1]=4 681 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [1,0,0,0,0,0|2,0,1]=4 682 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [1,0,0,0,0,0|2,0,1]=4 683 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [1,0,0,0,0,0|2,0,1]=4 684 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [1,0,0,0,0,0|2,0,1]=4 685 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [1,0,0,0,0,0|2,0,1]=4 686 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [1,0,0,0,0,0|2,0,1]=4 687 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [1,0,0,0,0,0|1,0,1]=3 688 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [1,0,0,0,0,0|1,0,1]=3 689 B8R0.4 C=CCNC/C=C\CC 2230a_100020586998_100103147603 [1,0,0,0,0,0|2,0,0]=3 690 B8R0.4 C=CCNCC#CCC 2230a_100020586998_100009813939 [1,0,0,0,0,0|2,0,1]=4 691 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,0,0,0,0,0|2,0,1]=4 692 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,0,0,0,0,0|2,0,1]=4 693 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [1,0,0,0,0,0|1,0,1]=3 694 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [1,0,0,0,0,0|1,0,1]=3 695 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [1,0,0,0,0,0|1,0,1]=3 696 B8R0.4 C=CCNCCSCC 2230a_100000106463_100000210623 [1,0,0,0,0,0|1,1,1]=4 697 B8R0.4 C=CCNCCSCC 2230a_100020586998_100000757381 [1,0,0,0,0,0|1,1,1]=4 698 B8R0.4 C=CCOC/C=C\CC 34a_100016268518_100015514636 [1,0,0,0,0,0|2,0,0]=3 699 B8R0.4 C=CCOC/C=C\CC 34a_200000210373_100103147603 [1,0,0,0,0,0|2,0,0]=3 700 B8R0.4 C=CCOCC#CCC 34a_100000032950_100015514636 [1,0,0,0,0,0|2,0,1]=4 701 B8R0.4 C=CCOCC#CCC 34a_200000210373_100009813939 [1,0,0,0,0,0|2,0,1]=4 702 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,0,0,0,0,0|2,0,1]=4 703 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,0,0,0,0,0|2,0,1]=4 704 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,0,0,0,0,0|2,0,1]=4 705 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [1,0,0,0,0,0|1,0,1]=3 706 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [1,0,0,0,0,0|1,0,1]=3 707 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [1,0,0,0,0,0|1,0,1]=3 708 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [1,0,0,0,0,0|1,0,1]=3 709 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [1,0,0,0,0,0|1,0,1]=3 710 B8R0.4 C=CCOCCOCF 34a_100000037705_100015361967 [1,0,0,0,0,0|2,0,1]=4 711 B8R0.4 C=CCOCCOCF 7a_100000037705_100015361967 [1,0,0,0,0,0|2,0,1]=4 712 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [1,0,0,0,0,0|1,1,1]=4 713 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [1,0,0,0,0,0|1,1,1]=4 714 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [1,0,0,0,0,0|1,1,1]=4 715 B8R0.4 C=CCSC/C=C\CC 62a_100000210623_100103147603 [1,0,0,0,0,0|2,0,0]=3 716 B8R0.4 C=CCSC/C=C\CC 62a_100103147603_100000210623 [1,0,0,0,0,0|2,0,0]=3 717 B8R0.4 C=CCSCC#CCC 62a_100000210623_100009813939 [1,0,0,0,0,0|2,0,1]=4 718 B8R0.4 C=CCSCC#CCC 62a_100009813939_100000210623 [1,0,0,0,0,0|2,0,1]=4 719 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,0,0,0,0,0|2,0,1]=4 720 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,0,0,0,0,0|2,0,1]=4 721 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [1,0,0,0,0,0|1,0,1]=3 722 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [1,0,0,0,0,0|1,0,1]=3 723 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [1,0,0,0,0,0|1,1,1]=4 724 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [1,0,0,0,0,0|1,1,1]=4 725 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [1,0,0,0,0,0|2,0,1]=4 726 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [1,0,0,0,0,0|2,0,1]=4 727 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [1,0,0,0,0,0|3,0,0]=4 728 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [1,0,0,0,0,0|3,0,0]=4 729 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [1,0,0,0,0,0|3,0,0]=4 730 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [1,0,0,0,0,0|3,0,0]=4 731 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,0,0,0,0,0|2,0,1]=4 732 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,0,0,0,0,0|2,0,1]=4 733 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,0,0,0,0,0|2,0,1]=4 734 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,0,0,0,0,0|2,0,1]=4 735 B8R0.4 CC/C=C\COCC=O 34a_100016268518_200009817547 [1,0,0,0,0,0|3,0,0]=4 736 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [1,0,0,0,0,0|3,0,0]=4 737 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [1,0,0,0,0,0|3,0,0]=4 738 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,0,0,0,0,0|0,0,3]=4 739 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,0,0,0,0,0|0,0,3]=4 740 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,0,0,0,0,0|0,0,3]=4 741 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,0,0,0,0,0|0,0,3]=4 742 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,0,0,0,0,0|3,0,0]=4 743 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,0,0,0,0,0|3,0,0]=4 744 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,0,0,0,0,0|2,0,1]=4 745 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,0,0,0,0,0|1,0,2]=4 746 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,0,0,0,0,0|1,0,2]=4 747 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,0,0,0,0,0|1,0,2]=4 748 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,0,0,0,0,0|1,0,2]=4 749 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,0,0,0,0,0|1,0,2]=4 750 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,0,0,0,0,0|1,0,2]=4 751 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,0,0,0,0,0|1,0,2]=4 752 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,0,0,0,0,0|1,0,2]=4 753 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,0,0,0,0,0|1,0,2]=4 754 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,0,0,0,0,0|1,0,2]=4 755 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,0,0,0,0,0|1,0,2]=4 756 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,0,0,0,0,0|1,0,2]=4 757 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,0,0,0,0,0|1,0,2]=4 758 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [1,0,0,0,0,0|2,0,1]=4 759 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [1,0,0,0,0,0|2,0,1]=4 760 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [1,0,0,0,0,0|2,0,1]=4 761 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [1,0,0,0,0,0|2,0,1]=4 762 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [1,0,0,0,0,0|2,0,1]=4 763 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [1,0,0,0,0,0|2,0,1]=4 764 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,0,0,0,0,0|1,1,1]=4 765 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,0,0,0,0,0|1,1,1]=4 766 B8R0.6 C#CC(=O)CCCC=C 1458a_100000211873_100000757094 [1,0,0,0,0,0|0,0,2]=3 767 B8R0.6 C#CC(=O)CCOC=C 1458a_100000211873_100000039644 [1,0,0,0,0,0|1,0,2]=4 768 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [1,0,0,0,0,0|0,0,2]=3 769 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [1,0,0,0,0,0|0,0,2]=3 770 B8R0.6 C#CCCCC(=O)CF 1458a_100000690238_100015361967 [1,0,0,0,0,0|1,0,2]=4 771 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [1,0,0,0,0,0|1,0,2]=4 772 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [1,0,0,0,0,0|1,0,2]=4 773 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [1,0,0,0,0,0|1,0,2]=4 774 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [1,0,0,0,0,0|1,0,2]=4 775 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [1,0,0,0,0,0|1,0,2]=4 776 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [1,0,0,0,0,0|1,0,2]=4 777 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [1,0,0,0,0,0|1,0,2]=4 778 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [1,0,0,0,0,0|1,0,2]=4 779 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [1,0,0,0,0,0|1,0,2]=4 780 B8R0.6 C#CCNCC(=O)OC 34a_100000212058_100000747449 [1,0,0,0,0,0|1,0,2]=4 781 B8R0.6 C#CCOCC(=O)CC 1458a_100011251226_100000210202 [1,0,0,0,0,0|1,0,2]=4 782 B8R0.6 C#CCOCC(=O)CC 34a_100000725409_100000184674 [1,0,0,0,0,0|1,0,2]=4 783 B8R0.6 C#CCOCC(=O)OC 34a_100000210247_100000747449 [1,0,0,0,0,0|1,0,2]=4 784 B8R0.6 C#CCSCC(=O)CC 62a_100000038162_100000747405 [1,0,0,0,0,0|1,0,2]=4 785 B8R0.6 C#CCSCC(=O)OC 62a_100000038162_100000747449 [1,0,0,0,0,0|1,0,2]=4 786 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [1,0,0,0,0,0|0,0,2]=3 787 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [1,0,0,0,0,0|0,0,0]=1 788 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [1,0,0,0,0,0|0,0,0]=1 789 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [1,0,0,0,0,0|1,0,0]=2 790 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [1,0,0,0,0,0|1,0,0]=2 791 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [1,0,0,0,0,0|1,0,0]=2 792 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [1,0,0,0,0,0|1,0,0]=2 793 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [1,0,0,0,0,0|1,0,0]=2 794 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [1,0,0,0,0,0|1,0,0]=2 795 B8R0.6 C=CCCCN(C)CC 2230a_100000225621_100011713584 [1,0,0,0,0,0|2,0,0]=3 796 B8R0.6 C=CCCCN(C)CC 269982a_100000225621_100000757094 [1,0,0,0,0,0|2,0,0]=3 797 B8R0.6 C=CCCNC(=O)C=C 1626a_100015191253_100000185746 [1,0,0,0,0,0|1,0,2]=4 798 B8R0.6 C=CCCNC(=O)C=C 240690a_100015191253_200121576911 [1,0,0,0,0,0|1,0,2]=4 799 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [1,0,0,0,0,0|1,0,0]=2 800 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [1,0,0,0,0,0|1,0,0]=2 801 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [1,0,0,0,0,0|1,0,0]=2 802 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [1,0,0,0,0,0|1,0,0]=2 803 B8R0.6 C=CCCNC(=O)CO 240690a_100015191253_100000210174 [1,0,0,0,0,0|2,0,0]=3 804 B8R0.6 C=CCCNC(=O)CO 527a_100015191253_100000210174 [1,0,0,0,0,0|2,0,0]=3 805 B8R0.6 C=CCCNC(=O)NC 2708a_100015191253_106832991635 [1,0,0,0,0,0|2,0,0]=3 806 B8R0.6 C=CCCNC(=O)NC 2708a_100102657272_100015191253 [1,0,0,0,0,0|2,0,0]=3 807 B8R0.6 C=CCCNC(=O)NC 273464a_100015191253_100102657272 [1,0,0,0,0,0|2,0,0]=3 808 B8R0.6 C=CCCNC(=O)NC 273464a_100102657272_100015191253 [1,0,0,0,0,0|2,0,0]=3 809 B8R0.6 C=CCCNC(=O)NC 512a_100015191253_100102657272 [1,0,0,0,0,0|2,0,0]=3 810 B8R0.6 C=CCCNC(=O)NC 512a_106832991638_100015191253 [1,0,0,0,0,0|2,0,0]=3 811 B8R0.6 C=CCCNC(C)CC 2230a_100000209981_100000754431 [1,0,0,0,0,0|2,0,1]=4 812 B8R0.6 C=CCCNC(C)CC 2230a_100015191253_100000758301 [1,0,0,0,0,0|2,0,1]=4 813 B8R0.6 C=CCCOC(C)CC 34a_100011205117_100011215416 [1,0,0,0,0,0|2,0,1]=4 814 B8R0.6 C=CCCOC(C)CC 7a_100000210228_100000754431 [1,0,0,0,0,0|2,0,1]=4 815 B8R0.6 C=CCCSC(C)CC 62a_100000754431_100000758301 [1,0,0,0,0,0|2,0,1]=4 816 B8R0.6 C=CCCSC(C)CC 62a_100000758301_100000754431 [1,0,0,0,0,0|2,0,1]=4 817 B8R0.6 C=CCCSC(C)OC 62a_100000754431_100009879195 [1,0,0,0,0,0|2,0,1]=4 818 B8R0.6 C=CCCSC(C)OC 62a_100009879195_100000754431 [1,0,0,0,0,0|2,0,1]=4 819 B8R0.6 C=CCNCC(=O)NC 2230a_100000693194_100000210623 [1,0,0,0,0,0|2,0,0]=3 820 B8R0.6 C=CCNCC(=O)NC 2230a_100020586998_100000183359 [1,0,0,0,0,0|2,0,0]=3 821 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [1,0,0,0,0,0|1,0,0]=2 822 B8R0.6 C=CCNCC(C)CC 2230a_100020586998_100000748023 [1,0,0,0,0,0|2,0,1]=4 823 B8R0.6 C=CCNCC(C)CC 2230a_100020588543_100000210623 [1,0,0,0,0,0|2,0,1]=4 824 B8R0.6 C=CCNCC(C)CC 270004a_100020586998_100000243153 [1,0,0,0,0,0|2,0,1]=4 825 B8R0.6 C=CCNCC(O)CC 2230a_100011218483_100000210623 [1,0,0,0,0,0|1,0,2]=4 826 B8R0.6 C=CCNCC(O)CC 2230a_100020586998_100011218378 [1,0,0,0,0,0|1,0,2]=4 827 B8R0.6 C=CCNC[C@@H](C)CC 2230a_100020586998_100009816398 [1,0,0,0,0,0|2,0,1]=4 828 B8R0.6 C=CCNC[C@@H](C)OC 2230a_100020591295_100000210623 [1,0,0,0,0,0|2,0,1]=4 829 B8R0.6 C=CCNNC(=O)CC 22a_100020588587_100000210414 [1,0,0,0,0,0|2,0,0]=3 830 B8R0.6 C=CCNNC(=O)CO 22a_100020588587_100000210174 [1,0,0,0,0,0|3,0,0]=4 831 B8R0.6 C=CCNNC(=O)NC 273464a_100102657272_100020588587 [1,0,0,0,0,0|3,0,0]=4 832 B8R0.6 C=CCNNC(=O)NC 512a_100020588587_100102657272 [1,0,0,0,0,0|3,0,0]=4 833 B8R0.6 C=CCNNC(=O)NC 512a_106832991638_100020588587 [1,0,0,0,0,0|3,0,0]=4 834 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [1,0,0,0,0,0|1,0,0]=2 835 B8R0.6 C=CCOCC(=O)NC 34a_100000750040_100015514636 [1,0,0,0,0,0|2,0,0]=3 836 B8R0.6 C=CCOCC(=O)NC 34a_200000210373_100000183359 [1,0,0,0,0,0|2,0,0]=3 837 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [1,0,0,0,0,0|1,0,0]=2 838 B8R0.6 C=CCOCC(C)CC 34a_200000210373_100000748023 [1,0,0,0,0,0|2,0,1]=4 839 B8R0.6 C=CCOCC(C)OC 34a_100000690652_100015514636 [1,0,0,0,0,0|2,0,1]=4 840 B8R0.6 C=CCOCC(O)CC 34a_200000210373_100011218378 [1,0,0,0,0,0|1,0,2]=4 841 B8R0.6 C=CCOC[C@@H](C)CC 34a_200000210373_100009816398 [1,0,0,0,0,0|2,0,1]=4 842 B8R0.6 C=CCOC[C@@H](C)CC 7a_100009816381_100015514636 [1,0,0,0,0,0|2,0,1]=4 843 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [1,0,0,0,0,0|1,0,0]=2 844 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [1,0,0,0,0,0|1,0,0]=2 845 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [1,0,0,0,0,0|1,0,0]=2 846 B8R0.6 C=CCSCC(=O)CF 1458a_100000230395_100015361967 [1,0,0,0,0,0|2,0,0]=3 847 B8R0.6 C=CCSCC(=O)NC 11a_106832991635_100000230395 [1,0,0,0,0,0|2,0,0]=3 848 B8R0.6 C=CCSCC(=O)NC 1626a_100102657272_100000230395 [1,0,0,0,0,0|2,0,0]=3 849 B8R0.6 C=CCSCC(=O)NC 240690a_100102657272_100000230395 [1,0,0,0,0,0|2,0,0]=3 850 B8R0.6 C=CCSCC(=O)NC 527a_100102657272_100000230395 [1,0,0,0,0,0|2,0,0]=3 851 B8R0.6 C=CCSCC(=O)NC 62a_100000183359_100000210623 [1,0,0,0,0,0|2,0,0]=3 852 B8R0.6 C=CCSCC(=O)NC 62a_100000210623_100000183359 [1,0,0,0,0,0|2,0,0]=3 853 B8R0.6 C=CCSCC(=O)OC 62a_100000210623_100000747449 [1,0,0,0,0,0|1,0,0]=2 854 B8R0.6 C=CCSCC(=O)OC 62a_100000747449_100000210623 [1,0,0,0,0,0|1,0,0]=2 855 B8R0.6 C=CCSCC(C)CC 62a_100000210623_100000748023 [1,0,0,0,0,0|2,0,1]=4 856 B8R0.6 C=CCSCC(C)CC 62a_100000748023_100000210623 [1,0,0,0,0,0|2,0,1]=4 857 B8R0.6 C=CCSCC(O)CC 62a_100000210623_100011218378 [1,0,0,0,0,0|1,0,2]=4 858 B8R0.6 C=CCSCC(O)CC 62a_100011218378_100000210623 [1,0,0,0,0,0|1,0,2]=4 859 B8R0.6 C=CCSC[C@@H](C)CC 62a_100000210623_100009816398 [1,0,0,0,0,0|2,0,1]=4 860 B8R0.6 C=CCSC[C@@H](C)CC 62a_100009816398_100000210623 [1,0,0,0,0,0|2,0,1]=4 861 B8R0.6 C=COCCC(=O)C=C 1458a_100000185746_100000039644 [1,0,0,0,0,0|1,0,2]=4 862 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [1,0,0,0,0,0|1,0,0]=2 863 B8R0.6 C=COCCC(=O)CO 1458a_100000210174_100000039644 [1,0,0,0,0,0|2,0,0]=3 864 B8R0.6 C=COCCN(C)CC 2230a_100000225621_100000039644 [1,0,0,0,0,0|3,0,0]=4 865 B8R0.6 C=COCCN(C)CC 269982a_100000225621_100000039644 [1,0,0,0,0,0|3,0,0]=4 866 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [1,0,0,0,0,0|1,0,1]=3 867 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [1,0,0,0,0,0|1,0,1]=3 868 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [1,0,0,0,0,0|1,0,1]=3 869 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,0,0,0,0,0|1,0,1]=3 870 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,0,0,0,0,0|1,0,1]=3 871 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,0,0,0,0,0|1,0,1]=3 872 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,0,0,0,0,0|1,0,1]=3 873 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,0,0,0,0,0|1,0,1]=3 874 B8R0.6 CCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210202 [1,0,0,0,0,0|3,0,0]=4 875 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [1,0,0,0,0,0|2,0,0]=3 876 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [1,0,0,0,0,0|2,0,1]=4 877 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [1,0,0,0,0,0|2,0,1]=4 878 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [1,0,0,0,0,0|2,0,1]=4 879 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [1,0,0,0,0,0|2,0,1]=4 880 B8R0.6 CCC(=O)CSCC#N 1458a_100000150266_100000210202 [1,0,0,0,0,0|2,0,1]=4 881 B8R0.6 CCC(=O)CSCC#N 62a_100000747405_100011215382 [1,0,0,0,0,0|2,0,1]=4 882 B8R0.6 CCC(=O)CSCC#N 62a_100011215382_100000747405 [1,0,0,0,0,0|2,0,1]=4 883 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [1,0,0,0,0,0|2,0,0]=3 884 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [1,0,0,0,0,0|2,0,0]=3 885 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [1,0,0,0,0,0|2,0,1]=4 886 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [1,0,0,0,0,0|2,0,1]=4 887 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [1,0,0,0,0,0|2,0,1]=4 888 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [1,0,0,0,0,0|2,0,1]=4 889 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [1,0,0,0,0,0|2,0,1]=4 890 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [1,0,0,0,0,0|2,0,1]=4 891 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [1,0,0,0,0,0|2,0,1]=4 892 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [1,0,0,0,0,0|2,0,1]=4 893 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [1,0,0,0,0,0|2,0,1]=4 894 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [1,0,0,0,0,0|2,0,1]=4 895 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [1,0,0,0,0,0|2,0,1]=4 896 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [1,0,0,0,0,0|2,0,1]=4 897 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [1,0,0,0,0,0|2,0,1]=4 898 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [1,0,0,0,0,0|2,0,1]=4 899 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [1,0,0,0,0,0|2,0,1]=4 900 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [1,0,0,0,0,0|2,0,1]=4 901 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [1,0,0,0,0,0|2,0,1]=4 902 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [1,0,0,0,0,0|2,0,1]=4 903 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [1,0,0,0,0,0|2,0,1]=4 904 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [1,0,0,0,0,0|2,0,1]=4 905 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [1,0,0,0,0,0|2,0,1]=4 906 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [1,0,0,0,0,0|2,0,1]=4 907 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [1,0,0,0,0,0|2,0,1]=4 908 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [1,0,0,0,0,0|2,0,1]=4 909 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [1,0,0,0,0,0|2,0,1]=4 910 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [1,0,0,0,0,0|2,0,1]=4 911 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [1,0,0,0,0,0|2,0,1]=4 912 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [1,0,0,0,0,0|2,0,1]=4 913 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [1,0,0,0,0,0|2,0,1]=4 914 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [1,0,0,0,0,0|2,0,1]=4 915 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [1,0,0,0,0,0|2,0,1]=4 916 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [1,0,0,0,0,0|2,0,1]=4 917 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [1,0,0,0,0,0|2,0,1]=4 918 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,0,0,0,0,0|0,0,2]=3 919 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,0,0,0,0,0|0,0,2]=3 920 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [1,0,0,0,0,0|1,0,2]=4 921 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,0,0,0,0,0|1,0,2]=4 922 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,0,0,0,0,0|1,0,2]=4 923 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,0,0,0,0,0|1,0,2]=4 924 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,0,0,0,0,0|1,0,2]=4 925 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,0,0,0,0,0|1,0,2]=4 926 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [1,0,0,0,0,0|1,0,2]=4 927 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [1,0,0,0,0,0|1,0,2]=4 928 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [1,0,0,0,0,0|1,0,2]=4 929 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [1,0,0,0,0,0|1,0,2]=4 930 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [1,0,0,0,0,0|1,0,2]=4 931 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [1,0,0,0,0,0|1,0,2]=4 932 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [1,0,0,0,0,0|1,0,2]=4 933 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [1,0,0,0,0,0|1,0,2]=4 934 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [1,0,0,0,0,0|1,0,2]=4 935 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [1,0,0,0,0,0|1,0,2]=4 936 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [1,0,0,0,0,0|1,0,2]=4 937 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [1,0,0,0,0,0|1,0,2]=4 938 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [1,0,0,0,0,0|3,0,0]=4 939 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [1,0,0,0,0,0|3,0,0]=4 940 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [1,0,0,0,0,0|1,0,2]=4 941 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [1,0,0,0,0,0|1,0,2]=4 942 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [1,0,0,0,0,0|1,0,2]=4 943 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [1,0,0,0,0,0|1,0,2]=4 944 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [1,0,0,0,0,0|1,0,2]=4 945 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [1,0,0,0,0,0|1,0,2]=4 946 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [1,0,0,0,0,0|1,0,2]=4 947 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [1,0,0,0,0,0|1,0,2]=4 948 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [1,0,0,0,0,0|2,0,1]=4 949 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [1,0,0,0,0,0|2,0,1]=4 950 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [1,0,0,0,0,0|2,0,1]=4 951 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [1,0,0,0,0,0|2,0,1]=4 952 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [1,0,0,0,0,0|2,0,1]=4 953 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [1,0,0,0,0,0|2,0,1]=4 954 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [1,0,0,0,0,0|2,0,1]=4 955 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [1,0,0,0,0,0|2,0,1]=4 956 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [1,0,0,0,0,0|2,0,1]=4 957 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [1,0,0,0,0,0|2,0,1]=4 958 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [1,0,0,0,0,0|2,0,1]=4 959 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [1,0,0,0,0,0|2,0,1]=4 960 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [1,0,0,0,0,0|2,0,1]=4 961 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [1,0,0,0,0,0|2,0,1]=4 962 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [1,0,0,0,0,0|2,0,1]=4 963 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [1,0,0,0,0,0|2,0,1]=4 964 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [1,0,0,0,0,0|2,0,1]=4 965 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [1,0,0,0,0,0|2,0,1]=4 966 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [1,0,0,0,0,0|2,0,1]=4 967 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [1,0,0,0,0,0|2,0,1]=4 968 B8R0.6 CNC(=O)CNCC=O 2230a_100000693194_200015260668 [1,0,0,0,0,0|3,0,0]=4 969 B8R0.6 CNC(=O)COCC=O 34a_100000750040_200009817547 [1,0,0,0,0,0|3,0,0]=4 970 B8R0.6 CNC(=O)CSCC=O 62a_100000183359_200015260668 [1,0,0,0,0,0|3,0,0]=4 971 B8R0.6 CNC(=O)CSCC=O 62a_200015260668_100000183359 [1,0,0,0,0,0|3,0,0]=4 972 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [1,0,0,0,0,0|2,0,1]=4 973 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [1,0,0,0,0,0|2,0,1]=4 974 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [1,0,0,0,0,0|2,0,1]=4 975 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [1,0,0,0,0,0|2,0,1]=4 976 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [1,0,0,0,0,0|2,0,1]=4 977 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [1,0,0,0,0,0|1,0,1]=3 978 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [1,0,0,0,0,0|1,0,1]=3 979 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [1,0,0,0,0,0|1,0,1]=3 980 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [1,0,0,0,0,0|1,0,1]=3 981 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [1,0,0,0,0,0|1,0,1]=3 982 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [1,0,0,0,0,0|1,0,1]=3 983 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [1,0,0,0,0,0|1,0,1]=3 984 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [1,0,0,0,0,0|2,0,1]=4 985 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [1,0,0,0,0,0|2,0,1]=4 986 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [1,0,0,0,0,0|2,0,1]=4 987 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [1,0,0,0,0,0|2,0,1]=4 988 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [1,0,0,0,0,0|2,0,1]=4 989 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [1,0,0,0,0,0|2,0,1]=4 990 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [1,0,0,0,0,0|2,0,1]=4 991 B8R0.6 COC(=O)CSCC#N 62a_100000747449_100011215382 [1,0,0,0,0,0|2,0,1]=4 992 B8R0.6 COC(=O)CSCC#N 62a_100011215382_100000747449 [1,0,0,0,0,0|2,0,1]=4 993 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [1,0,0,0,0,0|2,0,0]=3 994 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [1,0,0,0,0,0|2,0,0]=3 995 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [1,0,0,0,0,0|2,0,1]=4 996 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [1,0,0,0,0,0|2,0,1]=4 997 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [1,0,0,0,0,0|2,0,1]=4 998 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [1,0,0,0,0,0|2,0,1]=4 999 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [1,0,0,0,0,0|2,0,1]=4 1000 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [1,0,0,0,0,0|2,0,1]=4 1001 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [1,0,0,0,0,0|2,0,1]=4 1002 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [1,0,0,0,0,0|2,0,1]=4 1003 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [1,0,0,0,0,0|2,0,1]=4 1004 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [1,0,0,0,0,0|2,0,1]=4 1005 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [1,0,0,0,0,0|1,0,1]=3 1006 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [1,0,0,0,0,0|2,0,1]=4 1007 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [1,0,0,0,0,0|2,0,1]=4 1008 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [1,0,0,0,0,0|2,0,1]=4 1009 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [1,0,0,0,0,0|2,0,1]=4 1010 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [1,0,0,0,0,0|2,0,1]=4 1011 B8R0.6 N#CCCCC(=O)CF 1458a_100000075515_100015361967 [1,0,0,0,0,0|2,0,1]=4 1012 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [1,0,0,0,0,0|2,0,1]=4 1013 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [1,0,0,0,0,0|2,0,1]=4 1014 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [1,0,0,0,0,0|2,0,1]=4 1015 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,0,0,0,0,0|2,0,1]=4 1016 B10R0.1 C#CCC(=O)CCCCC=C 1458a_100011215552_100000184674 [0,1,0,0,0,0|1,0,2]=4 1017 B10R0.1 C#CCC(=O)CCCCC=C 1458a_100011220946_100011215482 [0,1,0,0,0,0|1,0,2]=4 1018 B10R0.1 C#CCC(=O)CCOCC=C 1458a_200011217002_100000184674 [0,1,0,0,0,0|1,0,2]=4 1019 B10R0.1 C#CCC(=O)NCCCC=C 1626a_100000700776_100011220946 [0,1,0,0,0,0|1,0,2]=4 1020 B10R0.1 C#CCC(=O)NCCCC=C 527a_100000700776_100011220946 [0,1,0,0,0,0|1,0,2]=4 1021 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [0,1,0,0,0,0|1,0,2]=4 1022 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [0,1,0,0,0,0|1,0,2]=4 1023 B10R0.1 C#CCCCCC(=O)NCC 11a_100015525214_100000696528 [0,1,0,0,0,0|1,0,2]=4 1024 B10R0.1 C#CCCCCC(=O)NCC 240690a_100015525214_100000696528 [0,1,0,0,0,0|1,0,2]=4 1025 B10R0.1 C#CCCCCC(=O)NCC 527a_100015525214_100000696528 [0,1,0,0,0,0|1,0,2]=4 1026 B10R0.1 C#CCCCNC(=O)CCC 11a_100000718082_100000211992 [0,1,0,0,0,0|1,0,2]=4 1027 B10R0.1 C#CCCCNC(=O)CCC 1626a_100000718082_100000211992 [0,1,0,0,0,0|1,0,2]=4 1028 B10R0.1 C#CCCCNC(=O)CCC 240690a_100000718082_100000211992 [0,1,0,0,0,0|1,0,2]=4 1029 B10R0.1 C#CCCCNC(=O)CCC 527a_100000718082_100000211992 [0,1,0,0,0,0|1,0,2]=4 1030 B10R0.1 C#CCCCNC(=O)NCC 2708a_100000718082_100015525214 [0,1,0,0,0,0|1,0,2]=4 1031 B10R0.1 C#CCCCNC(=O)NCC 2708a_100015525214_100000718082 [0,1,0,0,0,0|1,0,2]=4 1032 B10R0.1 C#CCCCNC(=O)NCC 273464a_100000718082_100015525214 [0,1,0,0,0,0|1,0,2]=4 1033 B10R0.1 C#CCCCNC(=O)NCC 273464a_100015525214_100000718082 [0,1,0,0,0,0|1,0,2]=4 1034 B10R0.1 C#CCCCNC(=O)NCC 512a_100000718082_100015525214 [0,1,0,0,0,0|1,0,2]=4 1035 B10R0.1 C#CCCCNC(=O)NCC 512a_100015525214_100000718082 [0,1,0,0,0,0|1,0,2]=4 1036 B10R0.1 C#CCCNCC(=O)NCC 2230a_100016988866_100000688953 [0,1,0,0,0,0|1,0,2]=4 1037 B10R0.1 C#CCCNCC(=O)NCC 34a_100000755551_100000183381 [0,1,0,0,0,0|1,0,2]=4 1038 B10R0.1 C#CCCNCC(=O)OCC 34a_100000755551_100000188475 [0,1,0,0,0,0|0,0,2]=3 1039 B10R0.1 C#CCCOCC(=O)NCC 34a_100011215631_100000183381 [0,1,0,0,0,0|1,0,2]=4 1040 B10R0.1 C#CCCOCC(=O)OCC 34a_100011215631_100000188475 [0,1,0,0,0,0|0,0,2]=3 1041 B10R0.1 C#CCCSCC(=O)CCC 62a_100000688953_100000747444 [0,1,0,0,0,0|1,0,2]=4 1042 B10R0.1 C#CCCSCC(=O)CCC 62a_100000747444_100000688953 [0,1,0,0,0,0|1,0,2]=4 1043 B10R0.1 C#CCCSCC(=O)NCC 62a_100000183381_100000688953 [0,1,0,0,0,0|1,0,2]=4 1044 B10R0.1 C#CCCSCC(=O)NCC 62a_100000688953_100000183381 [0,1,0,0,0,0|1,0,2]=4 1045 B10R0.1 C#CCCSCC(=O)OCC 62a_100000188475_100000688953 [0,1,0,0,0,0|0,0,2]=3 1046 B10R0.1 C#CCCSCC(=O)OCC 62a_100000688953_100000188475 [0,1,0,0,0,0|0,0,2]=3 1047 B10R0.1 C#CCNCCC(=O)NCC 34a_100025743525_100000184674 [0,1,0,0,0,0|1,0,2]=4 1048 B10R0.1 C#CCNCCC(=O)OCC 34a_100000212058_100000765890 [0,1,0,0,0,0|0,0,2]=3 1049 B10R0.1 C#CCOCCC(=O)CCC 1458a_100000211992_100010402529 [0,1,0,0,0,0|1,0,2]=4 1050 B10R0.1 C#CCOCCC(=O)CCC 1458a_100000693358_100000210303 [0,1,0,0,0,0|1,0,2]=4 1051 B10R0.1 C#CCOCCC(=O)NCC 11a_100015525214_100000693358 [0,1,0,0,0,0|1,0,2]=4 1052 B10R0.1 C#CCOCCC(=O)NCC 240690a_100015525214_100000693358 [0,1,0,0,0,0|1,0,2]=4 1053 B10R0.1 C#CCOCCC(=O)NCC 527a_100015525214_100000693358 [0,1,0,0,0,0|1,0,2]=4 1054 B10R0.1 C#CCOCCC(=O)OCC 34a_100000210247_100000765890 [0,1,0,0,0,0|0,0,2]=3 1055 B10R0.1 C#CCSCCC(=O)NCC 62a_100000038162_100000737597 [0,1,0,0,0,0|1,0,2]=4 1056 B10R0.1 C#CCSCCC(=O)OCC 62a_100000038162_100000765890 [0,1,0,0,0,0|0,0,2]=3 1057 B10R0.1 C#CCSCOC(=O)OCC 62a_100000038162_100000075025 [0,1,0,0,0,0|1,0,2]=4 1058 B10R0.1 C/C=C/COCC(=O)NCC 34a_100016270725_100000183381 [0,1,0,0,0,0|2,0,0]=3 1059 B10R0.1 C/C=C/COCC(=O)NCO 34a_100016270725_100000185155 [0,1,0,0,0,0|3,0,0]=4 1060 B10R0.1 C/C=C/COCC(=O)OCC 34a_100016270725_100000188475 [0,1,0,0,0,0|1,0,0]=2 1061 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100000747444_100102629194 [0,1,0,0,0,0|2,0,0]=3 1062 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100102629194_100000747444 [0,1,0,0,0,0|2,0,0]=3 1063 B10R0.1 C/C=C/CSCC(=O)NCC 62a_100000183381_100102629194 [0,1,0,0,0,0|2,0,0]=3 1064 B10R0.1 C/C=C/CSCC(=O)NCC 62a_100102629194_100000183381 [0,1,0,0,0,0|2,0,0]=3 1065 B10R0.1 C/C=C/CSCC(=O)NCO 62a_100000185155_100102629194 [0,1,0,0,0,0|3,0,0]=4 1066 B10R0.1 C/C=C/CSCC(=O)NCO 62a_100102629194_100000185155 [0,1,0,0,0,0|3,0,0]=4 1067 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100000188475_100102629194 [0,1,0,0,0,0|1,0,0]=2 1068 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100102629194_100000188475 [0,1,0,0,0,0|1,0,0]=2 1069 B10R0.1 C=CCCCCC(=O)C#CC 1458a_100000763181_100011215482 [0,1,0,0,0,0|1,0,1]=3 1070 B10R0.1 C=CCCCCC(=O)C=CBr 1458a_100016273825_100011215482 [0,1,0,0,0,0|2,0,1]=4 1071 B10R0.1 C=CCCCCC(=O)C=CC 1458a_100000210699_100011215482 [0,1,0,0,0,0|1,0,1]=3 1072 B10R0.1 C=CCCCCC(=O)C=CCl 1458a_200016279998_100011215482 [0,1,0,0,0,0|2,0,1]=4 1073 B10R0.1 C=CCCCCC(=O)C=CI 1458a_100016256311_100011215482 [0,1,0,0,0,0|2,0,1]=4 1074 B10R0.1 C=CCCCCC(=O)CC#N 1458a_100011215552_100011214920 [0,1,0,0,0,0|2,0,1]=4 1075 B10R0.1 C=CCCCCC(=O)CC#N 1458a_100051588842_100011215482 [0,1,0,0,0,0|2,0,1]=4 1076 B10R0.1 C=CCCCCC(=O)CC=C 1458a_100000210193_100011215482 [0,1,0,0,0,0|1,0,2]=4 1077 B10R0.1 C=CCCCCC(=O)CC=C 1458a_100011215552_100000210623 [0,1,0,0,0,0|1,0,2]=4 1078 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,1,0,0,0,0|1,0,0]=2 1079 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,1,0,0,0,0|1,0,0]=2 1080 B10R0.1 C=CCCCCC(=O)CCF 1458a_100011215552_100011217306 [0,1,0,0,0,0|2,0,0]=3 1081 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [0,1,0,0,0,0|2,0,0]=3 1082 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [0,1,0,0,0,0|2,0,0]=3 1083 B10R0.1 C=CCCCCC(=O)COC 1458a_100000210968_100011215482 [0,1,0,0,0,0|2,0,0]=3 1084 B10R0.1 C=CCCCCC(=O)CSC 1458a_100000184570_100011215482 [0,1,0,0,0,0|2,0,0]=3 1085 B10R0.1 C=CCCCCC(=O)NCC 11a_100015525214_100011215552 [0,1,0,0,0,0|1,0,0]=2 1086 B10R0.1 C=CCCCCC(=O)NCC 240690a_100015525214_100011215552 [0,1,0,0,0,0|1,0,0]=2 1087 B10R0.1 C=CCCCCC(=O)NCC 527a_100015525214_100011215552 [0,1,0,0,0,0|1,0,0]=2 1088 B10R0.1 C=CCCCCC(=O)NNC 22a_100016993582_100011215552 [0,1,0,0,0,0|2,0,0]=3 1089 B10R0.1 C=CCCCCN(C)CCC 2230a_100000747261_100011215482 [0,1,0,0,0,0|3,0,0]=4 1090 B10R0.1 C=CCCCCN(C)CCC 2230a_100012000471_100000210303 [0,1,0,0,0,0|3,0,0]=4 1091 B10R0.1 C=CCCCCN(C)CCC 269982a_100000747261_100011215482 [0,1,0,0,0,0|3,0,0]=4 1092 B10R0.1 C=CCCCCN(C)CCC 269982a_100012000471_100000210303 [0,1,0,0,0,0|3,0,0]=4 1093 B10R0.1 C=CCCCNC(=O)C=CBr 1626a_100000700776_100016273825 [0,1,0,0,0,0|2,0,1]=4 1094 B10R0.1 C=CCCCNC(=O)C=CBr 240690a_100000700776_100016273825 [0,1,0,0,0,0|2,0,1]=4 1095 B10R0.1 C=CCCCNC(=O)C=CC 11a_100000700776_100000210699 [0,1,0,0,0,0|1,0,1]=3 1096 B10R0.1 C=CCCCNC(=O)C=CC 1626a_100000700776_100000210699 [0,1,0,0,0,0|1,0,1]=3 1097 B10R0.1 C=CCCCNC(=O)C=CC 240690a_100000700776_100000210699 [0,1,0,0,0,0|1,0,1]=3 1098 B10R0.1 C=CCCCNC(=O)C=CCl 11a_100000700776_200016279998 [0,1,0,0,0,0|2,0,1]=4 1099 B10R0.1 C=CCCCNC(=O)C=CCl 1626a_100000700776_200016279998 [0,1,0,0,0,0|2,0,1]=4 1100 B10R0.1 C=CCCCNC(=O)C=CCl 240690a_100000700776_200016279998 [0,1,0,0,0,0|2,0,1]=4 1101 B10R0.1 C=CCCCNC(=O)C=CI 1626a_100000700776_100016256311 [0,1,0,0,0,0|2,0,1]=4 1102 B10R0.1 C=CCCCNC(=O)CC#N 1626a_100000700776_100051588842 [0,1,0,0,0,0|2,0,1]=4 1103 B10R0.1 C=CCCCNC(=O)CC#N 240690a_100000700776_100051588842 [0,1,0,0,0,0|2,0,1]=4 1104 B10R0.1 C=CCCCNC(=O)CC=C 11a_100000700776_100000210193 [0,1,0,0,0,0|1,0,2]=4 1105 B10R0.1 C=CCCCNC(=O)CC=C 1626a_100000700776_100000210193 [0,1,0,0,0,0|1,0,2]=4 1106 B10R0.1 C=CCCCNC(=O)CC=C 240690a_100000700776_100000210193 [0,1,0,0,0,0|1,0,2]=4 1107 B10R0.1 C=CCCCNC(=O)CC=C 527a_100000700776_100000210193 [0,1,0,0,0,0|1,0,2]=4 1108 B10R0.1 C=CCCCNC(=O)CCC 11a_100000700776_100000211992 [0,1,0,0,0,0|1,0,0]=2 1109 B10R0.1 C=CCCCNC(=O)CCC 1626a_100000700776_100000211992 [0,1,0,0,0,0|1,0,0]=2 1110 B10R0.1 C=CCCCNC(=O)CCC 240690a_100000700776_100000211992 [0,1,0,0,0,0|1,0,0]=2 1111 B10R0.1 C=CCCCNC(=O)CCC 527a_100000700776_100000211992 [0,1,0,0,0,0|1,0,0]=2 1112 B10R0.1 C=CCCCNC(=O)CCO 240690a_100000700776_100011216618 [0,1,0,0,0,0|2,0,0]=3 1113 B10R0.1 C=CCCCNC(=O)COC 11a_100000700776_100000210968 [0,1,0,0,0,0|2,0,0]=3 1114 B10R0.1 C=CCCCNC(=O)COC 1626a_100000700776_100000210968 [0,1,0,0,0,0|2,0,0]=3 1115 B10R0.1 C=CCCCNC(=O)COC 240690a_100000700776_100000210968 [0,1,0,0,0,0|2,0,0]=3 1116 B10R0.1 C=CCCCNC(=O)COC 527a_100000700776_100000210968 [0,1,0,0,0,0|2,0,0]=3 1117 B10R0.1 C=CCCCNC(=O)CSC 11a_100000700776_100000184570 [0,1,0,0,0,0|2,0,0]=3 1118 B10R0.1 C=CCCCNC(=O)CSC 1626a_100000700776_100000184570 [0,1,0,0,0,0|2,0,0]=3 1119 B10R0.1 C=CCCCNC(=O)CSC 240690a_100000700776_100000184570 [0,1,0,0,0,0|2,0,0]=3 1120 B10R0.1 C=CCCCNC(=O)CSC 527a_100000700776_100000184570 [0,1,0,0,0,0|2,0,0]=3 1121 B10R0.1 C=CCCCNC(=O)NCC 2708a_100000700776_100015525214 [0,1,0,0,0,0|1,0,0]=2 1122 B10R0.1 C=CCCCNC(=O)NCC 2708a_100015525214_100000700776 [0,1,0,0,0,0|1,0,0]=2 1123 B10R0.1 C=CCCCNC(=O)NCC 273464a_100000700776_100015525214 [0,1,0,0,0,0|1,0,0]=2 1124 B10R0.1 C=CCCCNC(=O)NCC 273464a_100015525214_100000700776 [0,1,0,0,0,0|1,0,0]=2 1125 B10R0.1 C=CCCCNC(=O)NCC 512a_100000700776_100015525214 [0,1,0,0,0,0|1,0,0]=2 1126 B10R0.1 C=CCCCNC(=O)NCC 512a_100015525214_100000700776 [0,1,0,0,0,0|1,0,0]=2 1127 B10R0.1 C=CCCCNC(=O)NNC 273464a_100000700776_100016993582 [0,1,0,0,0,0|2,0,0]=3 1128 B10R0.1 C=CCCCNC(=O)NNC 512a_100000700776_100016993582 [0,1,0,0,0,0|2,0,0]=3 1129 B10R0.1 C=CCCCNC(=O)NNC 512a_100016993582_100000700776 [0,1,0,0,0,0|2,0,0]=3 1130 B10R0.1 C=CCCCNC(C)CCC 2230a_100000700776_100000766640 [0,1,0,0,0,0|2,0,1]=4 1131 B10R0.1 C=CCCCNC(C)CCC 2230a_100000741246_100011713584 [0,1,0,0,0,0|2,0,1]=4 1132 B10R0.1 C=CCCCNC(C)CCC 270004a_100000700776_100000211909 [0,1,0,0,0,0|2,0,1]=4 1133 B10R0.1 C=CCCCNC(C)CCC 34a_100000700776_100000766640 [0,1,0,0,0,0|2,0,1]=4 1134 B10R0.1 C=CCCCOC(C)CCC 34a_100000758997_100000766640 [0,1,0,0,0,0|2,0,1]=4 1135 B10R0.1 C=CCCCOC(C)CCC 34a_100000764384_100000757094 [0,1,0,0,0,0|2,0,1]=4 1136 B10R0.1 C=CCCCOC(C)CCC 7a_100000758997_100000766640 [0,1,0,0,0,0|2,0,1]=4 1137 B10R0.1 C=CCCCOC(C)CCC 7a_100000764384_100000757094 [0,1,0,0,0,0|2,0,1]=4 1138 B10R0.1 C=CCCCSC(C)CCC 62a_100000766640_100000757094 [0,1,0,0,0,0|2,0,1]=4 1139 B10R0.1 C=CCCCSC(C)CCC 62a_100011713584_100000766640 [0,1,0,0,0,0|2,0,1]=4 1140 B10R0.1 C=CCCNCC(=O)CCC 2230a_100015191253_100000747444 [0,1,0,0,0,0|1,0,0]=2 1141 B10R0.1 C=CCCNCC(=O)NCC 2230a_100015191253_100000183381 [0,1,0,0,0,0|1,0,0]=2 1142 B10R0.1 C=CCCNCC(=O)NCC 2230a_100016988866_100000754431 [0,1,0,0,0,0|1,0,0]=2 1143 B10R0.1 C=CCCNCC(=O)NCO 2230a_100015191253_100000185155 [0,1,0,0,0,0|2,0,0]=3 1144 B10R0.1 C=CCCNCC(=O)OC=C 2230a_100015191253_100000036128 [0,1,0,0,0,0|0,0,2]=3 1145 B10R0.1 C=CCCNCC(=O)OCC 2230a_100015191253_100000188475 [0,1,0,0,0,0|0,0,0]=1 1146 B10R0.1 C=CCCNCC(C)CCC 2230a_100015191253_100011216630 [0,1,0,0,0,0|2,0,1]=4 1147 B10R0.1 C=CCCNCC(C)CCC 270004a_100015191253_100000243154 [0,1,0,0,0,0|2,0,1]=4 1148 B10R0.1 C=CCCOCC(=O)NCC 34a_100011205117_100000183381 [0,1,0,0,0,0|1,0,0]=2 1149 B10R0.1 C=CCCOCC(=O)NCO 34a_100011205117_100000185155 [0,1,0,0,0,0|2,0,0]=3 1150 B10R0.1 C=CCCOCC(=O)OC=C 34a_100011205117_100000036128 [0,1,0,0,0,0|0,0,2]=3 1151 B10R0.1 C=CCCOCC(=O)OCC 34a_100011205117_100000188475 [0,1,0,0,0,0|0,0,0]=1 1152 B10R0.1 C=CCCOCC(C)CCC 34a_100000688023_100000754431 [0,1,0,0,0,0|2,0,1]=4 1153 B10R0.1 C=CCCOCC(C)CCC 34a_100011205117_100011216630 [0,1,0,0,0,0|2,0,1]=4 1154 B10R0.1 C=CCCOCC(C)CCC 7a_100000688023_100000754431 [0,1,0,0,0,0|2,0,1]=4 1155 B10R0.1 C=CCCOC[C@@H](N)CCC 34a_100000732646_100000754431 [0,1,0,0,0,0|2,0,1]=4 1156 B10R0.1 C=CCCSCC(=O)CCC 62a_100000747444_100000754431 [0,1,0,0,0,0|1,0,0]=2 1157 B10R0.1 C=CCCSCC(=O)CCC 62a_100000754431_100000747444 [0,1,0,0,0,0|1,0,0]=2 1158 B10R0.1 C=CCCSCC(=O)NCC 62a_100000183381_100000754431 [0,1,0,0,0,0|1,0,0]=2 1159 B10R0.1 C=CCCSCC(=O)NCC 62a_100000754431_100000183381 [0,1,0,0,0,0|1,0,0]=2 1160 B10R0.1 C=CCCSCC(=O)NCO 62a_100000185155_100000754431 [0,1,0,0,0,0|2,0,0]=3 1161 B10R0.1 C=CCCSCC(=O)NCO 62a_100000754431_100000185155 [0,1,0,0,0,0|2,0,0]=3 1162 B10R0.1 C=CCCSCC(=O)OC=C 62a_100000036128_100000754431 [0,1,0,0,0,0|0,0,2]=3 1163 B10R0.1 C=CCCSCC(=O)OC=C 62a_100000754431_100000036128 [0,1,0,0,0,0|0,0,2]=3 1164 B10R0.1 C=CCCSCC(=O)OCC 62a_100000188475_100000754431 [0,1,0,0,0,0|0,0,0]=1 1165 B10R0.1 C=CCCSCC(=O)OCC 62a_100000754431_100000188475 [0,1,0,0,0,0|0,0,0]=1 1166 B10R0.1 C=CCCSCC(C)CCC 62a_100000754431_100011216630 [0,1,0,0,0,0|2,0,1]=4 1167 B10R0.1 C=CCCSCC(C)CCC 62a_100011216630_100000754431 [0,1,0,0,0,0|2,0,1]=4 1168 B10R0.1 C=CCNCCC(=O)NCC 2230a_100020586998_100000737597 [0,1,0,0,0,0|1,0,0]=2 1169 B10R0.1 C=CCNCCC(=O)NCC 34a_100025743525_100015514636 [0,1,0,0,0,0|1,0,0]=2 1170 B10R0.1 C=CCNCCC(=O)OCC 2230a_100020586998_100011206558 [0,1,0,0,0,0|0,0,0]=1 1171 B10R0.1 C=CCNCOC(=O)CCC 2230a_100020586998_100000034017 [0,1,0,0,0,0|2,0,0]=3 1172 B10R0.1 C=CCOCCC(=O)CC#N 1458a_200011217002_100011214920 [0,1,0,0,0,0|2,0,1]=4 1173 B10R0.1 C=CCOCCC(=O)CC=C 1458a_200011217002_100000210623 [0,1,0,0,0,0|1,0,2]=4 1174 B10R0.1 C=CCOCCC(=O)CCC 1458a_200011217002_100000210303 [0,1,0,0,0,0|1,0,0]=2 1175 B10R0.1 C=CCOCCC(=O)CCF 1458a_200011217002_100011217306 [0,1,0,0,0,0|2,0,0]=3 1176 B10R0.1 C=CCOCCC(=O)CCO 1458a_200011217002_100000211926 [0,1,0,0,0,0|2,0,0]=3 1177 B10R0.1 C=CCOCCC(=O)NCC 11a_100015525214_200011217002 [0,1,0,0,0,0|1,0,0]=2 1178 B10R0.1 C=CCOCCC(=O)NCC 240690a_100015525214_200011217002 [0,1,0,0,0,0|1,0,0]=2 1179 B10R0.1 C=CCOCCC(=O)NCC 527a_100015525214_200011217002 [0,1,0,0,0,0|1,0,0]=2 1180 B10R0.1 C=CCOCCC(=O)NNC 22a_100016993582_200011217002 [0,1,0,0,0,0|2,0,0]=3 1181 B10R0.1 C=CCOCCC(=O)OCC 34a_200000210373_100000765890 [0,1,0,0,0,0|0,0,0]=1 1182 B10R0.1 C=CCOCCC(C)CCC 34a_100011217855_100015514636 [0,1,0,0,0,0|2,0,1]=4 1183 B10R0.1 C=CCOCCC(C)CCC 7a_100011217855_100015514636 [0,1,0,0,0,0|2,0,1]=4 1184 B10R0.1 C=CCOCC[C@@H](N)CCC 34a_100015193777_100015514636 [0,1,0,0,0,0|2,0,1]=4 1185 B10R0.1 C=CCOCOC(=O)CCC 34a_200000210373_100000034017 [0,1,0,0,0,0|2,0,0]=3 1186 B10R0.1 C=CCSCCC(=O)NCC 62a_100000210623_100000737597 [0,1,0,0,0,0|1,0,0]=2 1187 B10R0.1 C=CCSCCC(=O)NCC 62a_100000737597_100000210623 [0,1,0,0,0,0|1,0,0]=2 1188 B10R0.1 C=CCSCCC(=O)OCC 62a_100000210623_100000765890 [0,1,0,0,0,0|0,0,0]=1 1189 B10R0.1 C=CCSCCC(=O)OCC 62a_100000765890_100000210623 [0,1,0,0,0,0|0,0,0]=1 1190 B10R0.1 C=CCSCOC(=O)CCC 62a_100000210623_100000034017 [0,1,0,0,0,0|2,0,0]=3 1191 B10R0.1 C=CCSCOC(=O)OCC 62a_100000210623_100000075025 [0,1,0,0,0,0|1,0,0]=2 1192 B10R0.1 C=COC(=O)COC/C=C/C 34a_100016270725_100000036128 [0,1,0,0,0,0|1,0,2]=4 1193 B10R0.1 C=COC(=O)CSC/C=C/C 62a_100000036128_100102629194 [0,1,0,0,0,0|1,0,2]=4 1194 B10R0.1 C=COC(=O)CSC/C=C/C 62a_100102629194_100000036128 [0,1,0,0,0,0|1,0,2]=4 1195 B10R0.1 C=COC(=O)CSCC=CC 62a_100000036128_100000070051 [0,1,0,0,0,0|1,0,2]=4 1196 B10R0.1 C=COC(=O)CSCC=CC 62a_100000070051_100000036128 [0,1,0,0,0,0|1,0,2]=4 1197 B10R0.1 CC#CCNCC(=O)OCC 2230a_100000685387_100000188475 [0,1,0,0,0,0|0,0,3]=4 1198 B10R0.1 CC#CCNCC(=O)OCC 34a_100000685387_100000188475 [0,1,0,0,0,0|0,0,3]=4 1199 B10R0.1 CC#CCOCC(=O)OCC 34a_100000761923_100000188475 [0,1,0,0,0,0|0,0,3]=4 1200 B10R0.1 CC#CCSCC(=O)OCC 62a_100000188475_100000748600 [0,1,0,0,0,0|0,0,3]=4 1201 B10R0.1 CC#CCSCC(=O)OCC 62a_100000748600_100000188475 [0,1,0,0,0,0|0,0,3]=4 1202 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [0,1,0,0,0,0|1,0,2]=4 1203 B10R0.1 CC=CCNCC(=O)NCC 2230a_100016988866_100000070051 [0,1,0,0,0,0|2,0,0]=3 1204 B10R0.1 CC=CCSCC(=O)CCC 62a_100000070051_100000747444 [0,1,0,0,0,0|2,0,0]=3 1205 B10R0.1 CC=CCSCC(=O)CCC 62a_100000747444_100000070051 [0,1,0,0,0,0|2,0,0]=3 1206 B10R0.1 CC=CCSCC(=O)NCC 62a_100000070051_100000183381 [0,1,0,0,0,0|2,0,0]=3 1207 B10R0.1 CC=CCSCC(=O)NCC 62a_100000183381_100000070051 [0,1,0,0,0,0|2,0,0]=3 1208 B10R0.1 CC=CCSCC(=O)NCO 62a_100000070051_100000185155 [0,1,0,0,0,0|3,0,0]=4 1209 B10R0.1 CC=CCSCC(=O)NCO 62a_100000185155_100000070051 [0,1,0,0,0,0|3,0,0]=4 1210 B10R0.1 CC=CCSCC(=O)OCC 62a_100000070051_100000188475 [0,1,0,0,0,0|1,0,0]=2 1211 B10R0.1 CC=CCSCC(=O)OCC 62a_100000188475_100000070051 [0,1,0,0,0,0|1,0,0]=2 1212 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [0,1,0,0,0,0|1,0,2]=4 1213 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,1,0,0,0,0|1,0,2]=4 1214 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,1,0,0,0,0|1,0,2]=4 1215 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,1,0,0,0,0|1,0,2]=4 1216 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,1,0,0,0,0|1,0,2]=4 1217 B10R0.1 CCCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210303 [0,1,0,0,0,0|3,0,0]=4 1218 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,1,0,0,0,0|1,0,2]=4 1219 B10R0.1 CCCC(=O)CCOCC#N 1458a_100000211992_200000047693 [0,1,0,0,0,0|2,0,1]=4 1220 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [0,1,0,0,0,0|2,0,1]=4 1221 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [0,1,0,0,0,0|2,0,1]=4 1222 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [0,1,0,0,0,0|2,0,1]=4 1223 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [0,1,0,0,0,0|2,0,1]=4 1224 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [0,1,0,0,0,0|2,0,1]=4 1225 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [0,1,0,0,0,0|2,0,1]=4 1226 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [0,1,0,0,0,0|2,0,1]=4 1227 B10R0.1 CCCC(=O)CSCCC#N 62a_100000747444_100011215226 [0,1,0,0,0,0|2,0,1]=4 1228 B10R0.1 CCCC(=O)CSCCC#N 62a_100011215226_100000747444 [0,1,0,0,0,0|2,0,1]=4 1229 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [0,1,0,0,0,0|2,0,1]=4 1230 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [0,1,0,0,0,0|2,0,1]=4 1231 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [0,1,0,0,0,0|2,0,1]=4 1232 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [0,1,0,0,0,0|2,0,1]=4 1233 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [0,1,0,0,0,0|2,0,1]=4 1234 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [0,1,0,0,0,0|2,0,1]=4 1235 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [0,1,0,0,0,0|2,0,1]=4 1236 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [0,1,0,0,0,0|2,0,1]=4 1237 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [0,1,0,0,0,0|2,0,1]=4 1238 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [0,1,0,0,0,0|2,0,1]=4 1239 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [0,1,0,0,0,0|2,0,1]=4 1240 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [0,1,0,0,0,0|2,0,1]=4 1241 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [0,1,0,0,0,0|2,0,1]=4 1242 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [0,1,0,0,0,0|2,0,1]=4 1243 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [0,1,0,0,0,0|2,0,1]=4 1244 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [0,1,0,0,0,0|2,0,1]=4 1245 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [0,1,0,0,0,0|2,0,1]=4 1246 B10R0.1 CCCC(=O)OCSCC=O 62a_200015260668_100000034017 [0,1,0,0,0,0|3,0,0]=4 1247 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,1,0,0,0,0|1,0,2]=4 1248 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,1,0,0,0,0|1,0,2]=4 1249 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,1,0,0,0,0|1,0,2]=4 1250 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,1,0,0,0,0|1,0,2]=4 1251 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,1,0,0,0,0|1,0,2]=4 1252 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,1,0,0,0,0|1,0,2]=4 1253 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,1,0,0,0,0|1,0,2]=4 1254 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,1,0,0,0,0|1,0,2]=4 1255 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,1,0,0,0,0|1,0,2]=4 1256 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,1,0,0,0,0|1,0,2]=4 1257 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,1,0,0,0,0|1,0,2]=4 1258 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,1,0,0,0,0|1,0,2]=4 1259 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,1,0,0,0,0|1,0,2]=4 1260 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,1,0,0,0,0|1,0,2]=4 1261 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,1,0,0,0,0|1,0,2]=4 1262 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,1,0,0,0,0|1,0,2]=4 1263 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,1,0,0,0,0|1,0,2]=4 1264 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,1,0,0,0,0|1,0,2]=4 1265 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,1,0,0,0,0|1,0,2]=4 1266 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,1,0,0,0,0|1,0,2]=4 1267 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,1,0,0,0,0|0,0,2]=3 1268 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,1,0,0,0,0|0,0,2]=3 1269 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,1,0,0,0,0|1,0,2]=4 1270 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,1,0,0,0,0|1,0,2]=4 1271 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,1,0,0,0,0|1,0,2]=4 1272 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,1,0,0,0,0|1,0,2]=4 1273 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,1,0,0,0,0|1,0,2]=4 1274 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,1,0,0,0,0|1,0,2]=4 1275 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,1,0,0,0,0|1,0,2]=4 1276 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,1,0,0,0,0|1,0,2]=4 1277 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,1,0,0,0,0|0,0,2]=3 1278 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,1,0,0,0,0|0,0,2]=3 1279 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,1,0,0,0,0|1,0,2]=4 1280 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,1,0,0,0,0|1,0,2]=4 1281 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,1,0,0,0,0|1,0,2]=4 1282 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,1,0,0,0,0|1,0,2]=4 1283 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,1,0,0,0,0|1,0,2]=4 1284 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,1,0,0,0,0|1,0,2]=4 1285 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,1,0,0,0,0|1,0,2]=4 1286 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,1,0,0,0,0|1,0,2]=4 1287 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,1,0,0,0,0|0,0,2]=3 1288 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,1,0,0,0,0|0,0,2]=3 1289 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [0,1,0,0,0,0|1,0,2]=4 1290 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,1,0,0,0,0|1,0,2]=4 1291 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,1,0,0,0,0|0,0,2]=3 1292 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [0,1,0,0,0,0|1,0,2]=4 1293 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [0,1,0,0,0,0|1,0,2]=4 1294 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,1,0,0,0,0|0,0,2]=3 1295 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,1,0,0,0,0|0,0,2]=3 1296 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [0,1,0,0,0,0|1,0,2]=4 1297 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,1,0,0,0,0|1,0,2]=4 1298 B10R0.1 CCNC(=O)CCCN=[N+]=[N-] 11a_100015525214_100010262590 [0,1,0,0,0,0|3,0,0]=4 1299 B10R0.1 CCNC(=O)CCCN=[N+]=[N-] 240690a_100015525214_100010262590 [0,1,0,0,0,0|3,0,0]=4 1300 B10R0.1 CCNC(=O)CCCN=[N+]=[N-] 527a_100015525214_100010262590 [0,1,0,0,0,0|3,0,0]=4 1301 B10R0.1 CCNC(=O)CCNCC=O 34a_100025743525_200009817547 [0,1,0,0,0,0|2,0,0]=3 1302 B10R0.1 CCNC(=O)CCNCCF 34a_100025743525_100011217306 [0,1,0,0,0,0|2,0,1]=4 1303 B10R0.1 CCNC(=O)CCNCCO 2230a_100016997473_100000737597 [0,1,0,0,0,0|2,0,1]=4 1304 B10R0.1 CCNC(=O)CCNCCO 34a_100025743525_100000211926 [0,1,0,0,0,0|2,0,1]=4 1305 B10R0.1 CCNC(=O)CCNCSC 34a_100025743525_100011218213 [0,1,0,0,0,0|2,0,1]=4 1306 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [0,1,0,0,0,0|2,0,1]=4 1307 B10R0.1 CCNC(=O)CCSCC#N 62a_100000737597_100011215382 [0,1,0,0,0,0|2,0,1]=4 1308 B10R0.1 CCNC(=O)CCSCC#N 62a_100011215382_100000737597 [0,1,0,0,0,0|2,0,1]=4 1309 B10R0.1 CCNC(=O)CCSCC=O 62a_100000737597_200015260668 [0,1,0,0,0,0|2,0,0]=3 1310 B10R0.1 CCNC(=O)CCSCC=O 62a_200015260668_100000737597 [0,1,0,0,0,0|2,0,0]=3 1311 B10R0.1 CCNC(=O)CCSCCF 62a_100000737597_100011217306 [0,1,0,0,0,0|2,0,1]=4 1312 B10R0.1 CCNC(=O)CCSCCF 62a_100011217306_100000737597 [0,1,0,0,0,0|2,0,1]=4 1313 B10R0.1 CCNC(=O)CCSCCO 62a_100000211926_100000737597 [0,1,0,0,0,0|2,0,1]=4 1314 B10R0.1 CCNC(=O)CCSCCO 62a_100000737597_100000211926 [0,1,0,0,0,0|2,0,1]=4 1315 B10R0.1 CCNC(=O)CCSCOC 62a_100000737597_100000766300 [0,1,0,0,0,0|2,0,1]=4 1316 B10R0.1 CCNC(=O)CCSCOC 62a_100000766300_100000737597 [0,1,0,0,0,0|2,0,1]=4 1317 B10R0.1 CCNC(=O)CCSCSC 62a_100000737597_100011218213 [0,1,0,0,0,0|2,0,1]=4 1318 B10R0.1 CCNC(=O)CCSCSC 62a_100011218213_100000737597 [0,1,0,0,0,0|2,0,1]=4 1319 B10R0.1 CCNC(=O)CNCCC#N 2230a_100016988866_100011215226 [0,1,0,0,0,0|2,0,1]=4 1320 B10R0.1 CCNC(=O)CNCCCF 2230a_100015189416_100000183381 [0,1,0,0,0,0|2,0,1]=4 1321 B10R0.1 CCNC(=O)CNCCCF 2230a_100016988866_100011934791 [0,1,0,0,0,0|2,0,1]=4 1322 B10R0.1 CCNC(=O)CNCCCF 34a_100015189416_100000183381 [0,1,0,0,0,0|2,0,1]=4 1323 B10R0.1 CCNC(=O)CNCCCO 2230a_100016988866_100000230001 [0,1,0,0,0,0|2,0,1]=4 1324 B10R0.1 CCNC(=O)CNCCOC 2230a_100000209980_100000183381 [0,1,0,0,0,0|2,0,1]=4 1325 B10R0.1 CCNC(=O)CNCCOC 2230a_100016988866_100011201679 [0,1,0,0,0,0|2,0,1]=4 1326 B10R0.1 CCNC(=O)CNCCSC 2230a_100016988866_100000751147 [0,1,0,0,0,0|2,0,1]=4 1327 B10R0.1 CCNC(=O)CNCCSC 2230a_100020590264_100000183381 [0,1,0,0,0,0|2,0,1]=4 1328 B10R0.1 CCNC(=O)COCCCBr 34a_100011217188_100000183381 [0,1,0,0,0,0|2,0,1]=4 1329 B10R0.1 CCNC(=O)COCCCCl 34a_100000230001_100000183381 [0,1,0,0,0,0|2,0,1]=4 1330 B10R0.1 CCNC(=O)COCCCF 34a_100000759539_100000183381 [0,1,0,0,0,0|2,0,1]=4 1331 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [0,1,0,0,0,0|2,0,1]=4 1332 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [0,1,0,0,0,0|2,0,1]=4 1333 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [0,1,0,0,0,0|2,0,1]=4 1334 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [0,1,0,0,0,0|2,0,1]=4 1335 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [0,1,0,0,0,0|2,0,1]=4 1336 B10R0.1 CCNC(=O)COCCON 34a_100000700252_100000183381 [0,1,0,0,0,0|3,0,0]=4 1337 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [0,1,0,0,0,0|2,0,1]=4 1338 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [0,1,0,0,0,0|2,0,1]=4 1339 B10R0.1 CCNC(=O)CSCCC#N 62a_100000183381_100011215226 [0,1,0,0,0,0|2,0,1]=4 1340 B10R0.1 CCNC(=O)CSCCC#N 62a_100011215226_100000183381 [0,1,0,0,0,0|2,0,1]=4 1341 B10R0.1 CCNC(=O)CSCCCF 62a_100000183381_100011934791 [0,1,0,0,0,0|2,0,1]=4 1342 B10R0.1 CCNC(=O)CSCCCF 62a_100011934791_100000183381 [0,1,0,0,0,0|2,0,1]=4 1343 B10R0.1 CCNC(=O)CSCCCO 62a_100000183381_100011215043 [0,1,0,0,0,0|2,0,1]=4 1344 B10R0.1 CCNC(=O)CSCCCO 62a_100011215043_100000183381 [0,1,0,0,0,0|2,0,1]=4 1345 B10R0.1 CCNC(=O)CSCCOC 62a_100000183381_100000233755 [0,1,0,0,0,0|2,0,1]=4 1346 B10R0.1 CCNC(=O)CSCCOC 62a_100000233755_100000183381 [0,1,0,0,0,0|2,0,1]=4 1347 B10R0.1 CCNC(=O)CSCCSC 62a_100000183381_100000751147 [0,1,0,0,0,0|2,0,1]=4 1348 B10R0.1 CCNC(=O)CSCCSC 62a_100000212216_100000183381 [0,1,0,0,0,0|2,0,1]=4 1349 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [0,1,0,0,0,0|2,0,1]=4 1350 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [0,1,0,0,0,0|2,0,1]=4 1351 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [0,1,0,0,0,0|2,0,1]=4 1352 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [0,1,0,0,0,0|2,0,1]=4 1353 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [0,1,0,0,0,0|2,0,1]=4 1354 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [0,1,0,0,0,0|2,0,1]=4 1355 B10R0.1 CCNC(=O)NCCCOC 2708a_100015525214_100150723488 [0,1,0,0,0,0|2,0,1]=4 1356 B10R0.1 CCNC(=O)NCCCOC 2708a_100150723488_100015525214 [0,1,0,0,0,0|2,0,1]=4 1357 B10R0.1 CCNC(=O)NCCCOC 273464a_100015525214_100150723488 [0,1,0,0,0,0|2,0,1]=4 1358 B10R0.1 CCNC(=O)NCCCOC 273464a_100150723488_100015525214 [0,1,0,0,0,0|2,0,1]=4 1359 B10R0.1 CCNC(=O)NCCCOC 512a_100015525214_100150723488 [0,1,0,0,0,0|2,0,1]=4 1360 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [0,1,0,0,0,0|2,0,1]=4 1361 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [0,1,0,0,0,0|2,0,1]=4 1362 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [0,1,0,0,0,0|2,0,1]=4 1363 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [0,1,0,0,0,0|2,0,1]=4 1364 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [0,1,0,0,0,0|2,0,1]=4 1365 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [0,1,0,0,0,0|2,0,1]=4 1366 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,1,0,0,0,0|0,0,2]=3 1367 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,1,0,0,0,0|0,0,2]=3 1368 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,1,0,0,0,0|0,0,2]=3 1369 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,1,0,0,0,0|0,0,2]=3 1370 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,1,0,0,0,0|0,0,2]=3 1371 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,1,0,0,0,0|0,0,2]=3 1372 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,1,0,0,0,0|0,0,2]=3 1373 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,1,0,0,0,0|0,0,2]=3 1374 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,1,0,0,0,0|0,0,2]=3 1375 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [0,1,0,0,0,0|1,0,1]=3 1376 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,1,0,0,0,0|0,0,2]=3 1377 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,1,0,0,0,0|0,0,2]=3 1378 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [0,1,0,0,0,0|1,0,1]=3 1379 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [0,1,0,0,0,0|1,0,1]=3 1380 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [0,1,0,0,0,0|1,0,1]=3 1381 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [0,1,0,0,0,0|1,0,1]=3 1382 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [0,1,0,0,0,0|1,0,1]=3 1383 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [0,1,0,0,0,0|1,0,1]=3 1384 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [0,1,0,0,0,0|1,0,1]=3 1385 B10R0.1 CCOC(=O)CCSCC#N 62a_100000765890_100011215382 [0,1,0,0,0,0|1,0,1]=3 1386 B10R0.1 CCOC(=O)CCSCC#N 62a_100011215382_100000765890 [0,1,0,0,0,0|1,0,1]=3 1387 B10R0.1 CCOC(=O)CCSCC=O 62a_100000765890_200015260668 [0,1,0,0,0,0|1,0,0]=2 1388 B10R0.1 CCOC(=O)CCSCC=O 62a_200015260668_100000765890 [0,1,0,0,0,0|1,0,0]=2 1389 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [0,1,0,0,0,0|1,0,1]=3 1390 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [0,1,0,0,0,0|1,0,1]=3 1391 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [0,1,0,0,0,0|1,0,1]=3 1392 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [0,1,0,0,0,0|1,0,1]=3 1393 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [0,1,0,0,0,0|1,0,1]=3 1394 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [0,1,0,0,0,0|1,0,1]=3 1395 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [0,1,0,0,0,0|1,0,1]=3 1396 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [0,1,0,0,0,0|1,0,1]=3 1397 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [0,1,0,0,0,0|1,0,1]=3 1398 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [0,1,0,0,0,0|1,0,1]=3 1399 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [0,1,0,0,0,0|1,0,1]=3 1400 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [0,1,0,0,0,0|1,0,1]=3 1401 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [0,1,0,0,0,0|1,0,1]=3 1402 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [0,1,0,0,0,0|1,0,1]=3 1403 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [0,1,0,0,0,0|1,0,1]=3 1404 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [0,1,0,0,0,0|1,0,1]=3 1405 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [0,1,0,0,0,0|1,0,1]=3 1406 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [0,1,0,0,0,0|1,0,1]=3 1407 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [0,1,0,0,0,0|1,0,1]=3 1408 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [0,1,0,0,0,0|1,0,1]=3 1409 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [0,1,0,0,0,0|1,0,1]=3 1410 B10R0.1 CCOC(=O)COCCON 34a_100000700252_100000188475 [0,1,0,0,0,0|2,0,0]=3 1411 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [0,1,0,0,0,0|1,0,1]=3 1412 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [0,1,0,0,0,0|1,0,1]=3 1413 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [0,1,0,0,0,0|1,0,1]=3 1414 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [0,1,0,0,0,0|1,0,1]=3 1415 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [0,1,0,0,0,0|1,0,1]=3 1416 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [0,1,0,0,0,0|1,0,1]=3 1417 B10R0.1 CCOC(=O)CSCCC#N 62a_100000188475_100011215226 [0,1,0,0,0,0|1,0,1]=3 1418 B10R0.1 CCOC(=O)CSCCC#N 62a_100011215226_100000188475 [0,1,0,0,0,0|1,0,1]=3 1419 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [0,1,0,0,0,0|1,0,1]=3 1420 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [0,1,0,0,0,0|1,0,1]=3 1421 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [0,1,0,0,0,0|1,0,1]=3 1422 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [0,1,0,0,0,0|1,0,1]=3 1423 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [0,1,0,0,0,0|1,0,1]=3 1424 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [0,1,0,0,0,0|1,0,1]=3 1425 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [0,1,0,0,0,0|1,0,1]=3 1426 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [0,1,0,0,0,0|1,0,1]=3 1427 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [0,1,0,0,0,0|1,0,1]=3 1428 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [0,1,0,0,0,0|1,0,1]=3 1429 B10R0.1 CCOC(=O)CSCSC#N 62a_100000188475_100000211825 [0,1,0,0,0,0|2,0,1]=4 1430 B10R0.1 CCOC(=O)CSCSC#N 62a_100000211825_100000188475 [0,1,0,0,0,0|2,0,1]=4 1431 B10R0.1 CCOC(=O)NCCOCF 34a_100000158857_100015361967 [0,1,0,0,0,0|2,0,1]=4 1432 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [0,1,0,0,0,0|1,0,2]=4 1433 B10R0.1 CCOC(=O)NCCSCF 62a_100015361967_200011445536 [0,1,0,0,0,0|2,0,1]=4 1434 B10R0.1 CCOC(=O)OCSCC#N 62a_100011215382_100000075025 [0,1,0,0,0,0|2,0,1]=4 1435 B10R0.1 CCOC(=O)OCSCC=O 62a_200015260668_100000075025 [0,1,0,0,0,0|2,0,0]=3 1436 B10R0.1 CCOC(=O)OCSCCF 62a_100011217306_100000075025 [0,1,0,0,0,0|2,0,1]=4 1437 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [0,1,0,0,0,0|2,0,1]=4 1438 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [0,1,0,0,0,0|2,0,1]=4 1439 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [0,1,0,0,0,0|2,0,1]=4 1440 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,1,0,0,0,0|0,0,2]=3 1441 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,1,0,0,0,0|0,0,2]=3 1442 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [0,1,0,0,0,0|1,0,2]=4 1443 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [0,1,0,0,0,0|1,0,2]=4 1444 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [0,1,0,0,0,0|1,0,2]=4 1445 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100000243816_100000184674 [0,1,0,0,0,0|0,0,3]=4 1446 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100011220946_100000188475 [0,1,0,0,0,0|0,0,3]=4 1447 B10R0.2 C#CCN(C)CC(=O)OCC 2230a_100000220588_100000038162 [0,1,0,0,0,0|1,0,2]=4 1448 B10R0.2 C#CCN(C)CC(=O)OCC 2230a_100000225692_100000188475 [0,1,0,0,0,0|1,0,2]=4 1449 B10R0.2 C#CCN(C)CC(=O)OCC 34a_100000225692_100000188475 [0,1,0,0,0,0|1,0,2]=4 1450 B10R0.2 C=CCC(=O)CC(=C)CCC 1458a_100000138376_100000210623 [0,1,0,0,0,0|2,0,1]=4 1451 B10R0.2 C=CCC(=O)CC(=O)CCC 1458a_100000210193_100000747444 [0,1,0,0,0,0|1,0,1]=3 1452 B10R0.2 C=CCC(=O)CC(=O)NCC 1458a_100000210193_100000183381 [0,1,0,0,0,0|1,0,1]=3 1453 B10R0.2 C=CCC(=O)CC(=O)NCO 1458a_100000210193_100000185155 [0,1,0,0,0,0|2,0,1]=4 1454 B10R0.2 C=CCC(=O)CC(=O)OC=C 1458a_100000210193_100000036128 [0,1,0,0,0,0|0,0,3]=4 1455 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000210193_100000188475 [0,1,0,0,0,0|0,0,1]=2 1456 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000243816_100000210623 [0,1,0,0,0,0|0,0,1]=2 1457 B10R0.2 C=CCC(=O)CS(=O)CCC 1458a_100011387404_100000210623 [0,1,0,0,0,0|2,0,1]=4 1458 B10R0.2 C=CCN(C)CC(=O)CCC 2230a_100000225617_100000747444 [0,1,0,0,0,0|2,0,0]=3 1459 B10R0.2 C=CCN(C)CC(=O)CCC 269982a_100000225617_100000747444 [0,1,0,0,0,0|2,0,0]=3 1460 B10R0.2 C=CCN(C)CC(=O)NCC 2230a_100000225617_100000183381 [0,1,0,0,0,0|2,0,0]=3 1461 B10R0.2 C=CCN(C)CC(=O)NCC 2230a_100000741943_100000210623 [0,1,0,0,0,0|2,0,0]=3 1462 B10R0.2 C=CCN(C)CC(=O)NCC 269982a_100000225617_100000183381 [0,1,0,0,0,0|2,0,0]=3 1463 B10R0.2 C=CCN(C)CC(=O)NCC 269982a_100000741943_100000210623 [0,1,0,0,0,0|2,0,0]=3 1464 B10R0.2 C=CCN(C)CC(=O)NCO 2230a_100000225617_100000185155 [0,1,0,0,0,0|3,0,0]=4 1465 B10R0.2 C=CCN(C)CC(=O)NCO 269982a_100000225617_100000185155 [0,1,0,0,0,0|3,0,0]=4 1466 B10R0.2 C=CCN(C)CC(=O)OC=C 2230a_100000225617_100000036128 [0,1,0,0,0,0|1,0,2]=4 1467 B10R0.2 C=CCN(C)CC(=O)OC=C 269982a_100000225617_100000036128 [0,1,0,0,0,0|1,0,2]=4 1468 B10R0.2 C=CCN(C)CC(=O)OCC 2230a_100000220588_100000210623 [0,1,0,0,0,0|1,0,0]=2 1469 B10R0.2 C=CCN(C)CC(=O)OCC 2230a_100000225617_100000188475 [0,1,0,0,0,0|1,0,0]=2 1470 B10R0.2 C=CCN(C)CC(=O)OCC 269982a_100000225617_100000188475 [0,1,0,0,0,0|1,0,0]=2 1471 B10R0.2 C=COC(=O)CC(=O)CCC 1458a_100000211992_100000036128 [0,1,0,0,0,0|2,0,1]=4 1472 B10R0.2 CC=CC(=O)CC(=O)OCC 1458a_100000210699_100000188475 [0,1,0,0,0,0|0,0,3]=4 1473 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,1,0,0,0,0|0,0,3]=4 1474 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,1,0,0,0,0|0,0,3]=4 1475 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,1,0,0,0,0|1,0,2]=4 1476 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,1,0,0,0,0|1,0,2]=4 1477 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,1,0,0,0,0|1,0,2]=4 1478 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,1,0,0,0,0|1,0,2]=4 1479 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,1,0,0,0,0|1,0,2]=4 1480 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,1,0,0,0,0|1,0,2]=4 1481 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,1,0,0,0,0|1,0,2]=4 1482 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,1,0,0,0,0|1,0,2]=4 1483 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,1,0,0,0,0|1,0,2]=4 1484 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,1,0,0,0,0|1,0,2]=4 1485 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,1,0,0,0,0|1,0,2]=4 1486 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,1,0,0,0,0|1,0,2]=4 1487 B10R0.2 CCNC(=O)CN(C)CC=O 2230a_100000741943_200015260668 [0,1,0,0,0,0|3,0,0]=4 1488 B10R0.2 CCNC(=O)CN(C)CC=O 269982a_100000741943_200015260668 [0,1,0,0,0,0|3,0,0]=4 1489 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [0,1,0,0,0,0|1,0,2]=4 1490 B10R0.2 CCOC(=O)CC(=O)C=CBr 1458a_100016273825_100000188475 [0,1,0,0,0,0|1,0,2]=4 1491 B10R0.2 CCOC(=O)CC(=O)C=CCl 1458a_200016279998_100000188475 [0,1,0,0,0,0|1,0,2]=4 1492 B10R0.2 CCOC(=O)CC(=O)C=CI 1458a_100016256311_100000188475 [0,1,0,0,0,0|1,0,2]=4 1493 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100000243816_100011214920 [0,1,0,0,0,0|1,0,2]=4 1494 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100051588842_100000188475 [0,1,0,0,0,0|1,0,2]=4 1495 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [0,1,0,0,0,0|1,0,2]=4 1496 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [0,1,0,0,0,0|1,0,2]=4 1497 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [0,1,0,0,0,0|1,0,2]=4 1498 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [0,1,0,0,0,0|1,0,2]=4 1499 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [0,1,0,0,0,0|1,0,2]=4 1500 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [0,1,0,0,0,0|1,0,2]=4 1501 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [0,1,0,0,0,0|1,0,2]=4 1502 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [0,1,0,0,0,0|1,0,2]=4 1503 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [0,1,0,0,0,0|1,0,2]=4 1504 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [0,1,0,0,0,0|1,0,2]=4 1505 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [0,1,0,0,0,0|1,0,2]=4 1506 B10R0.2 CCOC(=O)CC(C)SCF 62a_100009817359_100015361967 [0,1,0,0,0,0|2,0,1]=4 1507 B10R0.2 CCOC(=O)CC(C)SCF 62a_100015361967_100009817359 [0,1,0,0,0,0|2,0,1]=4 1508 B10R0.2 CCOC(=O)CN(C)CC#N 2230a_100000220588_100011215382 [0,1,0,0,0,0|2,0,1]=4 1509 B10R0.2 CCOC(=O)CN(C)CC#N 2230a_100000748184_100000188475 [0,1,0,0,0,0|2,0,1]=4 1510 B10R0.2 CCOC(=O)CN(C)CC=O 2230a_100000220588_200015260668 [0,1,0,0,0,0|2,0,0]=3 1511 B10R0.2 CCOC(=O)CN(C)CCF 2230a_100000220588_100011217306 [0,1,0,0,0,0|2,0,1]=4 1512 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000210263_100000188475 [0,1,0,0,0,0|2,0,1]=4 1513 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000220588_100000211926 [0,1,0,0,0,0|2,0,1]=4 1514 B10R0.2 CCOC(=O)CN(C)CCO 269982a_100000210263_100000188475 [0,1,0,0,0,0|2,0,1]=4 1515 B10R0.2 CCOC(=O)CN(C)COC 2230a_100000220588_100000766300 [0,1,0,0,0,0|2,0,1]=4 1516 B10R0.2 CCOC(=O)CN(C)CSC 2230a_100000220588_100011218213 [0,1,0,0,0,0|2,0,1]=4 1517 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [0,1,0,0,0,0|1,0,2]=4 1518 B10R0.2 CCOC(=O)C[C@@H](C)OCF 7a_100009816390_100015361967 [0,1,0,0,0,0|2,0,1]=4 1519 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [0,1,0,0,0,0|1,0,1]=3 1520 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [0,1,0,0,0,0|1,0,1]=3 1521 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [0,1,0,0,0,0|1,0,1]=3 1522 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [0,1,0,0,0,0|1,0,1]=3 1523 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [0,1,0,0,0,0|1,0,1]=3 1524 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [0,1,0,0,0,0|1,0,1]=3 1525 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [0,1,0,0,0,0|1,0,1]=3 1526 B10R0.3 C=C(C)CNCC(=O)NCC 2230a_100016988866_100000748629 [0,1,0,0,0,0|2,0,0]=3 1527 B10R0.3 C=C(C)CNNC(=O)CCC 22a_100000729518_100000211992 [0,1,0,0,0,0|3,0,0]=4 1528 B10R0.3 C=C(C)CNNC(=O)NCC 273464a_100015525214_100000729518 [0,1,0,0,0,0|3,0,0]=4 1529 B10R0.3 C=C(C)CNNC(=O)NCC 512a_100000729518_100015525214 [0,1,0,0,0,0|3,0,0]=4 1530 B10R0.3 C=C(C)CNNC(=O)NCC 512a_100015525214_100000729518 [0,1,0,0,0,0|3,0,0]=4 1531 B10R0.3 C=C(C)COCC(=O)NCC 34a_100000210245_100000183381 [0,1,0,0,0,0|2,0,0]=3 1532 B10R0.3 C=C(C)COCC(=O)NCO 34a_100000210245_100000185155 [0,1,0,0,0,0|3,0,0]=4 1533 B10R0.3 C=C(C)COCC(=O)OCC 34a_100000210245_100000188475 [0,1,0,0,0,0|1,0,0]=2 1534 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000747444_100000211660 [0,1,0,0,0,0|2,0,0]=3 1535 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000748629_100000747444 [0,1,0,0,0,0|2,0,0]=3 1536 B10R0.3 C=C(C)CSCC(=O)NCC 62a_100000183381_100000211660 [0,1,0,0,0,0|2,0,0]=3 1537 B10R0.3 C=C(C)CSCC(=O)NCC 62a_100000748629_100000183381 [0,1,0,0,0,0|2,0,0]=3 1538 B10R0.3 C=C(C)CSCC(=O)NCO 62a_100000185155_100000211660 [0,1,0,0,0,0|3,0,0]=4 1539 B10R0.3 C=C(C)CSCC(=O)NCO 62a_100000748629_100000185155 [0,1,0,0,0,0|3,0,0]=4 1540 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000188475_100000211660 [0,1,0,0,0,0|1,0,0]=2 1541 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000748629_100000188475 [0,1,0,0,0,0|1,0,0]=2 1542 B10R0.3 C=C(F)CNCC(=O)NCC 2230a_100016988866_100009893438 [0,1,0,0,0,0|2,0,0]=3 1543 B10R0.3 C=C(F)COCC(=O)NCC 34a_200010262243_100000183381 [0,1,0,0,0,0|2,0,0]=3 1544 B10R0.3 C=C(F)COCC(=O)NCO 34a_200010262243_100000185155 [0,1,0,0,0,0|3,0,0]=4 1545 B10R0.3 C=C(F)COCC(=O)OCC 34a_200010262243_100000188475 [0,1,0,0,0,0|1,0,0]=2 1546 B10R0.3 C=C(F)CSCC(=O)CCC 62a_100000042424_100000747444 [0,1,0,0,0,0|2,0,0]=3 1547 B10R0.3 C=C(F)CSCC(=O)CCC 62a_100000747444_100000042424 [0,1,0,0,0,0|2,0,0]=3 1548 B10R0.3 C=C(F)CSCC(=O)NCC 62a_100000042424_100000183381 [0,1,0,0,0,0|2,0,0]=3 1549 B10R0.3 C=C(F)CSCC(=O)NCC 62a_100000183381_100000042424 [0,1,0,0,0,0|2,0,0]=3 1550 B10R0.3 C=C(F)CSCC(=O)NCO 62a_100000042424_100000185155 [0,1,0,0,0,0|3,0,0]=4 1551 B10R0.3 C=C(F)CSCC(=O)NCO 62a_100000185155_100000042424 [0,1,0,0,0,0|3,0,0]=4 1552 B10R0.3 C=C(F)CSCC(=O)OCC 62a_100000042424_100000188475 [0,1,0,0,0,0|1,0,0]=2 1553 B10R0.3 C=C(F)CSCC(=O)OCC 62a_100000188475_100000042424 [0,1,0,0,0,0|1,0,0]=2 1554 B10R0.3 C=COC(=O)COCC(=C)C 34a_100000210245_100000036128 [0,1,0,0,0,0|1,0,2]=4 1555 B10R0.3 C=COC(=O)COCC(=C)F 34a_200010262243_100000036128 [0,1,0,0,0,0|1,0,2]=4 1556 B10R0.3 C=COC(=O)CSCC(=C)C 62a_100000036128_100000211660 [0,1,0,0,0,0|1,0,2]=4 1557 B10R0.3 C=COC(=O)CSCC(=C)C 62a_100000748629_100000036128 [0,1,0,0,0,0|1,0,2]=4 1558 B10R0.3 C=COC(=O)CSCC(=C)F 62a_100000036128_100000042424 [0,1,0,0,0,0|1,0,2]=4 1559 B10R0.3 C=COC(=O)CSCC(=C)F 62a_100000042424_100000036128 [0,1,0,0,0,0|1,0,2]=4 1560 B10R0.3 CC#CC(=O)CCCC(=O)C 1458a_100000763181_100011215641 [0,1,0,0,0,0|1,0,2]=4 1561 B10R0.3 CC#CC(=O)CCCC(=O)N 1458a_100000763181_100102525003 [0,1,0,0,0,0|2,0,1]=4 1562 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,1,0,0,0,0|2,0,1]=4 1563 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,1,0,0,0,0|1,0,2]=4 1564 B10R0.3 CC=CC(=O)CCCC(=O)N 1458a_100000210699_100102525003 [0,1,0,0,0,0|2,0,1]=4 1565 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,1,0,0,0,0|1,0,2]=4 1566 B10R0.3 CCCC(=O)CCC=C(F)F 1458a_100000211992_200009816681 [0,1,0,0,0,0|2,0,1]=4 1567 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,1,0,0,0,0|1,0,1]=3 1568 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,1,0,0,0,0|2,0,0]=3 1569 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,1,0,0,0,0|1,0,2]=4 1570 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,1,0,0,0,0|1,0,2]=4 1571 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,1,0,0,0,0|1,0,2]=4 1572 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [0,1,0,0,0,0|2,0,1]=4 1573 B10R0.3 CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210303 [0,1,0,0,0,0|3,0,0]=4 1574 B10R0.3 CCCC(=O)CCN=C(N)N 1458a_100000033030_100000210303 [0,1,0,0,0,0|3,0,0]=4 1575 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,1,0,0,0,0|2,0,1]=4 1576 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,1,0,0,0,0|2,0,1]=4 1577 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000181464_100000210303 [0,1,0,0,0,0|3,0,0]=4 1578 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000211992_200000034859 [0,1,0,0,0,0|3,0,0]=4 1579 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,1,0,0,0,0|2,0,1]=4 1580 B10R0.3 CCCC(=O)CCOC(=O)N 1458a_100000211992_200011214921 [0,1,0,0,0,0|3,0,0]=4 1581 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,1,0,0,0,0|2,0,1]=4 1582 B10R0.3 CCCC(=O)CNCC(=O)N 2230a_100000711301_100000747444 [0,1,0,0,0,0|3,0,0]=4 1583 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [0,1,0,0,0,0|3,0,0]=4 1584 B10R0.3 CCCC(=O)COCC(=O)N 1458a_100011219004_100000210303 [0,1,0,0,0,0|3,0,0]=4 1585 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747444_100000747473 [0,1,0,0,0,0|3,0,0]=4 1586 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747473_100000747444 [0,1,0,0,0,0|3,0,0]=4 1587 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100000747444_100020667443 [0,1,0,0,0,0|3,0,0]=4 1588 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747444 [0,1,0,0,0,0|3,0,0]=4 1589 B10R0.3 CCCC(=O)NCCC(=O)N 11a_100000740010_100000211992 [0,1,0,0,0,0|3,0,0]=4 1590 B10R0.3 CCCC(=O)NCCC(=O)N 240690a_100000740010_100000211992 [0,1,0,0,0,0|3,0,0]=4 1591 B10R0.3 CCCC(=O)NCCC(=O)N 527a_100000740010_100000211992 [0,1,0,0,0,0|3,0,0]=4 1592 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,1,0,0,0,0|1,0,1]=3 1593 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,1,0,0,0,0|1,0,1]=3 1594 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,1,0,0,0,0|1,0,2]=4 1595 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,1,0,0,0,0|1,0,2]=4 1596 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,1,0,0,0,0|1,0,2]=4 1597 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,1,0,0,0,0|1,0,2]=4 1598 B10R0.3 CCNC(=O)CCCN(C)C 11a_100015525214_100000740757 [0,1,0,0,0,0|2,0,1]=4 1599 B10R0.3 CCNC(=O)CCCN(C)C 240690a_100015525214_100000740757 [0,1,0,0,0,0|2,0,1]=4 1600 B10R0.3 CCNC(=O)CCC[N+](=O)[O-] 11a_100015525214_100016109205 [0,1,0,0,0,0|3,0,0]=4 1601 B10R0.3 CCNC(=O)CCC[N+](=O)[O-] 240690a_100015525214_100016109205 [0,1,0,0,0,0|3,0,0]=4 1602 B10R0.3 CCNC(=O)CCC[N+](=O)[O-] 527a_100015525214_100016109205 [0,1,0,0,0,0|3,0,0]=4 1603 B10R0.3 CCNC(=O)CCN=C(N)N 240690a_100015525214_100000033030 [0,1,0,0,0,0|3,0,0]=4 1604 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100015525214_100000183196 [0,1,0,0,0,0|2,0,1]=4 1605 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100025743525_100015343762 [0,1,0,0,0,0|2,0,1]=4 1606 B10R0.3 CCNC(=O)CCNC(=O)C 1626a_100025743525_100015343762 [0,1,0,0,0,0|2,0,1]=4 1607 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100015525214_100000183196 [0,1,0,0,0,0|2,0,1]=4 1608 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100025743525_100015343762 [0,1,0,0,0,0|2,0,1]=4 1609 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100015525214_100000183196 [0,1,0,0,0,0|2,0,1]=4 1610 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100025743525_100103153847 [0,1,0,0,0,0|2,0,1]=4 1611 B10R0.3 CCNC(=O)CCNC(=O)N 240690a_100015525214_100000181464 [0,1,0,0,0,0|3,0,0]=4 1612 B10R0.3 CCNC(=O)CCNC(=O)N 527a_100015525214_100000181464 [0,1,0,0,0,0|3,0,0]=4 1613 B10R0.3 CCNC(=O)CCSC(=O)C 240690a_100015525214_100000048949 [0,1,0,0,0,0|2,0,1]=4 1614 B10R0.3 CCNC(=O)CNCC(=O)N 2230a_100000711301_100000183381 [0,1,0,0,0,0|3,0,0]=4 1615 B10R0.3 CCNC(=O)CNCC(=O)N 2230a_100016988866_100000747473 [0,1,0,0,0,0|3,0,0]=4 1616 B10R0.3 CCNC(=O)CNCC(=O)O 269956a_100016091260_100000183381 [0,1,0,0,0,0|3,0,0]=4 1617 B10R0.3 CCNC(=O)COCC(=O)C 34a_100000211253_100000183381 [0,1,0,0,0,0|2,0,1]=4 1618 B10R0.3 CCNC(=O)COCC(=O)N 240690a_100015525214_100011219004 [0,1,0,0,0,0|3,0,0]=4 1619 B10R0.3 CCNC(=O)COCC(=O)N 527a_100015525214_100011219004 [0,1,0,0,0,0|3,0,0]=4 1620 B10R0.3 CCNC(=O)CSCC(=O)N 11a_100015525214_100000150265 [0,1,0,0,0,0|3,0,0]=4 1621 B10R0.3 CCNC(=O)CSCC(=O)N 240690a_100015525214_100000150265 [0,1,0,0,0,0|3,0,0]=4 1622 B10R0.3 CCNC(=O)CSCC(=O)N 527a_100015525214_100000150265 [0,1,0,0,0,0|3,0,0]=4 1623 B10R0.3 CCNC(=O)CSCC(=O)N 62a_100000183381_100000747473 [0,1,0,0,0,0|3,0,0]=4 1624 B10R0.3 CCNC(=O)CSCC(=O)N 62a_100000747473_100000183381 [0,1,0,0,0,0|3,0,0]=4 1625 B10R0.3 CCNC(=O)CSCC(=O)[O-] 62a_100000183381_100020667443 [0,1,0,0,0,0|3,0,0]=4 1626 B10R0.3 CCNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183381 [0,1,0,0,0,0|3,0,0]=4 1627 B10R0.3 CCNC(=O)NCCC(=O)N 2708a_100015525214_100000740010 [0,1,0,0,0,0|3,0,0]=4 1628 B10R0.3 CCNC(=O)NCCC(=O)N 273464a_100000740010_100015525214 [0,1,0,0,0,0|3,0,0]=4 1629 B10R0.3 CCNC(=O)NCCC(=O)N 273464a_100015525214_100000740010 [0,1,0,0,0,0|3,0,0]=4 1630 B10R0.3 CCNC(=O)NCCC(=O)N 512a_100015525214_100000740010 [0,1,0,0,0,0|3,0,0]=4 1631 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,1,0,0,0,0|0,0,1]=2 1632 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,1,0,0,0,0|0,0,1]=2 1633 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,1,0,0,0,0|0,0,1]=2 1634 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [0,1,0,0,0,0|1,0,1]=3 1635 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [0,1,0,0,0,0|1,0,1]=3 1636 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [0,1,0,0,0,0|1,0,1]=3 1637 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [0,1,0,0,0,0|1,0,2]=4 1638 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [0,1,0,0,0,0|1,0,2]=4 1639 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [0,1,0,0,0,0|1,0,2]=4 1640 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [0,1,0,0,0,0|1,0,2]=4 1641 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [0,1,0,0,0,0|1,0,2]=4 1642 B10R0.3 CCOC(=O)CNCC(=O)N 2230a_100000711301_100000188475 [0,1,0,0,0,0|2,0,0]=3 1643 B10R0.3 CCOC(=O)CNCC(=O)O 269956a_100016091260_100000188475 [0,1,0,0,0,0|2,0,0]=3 1644 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [0,1,0,0,0,0|1,0,2]=4 1645 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [0,1,0,0,0,0|1,0,2]=4 1646 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,1,0,0,0,0|1,0,2]=4 1647 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,1,0,0,0,0|1,0,2]=4 1648 B10R0.3 CCOC(=O)CNCC(F)F 34a_100000765723_100000188475 [0,1,0,0,0,0|2,0,1]=4 1649 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [0,1,0,0,0,0|1,0,1]=3 1650 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [0,1,0,0,0,0|1,0,2]=4 1651 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [0,1,0,0,0,0|1,0,2]=4 1652 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [0,1,0,0,0,0|1,0,2]=4 1653 B10R0.3 CCOC(=O)COCC(F)F 34a_100000743014_100000188475 [0,1,0,0,0,0|2,0,1]=4 1654 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [0,1,0,0,0,0|1,0,2]=4 1655 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [0,1,0,0,0,0|1,0,2]=4 1656 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000188475_100000747473 [0,1,0,0,0,0|2,0,0]=3 1657 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000747473_100000188475 [0,1,0,0,0,0|2,0,0]=3 1658 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100000188475_100020667443 [0,1,0,0,0,0|2,0,0]=3 1659 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100020667443_100000188475 [0,1,0,0,0,0|2,0,0]=3 1660 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [0,1,0,0,0,0|1,0,2]=4 1661 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [0,1,0,0,0,0|1,0,2]=4 1662 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,1,0,0,0,0|1,0,2]=4 1663 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,1,0,0,0,0|1,0,2]=4 1664 B10R0.3 CCOC(=O)CSCC(F)F 62a_100000188475_100011934356 [0,1,0,0,0,0|2,0,1]=4 1665 B10R0.3 CCOC(=O)CSCC(F)F 62a_100011934356_100000188475 [0,1,0,0,0,0|2,0,1]=4 1666 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,1,0,0,0,0|1,0,2]=4 1667 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,1,0,0,0,0|1,0,2]=4 1668 B10R0.3 CCOC(=O)CSC[N+](=O)[O-] 62a_100000188475_100000761209 [0,1,0,0,0,0|3,0,0]=4 1669 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,1,0,0,0,0|1,0,1]=3 1670 B10R0.3 CCOC(=O)NCCN(C)C 269982a_100102631434_200011445536 [0,1,0,0,0,0|2,0,1]=4 1671 B10R0.3 CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210202 [0,1,0,0,0,0|2,0,1]=4 1672 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,1,0,0,0,0|2,0,1]=4 1673 B10R0.3 COCC(=O)CCCC(=O)N 1458a_100000210968_100102525003 [0,1,0,0,0,0|3,0,0]=4 1674 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,1,0,0,0,0|2,0,1]=4 1675 B10R0.3 CSCC(=O)CCCC(=O)N 1458a_100000184570_100102525003 [0,1,0,0,0,0|3,0,0]=4 1676 B10R0.3 NC(=O)CCCC(=O)CCO 1458a_100011216618_100102525003 [0,1,0,0,0,0|3,0,0]=4 1677 B10R0.6 C#CCCCC(=O)CC(C)C 1458a_100000210554_100000731252 [0,1,0,0,0,0|1,0,2]=4 1678 B10R0.6 C#CCCCC(=O)CC(C)C 1458a_100000690238_100000210624 [0,1,0,0,0,0|1,0,2]=4 1679 B10R0.6 C#CCCCC(=O)CC(C)O 1458a_100000690238_100011218427 [0,1,0,0,0,0|1,0,2]=4 1680 B10R0.6 C#CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000731252 [0,1,0,0,0,0|1,0,2]=4 1681 B10R0.6 C#CCCCC(=O)NC(C)C 11a_100138425928_100000690238 [0,1,0,0,0,0|1,0,2]=4 1682 B10R0.6 C#CCCCC(=O)NC(C)C 1626a_100138425928_100000690238 [0,1,0,0,0,0|1,0,2]=4 1683 B10R0.6 C#CCCCC(=O)NC(C)C 240690a_100138425928_100000690238 [0,1,0,0,0,0|1,0,2]=4 1684 B10R0.6 C#CCCCC(=O)NC(C)C 527a_100138425928_100000690238 [0,1,0,0,0,0|1,0,2]=4 1685 B10R0.6 C#CCNCC(=O)OC(C)C 34a_100000212058_100011215430 [0,1,0,0,0,0|1,0,2]=4 1686 B10R0.6 C#CCOCC(=O)OC(C)C 34a_100000210247_100011215430 [0,1,0,0,0,0|1,0,2]=4 1687 B10R0.6 C#CCSCC(=O)OC(C)C 62a_100000038162_100011215430 [0,1,0,0,0,0|1,0,2]=4 1688 B10R0.6 C=CCCCC(=O)C=C(C)C 1458a_100000211388_100000757094 [0,1,0,0,0,0|1,0,1]=3 1689 B10R0.6 C=CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000757094 [0,1,0,0,0,0|1,0,1]=3 1690 B10R0.6 C=CCCCC(=O)C=C(C)I 1458a_100025716642_100000757094 [0,1,0,0,0,0|1,0,1]=3 1691 B10R0.6 C=CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000757094 [0,1,0,0,0,0|2,0,1]=4 1692 B10R0.6 C=CCCCC(=O)CC(=C)C 1458a_100000766728_100000748629 [0,1,0,0,0,0|1,0,1]=3 1693 B10R0.6 C=CCCCC(=O)CC(=C)F 1458a_100000766728_100009893438 [0,1,0,0,0,0|1,0,2]=4 1694 B10R0.6 C=CCCCC(=O)CC(=O)N 1458a_100000766728_100000187820 [0,1,0,0,0,0|2,0,1]=4 1695 B10R0.6 C=CCCCC(=O)CC(=O)N 1458a_100134613110_100000757094 [0,1,0,0,0,0|2,0,1]=4 1696 B10R0.6 C=CCCCC(=O)CC(=O)[O-] 1458a_100000766728_100020667443 [0,1,0,0,0,0|2,0,1]=4 1697 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000210554_100000757094 [0,1,0,0,0,0|1,0,0]=2 1698 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000766728_100000210624 [0,1,0,0,0,0|1,0,0]=2 1699 B10R0.6 C=CCCCC(=O)CC(C)O 1458a_100000766728_100011218427 [0,1,0,0,0,0|1,0,0]=2 1700 B10R0.6 C=CCCCC(=O)CC(F)F 1458a_100000766728_100011934356 [0,1,0,0,0,0|2,0,0]=3 1701 B10R0.6 C=CCCCC(=O)CN(C)C 1458a_100000750896_100000757094 [0,1,0,0,0,0|2,0,0]=3 1702 B10R0.6 C=CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757094 [0,1,0,0,0,0|1,0,0]=2 1703 B10R0.6 C=CCCCC(=O)C[N+](=O)[O-] 1458a_100000766728_100000761209 [0,1,0,0,0,0|3,0,0]=4 1704 B10R0.6 C=CCCCC(=O)C[S+](C)C 1458a_200159257847_100000757094 [0,1,0,0,0,0|2,0,0]=3 1705 B10R0.6 C=CCCCC(=O)NC(C)C 11a_100138425928_100000766728 [0,1,0,0,0,0|1,0,0]=2 1706 B10R0.6 C=CCCCC(=O)NC(C)C 1626a_100138425928_100000766728 [0,1,0,0,0,0|1,0,0]=2 1707 B10R0.6 C=CCCCC(=O)NC(C)C 240690a_100138425928_100000766728 [0,1,0,0,0,0|1,0,0]=2 1708 B10R0.6 C=CCCCC(=O)NC(C)C 527a_100138425928_100000766728 [0,1,0,0,0,0|1,0,0]=2 1709 B10R0.6 C=CCCCN(C)CC(C)C 2230a_100000747067_100011713584 [0,1,0,0,0,0|3,0,0]=4 1710 B10R0.6 C=CCCCN(C)CC(C)C 269982a_100000747067_100000757094 [0,1,0,0,0,0|3,0,0]=4 1711 B10R0.6 C=CCCCN(C)CC(C)O 2230a_100000227577_100011713584 [0,1,0,0,0,0|3,0,0]=4 1712 B10R0.6 C=CCCCN(C)CC(C)O 269982a_100000227577_100000757094 [0,1,0,0,0,0|3,0,0]=4 1713 B10R0.6 C=CCCNC(=O)C=C(C)C 11a_100015191253_100000211388 [0,1,0,0,0,0|2,0,1]=4 1714 B10R0.6 C=CCCNC(=O)C=C(C)C 1626a_100015191253_100000211388 [0,1,0,0,0,0|2,0,1]=4 1715 B10R0.6 C=CCCNC(=O)C=C(C)C 240690a_100015191253_100000211388 [0,1,0,0,0,0|2,0,1]=4 1716 B10R0.6 C=CCCNC(=O)C=C(C)Cl 11a_100015191253_200042562850 [0,1,0,0,0,0|2,0,1]=4 1717 B10R0.6 C=CCCNC(=O)C=C(C)Cl 1626a_100015191253_200042562850 [0,1,0,0,0,0|2,0,1]=4 1718 B10R0.6 C=CCCNC(=O)C=C(C)Cl 240690a_100015191253_200042562850 [0,1,0,0,0,0|2,0,1]=4 1719 B10R0.6 C=CCCNC(=O)C=C(C)I 11a_100015191253_100025716642 [0,1,0,0,0,0|2,0,1]=4 1720 B10R0.6 C=CCCNC(=O)C=C(C)I 1626a_100015191253_100025716642 [0,1,0,0,0,0|2,0,1]=4 1721 B10R0.6 C=CCCNC(=O)CC(C)C 11a_100015191253_100000210554 [0,1,0,0,0,0|2,0,0]=3 1722 B10R0.6 C=CCCNC(=O)CC(C)C 1626a_100015191253_100000210554 [0,1,0,0,0,0|2,0,0]=3 1723 B10R0.6 C=CCCNC(=O)CC(C)C 240690a_100015191253_100000210554 [0,1,0,0,0,0|2,0,0]=3 1724 B10R0.6 C=CCCNC(=O)CC(C)C 527a_100015191253_100000210554 [0,1,0,0,0,0|2,0,0]=3 1725 B10R0.6 C=CCCNC(=O)CN(C)C 11a_100015191253_100000750896 [0,1,0,0,0,0|3,0,0]=4 1726 B10R0.6 C=CCCNC(=O)CN(C)C 240690a_100015191253_100000750896 [0,1,0,0,0,0|3,0,0]=4 1727 B10R0.6 C=CCCNC(=O)CN(C)C 527a_100015191253_100000750896 [0,1,0,0,0,0|3,0,0]=4 1728 B10R0.6 C=CCCNC(=O)C[C@@H](C)O 240690a_100015191253_100011933948 [0,1,0,0,0,0|2,0,0]=3 1729 B10R0.6 C=CCCNC(=O)C[S+](C)C 11a_100015191253_200159257847 [0,1,0,0,0,0|3,0,0]=4 1730 B10R0.6 C=CCCNC(=O)C[S+](C)C 1626a_100015191253_200159257847 [0,1,0,0,0,0|3,0,0]=4 1731 B10R0.6 C=CCCNC(=O)C[S+](C)C 240690a_100015191253_200159257847 [0,1,0,0,0,0|3,0,0]=4 1732 B10R0.6 C=CCCNC(=O)C[S+](C)C 527a_100015191253_200159257847 [0,1,0,0,0,0|3,0,0]=4 1733 B10R0.6 C=CCCNC(=O)NC(C)C 2708a_100015191253_100138425928 [0,1,0,0,0,0|2,0,0]=3 1734 B10R0.6 C=CCCNC(=O)NC(C)C 2708a_100138425928_100015191253 [0,1,0,0,0,0|2,0,0]=3 1735 B10R0.6 C=CCCNC(=O)NC(C)C 273464a_100138425928_100015191253 [0,1,0,0,0,0|2,0,0]=3 1736 B10R0.6 C=CCCNC(=O)NC(C)C 512a_100015191253_100138425928 [0,1,0,0,0,0|2,0,0]=3 1737 B10R0.6 C=CCCNC(=O)NC(C)C 512a_100138425928_100015191253 [0,1,0,0,0,0|2,0,0]=3 1738 B10R0.6 C=CCNCC(=O)NC(C)C 2230a_100000168517_100000210623 [0,1,0,0,0,0|2,0,0]=3 1739 B10R0.6 C=CCNCC(=O)NC(C)C 2230a_100020586998_100000183996 [0,1,0,0,0,0|2,0,0]=3 1740 B10R0.6 C=CCNCC(=O)OC(C)C 2230a_100020586998_100011215430 [0,1,0,0,0,0|1,0,0]=2 1741 B10R0.6 C=CCNNC(=O)CC(C)C 22a_100020588587_100000210554 [0,1,0,0,0,0|3,0,0]=4 1742 B10R0.6 C=CCNNC(=O)C[C@@H](C)O 22a_100020588587_100011933948 [0,1,0,0,0,0|3,0,0]=4 1743 B10R0.6 C=CCNNC(=O)NC(C)C 273464a_100138425928_100020588587 [0,1,0,0,0,0|3,0,0]=4 1744 B10R0.6 C=CCNNC(=O)NC(C)C 512a_100020588587_100138425928 [0,1,0,0,0,0|3,0,0]=4 1745 B10R0.6 C=CCNNC(=O)NC(C)C 512a_100138425928_100020588587 [0,1,0,0,0,0|3,0,0]=4 1746 B10R0.6 C=CCOCC(=O)NC(C)C 34a_200000210373_100000183996 [0,1,0,0,0,0|2,0,0]=3 1747 B10R0.6 C=CCOCC(=O)OC(C)C 34a_200000210373_100011215430 [0,1,0,0,0,0|1,0,0]=2 1748 B10R0.6 C=CCSCC(=O)CC(=C)C 1458a_100000230395_100000748629 [0,1,0,0,0,0|2,0,1]=4 1749 B10R0.6 C=CCSCC(=O)CC(C)C 1458a_100000230395_100000210624 [0,1,0,0,0,0|2,0,0]=3 1750 B10R0.6 C=CCSCC(=O)CC(C)O 1458a_100000230395_100011218427 [0,1,0,0,0,0|2,0,0]=3 1751 B10R0.6 C=CCSCC(=O)CC(F)F 1458a_100000230395_100011934356 [0,1,0,0,0,0|3,0,0]=4 1752 B10R0.6 C=CCSCC(=O)NC(=O)C 62a_100000210623_100000183797 [0,1,0,0,0,0|2,0,1]=4 1753 B10R0.6 C=CCSCC(=O)NC(C)C 11a_100138425928_100000230395 [0,1,0,0,0,0|2,0,0]=3 1754 B10R0.6 C=CCSCC(=O)NC(C)C 1626a_100138425928_100000230395 [0,1,0,0,0,0|2,0,0]=3 1755 B10R0.6 C=CCSCC(=O)NC(C)C 240690a_100138425928_100000230395 [0,1,0,0,0,0|2,0,0]=3 1756 B10R0.6 C=CCSCC(=O)NC(C)C 527a_100138425928_100000230395 [0,1,0,0,0,0|2,0,0]=3 1757 B10R0.6 C=CCSCC(=O)NC(C)C 62a_100000183996_100000210623 [0,1,0,0,0,0|2,0,0]=3 1758 B10R0.6 C=CCSCC(=O)NC(C)C 62a_100000210623_100000183996 [0,1,0,0,0,0|2,0,0]=3 1759 B10R0.6 C=CCSCC(=O)OC(C)C 62a_100000210623_100011215430 [0,1,0,0,0,0|1,0,0]=2 1760 B10R0.6 C=CCSCC(=O)OC(C)C 62a_100011215430_100000210623 [0,1,0,0,0,0|1,0,0]=2 1761 B10R0.6 C=COCCC(=O)C=C(C)C 1458a_100000211388_100000039644 [0,1,0,0,0,0|2,0,1]=4 1762 B10R0.6 C=COCCC(=O)C=C(C)Cl 1458a_200042562850_100000039644 [0,1,0,0,0,0|2,0,1]=4 1763 B10R0.6 C=COCCC(=O)C=C(C)I 1458a_100025716642_100000039644 [0,1,0,0,0,0|2,0,1]=4 1764 B10R0.6 C=COCCC(=O)CC(C)C 1458a_100000210554_100000039644 [0,1,0,0,0,0|2,0,0]=3 1765 B10R0.6 C=COCCC(=O)CN(C)C 1458a_100000750896_100000039644 [0,1,0,0,0,0|3,0,0]=4 1766 B10R0.6 C=COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000039644 [0,1,0,0,0,0|2,0,0]=3 1767 B10R0.6 C=COCCC(=O)C[S+](C)C 1458a_200159257847_100000039644 [0,1,0,0,0,0|3,0,0]=4 1768 B10R0.6 CC(C)CC(=O)CCCC#N 1458a_100000075515_100000210624 [0,1,0,0,0,0|2,0,1]=4 1769 B10R0.6 CC(C)CC(=O)CCCC#N 1458a_100000210554_100000211468 [0,1,0,0,0,0|2,0,1]=4 1770 B10R0.6 CC(C)CC(=O)CCCCF 1458a_100000210554_100000729493 [0,1,0,0,0,0|2,0,1]=4 1771 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [0,1,0,0,0,0|2,0,1]=4 1772 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [0,1,0,0,0,0|2,0,1]=4 1773 B10R0.6 CC(C)NC(=O)CCCC#N 11a_100138425928_100000075515 [0,1,0,0,0,0|2,0,1]=4 1774 B10R0.6 CC(C)NC(=O)CCCC#N 1626a_100138425928_100000075515 [0,1,0,0,0,0|2,0,1]=4 1775 B10R0.6 CC(C)NC(=O)CCCC#N 240690a_100138425928_100000075515 [0,1,0,0,0,0|2,0,1]=4 1776 B10R0.6 CC(C)NC(=O)CCCC#N 527a_100138425928_100000075515 [0,1,0,0,0,0|2,0,1]=4 1777 B10R0.6 CC(C)NC(=O)CCCCO 1626a_100138425928_100000695505 [0,1,0,0,0,0|2,0,1]=4 1778 B10R0.6 CC(C)NC(=O)CNCC=O 2230a_100000168517_200015260668 [0,1,0,0,0,0|3,0,0]=4 1779 B10R0.6 CC(C)NC(=O)CSCC=O 62a_100000183996_200015260668 [0,1,0,0,0,0|3,0,0]=4 1780 B10R0.6 CC(C)NC(=O)CSCC=O 62a_200015260668_100000183996 [0,1,0,0,0,0|3,0,0]=4 1781 B10R0.6 CC(C)OC(=O)CCSCF 62a_100000760027_100015361967 [0,1,0,0,0,0|2,0,1]=4 1782 B10R0.6 CC(C)OC(=O)CCSCF 62a_100015361967_100000760027 [0,1,0,0,0,0|2,0,1]=4 1783 B10R0.6 CC(C)OC(=O)CNCCF 34a_100000724931_100011215430 [0,1,0,0,0,0|2,0,1]=4 1784 B10R0.6 CC(C)OC(=O)CNCCO 2230a_100016997473_100011215430 [0,1,0,0,0,0|2,0,1]=4 1785 B10R0.6 CC(C)OC(=O)CNCCO 34a_100016990907_100011215430 [0,1,0,0,0,0|2,0,1]=4 1786 B10R0.6 CC(C)OC(=O)COCCBr 34a_100000211926_100011215430 [0,1,0,0,0,0|2,0,1]=4 1787 B10R0.6 CC(C)OC(=O)COCCN 34a_100000210304_100011215430 [0,1,0,0,0,0|2,0,1]=4 1788 B10R0.6 CC(C)OC(=O)CSCC#N 62a_100011215382_100011215430 [0,1,0,0,0,0|2,0,1]=4 1789 B10R0.6 CC(C)OC(=O)CSCC#N 62a_100011215430_100011215382 [0,1,0,0,0,0|2,0,1]=4 1790 B10R0.6 CC(C)OC(=O)CSCC=O 62a_100011215430_200015260668 [0,1,0,0,0,0|2,0,0]=3 1791 B10R0.6 CC(C)OC(=O)CSCC=O 62a_200015260668_100011215430 [0,1,0,0,0,0|2,0,0]=3 1792 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011215430_100011217306 [0,1,0,0,0,0|2,0,1]=4 1793 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011217306_100011215430 [0,1,0,0,0,0|2,0,1]=4 1794 B10R0.6 CC(C)OC(=O)CSCCO 62a_100000211926_100011215430 [0,1,0,0,0,0|2,0,1]=4 1795 B10R0.6 CC(C)OC(=O)CSCCO 62a_100011215430_100000211926 [0,1,0,0,0,0|2,0,1]=4 1796 B10R0.6 CC(O)CC(=O)CCCC#N 1458a_100000075515_100011218427 [0,1,0,0,0,0|2,0,1]=4 1797 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [0,1,0,0,0,0|2,0,1]=4 1798 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,1,0,0,0,0|1,0,2]=4 1799 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,1,0,0,0,0|1,0,2]=4 1800 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,1,0,0,0,0|1,0,2]=4 1801 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,1,0,0,0,0|1,0,2]=4 1802 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [0,1,0,0,0,0|1,0,2]=4 1803 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [0,1,0,0,0,0|1,0,2]=4 1804 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [0,1,0,0,0,0|1,0,2]=4 1805 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [0,1,0,0,0,0|1,0,2]=4 1806 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [0,1,0,0,0,0|1,0,2]=4 1807 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [0,1,0,0,0,0|1,0,2]=4 1808 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [0,1,0,0,0,0|1,0,2]=4 1809 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [0,1,0,0,0,0|1,0,2]=4 1810 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [0,1,0,0,0,0|1,0,2]=4 1811 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [0,1,0,0,0,0|1,0,2]=4 1812 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000210554_100000740836 [0,1,0,0,0,0|2,0,1]=4 1813 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000741012_100000210624 [0,1,0,0,0,0|2,0,1]=4 1814 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [0,1,0,0,0,0|2,0,1]=4 1815 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [0,1,0,0,0,0|2,0,1]=4 1816 B10R0.6 COCCCC(=O)NC(C)C 11a_100138425928_100000741012 [0,1,0,0,0,0|2,0,1]=4 1817 B10R0.6 COCCCC(=O)NC(C)C 1626a_100138425928_100000741012 [0,1,0,0,0,0|2,0,1]=4 1818 B10R0.6 COCCCC(=O)NC(C)C 240690a_100138425928_100000741012 [0,1,0,0,0,0|2,0,1]=4 1819 B10R0.6 COCCCC(=O)NC(C)C 527a_100138425928_100000741012 [0,1,0,0,0,0|2,0,1]=4 1820 B10R0.6 COCSCC(=O)OC(C)C 62a_100000766300_100011215430 [0,1,0,0,0,0|2,0,1]=4 1821 B10R0.6 COCSCC(=O)OC(C)C 62a_100011215430_100000766300 [0,1,0,0,0,0|2,0,1]=4 1822 B10R0.6 CSCCCC(=O)CC(C)C 1458a_100000173376_100000210624 [0,1,0,0,0,0|2,0,1]=4 1823 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [0,1,0,0,0,0|2,0,1]=4 1824 B10R0.6 CSCCCC(=O)NC(C)C 11a_100138425928_100000173376 [0,1,0,0,0,0|2,0,1]=4 1825 B10R0.6 CSCCCC(=O)NC(C)C 1626a_100138425928_100000173376 [0,1,0,0,0,0|2,0,1]=4 1826 B10R0.6 CSCCCC(=O)NC(C)C 240690a_100138425928_100000173376 [0,1,0,0,0,0|2,0,1]=4 1827 B10R0.6 CSCCCC(=O)NC(C)C 527a_100138425928_100000173376 [0,1,0,0,0,0|2,0,1]=4 1828 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011215430_100011218213 [0,1,0,0,0,0|2,0,1]=4 1829 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011218213_100011215430 [0,1,0,0,0,0|2,0,1]=4 1830 B10R0.6 C[C@@H](O)CC(=O)CCCC#N 1458a_100011933948_100000211468 [0,1,0,0,0,0|2,0,1]=4 1831 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [0,1,0,0,0,0|2,0,1]=4 1832 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [0,1,0,0,0,0|2,0,1]=4 1833 B10R0.19 C#CCNC(C)C(=O)OCC 34a_100000212058_100011216346 [0,1,0,0,0,0|1,0,2]=4 1834 B10R0.19 C#CCNC(F)C(=O)OCC 34a_100000212058_100000760018 [0,1,0,0,0,0|1,0,2]=4 1835 B10R0.19 C#CCOC(C)C(=O)OCC 34a_100000210247_100011216346 [0,1,0,0,0,0|1,0,2]=4 1836 B10R0.19 C#CCOC(F)C(=O)OCC 34a_100000210247_100000760018 [0,1,0,0,0,0|1,0,2]=4 1837 B10R0.19 C#CCO[C@@H](C)C(=O)OCC 7a_100000751109_100000038162 [0,1,0,0,0,0|1,0,2]=4 1838 B10R0.19 C#CCSC(C)C(=O)OCC 62a_100000038162_100011216346 [0,1,0,0,0,0|1,0,2]=4 1839 B10R0.19 C#CCSC(F)C(=O)OCC 62a_100000038162_100000760018 [0,1,0,0,0,0|1,0,2]=4 1840 B10R0.19 C=CCCC(=O)/C(=C/CC)/C 1458a_100016988807_100000754431 [0,1,0,0,0,0|2,0,1]=4 1841 B10R0.19 C=CCCC(=O)C(=O)NCC 1458a_200011297158_100000754431 [0,1,0,0,0,0|1,0,1]=3 1842 B10R0.19 C=CCCC(=O)C(C)OCC 1458a_100000739345_100000754431 [0,1,0,0,0,0|1,0,2]=4 1843 B10R0.19 C=CCCC(C)N(C)CCC 270004a_100000747261_100000762624 [0,1,0,0,0,0|3,0,0]=4 1844 B10R0.19 C=CCCN(C)C(=O)C=CC 11a_100020639649_100000210699 [0,1,0,0,0,0|2,0,1]=4 1845 B10R0.19 C=CCCN(C)C(=O)C=CC 1626a_100020639649_100000210699 [0,1,0,0,0,0|2,0,1]=4 1846 B10R0.19 C=CCCN(C)C(=O)C=CC 240690a_100020639649_100000210699 [0,1,0,0,0,0|2,0,1]=4 1847 B10R0.19 C=CCCN(C)C(=O)CCC 11a_100020639649_100000211992 [0,1,0,0,0,0|2,0,0]=3 1848 B10R0.19 C=CCCN(C)C(=O)CCC 1626a_100020639649_100000211992 [0,1,0,0,0,0|2,0,0]=3 1849 B10R0.19 C=CCCN(C)C(=O)CCC 240690a_100020639649_100000211992 [0,1,0,0,0,0|2,0,0]=3 1850 B10R0.19 C=CCCN(C)C(=O)CCC 527a_100020639649_100000211992 [0,1,0,0,0,0|2,0,0]=3 1851 B10R0.19 C=CCCN(C)C(=O)CCO 240690a_100020639649_100011216618 [0,1,0,0,0,0|3,0,0]=4 1852 B10R0.19 C=CCCN(C)C(=O)COC 11a_100020639649_100000210968 [0,1,0,0,0,0|3,0,0]=4 1853 B10R0.19 C=CCCN(C)C(=O)COC 1626a_100020639649_100000210968 [0,1,0,0,0,0|3,0,0]=4 1854 B10R0.19 C=CCCN(C)C(=O)COC 240690a_100020639649_100000210968 [0,1,0,0,0,0|3,0,0]=4 1855 B10R0.19 C=CCCN(C)C(=O)COC 527a_100020639649_100000210968 [0,1,0,0,0,0|3,0,0]=4 1856 B10R0.19 C=CCCN(C)C(=O)CSC 11a_100020639649_100000184570 [0,1,0,0,0,0|3,0,0]=4 1857 B10R0.19 C=CCCN(C)C(=O)CSC 1626a_100020639649_100000184570 [0,1,0,0,0,0|3,0,0]=4 1858 B10R0.19 C=CCCN(C)C(=O)CSC 240690a_100020639649_100000184570 [0,1,0,0,0,0|3,0,0]=4 1859 B10R0.19 C=CCCN(C)C(=O)CSC 527a_100020639649_100000184570 [0,1,0,0,0,0|3,0,0]=4 1860 B10R0.19 C=CCCN(C)C(=O)NCC 2708a_100015525214_100020639649 [0,1,0,0,0,0|2,0,0]=3 1861 B10R0.19 C=CCCN(C)C(=O)NCC 273464a_100015525214_100020639649 [0,1,0,0,0,0|2,0,0]=3 1862 B10R0.19 C=CCNC(=O)C(=O)NCC 1626a_100020586998_200011297158 [0,1,0,0,0,0|2,0,1]=4 1863 B10R0.19 C=CCNC(=O)C(=O)NCC 240690a_100020586998_200011297158 [0,1,0,0,0,0|2,0,1]=4 1864 B10R0.19 C=CCNC(=O)C(=O)NCC 527a_100020586998_200011297158 [0,1,0,0,0,0|2,0,1]=4 1865 B10R0.19 C=CCNC(=O)C(=O)OCC 1626a_100020586998_100014798877 [0,1,0,0,0,0|1,0,1]=3 1866 B10R0.19 C=CCNC(=O)C(=O)OCC 240690a_100020586998_100014798877 [0,1,0,0,0,0|1,0,1]=3 1867 B10R0.19 C=CCNC(C)C(=O)NCC 2230a_100000736553_100000210623 [0,1,0,0,0,0|2,0,0]=3 1868 B10R0.19 C=CCNC(C)C(=O)NCC 2230a_100020586998_100000230173 [0,1,0,0,0,0|2,0,0]=3 1869 B10R0.19 C=CCNC(C)C(=O)NCC 34a_100000736553_100015514636 [0,1,0,0,0,0|2,0,0]=3 1870 B10R0.19 C=CCNC(C)C(=O)OCC 2230a_100020586998_100011215307 [0,1,0,0,0,0|1,0,0]=2 1871 B10R0.19 C=CCNC(F)C(=O)OCC 2230a_100020586998_100000760018 [0,1,0,0,0,0|1,0,0]=2 1872 B10R0.19 C=CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210623 [0,1,0,0,0,0|1,1,0]=3 1873 B10R0.19 C=CCOC(C)C(=O)NCC 34a_200000210373_100000230173 [0,1,0,0,0,0|2,0,0]=3 1874 B10R0.19 C=CCOC(C)C(=O)OCC 34a_200000210373_100011216346 [0,1,0,0,0,0|1,0,0]=2 1875 B10R0.19 C=CCOC(F)C(=O)OCC 34a_200000210373_100000760018 [0,1,0,0,0,0|1,0,0]=2 1876 B10R0.19 C=CCO[C@@H](C)C(=O)OCC 7a_100000751109_100015514636 [0,1,0,0,0,0|1,0,0]=2 1877 B10R0.19 C=CCSC(C)C(=O)CCC 1458a_100000230602_100000210303 [0,1,0,0,0,0|2,0,0]=3 1878 B10R0.19 C=CCSC(C)C(=O)CCF 1458a_100000230602_100011217306 [0,1,0,0,0,0|3,0,0]=4 1879 B10R0.19 C=CCSC(C)C(=O)CCO 1458a_100000230602_100000211926 [0,1,0,0,0,0|3,0,0]=4 1880 B10R0.19 C=CCSC(C)C(=O)NCC 11a_100015525214_100000230602 [0,1,0,0,0,0|2,0,0]=3 1881 B10R0.19 C=CCSC(C)C(=O)NCC 240690a_100015525214_100000230602 [0,1,0,0,0,0|2,0,0]=3 1882 B10R0.19 C=CCSC(C)C(=O)NCC 527a_100015525214_100000230602 [0,1,0,0,0,0|2,0,0]=3 1883 B10R0.19 C=CCSC(C)C(=O)NCC 62a_100000210623_100000230173 [0,1,0,0,0,0|2,0,0]=3 1884 B10R0.19 C=CCSC(C)C(=O)NCC 62a_100000230173_100000210623 [0,1,0,0,0,0|2,0,0]=3 1885 B10R0.19 C=CCSC(C)C(=O)NNC 22a_100016993582_100000230602 [0,1,0,0,0,0|3,0,0]=4 1886 B10R0.19 C=CCSC(C)C(=O)OCC 62a_100000210623_100011216346 [0,1,0,0,0,0|1,0,0]=2 1887 B10R0.19 C=CCSC(C)C(=O)OCC 62a_100011216346_100000210623 [0,1,0,0,0,0|1,0,0]=2 1888 B10R0.19 C=CCSC(F)C(=O)OCC 62a_100000210623_100000760018 [0,1,0,0,0,0|1,0,0]=2 1889 B10R0.19 C=CCSC(F)C(=O)OCC 62a_100000760018_100000210623 [0,1,0,0,0,0|1,0,0]=2 1890 B10R0.19 CCCC(=O)C(O)CCSC 1458a_100000685904_100000210303 [0,1,0,0,0,0|2,0,1]=4 1891 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [0,1,0,0,0,0|1,0,2]=4 1892 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [0,1,0,0,0,0|1,0,2]=4 1893 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [0,1,0,0,0,0|1,0,2]=4 1894 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [0,1,0,0,0,0|1,0,2]=4 1895 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [0,1,0,0,0,0|1,0,2]=4 1896 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [0,1,0,0,0,0|1,0,2]=4 1897 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [0,1,0,0,0,0|1,0,2]=4 1898 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [0,1,0,0,0,0|1,0,2]=4 1899 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [0,1,0,0,0,0|1,0,2]=4 1900 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [0,1,0,0,0,0|1,0,2]=4 1901 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [0,1,0,0,0,0|1,0,2]=4 1902 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [0,1,0,0,0,0|1,0,2]=4 1903 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [0,1,0,0,0,0|1,0,2]=4 1904 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [0,1,0,0,0,0|1,0,2]=4 1905 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [0,1,0,0,0,0|1,0,2]=4 1906 B10R0.19 CCNC(=O)C(C)NCC=O 2230a_100000736553_200015260668 [0,1,0,0,0,0|3,0,0]=4 1907 B10R0.19 CCNC(=O)C(C)NCC=O 34a_100000736553_200009817547 [0,1,0,0,0,0|3,0,0]=4 1908 B10R0.19 CCNC(=O)C(C)SCC=O 62a_100000230173_200015260668 [0,1,0,0,0,0|3,0,0]=4 1909 B10R0.19 CCNC(=O)C(C)SCC=O 62a_200015260668_100000230173 [0,1,0,0,0,0|3,0,0]=4 1910 B10R0.19 CCNC(=O)C(O)CCSC 240690a_100015525214_100000685904 [0,1,0,0,0,0|2,0,1]=4 1911 B10R0.19 CCOC(=O)C(C)NCCF 34a_100000724931_100011216346 [0,1,0,0,0,0|2,0,1]=4 1912 B10R0.19 CCOC(=O)C(C)NCCO 2230a_100016997473_100011215307 [0,1,0,0,0,0|2,0,1]=4 1913 B10R0.19 CCOC(=O)C(C)NCCO 34a_100016990907_100011216346 [0,1,0,0,0,0|2,0,1]=4 1914 B10R0.19 CCOC(=O)C(C)OCCBr 34a_100000211926_100011216346 [0,1,0,0,0,0|2,0,1]=4 1915 B10R0.19 CCOC(=O)C(C)OCCN 34a_100000210304_100011216346 [0,1,0,0,0,0|2,0,1]=4 1916 B10R0.19 CCOC(=O)C(C)SCC#N 62a_100011215382_100011216346 [0,1,0,0,0,0|2,0,1]=4 1917 B10R0.19 CCOC(=O)C(C)SCC#N 62a_100011216346_100011215382 [0,1,0,0,0,0|2,0,1]=4 1918 B10R0.19 CCOC(=O)C(C)SCC=O 62a_100011216346_200015260668 [0,1,0,0,0,0|2,0,0]=3 1919 B10R0.19 CCOC(=O)C(C)SCC=O 62a_200015260668_100011216346 [0,1,0,0,0,0|2,0,0]=3 1920 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011216346_100011217306 [0,1,0,0,0,0|2,0,1]=4 1921 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011217306_100011216346 [0,1,0,0,0,0|2,0,1]=4 1922 B10R0.19 CCOC(=O)C(C)SCCO 62a_100000211926_100011216346 [0,1,0,0,0,0|2,0,1]=4 1923 B10R0.19 CCOC(=O)C(C)SCCO 62a_100011216346_100000211926 [0,1,0,0,0,0|2,0,1]=4 1924 B10R0.19 CCOC(=O)C(C)SCOC 62a_100000766300_100011216346 [0,1,0,0,0,0|2,0,1]=4 1925 B10R0.19 CCOC(=O)C(C)SCOC 62a_100011216346_100000766300 [0,1,0,0,0,0|2,0,1]=4 1926 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011216346_100011218213 [0,1,0,0,0,0|2,0,1]=4 1927 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011218213_100011216346 [0,1,0,0,0,0|2,0,1]=4 1928 B10R0.19 CCOC(=O)C(F)NCCF 34a_100000724931_100000760018 [0,1,0,0,0,0|2,0,1]=4 1929 B10R0.19 CCOC(=O)C(F)NCCO 2230a_100016997473_100000760018 [0,1,0,0,0,0|2,0,1]=4 1930 B10R0.19 CCOC(=O)C(F)NCCO 34a_100016990907_100000760018 [0,1,0,0,0,0|2,0,1]=4 1931 B10R0.19 CCOC(=O)C(F)OCCBr 34a_100000211926_100000760018 [0,1,0,0,0,0|2,0,1]=4 1932 B10R0.19 CCOC(=O)C(F)OCCN 34a_100000210304_100000760018 [0,1,0,0,0,0|2,0,1]=4 1933 B10R0.19 CCOC(=O)C(F)SCC#N 62a_100000760018_100011215382 [0,1,0,0,0,0|2,0,1]=4 1934 B10R0.19 CCOC(=O)C(F)SCC#N 62a_100011215382_100000760018 [0,1,0,0,0,0|2,0,1]=4 1935 B10R0.19 CCOC(=O)C(F)SCC=O 62a_100000760018_200015260668 [0,1,0,0,0,0|2,0,0]=3 1936 B10R0.19 CCOC(=O)C(F)SCC=O 62a_200015260668_100000760018 [0,1,0,0,0,0|2,0,0]=3 1937 B10R0.19 CCOC(=O)C(F)SCCF 62a_100000760018_100011217306 [0,1,0,0,0,0|2,0,1]=4 1938 B10R0.19 CCOC(=O)C(F)SCCF 62a_100011217306_100000760018 [0,1,0,0,0,0|2,0,1]=4 1939 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000211926_100000760018 [0,1,0,0,0,0|2,0,1]=4 1940 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000760018_100000211926 [0,1,0,0,0,0|2,0,1]=4 1941 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000760018_100000766300 [0,1,0,0,0,0|2,0,1]=4 1942 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000766300_100000760018 [0,1,0,0,0,0|2,0,1]=4 1943 B10R0.19 CCOC(=O)C(F)SCSC 62a_100000760018_100011218213 [0,1,0,0,0,0|2,0,1]=4 1944 B10R0.19 CCOC(=O)C(F)SCSC 62a_100011218213_100000760018 [0,1,0,0,0,0|2,0,1]=4 1945 B10R0.19 CCOC(=O)[C@H](C)OCC#N 7a_100000751109_100011215382 [0,1,0,0,0,0|2,0,1]=4 1946 B10R0.19 CCOC(=O)[C@H](C)OCC=O 7a_100000751109_200015260668 [0,1,0,0,0,0|2,0,0]=3 1947 B10R0.19 CCOC(=O)[C@H](C)OCCF 7a_100000751109_100011217306 [0,1,0,0,0,0|2,0,1]=4 1948 B10R0.19 CCOC(=O)[C@H](C)OCCO 7a_100000751109_100000211926 [0,1,0,0,0,0|2,0,1]=4 1949 B10R0.19 CCSC(=O)[C@H](C)NCC=O 2230a_100103168634_200015260668 [0,1,0,0,0,0|2,1,0]=4 1950 B10R0.24 C=CCCCN(CC)CCC 2230a_100000226822_100011713584 [0,1,0,0,0,0|3,0,0]=4 1951 B10R0.24 C=CCCCN(CC)CCC 269982a_100000226822_100000757094 [0,1,0,0,0,0|3,0,0]=4 1952 B10R0.24 C=CCNCC(CC)OCC 2230a_100015183923_100000210623 [0,1,0,0,0,0|2,0,1]=4 1953 B10R0.24 C=CCNCC(CC)OCC 34a_100015183923_100015514636 [0,1,0,0,0,0|2,0,1]=4 1954 B10R0.83 C#CC(C)C(=O)CCCC=C 1458a_100000766728_200000035995 [0,1,0,0,0,0|1,0,2]=4 1955 B10R0.83 C#CCCCC(=O)C(C)CC 1458a_100000690238_100000758301 [0,1,0,0,0,0|1,0,2]=4 1956 B10R0.83 C#CCCCC(=O)C(C)CC 1458a_100011192722_100000731252 [0,1,0,0,0,0|1,0,2]=4 1957 B10R0.83 C#CCCCC(=O)C(O)CC 1458a_100011196387_100000731252 [0,1,0,0,0,0|1,0,2]=4 1958 B10R0.83 C#CCCCC(=O)N(C)CC 11a_100000225621_100000690238 [0,1,0,0,0,0|1,0,2]=4 1959 B10R0.83 C#CCCCC(=O)N(C)CC 1626a_100000225621_100000690238 [0,1,0,0,0,0|1,0,2]=4 1960 B10R0.83 C#CCCCC(=O)N(C)CC 240690a_100000225621_100000690238 [0,1,0,0,0,0|1,0,2]=4 1961 B10R0.83 C#CCCCC(=O)N(C)CC 527a_100000225621_100000690238 [0,1,0,0,0,0|1,0,2]=4 1962 B10R0.83 C=CCCCC(=O)/C(=C/C)/C 1458a_100020587367_100000757094 [0,1,0,0,0,0|1,0,1]=3 1963 B10R0.83 C=CCCCC(=O)C(=O)NC 1458a_100011218921_100000757094 [0,1,0,0,0,0|2,0,0]=3 1964 B10R0.83 C=CCCCC(=O)C(C)C#N 1458a_100000753662_100000757094 [0,1,0,0,0,0|2,0,1]=4 1965 B10R0.83 C=CCCCC(=O)C(C)C#N 1458a_100000766728_100000703298 [0,1,0,0,0,0|2,0,1]=4 1966 B10R0.83 C=CCCCC(=O)C(C)C=C 1458a_100011216780_100000757094 [0,1,0,0,0,0|1,0,2]=4 1967 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100000766728_100000758301 [0,1,0,0,0,0|1,0,0]=2 1968 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100011192722_100000757094 [0,1,0,0,0,0|1,0,0]=2 1969 B10R0.83 C=CCCCC(=O)C(C)OC 1458a_100000743197_100000757094 [0,1,0,0,0,0|2,0,0]=3 1970 B10R0.83 C=CCCCC(=O)C(C)SC 1458a_100000149566_100000757094 [0,1,0,0,0,0|2,0,0]=3 1971 B10R0.83 C=CCCCC(=O)C(O)CC 1458a_100011196387_100000757094 [0,1,0,0,0,0|1,0,0]=2 1972 B10R0.83 C=CCCCC(=O)C(O)CO 1458a_100011215603_100000757094 [0,1,0,0,0,0|2,0,0]=3 1973 B10R0.83 C=CCCCC(=O)N(C)CC 11a_100000225621_100000766728 [0,1,0,0,0,0|1,0,0]=2 1974 B10R0.83 C=CCCCC(=O)N(C)CC 1626a_100000225621_100000766728 [0,1,0,0,0,0|1,0,0]=2 1975 B10R0.83 C=CCCCC(=O)N(C)CC 240690a_100000225621_100000766728 [0,1,0,0,0,0|1,0,0]=2 1976 B10R0.83 C=CCCCC(=O)N(C)CC 527a_100000225621_100000766728 [0,1,0,0,0,0|1,0,0]=2 1977 B10R0.83 C=CCCCN(C)C(C)CC 2230a_100000741768_100011713584 [0,1,0,0,0,0|3,0,0]=4 1978 B10R0.83 C=CCCCN(C)C(C)CC 269982a_100000741768_100000757094 [0,1,0,0,0,0|3,0,0]=4 1979 B10R0.83 C=CCCNC(=O)/C(=C/C)/C 11a_100015191253_100020587367 [0,1,0,0,0,0|2,0,1]=4 1980 B10R0.83 C=CCCNC(=O)/C(=C/C)/C 1626a_100015191253_100020587367 [0,1,0,0,0,0|2,0,1]=4 1981 B10R0.83 C=CCCNC(=O)C(=O)NC 1626a_100015191253_100011218921 [0,1,0,0,0,0|3,0,0]=4 1982 B10R0.83 C=CCCNC(=O)C(=O)NC 240690a_100015191253_100011218921 [0,1,0,0,0,0|3,0,0]=4 1983 B10R0.83 C=CCCNC(=O)C(=O)NC 527a_100015191253_100011218921 [0,1,0,0,0,0|3,0,0]=4 1984 B10R0.83 C=CCCNC(=O)C(=O)OC 11a_100015191253_100000024059 [0,1,0,0,0,0|3,0,0]=4 1985 B10R0.83 C=CCCNC(=O)C(=O)OC 1626a_100015191253_100000024059 [0,1,0,0,0,0|3,0,0]=4 1986 B10R0.83 C=CCCNC(=O)C(=O)OC 240690a_100015191253_100000024059 [0,1,0,0,0,0|3,0,0]=4 1987 B10R0.83 C=CCCNC(=O)C(=O)OC 527a_100015191253_100000024059 [0,1,0,0,0,0|3,0,0]=4 1988 B10R0.83 C=CCCNC(=O)C(C)CC 11a_100015191253_100011192722 [0,1,0,0,0,0|2,0,0]=3 1989 B10R0.83 C=CCCNC(=O)C(C)CC 1626a_100015191253_100011192722 [0,1,0,0,0,0|2,0,0]=3 1990 B10R0.83 C=CCCNC(=O)C(C)CC 240690a_100015191253_100011192722 [0,1,0,0,0,0|2,0,0]=3 1991 B10R0.83 C=CCCNC(=O)C(C)CC 527a_100015191253_100011192722 [0,1,0,0,0,0|2,0,0]=3 1992 B10R0.83 C=CCCNC(=O)C(C)OC 11a_100015191253_100000743197 [0,1,0,0,0,0|3,0,0]=4 1993 B10R0.83 C=CCCNC(=O)C(C)OC 1626a_100015191253_100000743197 [0,1,0,0,0,0|3,0,0]=4 1994 B10R0.83 C=CCCNC(=O)C(C)OC 240690a_100015191253_100000743197 [0,1,0,0,0,0|3,0,0]=4 1995 B10R0.83 C=CCCNC(=O)C(C)OC 527a_100015191253_100000743197 [0,1,0,0,0,0|3,0,0]=4 1996 B10R0.83 C=CCCNC(=O)C(C)SC 11a_100015191253_100000149566 [0,1,0,0,0,0|3,0,0]=4 1997 B10R0.83 C=CCCNC(=O)C(C)SC 1626a_100015191253_100000149566 [0,1,0,0,0,0|3,0,0]=4 1998 B10R0.83 C=CCCNC(=O)C(C)SC 240690a_100015191253_100000149566 [0,1,0,0,0,0|3,0,0]=4 1999 B10R0.83 C=CCCNC(=O)C(C)SC 527a_100015191253_100000149566 [0,1,0,0,0,0|3,0,0]=4 2000 B10R0.83 C=CCCNC(=O)C(O)CC 240690a_100015191253_100011196387 [0,1,0,0,0,0|2,0,0]=3 2001 B10R0.83 C=CCCNC(=O)C(O)CO 240690a_100015191253_100011215603 [0,1,0,0,0,0|3,0,0]=4 2002 B10R0.83 C=CCCNC(=O)N(C)CC 2708a_100015191253_100000225621 [0,1,0,0,0,0|2,0,0]=3 2003 B10R0.83 C=CCCNC(=O)N(C)CC 273464a_100015191253_100000225621 [0,1,0,0,0,0|2,0,0]=3 2004 B10R0.83 C=CCNCC(=O)N(C)CC 2230a_100020586998_100000738999 [0,1,0,0,0,0|2,0,0]=3 2005 B10R0.83 C=CCNCC(=O)N(C)OC 2230a_100015207273_100000210623 [0,1,0,0,0,0|3,0,0]=4 2006 B10R0.83 C=CCNCC(=O)N(C)OC 2230a_100020586998_100000764215 [0,1,0,0,0,0|3,0,0]=4 2007 B10R0.83 C=CCNNC(=O)C(C)CC 22a_100020588587_100011192722 [0,1,0,0,0,0|3,0,0]=4 2008 B10R0.83 C=CCNNC(=O)C(O)CC 22a_100020588587_100011196387 [0,1,0,0,0,0|3,0,0]=4 2009 B10R0.83 C=CCOCC(=O)C(=O)OC 34a_200000210373_100011610305 [0,1,0,0,0,0|3,0,0]=4 2010 B10R0.83 C=CCOCC(=O)N(C)CC 34a_200000210373_100000738999 [0,1,0,0,0,0|2,0,0]=3 2011 B10R0.83 C=CCSCC(=O)C(=O)OC 62a_100000210623_100011610305 [0,1,0,0,0,0|3,0,0]=4 2012 B10R0.83 C=CCSCC(=O)C(=O)OC 62a_100011610305_100000210623 [0,1,0,0,0,0|3,0,0]=4 2013 B10R0.83 C=CCSCC(=O)C(C)CC 1458a_100000230395_100000758301 [0,1,0,0,0,0|2,0,0]=3 2014 B10R0.83 C=CCSCC(=O)N(C)CC 11a_100000225621_100000230395 [0,1,0,0,0,0|2,0,0]=3 2015 B10R0.83 C=CCSCC(=O)N(C)CC 1626a_100000225621_100000230395 [0,1,0,0,0,0|2,0,0]=3 2016 B10R0.83 C=CCSCC(=O)N(C)CC 240690a_100000225621_100000230395 [0,1,0,0,0,0|2,0,0]=3 2017 B10R0.83 C=CCSCC(=O)N(C)CC 527a_100000225621_100000230395 [0,1,0,0,0,0|2,0,0]=3 2018 B10R0.83 C=CCSCC(=O)N(C)CC 62a_100000210623_100000738999 [0,1,0,0,0,0|2,0,0]=3 2019 B10R0.83 C=CCSCC(=O)N(C)CC 62a_100000738999_100000210623 [0,1,0,0,0,0|2,0,0]=3 2020 B10R0.83 C=CCSCC(=O)N(C)OC 62a_100000210623_100000764215 [0,1,0,0,0,0|3,0,0]=4 2021 B10R0.83 C=CCSCC(=O)N(C)OC 62a_100000764215_100000210623 [0,1,0,0,0,0|3,0,0]=4 2022 B10R0.83 C=COCCC(=O)/C(=C/C)/C 1458a_100020587367_100000039644 [0,1,0,0,0,0|2,0,1]=4 2023 B10R0.83 C=COCCC(=O)C(=O)NC 1458a_100011218921_100000039644 [0,1,0,0,0,0|3,0,0]=4 2024 B10R0.83 C=COCCC(=O)C(C)CC 1458a_100011192722_100000039644 [0,1,0,0,0,0|2,0,0]=3 2025 B10R0.83 C=COCCC(=O)C(C)OC 1458a_100000743197_100000039644 [0,1,0,0,0,0|3,0,0]=4 2026 B10R0.83 C=COCCC(=O)C(C)SC 1458a_100000149566_100000039644 [0,1,0,0,0,0|3,0,0]=4 2027 B10R0.83 C=COCCC(=O)C(O)CC 1458a_100011196387_100000039644 [0,1,0,0,0,0|2,0,0]=3 2028 B10R0.83 C=COCCC(=O)C(O)CO 1458a_100011215603_100000039644 [0,1,0,0,0,0|3,0,0]=4 2029 B10R0.83 CCC(C)C(=O)CCCC#N 1458a_100000075515_100000758301 [0,1,0,0,0,0|2,0,1]=4 2030 B10R0.83 CCC(C)C(=O)CCCC#N 1458a_100011192722_100000211468 [0,1,0,0,0,0|2,0,1]=4 2031 B10R0.83 CCC(C)C(=O)CCCCF 1458a_100011192722_100000729493 [0,1,0,0,0,0|2,0,1]=4 2032 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [0,1,0,0,0,0|2,0,1]=4 2033 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [0,1,0,0,0,0|2,0,1]=4 2034 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [0,1,0,0,0,0|2,0,1]=4 2035 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [0,1,0,0,0,0|2,0,1]=4 2036 B10R0.83 CCC(C)C(=O)CCCSC 1458a_100000173376_100000758301 [0,1,0,0,0,0|2,0,1]=4 2037 B10R0.83 CCC(O)C(=O)CCCC#N 1458a_100011196387_100000211468 [0,1,0,0,0,0|2,0,1]=4 2038 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [0,1,0,0,0,0|2,0,1]=4 2039 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [0,1,0,0,0,0|2,0,1]=4 2040 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [0,1,0,0,0,0|2,0,1]=4 2041 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [0,1,0,0,0,0|1,0,2]=4 2042 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [0,1,0,0,0,0|1,0,2]=4 2043 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,1,0,0,0,0|1,0,2]=4 2044 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [0,1,0,0,0,0|1,0,2]=4 2045 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [0,1,0,0,0,0|1,0,2]=4 2046 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [0,1,0,0,0,0|1,0,2]=4 2047 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [0,1,0,0,0,0|1,0,2]=4 2048 B10R0.83 CCN(C)C(=O)CCCC#N 11a_100000225621_100000075515 [0,1,0,0,0,0|2,0,1]=4 2049 B10R0.83 CCN(C)C(=O)CCCC#N 1626a_100000225621_100000075515 [0,1,0,0,0,0|2,0,1]=4 2050 B10R0.83 CCN(C)C(=O)CCCC#N 240690a_100000225621_100000075515 [0,1,0,0,0,0|2,0,1]=4 2051 B10R0.83 CCN(C)C(=O)CCCC#N 527a_100000225621_100000075515 [0,1,0,0,0,0|2,0,1]=4 2052 B10R0.83 CCN(C)C(=O)CCCCO 1626a_100000225621_100000695505 [0,1,0,0,0,0|2,0,1]=4 2053 B10R0.83 CCN(C)C(=O)CCCOC 11a_100000225621_100000741012 [0,1,0,0,0,0|2,0,1]=4 2054 B10R0.83 CCN(C)C(=O)CCCOC 1626a_100000225621_100000741012 [0,1,0,0,0,0|2,0,1]=4 2055 B10R0.83 CCN(C)C(=O)CCCOC 240690a_100000225621_100000741012 [0,1,0,0,0,0|2,0,1]=4 2056 B10R0.83 CCN(C)C(=O)CCCOC 527a_100000225621_100000741012 [0,1,0,0,0,0|2,0,1]=4 2057 B10R0.83 CCN(C)C(=O)CCCSC 11a_100000225621_100000173376 [0,1,0,0,0,0|2,0,1]=4 2058 B10R0.83 CCN(C)C(=O)CCCSC 1626a_100000225621_100000173376 [0,1,0,0,0,0|2,0,1]=4 2059 B10R0.83 CCN(C)C(=O)CCCSC 240690a_100000225621_100000173376 [0,1,0,0,0,0|2,0,1]=4 2060 B10R0.83 CCN(C)C(=O)CCCSC 527a_100000225621_100000173376 [0,1,0,0,0,0|2,0,1]=4 2061 B10R0.83 CCN(C)C(=O)CSCC=O 62a_100000738999_200015260668 [0,1,0,0,0,0|3,0,0]=4 2062 B10R0.83 CCN(C)C(=O)CSCC=O 62a_200015260668_100000738999 [0,1,0,0,0,0|3,0,0]=4 2063 B10R0.91 C#CCCC(=O)CCCC=C 1458a_100000692101_100000757094 [0,1,0,0,0,0|1,0,1]=3 2064 B10R0.91 C#CCCC(=O)CCCC=C 1458a_100000766728_100000753159 [0,1,0,0,0,0|1,0,1]=3 2065 B10R0.91 C#CCCC(=O)CCOC=C 1458a_100000692101_100000039644 [0,1,0,0,0,0|2,0,1]=4 2066 B10R0.91 C#CCCC(=O)CSCC=C 1458a_100000230395_100000753159 [0,1,0,0,0,0|2,0,1]=4 2067 B10R0.91 C#CCCC(=O)NCCC=C 11a_100015191253_100000692101 [0,1,0,0,0,0|2,0,1]=4 2068 B10R0.91 C#CCCC(=O)NCCC=C 1626a_100015191253_100000692101 [0,1,0,0,0,0|2,0,1]=4 2069 B10R0.91 C#CCCC(=O)NCCC=C 240690a_100015191253_100000692101 [0,1,0,0,0,0|2,0,1]=4 2070 B10R0.91 C#CCCC(=O)NCCC=C 527a_100015191253_100000692101 [0,1,0,0,0,0|2,0,1]=4 2071 B10R0.91 C#CCCCC(=O)C#CCC 1458a_100011827653_100000731252 [0,1,0,0,0,0|1,0,2]=4 2072 B10R0.91 C#CCCCC(=O)C=CCC 1458a_100000212282_100000731252 [0,1,0,0,0,0|1,0,2]=4 2073 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000210183_100000731252 [0,1,0,0,0,0|1,0,2]=4 2074 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000690238_100000210211 [0,1,0,0,0,0|1,0,2]=4 2075 B10R0.91 C#CCCCC(=O)CCCF 1458a_100000690238_100011934791 [0,1,0,0,0,0|1,0,2]=4 2076 B10R0.91 C#CCCCC(=O)CCCO 1458a_100000690238_100011215043 [0,1,0,0,0,0|1,0,2]=4 2077 B10R0.91 C#CCCCC(=O)CCOC 1458a_100000690238_100000233755 [0,1,0,0,0,0|1,0,2]=4 2078 B10R0.91 C#CCCCC(=O)CCOC 1458a_100000749529_100000731252 [0,1,0,0,0,0|1,0,2]=4 2079 B10R0.91 C#CCCCC(=O)CCSC 1458a_100000174002_100000731252 [0,1,0,0,0,0|1,0,2]=4 2080 B10R0.91 C#CCCCC(=O)CCSC 1458a_100000690238_100000751147 [0,1,0,0,0,0|1,0,2]=4 2081 B10R0.91 C#CCCCC(=O)COCC 1458a_100000211967_100000731252 [0,1,0,0,0,0|0,0,2]=3 2082 B10R0.91 C#CCCCC(=O)CSCC 1458a_100000230394_100000731252 [0,1,0,0,0,0|0,1,2]=4 2083 B10R0.91 C#CCCCC(=O)NCCC 11a_100020643023_100000690238 [0,1,0,0,0,0|1,0,2]=4 2084 B10R0.91 C#CCCCC(=O)NCCC 1626a_100020643023_100000690238 [0,1,0,0,0,0|1,0,2]=4 2085 B10R0.91 C#CCCCC(=O)NCCC 240690a_100020643023_100000690238 [0,1,0,0,0,0|1,0,2]=4 2086 B10R0.91 C#CCCCC(=O)NCCC 527a_100020643023_100000690238 [0,1,0,0,0,0|1,0,2]=4 2087 B10R0.91 C#CCCCC(=O)NCCF 11a_100000724931_100000690238 [0,1,0,0,0,0|1,0,2]=4 2088 B10R0.91 C#CCCCC(=O)NCCF 1626a_100000724931_100000690238 [0,1,0,0,0,0|1,0,2]=4 2089 B10R0.91 C#CCCCC(=O)NCCF 240690a_100000724931_100000690238 [0,1,0,0,0,0|1,0,2]=4 2090 B10R0.91 C#CCCCC(=O)NCCF 527a_100000724931_100000690238 [0,1,0,0,0,0|1,0,2]=4 2091 B10R0.91 C#CCCCC(=O)NCCO 240690a_100000210304_100000690238 [0,1,0,0,0,0|1,0,2]=4 2092 B10R0.91 C#CCCCC(=O)NCCO 527a_100000210304_100000690238 [0,1,0,0,0,0|1,0,2]=4 2093 B10R0.91 C#CCCCC(=O)NNCC 22a_100000756455_100000690238 [0,1,0,0,0,0|1,0,2]=4 2094 B10R0.91 C#CCCNC(=O)COCC 11a_100000755551_100000211967 [0,1,0,0,0,0|1,0,2]=4 2095 B10R0.91 C#CCCNC(=O)COCC 1626a_100000755551_100000211967 [0,1,0,0,0,0|1,0,2]=4 2096 B10R0.91 C#CCCNC(=O)COCC 240690a_100000755551_100000211967 [0,1,0,0,0,0|1,0,2]=4 2097 B10R0.91 C#CCCNC(=O)COCC 527a_100000755551_100000211967 [0,1,0,0,0,0|1,0,2]=4 2098 B10R0.91 C#CCNC(=O)CCCC=C 11a_100000212058_100000766728 [0,1,0,0,0,0|1,0,1]=3 2099 B10R0.91 C#CCNC(=O)CCCC=C 1626a_100000212058_100000766728 [0,1,0,0,0,0|1,0,1]=3 2100 B10R0.91 C#CCNC(=O)CCCC=C 240690a_100000212058_100000766728 [0,1,0,0,0,0|1,0,1]=3 2101 B10R0.91 C#CCNC(=O)CCCC=C 527a_100000212058_100000766728 [0,1,0,0,0,0|1,0,1]=3 2102 B10R0.91 C#CCNC(=O)CNCC=C 2230a_100000747989_100000210623 [0,1,0,0,0,0|2,0,1]=4 2103 B10R0.91 C#CCNC(=O)CNCC=C 34a_100000747989_100015514636 [0,1,0,0,0,0|2,0,1]=4 2104 B10R0.91 C#CCNC(=O)CSCC=C 11a_100000212058_100000230395 [0,1,0,0,0,0|2,0,1]=4 2105 B10R0.91 C#CCNC(=O)CSCC=C 1626a_100000212058_100000230395 [0,1,0,0,0,0|2,0,1]=4 2106 B10R0.91 C#CCNC(=O)CSCC=C 240690a_100000212058_100000230395 [0,1,0,0,0,0|2,0,1]=4 2107 B10R0.91 C#CCNC(=O)CSCC=C 527a_100000212058_100000230395 [0,1,0,0,0,0|2,0,1]=4 2108 B10R0.91 C#CCNC(=O)NCCC=C 2708a_100000212058_100015191253 [0,1,0,0,0,0|2,0,1]=4 2109 B10R0.91 C#CCNC(=O)NCCC=C 2708a_100015191253_100000212058 [0,1,0,0,0,0|2,0,1]=4 2110 B10R0.91 C#CCNC(=O)NCCC=C 273464a_100000212058_100015191253 [0,1,0,0,0,0|2,0,1]=4 2111 B10R0.91 C#CCNC(=O)NCCC=C 273464a_100015191253_100000212058 [0,1,0,0,0,0|2,0,1]=4 2112 B10R0.91 C#CCNC(=O)NCCC=C 512a_100000212058_100015191253 [0,1,0,0,0,0|2,0,1]=4 2113 B10R0.91 C#CCNC(=O)NCCC=C 512a_100015191253_100000212058 [0,1,0,0,0,0|2,0,1]=4 2114 B10R0.91 C#CCNCC(=O)OCCC 34a_100000212058_200011215008 [0,1,0,0,0,0|1,0,2]=4 2115 B10R0.91 C#CCOCC(=O)OCCC 34a_100000210247_200011215008 [0,1,0,0,0,0|1,0,2]=4 2116 B10R0.91 C#CCSCC(=O)OCCC 62a_100000038162_200011215008 [0,1,0,0,0,0|1,0,2]=4 2117 B10R0.91 C=C(CSCC=O)OCOC 62a_100000042856_200015260668 [0,1,0,0,0,0|3,0,0]=4 2118 B10R0.91 C=C(CSCC=O)OCOC 62a_200015260668_100000042856 [0,1,0,0,0,0|3,0,0]=4 2119 B10R0.91 C=CC=CC(=O)CCCC=C 1458a_100016291481_100000757094 [0,1,0,0,0,0|1,0,2]=4 2120 B10R0.91 C=CCCC(=O)CCOC=C 1458a_100000749702_100000039644 [0,1,0,0,0,0|2,0,1]=4 2121 B10R0.91 C=CCCC(=O)CSCC=C 1458a_100000230395_100000754431 [0,1,0,0,0,0|2,0,1]=4 2122 B10R0.91 C=CCCCC(=O)C#CCC 1458a_100011827653_100000757094 [0,1,0,0,0,0|1,0,0]=2 2123 B10R0.91 C=CCCCC(=O)C#CCO 1458a_100000049017_100000757094 [0,1,0,0,0,0|1,0,1]=3 2124 B10R0.91 C=CCCCC(=O)C/C=C/C 1458a_100000766728_100102629194 [0,1,0,0,0,0|1,0,1]=3 2125 B10R0.91 C=CCCCC(=O)C=CCC 1458a_100000212282_100000757094 [0,1,0,0,0,0|1,0,0]=2 2126 B10R0.91 C=CCCCC(=O)C=COC 1458a_100016268678_100000757094 [0,1,0,0,0,0|1,0,1]=3 2127 B10R0.91 C=CCCCC(=O)CC#CC 1458a_100000766728_100000748600 [0,1,0,0,0,0|1,0,1]=3 2128 B10R0.91 C=CCCCC(=O)CC=CC 1458a_100000766728_100000070051 [0,1,0,0,0,0|1,0,1]=3 2129 B10R0.91 C=CCCCC(=O)CC=CC 1458a_100121576822_100000757094 [0,1,0,0,0,0|1,0,1]=3 2130 B10R0.91 C=CCCCC(=O)CCC#N 1458a_100000766728_100011215226 [0,1,0,0,0,0|1,0,1]=3 2131 B10R0.91 C=CCCCC(=O)CCC#N 1458a_100011934036_100000757094 [0,1,0,0,0,0|1,0,1]=3 2132 B10R0.91 C=CCCCC(=O)CCC=C 1458a_100000749702_100000757094 [0,1,0,0,0,0|1,0,1]=3 2133 B10R0.91 C=CCCCC(=O)CCC=C 1458a_100000766728_100000754431 [0,1,0,0,0,0|1,0,1]=3 2134 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [0,1,0,0,0,0|1,0,0]=2 2135 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [0,1,0,0,0,0|1,0,0]=2 2136 B10R0.91 C=CCCCC(=O)CCCF 1458a_100000766728_100011934791 [0,1,0,0,0,0|1,0,0]=2 2137 B10R0.91 C=CCCCC(=O)CCCO 1458a_100000766728_100011215043 [0,1,0,0,0,0|1,0,0]=2 2138 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000749529_100000757094 [0,1,0,0,0,0|1,0,0]=2 2139 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000766728_100000233755 [0,1,0,0,0,0|1,0,0]=2 2140 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000174002_100000757094 [0,1,0,0,0,0|1,0,0]=2 2141 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000766728_100000751147 [0,1,0,0,0,0|1,0,0]=2 2142 B10R0.91 C=CCCCC(=O)COCC 1458a_100000211967_100000757094 [0,1,0,0,0,0|0,0,0]=1 2143 B10R0.91 C=CCCCC(=O)CSCC 1458a_100000230394_100000757094 [0,1,0,0,0,0|0,1,0]=2 2144 B10R0.91 C=CCCCC(=O)NCC#N 1626a_100000734998_100000766728 [0,1,0,0,0,0|1,0,1]=3 2145 B10R0.91 C=CCCCC(=O)NCC#N 527a_100000734998_100000766728 [0,1,0,0,0,0|1,0,1]=3 2146 B10R0.91 C=CCCCC(=O)NCC=C 1626a_100020586998_100000766728 [0,1,0,0,0,0|1,0,1]=3 2147 B10R0.91 C=CCCCC(=O)NCC=C 240690a_100020586998_100000766728 [0,1,0,0,0,0|1,0,1]=3 2148 B10R0.91 C=CCCCC(=O)NCC=C 527a_100020586998_100000766728 [0,1,0,0,0,0|1,0,1]=3 2149 B10R0.91 C=CCCCC(=O)NCCC 11a_100020643023_100000766728 [0,1,0,0,0,0|1,0,0]=2 2150 B10R0.91 C=CCCCC(=O)NCCC 1626a_100020643023_100000766728 [0,1,0,0,0,0|1,0,0]=2 2151 B10R0.91 C=CCCCC(=O)NCCC 240690a_100020643023_100000766728 [0,1,0,0,0,0|1,0,0]=2 2152 B10R0.91 C=CCCCC(=O)NCCC 527a_100020643023_100000766728 [0,1,0,0,0,0|1,0,0]=2 2153 B10R0.91 C=CCCCC(=O)NCCF 11a_100000724931_100000766728 [0,1,0,0,0,0|1,0,0]=2 2154 B10R0.91 C=CCCCC(=O)NCCF 1626a_100000724931_100000766728 [0,1,0,0,0,0|1,0,0]=2 2155 B10R0.91 C=CCCCC(=O)NCCF 240690a_100000724931_100000766728 [0,1,0,0,0,0|1,0,0]=2 2156 B10R0.91 C=CCCCC(=O)NCCF 527a_100000724931_100000766728 [0,1,0,0,0,0|1,0,0]=2 2157 B10R0.91 C=CCCCC(=O)NCCO 240690a_100000210304_100000766728 [0,1,0,0,0,0|1,0,0]=2 2158 B10R0.91 C=CCCCC(=O)NCCO 527a_100000210304_100000766728 [0,1,0,0,0,0|1,0,0]=2 2159 B10R0.91 C=CCCCC(=O)NNCC 22a_100000756455_100000766728 [0,1,0,0,0,0|1,0,0]=2 2160 B10R0.91 C=CCCCN(C)CCCC 2230a_100000207549_100011713584 [0,1,0,0,0,0|3,0,0]=4 2161 B10R0.91 C=CCCCN(C)CCCC 269982a_100000207549_100000757094 [0,1,0,0,0,0|3,0,0]=4 2162 B10R0.91 C=CCCCN(C)CCCO 2230a_100000213112_100011713584 [0,1,0,0,0,0|3,0,0]=4 2163 B10R0.91 C=CCCCN(C)CCCO 269982a_100000213112_100000757094 [0,1,0,0,0,0|3,0,0]=4 2164 B10R0.91 C=CCCCN(C)CCOC 2230a_100000743101_100011713584 [0,1,0,0,0,0|3,0,0]=4 2165 B10R0.91 C=CCCCN(C)CCOC 269982a_100000743101_100000757094 [0,1,0,0,0,0|3,0,0]=4 2166 B10R0.91 C=CCCCN(C)CCSC 2230a_100000686725_100011713584 [0,1,0,0,0,0|3,0,0]=4 2167 B10R0.91 C=CCCCN(C)CCSC 269982a_100000686725_100000757094 [0,1,0,0,0,0|3,0,0]=4 2168 B10R0.91 C=CCCNC(=O)C=CCC 11a_100015191253_100000212282 [0,1,0,0,0,0|2,0,0]=3 2169 B10R0.91 C=CCCNC(=O)C=CCC 1626a_100015191253_100000212282 [0,1,0,0,0,0|2,0,0]=3 2170 B10R0.91 C=CCCNC(=O)C=CCC 240690a_100015191253_100000212282 [0,1,0,0,0,0|2,0,0]=3 2171 B10R0.91 C=CCCNC(=O)C=COC 1626a_100015191253_100016268678 [0,1,0,0,0,0|2,0,1]=4 2172 B10R0.91 C=CCCNC(=O)C=COC 240690a_100015191253_100016268678 [0,1,0,0,0,0|2,0,1]=4 2173 B10R0.91 C=CCCNC(=O)CC=CC 11a_100015191253_100121576822 [0,1,0,0,0,0|2,0,1]=4 2174 B10R0.91 C=CCCNC(=O)CC=CC 1626a_100015191253_100121576822 [0,1,0,0,0,0|2,0,1]=4 2175 B10R0.91 C=CCCNC(=O)CC=CC 240690a_100015191253_100121576822 [0,1,0,0,0,0|2,0,1]=4 2176 B10R0.91 C=CCCNC(=O)CC=CC 527a_100015191253_100121576822 [0,1,0,0,0,0|2,0,1]=4 2177 B10R0.91 C=CCCNC(=O)CCC#N 11a_100015191253_100011934036 [0,1,0,0,0,0|2,0,1]=4 2178 B10R0.91 C=CCCNC(=O)CCC#N 1626a_100015191253_100011934036 [0,1,0,0,0,0|2,0,1]=4 2179 B10R0.91 C=CCCNC(=O)CCC#N 240690a_100015191253_100011934036 [0,1,0,0,0,0|2,0,1]=4 2180 B10R0.91 C=CCCNC(=O)CCC#N 527a_100015191253_100011934036 [0,1,0,0,0,0|2,0,1]=4 2181 B10R0.91 C=CCCNC(=O)CCC=C 11a_100015191253_100000749702 [0,1,0,0,0,0|2,0,1]=4 2182 B10R0.91 C=CCCNC(=O)CCC=C 1626a_100015191253_100000749702 [0,1,0,0,0,0|2,0,1]=4 2183 B10R0.91 C=CCCNC(=O)CCC=C 240690a_100015191253_100000749702 [0,1,0,0,0,0|2,0,1]=4 2184 B10R0.91 C=CCCNC(=O)CCC=C 527a_100015191253_100000749702 [0,1,0,0,0,0|2,0,1]=4 2185 B10R0.91 C=CCCNC(=O)CCCC 11a_100015191253_100000210183 [0,1,0,0,0,0|2,0,0]=3 2186 B10R0.91 C=CCCNC(=O)CCCC 1626a_100015191253_100000210183 [0,1,0,0,0,0|2,0,0]=3 2187 B10R0.91 C=CCCNC(=O)CCCC 240690a_100015191253_100000210183 [0,1,0,0,0,0|2,0,0]=3 2188 B10R0.91 C=CCCNC(=O)CCCC 527a_100015191253_100000210183 [0,1,0,0,0,0|2,0,0]=3 2189 B10R0.91 C=CCCNC(=O)CCOC 11a_100015191253_100000749529 [0,1,0,0,0,0|2,0,0]=3 2190 B10R0.91 C=CCCNC(=O)CCOC 1626a_100015191253_100000749529 [0,1,0,0,0,0|2,0,0]=3 2191 B10R0.91 C=CCCNC(=O)CCOC 240690a_100015191253_100000749529 [0,1,0,0,0,0|2,0,0]=3 2192 B10R0.91 C=CCCNC(=O)CCOC 527a_100015191253_100000749529 [0,1,0,0,0,0|2,0,0]=3 2193 B10R0.91 C=CCCNC(=O)CCSC 11a_100015191253_100000174002 [0,1,0,0,0,0|2,0,0]=3 2194 B10R0.91 C=CCCNC(=O)CCSC 1626a_100015191253_100000174002 [0,1,0,0,0,0|2,0,0]=3 2195 B10R0.91 C=CCCNC(=O)CCSC 240690a_100015191253_100000174002 [0,1,0,0,0,0|2,0,0]=3 2196 B10R0.91 C=CCCNC(=O)CCSC 527a_100015191253_100000174002 [0,1,0,0,0,0|2,0,0]=3 2197 B10R0.91 C=CCCNC(=O)COCC 11a_100015191253_100000211967 [0,1,0,0,0,0|1,0,0]=2 2198 B10R0.91 C=CCCNC(=O)COCC 1626a_100015191253_100000211967 [0,1,0,0,0,0|1,0,0]=2 2199 B10R0.91 C=CCCNC(=O)COCC 240690a_100015191253_100000211967 [0,1,0,0,0,0|1,0,0]=2 2200 B10R0.91 C=CCCNC(=O)COCC 527a_100015191253_100000211967 [0,1,0,0,0,0|1,0,0]=2 2201 B10R0.91 C=CCCNC(=O)CSCC 11a_100015191253_100000230394 [0,1,0,0,0,0|1,1,0]=3 2202 B10R0.91 C=CCCNC(=O)CSCC 1626a_100015191253_100000230394 [0,1,0,0,0,0|1,1,0]=3 2203 B10R0.91 C=CCCNC(=O)CSCC 240690a_100015191253_100000230394 [0,1,0,0,0,0|1,1,0]=3 2204 B10R0.91 C=CCCNC(=O)CSCC 527a_100015191253_100000230394 [0,1,0,0,0,0|1,1,0]=3 2205 B10R0.91 C=CCCNC(=O)NCC#N 2708a_100000734998_100015191253 [0,1,0,0,0,0|2,0,1]=4 2206 B10R0.91 C=CCCNC(=O)NCC#N 273464a_100000734998_100015191253 [0,1,0,0,0,0|2,0,1]=4 2207 B10R0.91 C=CCCNC(=O)NCC#N 273464a_100015191253_100000734998 [0,1,0,0,0,0|2,0,1]=4 2208 B10R0.91 C=CCCNC(=O)NCC#N 512a_100000734998_100015191253 [0,1,0,0,0,0|2,0,1]=4 2209 B10R0.91 C=CCCNC(=O)NCC#N 512a_100015191253_100000734998 [0,1,0,0,0,0|2,0,1]=4 2210 B10R0.91 C=CCCNC(=O)NCC=C 2708a_100015191253_100020586998 [0,1,0,0,0,0|2,0,1]=4 2211 B10R0.91 C=CCCNC(=O)NCC=C 273464a_100015191253_100020586998 [0,1,0,0,0,0|2,0,1]=4 2212 B10R0.91 C=CCCNC(=O)NCC=C 273464a_100020586998_100015191253 [0,1,0,0,0,0|2,0,1]=4 2213 B10R0.91 C=CCCNC(=O)NCC=C 512a_100015191253_100020586998 [0,1,0,0,0,0|2,0,1]=4 2214 B10R0.91 C=CCCNC(=O)NCC=C 512a_100020586998_100015191253 [0,1,0,0,0,0|2,0,1]=4 2215 B10R0.91 C=CCCNC(=O)NCCC 2708a_100015191253_100020643023 [0,1,0,0,0,0|2,0,0]=3 2216 B10R0.91 C=CCCNC(=O)NCCC 2708a_100020643023_100015191253 [0,1,0,0,0,0|2,0,0]=3 2217 B10R0.91 C=CCCNC(=O)NCCC 273464a_100015191253_100020643023 [0,1,0,0,0,0|2,0,0]=3 2218 B10R0.91 C=CCCNC(=O)NCCC 273464a_100020643023_100015191253 [0,1,0,0,0,0|2,0,0]=3 2219 B10R0.91 C=CCCNC(=O)NCCC 512a_100015191253_100020643023 [0,1,0,0,0,0|2,0,0]=3 2220 B10R0.91 C=CCCNC(=O)NCCC 512a_100020643023_100015191253 [0,1,0,0,0,0|2,0,0]=3 2221 B10R0.91 C=CCCNC(=O)NCCF 2708a_100015191253_100000724931 [0,1,0,0,0,0|2,0,0]=3 2222 B10R0.91 C=CCCNC(=O)NCCF 273464a_100000724931_100015191253 [0,1,0,0,0,0|2,0,0]=3 2223 B10R0.91 C=CCCNC(=O)NCCF 273464a_100015191253_100000724931 [0,1,0,0,0,0|2,0,0]=3 2224 B10R0.91 C=CCCNC(=O)NCCF 512a_100015191253_100000724931 [0,1,0,0,0,0|2,0,0]=3 2225 B10R0.91 C=CCCNC(=O)NCCO 2708a_100015191253_100000210304 [0,1,0,0,0,0|2,0,0]=3 2226 B10R0.91 C=CCCNC(=O)NCCO 273464a_100000210304_100015191253 [0,1,0,0,0,0|2,0,0]=3 2227 B10R0.91 C=CCCNC(=O)NCCO 273464a_100015191253_100000210304 [0,1,0,0,0,0|2,0,0]=3 2228 B10R0.91 C=CCCNC(=O)NCCO 512a_100015191253_100000210304 [0,1,0,0,0,0|2,0,0]=3 2229 B10R0.91 C=CCCNC(=O)NNCC 273464a_100015191253_100000756455 [0,1,0,0,0,0|2,0,0]=3 2230 B10R0.91 C=CCCNC(=O)NNCC 512a_100000756455_100015191253 [0,1,0,0,0,0|2,0,0]=3 2231 B10R0.91 C=CCCNC(=O)NNCC 512a_100015191253_100000756455 [0,1,0,0,0,0|2,0,0]=3 2232 B10R0.91 C=CCCOC(C)COCC 34a_100000718985_100000754431 [0,1,0,0,0,0|2,0,1]=4 2233 B10R0.91 C=CCCOC(C)COCC 7a_100000718985_100000754431 [0,1,0,0,0,0|2,0,1]=4 2234 B10R0.91 C=CCNC(=O)CSCC=C 1626a_100020586998_100000230395 [0,1,0,0,0,0|2,0,1]=4 2235 B10R0.91 C=CCNC(=O)CSCC=C 240690a_100020586998_100000230395 [0,1,0,0,0,0|2,0,1]=4 2236 B10R0.91 C=CCNC(=O)CSCC=C 527a_100020586998_100000230395 [0,1,0,0,0,0|2,0,1]=4 2237 B10R0.91 C=CCNC(=O)CSCC=C 62a_100000183597_100000210623 [0,1,0,0,0,0|2,0,1]=4 2238 B10R0.91 C=CCNC(=O)CSCC=C 62a_100000210623_100000183597 [0,1,0,0,0,0|2,0,1]=4 2239 B10R0.91 C=CCNCC(=O)NCC#N 2230a_100020586998_100000736037 [0,1,0,0,0,0|2,0,1]=4 2240 B10R0.91 C=CCNCC(=O)NCC=C 2230a_100020586998_100000183597 [0,1,0,0,0,0|2,0,1]=4 2241 B10R0.91 C=CCNCC(=O)NCCC 2230a_100000174927_100000210623 [0,1,0,0,0,0|2,0,0]=3 2242 B10R0.91 C=CCNCC(=O)NCCC 2230a_100020586998_100000183358 [0,1,0,0,0,0|2,0,0]=3 2243 B10R0.91 C=CCNCC(=O)NCCF 2230a_100000725713_100000210623 [0,1,0,0,0,0|2,0,0]=3 2244 B10R0.91 C=CCNCC(=O)OCC=C 2230a_100020586998_100000033060 [0,1,0,0,0,0|1,0,1]=3 2245 B10R0.91 C=CCNCC(=O)OCCC 2230a_100020586998_200011215008 [0,1,0,0,0,0|1,0,0]=2 2246 B10R0.91 C=CCNCC(C)OCCC 2230a_100015185124_100000210623 [0,1,0,0,0,0|2,0,1]=4 2247 B10R0.91 C=CCNCC(C)OCCC 34a_100015185124_100015514636 [0,1,0,0,0,0|2,0,1]=4 2248 B10R0.91 C=CCNCC(O)COCC 2230a_102515437182_100000210623 [0,1,0,0,0,0|1,0,2]=4 2249 B10R0.91 C=CCNCC(O)COCC 34a_102515437182_100015514636 [0,1,0,0,0,0|1,0,2]=4 2250 B10R0.91 C=CCNNC(=O)C#CCC 22a_100020588587_100011827653 [0,1,0,0,0,0|3,0,0]=4 2251 B10R0.91 C=CCNNC(=O)C=CCC 22a_100020588587_100000212282 [0,1,0,0,0,0|3,0,0]=4 2252 B10R0.91 C=CCNNC(=O)CCCC 22a_100020588587_100000210183 [0,1,0,0,0,0|3,0,0]=4 2253 B10R0.91 C=CCNNC(=O)CCOC 22a_100020588587_100000749529 [0,1,0,0,0,0|3,0,0]=4 2254 B10R0.91 C=CCNNC(=O)CCSC 22a_100020588587_100000174002 [0,1,0,0,0,0|3,0,0]=4 2255 B10R0.91 C=CCNNC(=O)COCC 22a_100020588587_100000211967 [0,1,0,0,0,0|2,0,0]=3 2256 B10R0.91 C=CCNNC(=O)CSCC 22a_100020588587_100000230394 [0,1,0,0,0,0|2,1,0]=4 2257 B10R0.91 C=CCNNC(=O)NCCC 273464a_100020643023_100020588587 [0,1,0,0,0,0|3,0,0]=4 2258 B10R0.91 C=CCNNC(=O)NCCC 512a_100020588587_100020643023 [0,1,0,0,0,0|3,0,0]=4 2259 B10R0.91 C=CCNNC(=O)NCCC 512a_100020643023_100020588587 [0,1,0,0,0,0|3,0,0]=4 2260 B10R0.91 C=CCNNC(=O)NCCF 273464a_100000724931_100020588587 [0,1,0,0,0,0|3,0,0]=4 2261 B10R0.91 C=CCNNC(=O)NCCF 512a_100020588587_100000724931 [0,1,0,0,0,0|3,0,0]=4 2262 B10R0.91 C=CCNNC(=O)NCCO 273464a_100000210304_100020588587 [0,1,0,0,0,0|3,0,0]=4 2263 B10R0.91 C=CCNNC(=O)NCCO 512a_100020588587_100000210304 [0,1,0,0,0,0|3,0,0]=4 2264 B10R0.91 C=CCNNC(=O)NNCC 512a_100000756455_100020588587 [0,1,0,0,0,0|3,0,0]=4 2265 B10R0.91 C=CCNNC(=O)NNCC 512a_100020588587_100000756455 [0,1,0,0,0,0|3,0,0]=4 2266 B10R0.91 C=CCOC(=O)CSCC=C 62a_100000033060_100000210623 [0,1,0,0,0,0|1,0,1]=3 2267 B10R0.91 C=CCOC(=O)CSCC=C 62a_100000210623_100000033060 [0,1,0,0,0,0|1,0,1]=3 2268 B10R0.91 C=CCOC(=O)CSCC=O 62a_100000033060_200015260668 [0,1,0,0,0,0|2,0,1]=4 2269 B10R0.91 C=CCOC(=O)CSCC=O 62a_200015260668_100000033060 [0,1,0,0,0,0|2,0,1]=4 2270 B10R0.91 C=CCOCC(=C)OCOC 34a_200000210373_100000042856 [0,1,0,0,0,0|2,0,0]=3 2271 B10R0.91 C=CCOCC(=O)NCCC 34a_200000210373_100000183358 [0,1,0,0,0,0|2,0,0]=3 2272 B10R0.91 C=CCOCC(=O)OCC=C 34a_200000210373_100000033060 [0,1,0,0,0,0|1,0,1]=3 2273 B10R0.91 C=CCOCC(=O)OCCC 34a_200000210373_200011215008 [0,1,0,0,0,0|1,0,0]=2 2274 B10R0.91 C=CCOC[C@@H](C)OCOC 34a_100016172286_100015514636 [0,1,0,0,0,0|2,0,1]=4 2275 B10R0.91 C=CCOC[C@@H](C)OCOC 7a_100016172286_100015514636 [0,1,0,0,0,0|2,0,1]=4 2276 B10R0.91 C=CCSCC(=C)OCOC 62a_100000042856_100000210623 [0,1,0,0,0,0|2,0,0]=3 2277 B10R0.91 C=CCSCC(=C)OCOC 62a_100000210623_100000042856 [0,1,0,0,0,0|2,0,0]=3 2278 B10R0.91 C=CCSCC(=O)C/C=C/C 1458a_100000230395_100102629194 [0,1,0,0,0,0|2,0,1]=4 2279 B10R0.91 C=CCSCC(=O)CC#CC 1458a_100000230395_100000748600 [0,1,0,0,0,0|2,0,1]=4 2280 B10R0.91 C=CCSCC(=O)CC=CC 1458a_100000230395_100000070051 [0,1,0,0,0,0|2,0,1]=4 2281 B10R0.91 C=CCSCC(=O)CCC#N 1458a_100000230395_100011215226 [0,1,0,0,0,0|2,0,1]=4 2282 B10R0.91 C=CCSCC(=O)CCCC 1458a_100000230395_100000210211 [0,1,0,0,0,0|2,0,0]=3 2283 B10R0.91 C=CCSCC(=O)CCCF 1458a_100000230395_100011934791 [0,1,0,0,0,0|2,0,0]=3 2284 B10R0.91 C=CCSCC(=O)CCCO 1458a_100000230395_100011215043 [0,1,0,0,0,0|2,0,0]=3 2285 B10R0.91 C=CCSCC(=O)CCOC 1458a_100000230395_100000233755 [0,1,0,0,0,0|2,0,0]=3 2286 B10R0.91 C=CCSCC(=O)CCSC 1458a_100000230395_100000751147 [0,1,0,0,0,0|2,0,0]=3 2287 B10R0.91 C=CCSCC(=O)NCC#N 1626a_100000734998_100000230395 [0,1,0,0,0,0|2,0,1]=4 2288 B10R0.91 C=CCSCC(=O)NCC#N 527a_100000734998_100000230395 [0,1,0,0,0,0|2,0,1]=4 2289 B10R0.91 C=CCSCC(=O)NCC#N 62a_100000210623_100000736037 [0,1,0,0,0,0|2,0,1]=4 2290 B10R0.91 C=CCSCC(=O)NCC#N 62a_100000736037_100000210623 [0,1,0,0,0,0|2,0,1]=4 2291 B10R0.91 C=CCSCC(=O)NCCC 11a_100020643023_100000230395 [0,1,0,0,0,0|2,0,0]=3 2292 B10R0.91 C=CCSCC(=O)NCCC 1626a_100020643023_100000230395 [0,1,0,0,0,0|2,0,0]=3 2293 B10R0.91 C=CCSCC(=O)NCCC 240690a_100020643023_100000230395 [0,1,0,0,0,0|2,0,0]=3 2294 B10R0.91 C=CCSCC(=O)NCCC 527a_100020643023_100000230395 [0,1,0,0,0,0|2,0,0]=3 2295 B10R0.91 C=CCSCC(=O)NCCC 62a_100000183358_100000210623 [0,1,0,0,0,0|2,0,0]=3 2296 B10R0.91 C=CCSCC(=O)NCCC 62a_100000210623_100000183358 [0,1,0,0,0,0|2,0,0]=3 2297 B10R0.91 C=CCSCC(=O)NCCF 11a_100000724931_100000230395 [0,1,0,0,0,0|2,0,0]=3 2298 B10R0.91 C=CCSCC(=O)NCCF 1626a_100000724931_100000230395 [0,1,0,0,0,0|2,0,0]=3 2299 B10R0.91 C=CCSCC(=O)NCCF 240690a_100000724931_100000230395 [0,1,0,0,0,0|2,0,0]=3 2300 B10R0.91 C=CCSCC(=O)NCCF 527a_100000724931_100000230395 [0,1,0,0,0,0|2,0,0]=3 2301 B10R0.91 C=CCSCC(=O)NCCO 240690a_100000210304_100000230395 [0,1,0,0,0,0|2,0,0]=3 2302 B10R0.91 C=CCSCC(=O)NCCO 527a_100000210304_100000230395 [0,1,0,0,0,0|2,0,0]=3 2303 B10R0.91 C=CCSCC(=O)NNCC 22a_100000756455_100000230395 [0,1,0,0,0,0|2,0,0]=3 2304 B10R0.91 C=CCSCC(=O)OCCC 62a_100000210623_200011215008 [0,1,0,0,0,0|1,0,0]=2 2305 B10R0.91 C=CCSCC(=O)OCCC 62a_200011215008_100000210623 [0,1,0,0,0,0|1,0,0]=2 2306 B10R0.91 C=COCCC(=O)C#CCC 1458a_100011827653_100000039644 [0,1,0,0,0,0|2,0,0]=3 2307 B10R0.91 C=COCCC(=O)C#CCO 1458a_100000049017_100000039644 [0,1,0,0,0,0|2,0,1]=4 2308 B10R0.91 C=COCCC(=O)C=CCC 1458a_100000212282_100000039644 [0,1,0,0,0,0|2,0,0]=3 2309 B10R0.91 C=COCCC(=O)C=COC 1458a_100016268678_100000039644 [0,1,0,0,0,0|2,0,1]=4 2310 B10R0.91 C=COCCC(=O)CC=CC 1458a_100121576822_100000039644 [0,1,0,0,0,0|2,0,1]=4 2311 B10R0.91 C=COCCC(=O)CCC#N 1458a_100011934036_100000039644 [0,1,0,0,0,0|2,0,1]=4 2312 B10R0.91 C=COCCC(=O)CCCC 1458a_100000210183_100000039644 [0,1,0,0,0,0|2,0,0]=3 2313 B10R0.91 C=COCCC(=O)CCOC 1458a_100000749529_100000039644 [0,1,0,0,0,0|2,0,0]=3 2314 B10R0.91 C=COCCC(=O)CCSC 1458a_100000174002_100000039644 [0,1,0,0,0,0|2,0,0]=3 2315 B10R0.91 C=COCCC(=O)COCC 1458a_100000211967_100000039644 [0,1,0,0,0,0|1,0,0]=2 2316 B10R0.91 C=COCCC(=O)CSCC 1458a_100000230394_100000039644 [0,1,0,0,0,0|1,1,0]=3 2317 B10R0.91 CCC#CC(=O)CCCC#N 1458a_100011827653_100000211468 [0,1,0,0,0,0|2,0,1]=4 2318 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [0,1,0,0,0,0|1,0,2]=4 2319 B10R0.91 CCC#CC(=O)CCCCF 1458a_100011827653_100000729493 [0,1,0,0,0,0|2,0,1]=4 2320 B10R0.91 CCC#CC(=O)CCCCO 1458a_100011827653_100000210776 [0,1,0,0,0,0|2,0,1]=4 2321 B10R0.91 CCC#CC(=O)CCCOC 1458a_100011827653_100000740836 [0,1,0,0,0,0|2,0,1]=4 2322 B10R0.91 CCC=CC(=O)CCCC#N 1458a_100000212282_100000211468 [0,1,0,0,0,0|2,0,1]=4 2323 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,1,0,0,0,0|1,0,2]=4 2324 B10R0.91 CCC=CC(=O)CCCCF 1458a_100000212282_100000729493 [0,1,0,0,0,0|2,0,1]=4 2325 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [0,1,0,0,0,0|2,0,1]=4 2326 B10R0.91 CCC=CC(=O)CCCOC 1458a_100000212282_100000740836 [0,1,0,0,0,0|2,0,1]=4 2327 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000075515_100000210211 [0,1,0,0,0,0|2,0,1]=4 2328 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000210183_100000211468 [0,1,0,0,0,0|2,0,1]=4 2329 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [0,1,0,0,0,0|2,0,1]=4 2330 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [0,1,0,0,0,0|2,0,1]=4 2331 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [0,1,0,0,0,0|2,0,1]=4 2332 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [0,1,0,0,0,0|2,0,1]=4 2333 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [0,1,0,0,0,0|2,0,1]=4 2334 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [0,1,0,0,0,0|2,0,1]=4 2335 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [0,1,0,0,0,0|1,0,2]=4 2336 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [0,1,0,0,0,0|1,0,2]=4 2337 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [0,1,0,0,0,0|1,0,2]=4 2338 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [0,1,0,0,0,0|1,0,2]=4 2339 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,1,0,0,0,0|1,0,2]=4 2340 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,1,0,0,0,0|1,0,2]=4 2341 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [0,1,0,0,0,0|1,0,2]=4 2342 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [0,1,0,0,0,0|1,0,2]=4 2343 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [0,1,0,0,0,0|1,0,2]=4 2344 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [0,1,0,0,0,0|0,0,2]=3 2345 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [0,1,0,0,0,0|0,0,2]=3 2346 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [0,1,0,0,0,0|0,1,2]=4 2347 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [0,1,0,0,0,0|0,1,2]=4 2348 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [0,1,0,0,0,0|0,1,2]=4 2349 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [0,1,0,0,0,0|1,0,2]=4 2350 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [0,1,0,0,0,0|1,0,2]=4 2351 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [0,1,0,0,0,0|1,0,2]=4 2352 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [0,1,0,0,0,0|1,0,2]=4 2353 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [0,1,0,0,0,0|1,0,2]=4 2354 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [0,1,0,0,0,0|1,0,2]=4 2355 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [0,1,0,0,0,0|1,0,2]=4 2356 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [0,1,0,0,0,0|1,0,2]=4 2357 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [0,1,0,0,0,0|1,0,2]=4 2358 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [0,1,0,0,0,0|1,0,2]=4 2359 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [0,1,0,0,0,0|1,0,2]=4 2360 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [0,1,0,0,0,0|1,0,2]=4 2361 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [0,1,0,0,0,0|1,0,2]=4 2362 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [0,1,0,0,0,0|1,0,2]=4 2363 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [0,1,0,0,0,0|1,0,2]=4 2364 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [0,1,0,0,0,0|1,0,2]=4 2365 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [0,1,0,0,0,0|1,0,2]=4 2366 B10R0.91 CCCNC(=O)CCCC#N 11a_100020643023_100000075515 [0,1,0,0,0,0|2,0,1]=4 2367 B10R0.91 CCCNC(=O)CCCC#N 1626a_100020643023_100000075515 [0,1,0,0,0,0|2,0,1]=4 2368 B10R0.91 CCCNC(=O)CCCC#N 240690a_100020643023_100000075515 [0,1,0,0,0,0|2,0,1]=4 2369 B10R0.91 CCCNC(=O)CCCC#N 527a_100020643023_100000075515 [0,1,0,0,0,0|2,0,1]=4 2370 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [0,1,0,0,0,0|2,0,1]=4 2371 B10R0.91 CCCNC(=O)CCCNC 2230a_106832991635_100011194427 [0,1,0,0,0,0|2,0,1]=4 2372 B10R0.91 CCCNC(=O)CCCNC 7a_106832991635_100011194427 [0,1,0,0,0,0|2,0,1]=4 2373 B10R0.91 CCCNC(=O)CCCOC 11a_100020643023_100000741012 [0,1,0,0,0,0|2,0,1]=4 2374 B10R0.91 CCCNC(=O)CCCOC 1626a_100020643023_100000741012 [0,1,0,0,0,0|2,0,1]=4 2375 B10R0.91 CCCNC(=O)CCCOC 240690a_100020643023_100000741012 [0,1,0,0,0,0|2,0,1]=4 2376 B10R0.91 CCCNC(=O)CCCOC 527a_100020643023_100000741012 [0,1,0,0,0,0|2,0,1]=4 2377 B10R0.91 CCCNC(=O)CCCSC 11a_100020643023_100000173376 [0,1,0,0,0,0|2,0,1]=4 2378 B10R0.91 CCCNC(=O)CCCSC 1626a_100020643023_100000173376 [0,1,0,0,0,0|2,0,1]=4 2379 B10R0.91 CCCNC(=O)CCCSC 240690a_100020643023_100000173376 [0,1,0,0,0,0|2,0,1]=4 2380 B10R0.91 CCCNC(=O)CCCSC 527a_100020643023_100000173376 [0,1,0,0,0,0|2,0,1]=4 2381 B10R0.91 CCCNC(=O)CCCSC 62a_100011194427_200000210301 [0,1,0,0,0,0|2,0,1]=4 2382 B10R0.91 CCCNC(=O)CCCSC 62a_200000210301_100011194427 [0,1,0,0,0,0|2,0,1]=4 2383 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_100011194427_200025704644 [0,1,0,0,0,0|2,0,1]=4 2384 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_200025704644_100011194427 [0,1,0,0,0,0|2,0,1]=4 2385 B10R0.91 CCCNC(=O)CNCC=O 2230a_100000174927_200015260668 [0,1,0,0,0,0|3,0,0]=4 2386 B10R0.91 CCCNC(=O)CSCC=O 62a_100000183358_200015260668 [0,1,0,0,0,0|3,0,0]=4 2387 B10R0.91 CCCNC(=O)CSCC=O 62a_200015260668_100000183358 [0,1,0,0,0,0|3,0,0]=4 2388 B10R0.91 CCCOC(=O)CNCCF 34a_100000724931_200011215008 [0,1,0,0,0,0|2,0,1]=4 2389 B10R0.91 CCCOC(=O)CNCCO 2230a_100016997473_200011215008 [0,1,0,0,0,0|2,0,1]=4 2390 B10R0.91 CCCOC(=O)CNCCO 34a_100016990907_200011215008 [0,1,0,0,0,0|2,0,1]=4 2391 B10R0.91 CCCOC(=O)COCCBr 34a_100000211926_200011215008 [0,1,0,0,0,0|2,0,1]=4 2392 B10R0.91 CCCOC(=O)COCCN 34a_100000210304_200011215008 [0,1,0,0,0,0|2,0,1]=4 2393 B10R0.91 CCCOC(=O)CSCC#N 62a_100011215382_200011215008 [0,1,0,0,0,0|2,0,1]=4 2394 B10R0.91 CCCOC(=O)CSCC#N 62a_200011215008_100011215382 [0,1,0,0,0,0|2,0,1]=4 2395 B10R0.91 CCCOC(=O)CSCC=O 62a_200011215008_200015260668 [0,1,0,0,0,0|2,0,0]=3 2396 B10R0.91 CCCOC(=O)CSCC=O 62a_200015260668_200011215008 [0,1,0,0,0,0|2,0,0]=3 2397 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [0,1,0,0,0,0|1,0,2]=4 2398 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [0,1,0,0,0,0|1,0,2]=4 2399 B10R0.91 CCCOC(=O)CSCCF 62a_100011217306_200011215008 [0,1,0,0,0,0|2,0,1]=4 2400 B10R0.91 CCCOC(=O)CSCCF 62a_200011215008_100011217306 [0,1,0,0,0,0|2,0,1]=4 2401 B10R0.91 CCCOC(=O)CSCCO 62a_100000211926_200011215008 [0,1,0,0,0,0|2,0,1]=4 2402 B10R0.91 CCCOC(=O)CSCCO 62a_200011215008_100000211926 [0,1,0,0,0,0|2,0,1]=4 2403 B10R0.91 CCCOC(=O)CSCOC 62a_100000766300_200011215008 [0,1,0,0,0,0|2,0,1]=4 2404 B10R0.91 CCCOC(=O)CSCOC 62a_200011215008_100000766300 [0,1,0,0,0,0|2,0,1]=4 2405 B10R0.91 CCCOC(=O)CSCSC 62a_100011218213_200011215008 [0,1,0,0,0,0|2,0,1]=4 2406 B10R0.91 CCCOC(=O)CSCSC 62a_200011215008_100011218213 [0,1,0,0,0,0|2,0,1]=4 2407 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [0,1,0,0,0,0|1,0,2]=4 2408 B10R0.91 CCNNC(=O)CCCC#N 22a_100000756455_100000075515 [0,1,0,0,0,0|2,0,1]=4 2409 B10R0.91 CCNNC(=O)CCCOC 22a_100000756455_100000741012 [0,1,0,0,0,0|2,0,1]=4 2410 B10R0.91 CCNNC(=O)CCCSC 22a_100000756455_100000173376 [0,1,0,0,0,0|2,0,1]=4 2411 B10R0.91 CCOCC(=O)CCCC#N 1458a_100000211967_100000211468 [0,1,0,0,0,0|1,0,1]=3 2412 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [0,1,0,0,0,0|1,0,1]=3 2413 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [0,1,0,0,0,0|1,0,1]=3 2414 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [0,1,0,0,0,0|1,0,1]=3 2415 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [0,1,0,0,0,0|1,0,2]=4 2416 B10R0.91 CCOCC(=O)NCCC#N 11a_100000720768_100000211967 [0,1,0,0,0,0|2,0,1]=4 2417 B10R0.91 CCOCC(=O)NCCC#N 1626a_100000720768_100000211967 [0,1,0,0,0,0|2,0,1]=4 2418 B10R0.91 CCOCC(=O)NCCC#N 240690a_100000720768_100000211967 [0,1,0,0,0,0|2,0,1]=4 2419 B10R0.91 CCOCC(=O)NCCC#N 527a_100000720768_100000211967 [0,1,0,0,0,0|2,0,1]=4 2420 B10R0.91 CCOCC(=O)NCCCF 11a_100015189416_100000211967 [0,1,0,0,0,0|2,0,1]=4 2421 B10R0.91 CCOCC(=O)NCCCF 1626a_100015189416_100000211967 [0,1,0,0,0,0|2,0,1]=4 2422 B10R0.91 CCOCC(=O)NCCCF 240690a_100015189416_100000211967 [0,1,0,0,0,0|2,0,1]=4 2423 B10R0.91 CCOCC(=O)NCCCF 527a_100015189416_100000211967 [0,1,0,0,0,0|2,0,1]=4 2424 B10R0.91 CCOCC(=O)NCCCO 240690a_100000182051_100000211967 [0,1,0,0,0,0|2,0,1]=4 2425 B10R0.91 CCOCC(=O)NCCCO 527a_100000182051_100000211967 [0,1,0,0,0,0|2,0,1]=4 2426 B10R0.91 CCOCC(=O)NCCOC 1626a_100000209980_100000211967 [0,1,0,0,0,0|2,0,1]=4 2427 B10R0.91 CCOCC(=O)NCCOC 240690a_100000209980_100000211967 [0,1,0,0,0,0|2,0,1]=4 2428 B10R0.91 CCOCC(=O)NCCOC 34a_100121572206_100000183275 [0,1,0,0,0,0|2,0,1]=4 2429 B10R0.91 CCOCC(=O)NCCOC 527a_100000209980_100000211967 [0,1,0,0,0,0|2,0,1]=4 2430 B10R0.91 CCOCC(=O)NCCSC 11a_100020590264_100000211967 [0,1,0,0,0,0|2,0,1]=4 2431 B10R0.91 CCOCC(=O)NCCSC 1626a_100020590264_100000211967 [0,1,0,0,0,0|2,0,1]=4 2432 B10R0.91 CCOCC(=O)NCCSC 240690a_100020590264_100000211967 [0,1,0,0,0,0|2,0,1]=4 2433 B10R0.91 CCOCC(=O)NCCSC 527a_100020590264_100000211967 [0,1,0,0,0,0|2,0,1]=4 2434 B10R0.91 CCOCC(=O)OCCOC 34a_100121572206_200000040189 [0,1,0,0,0,0|2,0,1]=4 2435 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [0,1,0,0,0,0|1,0,2]=4 2436 B10R0.91 CCSCC(=O)CCCC#N 1458a_100000230394_100000211468 [0,1,0,0,0,0|1,1,1]=4 2437 B10R0.91 CCSCC(=O)CCCCF 1458a_100000230394_100000729493 [0,1,0,0,0,0|1,1,1]=4 2438 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [0,1,0,0,0,0|1,1,1]=4 2439 B10R0.91 CCSCC(=O)CCCOC 1458a_100000230394_100000740836 [0,1,0,0,0,0|1,1,1]=4 2440 B10R0.91 COCCC(=O)CCCC#N 1458a_100000075515_100000233755 [0,1,0,0,0,0|2,0,1]=4 2441 B10R0.91 COCCC(=O)CCCC#N 1458a_100000749529_100000211468 [0,1,0,0,0,0|2,0,1]=4 2442 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [0,1,0,0,0,0|2,0,1]=4 2443 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [0,1,0,0,0,0|2,0,1]=4 2444 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [0,1,0,0,0,0|2,0,1]=4 2445 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [0,1,0,0,0,0|2,0,1]=4 2446 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [0,1,0,0,0,0|2,0,1]=4 2447 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [0,1,0,0,0,0|2,0,1]=4 2448 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [0,1,0,0,0,0|2,0,1]=4 2449 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [0,1,0,0,0,0|2,0,1]=4 2450 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [0,1,0,0,0,0|2,0,1]=4 2451 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [0,1,0,0,0,0|2,0,1]=4 2452 B10R0.91 COCCCC(=O)NCCF 11a_100000724931_100000741012 [0,1,0,0,0,0|2,0,1]=4 2453 B10R0.91 COCCCC(=O)NCCF 1626a_100000724931_100000741012 [0,1,0,0,0,0|2,0,1]=4 2454 B10R0.91 COCCCC(=O)NCCF 240690a_100000724931_100000741012 [0,1,0,0,0,0|2,0,1]=4 2455 B10R0.91 COCCCC(=O)NCCF 527a_100000724931_100000741012 [0,1,0,0,0,0|2,0,1]=4 2456 B10R0.91 COCCCC(=O)NCCO 240690a_100000210304_100000741012 [0,1,0,0,0,0|2,0,1]=4 2457 B10R0.91 COCCCC(=O)NCCO 527a_100000210304_100000741012 [0,1,0,0,0,0|2,0,1]=4 2458 B10R0.91 CSCCC(=O)CCCC#N 1458a_100000075515_100000751147 [0,1,0,0,0,0|2,0,1]=4 2459 B10R0.91 CSCCC(=O)CCCC#N 1458a_100000174002_100000211468 [0,1,0,0,0,0|2,0,1]=4 2460 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [0,1,0,0,0,0|2,0,1]=4 2461 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [0,1,0,0,0,0|2,0,1]=4 2462 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [0,1,0,0,0,0|2,0,1]=4 2463 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [0,1,0,0,0,0|2,0,1]=4 2464 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [0,1,0,0,0,0|2,0,1]=4 2465 B10R0.91 CSCCCC(=O)CCSC 1458a_100000173376_100000751147 [0,1,0,0,0,0|2,0,1]=4 2466 B10R0.91 CSCCCC(=O)NCCF 11a_100000724931_100000173376 [0,1,0,0,0,0|2,0,1]=4 2467 B10R0.91 CSCCCC(=O)NCCF 1626a_100000724931_100000173376 [0,1,0,0,0,0|2,0,1]=4 2468 B10R0.91 CSCCCC(=O)NCCF 240690a_100000724931_100000173376 [0,1,0,0,0,0|2,0,1]=4 2469 B10R0.91 CSCCCC(=O)NCCF 527a_100000724931_100000173376 [0,1,0,0,0,0|2,0,1]=4 2470 B10R0.91 CSCCCC(=O)NCCO 240690a_100000210304_100000173376 [0,1,0,0,0,0|2,0,1]=4 2471 B10R0.91 CSCCCC(=O)NCCO 527a_100000210304_100000173376 [0,1,0,0,0,0|2,0,1]=4 2472 B10R0.91 N#CCCCC(=O)CCCF 1458a_100000075515_100011934791 [0,1,0,0,0,0|2,0,1]=4 2473 B10R0.91 N#CCCCC(=O)CCCO 1458a_100000075515_100011215043 [0,1,0,0,0,0|2,0,1]=4 2474 B10R0.91 N#CCCCC(=O)NCCF 11a_100000724931_100000075515 [0,1,0,0,0,0|2,0,1]=4 2475 B10R0.91 N#CCCCC(=O)NCCF 1626a_100000724931_100000075515 [0,1,0,0,0,0|2,0,1]=4 2476 B10R0.91 N#CCCCC(=O)NCCF 240690a_100000724931_100000075515 [0,1,0,0,0,0|2,0,1]=4 2477 B10R0.91 N#CCCCC(=O)NCCF 527a_100000724931_100000075515 [0,1,0,0,0,0|2,0,1]=4 2478 B10R0.91 N#CCCCC(=O)NCCO 240690a_100000210304_100000075515 [0,1,0,0,0,0|2,0,1]=4 2479 B10R0.91 N#CCCCC(=O)NCCO 527a_100000210304_100000075515 [0,1,0,0,0,0|2,0,1]=4 2480 B10R0.91 O=C(CCCCO)NCCF 1626a_100000724931_100000695505 [0,1,0,0,0,0|2,0,1]=4 2481 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [0,1,0,0,0,0|2,0,1]=4 2482 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [0,1,0,0,0,0|2,0,1]=4 2483 B10R0.91 O=CCNCC(=O)NCCF 2230a_100000725713_200015260668 [0,1,0,0,0,0|3,0,0]=4 2484 B10R0.108 C#CC(C)NCC(=O)OCC 2230a_100000707721_100000188475 [0,1,0,0,0,0|1,0,2]=4 2485 B10R0.108 C#CC(C)NCC(=O)OCC 34a_100000707721_100000188475 [0,1,0,0,0,0|1,0,2]=4 2486 B10R0.108 C#CC(C)SCC(=O)OCC 62a_200000035995_100000188475 [0,1,0,0,0,0|1,0,2]=4 2487 B10R0.108 C#C[C@@H](C)OCC(=O)OCC 34a_100009815206_100000188475 [0,1,0,0,0,0|1,0,2]=4 2488 B10R0.108 C#C[C@@H](C)OCC(=O)OCC 7a_100009815206_100000188475 [0,1,0,0,0,0|1,0,2]=4 2489 B10R0.108 C=CC(=O)COC(=O)CCC 1458a_100000185746_100000034017 [0,1,0,0,0,0|2,0,1]=4 2490 B10R0.108 C=CC(=O)NCC(=O)CCC 1458a_200011222540_100000210303 [0,1,0,0,0,0|2,0,1]=4 2491 B10R0.108 C=CC(=O)NCC(=O)NCC 11a_100015525214_200011222540 [0,1,0,0,0,0|2,0,1]=4 2492 B10R0.108 C=CC(=O)NCC(=O)NCC 1626a_100016988866_100000185746 [0,1,0,0,0,0|2,0,1]=4 2493 B10R0.108 C=CC(=O)NCC(=O)NCC 240690a_100015525214_200011222540 [0,1,0,0,0,0|2,0,1]=4 2494 B10R0.108 C=CC(=O)NCC(=O)NCC 240690a_100016988866_200121576911 [0,1,0,0,0,0|2,0,1]=4 2495 B10R0.108 C=CC(=O)NCC(=O)NCC 527a_100015525214_200011222540 [0,1,0,0,0,0|2,0,1]=4 2496 B10R0.108 C=CC(C)OCC(=O)NCC 34a_100000695699_100000183381 [0,1,0,0,0,0|2,0,0]=3 2497 B10R0.108 C=CC(C)OCC(=O)NCO 34a_100000695699_100000185155 [0,1,0,0,0,0|3,0,0]=4 2498 B10R0.108 C=CC(C)OCC(=O)OCC 34a_100000695699_100000188475 [0,1,0,0,0,0|1,0,0]=2 2499 B10R0.108 C=CC(C)SCC(=O)CCC 62a_100011215867_100000747444 [0,1,0,0,0,0|2,0,0]=3 2500 B10R0.108 C=CC(C)SCC(=O)NCC 62a_100011215867_100000183381 [0,1,0,0,0,0|2,0,0]=3 2501 B10R0.108 C=CC(C)SCC(=O)NCO 62a_100011215867_100000185155 [0,1,0,0,0,0|3,0,0]=4 2502 B10R0.108 C=CC(C)SCC(=O)OCC 62a_100011215867_100000188475 [0,1,0,0,0,0|1,0,0]=2 2503 B10R0.108 C=COC(=O)COC(C)C=C 34a_100000695699_100000036128 [0,1,0,0,0,0|1,0,2]=4 2504 B10R0.108 C=COC(=O)CSC(C)C=C 62a_100011215867_100000036128 [0,1,0,0,0,0|1,0,2]=4 2505 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,1,0,0,0,0|1,0,2]=4 2506 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [0,1,0,0,0,0|1,0,2]=4 2507 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [0,1,0,0,0,0|1,0,2]=4 2508 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [0,1,0,0,0,0|1,0,2]=4 2509 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [0,1,0,0,0,0|1,0,2]=4 2510 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,1,0,0,0,0|0,0,3]=4 2511 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [0,1,0,0,0,0|1,0,2]=4 2512 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [0,1,0,0,0,0|1,0,2]=4 2513 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [0,1,0,0,0,0|1,0,2]=4 2514 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [0,1,0,0,0,0|1,0,2]=4 2515 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [0,1,0,0,0,0|1,0,1]=3 2516 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [0,1,0,0,0,0|1,0,1]=3 2517 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [0,1,0,0,0,0|1,0,1]=3 2518 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [0,1,0,0,0,0|1,0,1]=3 2519 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [0,1,0,0,0,0|1,0,1]=3 2520 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [0,1,0,0,0,0|1,0,1]=3 2521 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [0,1,0,0,0,0|1,0,1]=3 2522 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [0,1,0,0,0,0|1,0,1]=3 2523 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [0,1,0,0,0,0|1,0,2]=4 2524 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [0,1,0,0,0,0|1,0,2]=4 2525 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [0,1,0,0,0,0|1,0,2]=4 2526 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [0,1,0,0,0,0|1,0,2]=4 2527 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [0,1,0,0,0,0|1,0,2]=4 2528 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [0,1,0,0,0,0|1,0,2]=4 2529 B10R0.108 CCOC(=O)CCN(C)CF 269982a_100000745921_100015361967 [0,1,0,0,0,0|2,0,1]=4 2530 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [0,1,0,0,0,0|1,0,2]=4 2531 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [0,1,0,0,0,0|1,0,2]=4 2532 B10R0.108 CCOC(=O)CNC(C)C#N 2230a_100000737613_100000188475 [0,1,0,0,0,0|2,0,1]=4 2533 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [0,1,0,0,0,0|1,0,2]=4 2534 B10R0.108 CCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000188475 [0,1,0,0,0,0|2,0,1]=4 2535 B10R0.108 CCOC(=O)COC(C)C#N 34a_100011218135_100000188475 [0,1,0,0,0,0|2,0,1]=4 2536 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [0,1,0,0,0,0|1,0,2]=4 2537 B10R0.108 CCOC(=O)COC(C)CF 34a_100016041109_100000188475 [0,1,0,0,0,0|2,0,1]=4 2538 B10R0.108 CCOC(=O)COC(C)CF 7a_100016041109_100000188475 [0,1,0,0,0,0|2,0,1]=4 2539 B10R0.108 CCOC(=O)COC(C)CN 34a_100000210904_100000188475 [0,1,0,0,0,0|2,0,1]=4 2540 B10R0.108 CCOC(=O)CSC(C)C#N 62a_100000188475_100000703298 [0,1,0,0,0,0|2,0,1]=4 2541 B10R0.108 CCOC(=O)CSC(C)C#N 62a_100000703298_100000188475 [0,1,0,0,0,0|2,0,1]=4 2542 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [0,1,0,0,0,0|1,0,2]=4 2543 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [0,1,0,0,0,0|1,0,2]=4 2544 B10R0.108 CCOC(=O)CSC(C)CO 62a_100012180447_100000188475 [0,1,0,0,0,0|2,0,1]=4 2545 B10R0.108 CCOC(=O)CSC(C)OC 62a_100000188475_100009879195 [0,1,0,0,0,0|2,0,1]=4 2546 B10R0.108 CCOC(=O)CSC(C)OC 62a_100009879195_100000188475 [0,1,0,0,0,0|2,0,1]=4 2547 B10R0.108 CCOC(=O)CSC(F)C#N 62a_100000188475_200000117898 [0,1,0,0,0,0|2,0,1]=4 2548 B10R0.108 CCOC(=O)CSC(F)C#N 62a_200000117898_100000188475 [0,1,0,0,0,0|2,0,1]=4 2549 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100000188475_100016084084 [0,1,0,0,0,0|2,0,1]=4 2550 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100016084084_100000188475 [0,1,0,0,0,0|2,0,1]=4 2551 B10R0.156 C=CCCNS(=O)(=O)CCC 270084a_100015191253_100000211391 [0,1,0,0,0,0|3,0,0]=4 2552 B10R0.156 C=CCCNS(=O)(=O)CCC 274078a_100015191253_100000211391 [0,1,0,0,0,0|3,0,0]=4 2553 B10R0.156 C=CCCNS(=O)(=O)CCC 40a_100015191253_100000054278 [0,1,0,0,0,0|3,0,0]=4 2554 B10R0.156 C=CCSC[Si](C)(C)OCC 62a_100000210623_200000065227 [0,1,0,0,0,0|2,1,0]=4 2555 B10R0.156 C=CCSC[Si](C)(C)OCC 62a_200000065227_100000210623 [0,1,0,0,0,0|2,1,0]=4 2556 B10R1.10 C#CCN1CCOC(=O)C1 2230a_100000131268_100000038162 [0,0,0,1,0,0|1,0,2]=4 2557 B10R1.10 C=CCN1CCC=C(C1)C 2230a_100000725631_100000210623 [0,0,0,1,0,0|3,0,0]=4 2558 B10R1.10 C=CCN1CCC=C(C1)C 269982a_100000725631_100000210623 [0,0,0,1,0,0|3,0,0]=4 2559 B10R1.10 C=CCN1CCC=C(C1)C 34a_100000725631_100015514636 [0,0,0,1,0,0|3,0,0]=4 2560 B10R1.10 C=CCN1CCNC(=O)C1 2230a_100000184651_100000210623 [0,0,0,1,0,0|2,0,0]=3 2561 B10R1.10 C=CCN1CCOC(=O)C1 2230a_100000131268_100000210623 [0,0,0,1,0,0|1,0,0]=2 2562 B10R1.10 C=CCN1CCOC(C1)C 2230a_100000729577_100000210623 [0,0,0,1,0,0|2,0,1]=4 2563 B10R1.10 C=CCN1CCOC(C1)C 269982a_100000729577_100000210623 [0,0,0,1,0,0|2,0,1]=4 2564 B10R1.10 C=CCN1CCOC(C1)C 34a_100000729577_100015514636 [0,0,0,1,0,0|2,0,1]=4 2565 B10R1.10 C=CCN1CCOC(C1)O 2230a_100000688207_100000210623 [0,0,0,1,0,0|1,0,2]=4 2566 B10R1.10 C=CCN1CCOC(C1)O 269982a_100000688207_100000210623 [0,0,0,1,0,0|1,0,2]=4 2567 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,0,0,1,0,0|1,0,2]=4 2568 B10R1.10 CCOC1C=C(CCC1)C 34a_100011218613_100000210202 [0,0,0,1,0,0|1,0,2]=4 2569 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,0,0,1,0,0|2,0,1]=4 2570 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [0,0,0,1,0,0|2,0,1]=4 2571 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [0,0,0,1,0,0|2,0,1]=4 2572 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [0,0,0,1,0,0|2,0,1]=4 2573 B10R1.10 N#CCN1CCOC(=O)C1 2230a_100000131268_100011215382 [0,0,0,1,0,0|2,0,1]=4 2574 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [0,0,0,1,0,0|2,0,1]=4 2575 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [0,0,0,1,0,0|2,0,1]=4 2576 B10R1.10 O=CCN1CCNC(=O)C1 2230a_100000184651_200015260668 [0,0,0,1,0,0|3,0,0]=4 2577 B10R1.10 O=CCN1CCOC(=O)C1 2230a_100000131268_200015260668 [0,0,0,1,0,0|2,0,0]=3 2578 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [0,0,0,1,0,0|2,0,1]=4 2579 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [0,0,0,1,0,0|1,0,2]=4 2580 B10R1.11 CCCC(=O)C1=COCC1 1458a_100000750620_100000210303 [0,0,0,1,0,0|2,0,1]=4 2581 B10R1.11 CCCC(=O)C1CC=CC1 1458a_100000759439_100000210303 [0,0,0,1,0,0|1,0,2]=4 2582 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [0,0,0,1,0,0|1,0,2]=4 2583 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [0,0,0,1,0,0|1,0,2]=4 2584 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [0,0,0,1,0,0|2,0,1]=4 2585 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [0,0,0,1,0,0|2,0,1]=4 2586 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [0,0,0,1,0,0|2,0,1]=4 2587 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [0,0,0,1,0,0|2,0,1]=4 2588 B10R1.11 CCNC(=O)C1=CCCC1 11a_100015525214_100000038896 [0,0,0,1,0,0|1,0,2]=4 2589 B10R1.11 CCNC(=O)C1=CCCC1 240690a_100015525214_100000038896 [0,0,0,1,0,0|1,0,2]=4 2590 B10R1.11 CCNC(=O)C1=COCC1 240690a_100015525214_100000750620 [0,0,0,1,0,0|2,0,1]=4 2591 B10R1.11 CCNC(=O)C1CC=CC1 11a_100015525214_100000759439 [0,0,0,1,0,0|1,0,2]=4 2592 B10R1.11 CCNC(=O)C1CC=CC1 240690a_100015525214_100000759439 [0,0,0,1,0,0|1,0,2]=4 2593 B10R1.11 CCNC(=O)C1CC=CC1 527a_100015525214_100000759439 [0,0,0,1,0,0|1,0,2]=4 2594 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [0,0,0,1,0,0|1,0,2]=4 2595 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [0,0,0,1,0,0|1,0,2]=4 2596 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [0,0,0,1,0,0|1,0,2]=4 2597 B10R1.11 CCNC(=O)C1CCCS1 11a_100015525214_100012002731 [0,0,0,1,0,0|2,0,1]=4 2598 B10R1.11 CCNC(=O)C1CCCS1 240690a_100015525214_100012002731 [0,0,0,1,0,0|2,0,1]=4 2599 B10R1.11 CCNC(=O)C1CCCS1 527a_100015525214_100012002731 [0,0,0,1,0,0|2,0,1]=4 2600 B10R1.11 CCNC(=O)C1CCOC1 11a_100015525214_100011219752 [0,0,0,1,0,0|2,0,1]=4 2601 B10R1.11 CCNC(=O)C1CCOC1 240690a_100015525214_100011219752 [0,0,0,1,0,0|2,0,1]=4 2602 B10R1.11 CCNC(=O)C1CCOC1 527a_100015525214_100011219752 [0,0,0,1,0,0|2,0,1]=4 2603 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [0,0,0,1,0,0|2,0,1]=4 2604 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [0,0,0,1,0,0|2,0,1]=4 2605 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [0,0,0,1,0,0|2,0,1]=4 2606 B10R1.21 C=CCCCN1CCCC1 2230a_100000188435_100011713584 [0,0,0,1,0,0|3,0,0]=4 2607 B10R1.21 C=CCCCN1CCCC1 269982a_100000188435_100000757094 [0,0,0,1,0,0|3,0,0]=4 2608 B10R1.21 C=CCCOC1CCCO1 34a_100000085407_100000754431 [0,0,0,1,0,0|2,0,1]=4 2609 B10R1.21 C=CCNCC1CCCO1 2230a_100020586998_100000203698 [0,0,0,1,0,0|2,0,1]=4 2610 B10R1.21 C=CCNCC1OCCO1 2230a_100000036311_100000210623 [0,0,0,1,0,0|1,0,2]=4 2611 B10R1.21 C=CCNCC1OCCO1 2230a_100020586998_100000755774 [0,0,0,1,0,0|1,0,2]=4 2612 B10R1.21 C=CCNCC1OCCO1 34a_100000036311_100015514636 [0,0,0,1,0,0|1,0,2]=4 2613 B10R1.21 C=CCNC[C@@H]1CCCO1 2230a_100020590478_100000210623 [0,0,0,1,0,0|2,0,1]=4 2614 B10R1.21 C=CCNC[C@@H]1CCCO1 34a_100020590478_100015514636 [0,0,0,1,0,0|2,0,1]=4 2615 B10R1.21 C=CCOCC1=NCCN1 34a_200000210373_100000737910 [0,0,0,1,0,0|3,0,0]=4 2616 B10R1.21 C=CCOCC1CCCO1 34a_100000210270_100015514636 [0,0,0,1,0,0|2,0,1]=4 2617 B10R1.21 C=CCOCC1CCCO1 7a_100000210270_100015514636 [0,0,0,1,0,0|2,0,1]=4 2618 B10R1.21 C=CCOCC1OCCO1 34a_100000087154_100015514636 [0,0,0,1,0,0|1,0,2]=4 2619 B10R1.21 C=CCOCC1OCCO1 34a_200000210373_100000755774 [0,0,0,1,0,0|1,0,2]=4 2620 B10R1.21 C=CCSCC1=NCCN1 62a_100000210623_100000737910 [0,0,0,1,0,0|3,0,0]=4 2621 B10R1.21 C=CCSCC1=NCCN1 62a_100000737910_100000210623 [0,0,0,1,0,0|3,0,0]=4 2622 B10R1.21 C=CCSCC1CCCO1 62a_100000203698_100000210623 [0,0,0,1,0,0|2,0,1]=4 2623 B10R1.21 C=CCSCC1CCCO1 62a_100000210623_100000203698 [0,0,0,1,0,0|2,0,1]=4 2624 B10R1.21 C=CCSCC1OCCO1 62a_100000210623_100000755774 [0,0,0,1,0,0|1,0,2]=4 2625 B10R1.21 C=CCSCC1OCCO1 62a_100000755774_100000210623 [0,0,0,1,0,0|1,0,2]=4 2626 B10R1.24 C=CCCCN1CC(C1)C 2230a_100000702820_100011713584 [0,0,0,1,0,0|3,0,0]=4 2627 B10R1.24 C=CCCCN1CC(C1)C 269982a_100000702820_100000757094 [0,0,0,1,0,0|3,0,0]=4 2628 B10R1.24 C=CCCCN1CC(C1)C 34a_100000702820_100000757094 [0,0,0,1,0,0|3,0,0]=4 2629 B10R1.29 C#CCNC1CCOC1=O 34a_100000212058_100000211211 [0,0,0,1,0,0|1,0,2]=4 2630 B10R1.29 C#CCOC1CCOC1=O 34a_100000210247_100000211211 [0,0,0,1,0,0|1,0,2]=4 2631 B10R1.29 C#CCSC1CCOC1=O 62a_100000038162_100000211211 [0,0,0,1,0,0|1,0,2]=4 2632 B10R1.29 C=CCNC1CCCC1=O 2230a_100020586998_100000211823 [0,0,0,1,0,0|2,0,0]=3 2633 B10R1.29 C=CCNC1CCNC1=O 2230a_100016995588_100000210623 [0,0,0,1,0,0|2,0,0]=3 2634 B10R1.29 C=CCNC1CCNC1=O 34a_100016995588_100015514636 [0,0,0,1,0,0|2,0,0]=3 2635 B10R1.29 C=CCNC1CCOC1=O 2230a_100020586998_100000211211 [0,0,0,1,0,0|1,0,0]=2 2636 B10R1.29 C=CCNC1CCOC1C 270004a_100020586998_100000691750 [0,0,0,1,0,0|2,0,1]=4 2637 B10R1.29 C=CCN[C@@H]1CONC1=O 2230a_100000765999_100000210623 [0,0,0,1,0,0|3,0,0]=4 2638 B10R1.29 C=CCN[C@@H]1CONC1=O 34a_100000765999_100015514636 [0,0,0,1,0,0|3,0,0]=4 2639 B10R1.29 C=CCOC1CCCC1=O 34a_200000210373_100000709159 [0,0,0,1,0,0|2,0,0]=3 2640 B10R1.29 C=CCOC1CCCC1=O 34a_200000719330_100015514636 [0,0,0,1,0,0|2,0,0]=3 2641 B10R1.29 C=CCOC1CCOC1=O 34a_200000210373_100000211211 [0,0,0,1,0,0|1,0,0]=2 2642 B10R1.29 C=CCO[C@H]1CCNC1=O 34a_100000688343_100015514636 [0,0,0,1,0,0|2,0,0]=3 2643 B10R1.29 C=CCSC1CCCC1=O 62a_100000210623_100000211823 [0,0,0,1,0,0|2,0,0]=3 2644 B10R1.29 C=CCSC1CCCC1=O 62a_100000211823_100000210623 [0,0,0,1,0,0|2,0,0]=3 2645 B10R1.29 C=CCSC1CCOC1=O 62a_100000210623_100000211211 [0,0,0,1,0,0|1,0,0]=2 2646 B10R1.29 C=CCSC1CCOC1=O 62a_100000211211_100000210623 [0,0,0,1,0,0|1,0,0]=2 2647 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [0,0,0,1,0,0|1,0,2]=4 2648 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [0,0,0,1,0,0|1,0,2]=4 2649 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [0,0,0,1,0,0|1,0,2]=4 2650 B10R1.29 COCSC1CCOC1=O 62a_100000211211_100000766300 [0,0,0,1,0,0|2,0,1]=4 2651 B10R1.29 COCSC1CCOC1=O 62a_100000766300_100000211211 [0,0,0,1,0,0|2,0,1]=4 2652 B10R1.29 CSCSC1CCOC1=O 62a_100000211211_100011218213 [0,0,0,1,0,0|2,0,1]=4 2653 B10R1.29 CSCSC1CCOC1=O 62a_100011218213_100000211211 [0,0,0,1,0,0|2,0,1]=4 2654 B10R1.29 N#CCSC1CCOC1=O 62a_100000211211_100011215382 [0,0,0,1,0,0|2,0,1]=4 2655 B10R1.29 N#CCSC1CCOC1=O 62a_100011215382_100000211211 [0,0,0,1,0,0|2,0,1]=4 2656 B10R1.29 NCCOC1CCOC1=O 34a_100000210304_100000211211 [0,0,0,1,0,0|2,0,1]=4 2657 B10R1.29 O=C1OCCC1NCCF 34a_100000724931_100000211211 [0,0,0,1,0,0|2,0,1]=4 2658 B10R1.29 O=C1OCCC1NCCO 2230a_100016997473_100000211211 [0,0,0,1,0,0|2,0,1]=4 2659 B10R1.29 O=C1OCCC1NCCO 34a_100016990907_100000211211 [0,0,0,1,0,0|2,0,1]=4 2660 B10R1.29 O=C1OCCC1OCCBr 34a_100000211926_100000211211 [0,0,0,1,0,0|2,0,1]=4 2661 B10R1.29 O=C1OCCC1SCCF 62a_100000211211_100011217306 [0,0,0,1,0,0|2,0,1]=4 2662 B10R1.29 O=C1OCCC1SCCF 62a_100011217306_100000211211 [0,0,0,1,0,0|2,0,1]=4 2663 B10R1.29 O=C1OCCC1SCCO 62a_100000211211_100000211926 [0,0,0,1,0,0|2,0,1]=4 2664 B10R1.29 O=C1OCCC1SCCO 62a_100000211926_100000211211 [0,0,0,1,0,0|2,0,1]=4 2665 B10R1.29 O=CCNC1CCNC1=O 2230a_100016995588_200015260668 [0,0,0,1,0,0|3,0,0]=4 2666 B10R1.29 O=CCNC1CCNC1=O 34a_100016995588_200009817547 [0,0,0,1,0,0|3,0,0]=4 2667 B10R1.29 O=CCOC1CCCC1=O 34a_200000719330_200009817547 [0,0,0,1,0,0|3,0,0]=4 2668 B10R1.29 O=CCO[C@H]1CCNC1=O 34a_100000688343_200009817547 [0,0,0,1,0,0|3,0,0]=4 2669 B10R1.29 O=CCSC1CCCC1=O 62a_100000211823_200015260668 [0,0,0,1,0,0|3,0,0]=4 2670 B10R1.29 O=CCSC1CCCC1=O 62a_200015260668_100000211823 [0,0,0,1,0,0|3,0,0]=4 2671 B10R1.29 O=CCSC1CCOC1=O 62a_100000211211_200015260668 [0,0,0,1,0,0|2,0,0]=3 2672 B10R1.29 O=CCSC1CCOC1=O 62a_200015260668_100000211211 [0,0,0,1,0,0|2,0,0]=3 2673 B10R1.92 C=CCN1CC(C1)OCC 269982a_100000732654_100000210623 [0,0,0,1,0,0|2,0,1]=4 2674 B10R1.92 C=CCN1CC(C1)OCC 34a_100000732654_100015514636 [0,0,0,1,0,0|2,0,1]=4 2675 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [0,0,0,1,0,0|1,0,2]=4 2676 B10R1.135 CCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210303 [0,0,0,1,0,0|2,0,1]=4 2677 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [0,0,0,1,0,0|1,0,2]=4 2678 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [0,0,0,1,0,0|1,0,2]=4 2679 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [0,0,0,1,0,0|1,0,2]=4 2680 B10R1.135 CCNC(=O)[C@@H]1C[C@H]1C#N 11a_100015525214_100015294237 [0,0,0,1,0,0|2,0,1]=4 2681 B10R1.135 CCNC(=O)[C@@H]1C[C@H]1C#N 240690a_100015525214_100015294237 [0,0,0,1,0,0|2,0,1]=4 2682 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [0,0,0,1,0,0|1,0,2]=4 2683 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [0,0,0,1,0,0|1,0,2]=4 2684 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [0,0,0,1,0,0|2,0,1]=4 2685 B10R1.137 CCCC(=O)CC1COC1 1458a_100000211992_100010264016 [0,0,0,1,0,0|2,0,1]=4 2686 B10R1.137 CCCC(=O)CC1COC1 1458a_100000687760_100000210303 [0,0,0,1,0,0|2,0,1]=4 2687 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [0,0,0,1,0,0|1,0,2]=4 2688 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [0,0,0,1,0,0|1,0,2]=4 2689 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [0,0,0,1,0,0|1,0,2]=4 2690 B10R1.137 CCNC(=O)CC1COC1 11a_100015525214_100000687760 [0,0,0,1,0,0|2,0,1]=4 2691 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [0,0,0,1,0,0|1,0,2]=4 2692 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [0,0,0,1,0,0|1,0,2]=4 2693 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [0,0,0,1,0,0|1,0,2]=4 2694 B10R1.138 CCCC(=O)CCC1CO1 1458a_100000211992_100000732470 [0,0,0,1,0,0|2,0,1]=4 2695 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [0,0,0,1,0,0|1,0,2]=4 2696 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [0,0,0,1,0,0|1,0,2]=4 2697 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [0,0,0,1,0,0|1,0,2]=4 2698 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [0,0,0,1,0,0|1,0,2]=4 2699 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [0,0,0,1,0,0|1,0,2]=4 2700 B10R1.139 CC#CC(=O)C1CCC1=O 1458a_100000763181_100009892977 [0,0,0,1,0,0|2,0,1]=4 2701 B10R1.139 CC=CC(=O)C1CCC1=O 1458a_100000210699_100009892977 [0,0,0,1,0,0|2,0,1]=4 2702 B10R1.139 CCCC(=O)C1CCC1=O 1458a_100000211992_100009892977 [0,0,0,1,0,0|2,0,0]=3 2703 B10R1.139 COCC(=O)C1CCC1=O 1458a_100000210968_100009892977 [0,0,0,1,0,0|3,0,0]=4 2704 B10R1.139 CSCC(=O)C1CCC1=O 1458a_100000184570_100009892977 [0,0,0,1,0,0|3,0,0]=4 2705 B10R1.139 O=C(CCO)C1CCC1=O 1458a_100011216618_100009892977 [0,0,0,1,0,0|3,0,0]=4 2706 B10R1.186 C#CCCCC(=O)C1CC1 1458a_100000210395_100000731252 [0,0,0,1,0,0|1,0,2]=4 2707 B10R1.186 C=CCCCC(=O)C1CC1 1458a_100000210395_100000757094 [0,0,0,1,0,0|1,0,0]=2 2708 B10R1.186 C=CCCCC(=O)C1CO1 1458a_100000701028_100000757094 [0,0,0,1,0,0|2,0,0]=3 2709 B10R1.186 C=CCCCN(C)C1CC1 2230a_100000226674_100011713584 [0,0,0,1,0,0|3,0,0]=4 2710 B10R1.186 C=CCCCN(C)C1CC1 269982a_100000226674_100000757094 [0,0,0,1,0,0|3,0,0]=4 2711 B10R1.186 C=CCCNC(=O)C1CC1 11a_100015191253_100000210395 [0,0,0,1,0,0|2,0,0]=3 2712 B10R1.186 C=CCCNC(=O)C1CC1 1626a_100015191253_100000210395 [0,0,0,1,0,0|2,0,0]=3 2713 B10R1.186 C=CCCNC(=O)C1CC1 240690a_100015191253_100000210395 [0,0,0,1,0,0|2,0,0]=3 2714 B10R1.186 C=CCCNC(=O)C1CC1 527a_100015191253_100000210395 [0,0,0,1,0,0|2,0,0]=3 2715 B10R1.186 C=CCCNC(=O)C1CO1 11a_100015191253_100000701028 [0,0,0,1,0,0|3,0,0]=4 2716 B10R1.186 C=CCCNC(=O)C1CO1 1626a_100015191253_100000701028 [0,0,0,1,0,0|3,0,0]=4 2717 B10R1.186 C=CCCNC(=O)C1CO1 240690a_100015191253_100000701028 [0,0,0,1,0,0|3,0,0]=4 2718 B10R1.186 C=CCCNC(=O)C1CO1 527a_100015191253_100000701028 [0,0,0,1,0,0|3,0,0]=4 2719 B10R1.186 C=CCNCC(=O)C1CC1 2230a_100020586998_100000746382 [0,0,0,1,0,0|2,0,0]=3 2720 B10R1.186 C=CCNNC(=O)C1CC1 22a_100020588587_100000210395 [0,0,0,1,0,0|3,0,0]=4 2721 B10R1.186 C=CCOCC(=O)C1CC1 34a_100000686663_100015514636 [0,0,0,1,0,0|2,0,0]=3 2722 B10R1.186 C=CCOCC(=O)C1CC1 34a_200000210373_100000746382 [0,0,0,1,0,0|2,0,0]=3 2723 B10R1.186 C=CCSCC(=O)C1CC1 62a_100000210623_100000746382 [0,0,0,1,0,0|2,0,0]=3 2724 B10R1.186 C=CCSCC(=O)C1CC1 62a_100000746382_100000210623 [0,0,0,1,0,0|2,0,0]=3 2725 B10R1.186 C=COCCC(=O)C1CC1 1458a_100000210395_100000039644 [0,0,0,1,0,0|2,0,0]=3 2726 B10R1.186 C=COCCC(=O)C1CO1 1458a_100000701028_100000039644 [0,0,0,1,0,0|3,0,0]=4 2727 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [0,0,0,1,0,0|1,0,2]=4 2728 B10R1.186 COCCCC(=O)C1CC1 1458a_100000210395_100000740836 [0,0,0,1,0,0|2,0,1]=4 2729 B10R1.186 N#CCCCC(=O)C1CC1 1458a_100000210395_100000211468 [0,0,0,1,0,0|2,0,1]=4 2730 B10R1.186 O=C(CCCCF)C1CC1 1458a_100000210395_100000729493 [0,0,0,1,0,0|2,0,1]=4 2731 B10R1.186 O=C(CCCCO)C1CC1 1458a_100000210395_100000210776 [0,0,0,1,0,0|2,0,1]=4 2732 B10R1.186 O=CCOCC(=O)C1CC1 34a_100000686663_200009817547 [0,0,0,1,0,0|3,0,0]=4 2733 B10R1.186 O=CCSCC(=O)C1CC1 62a_100000746382_200015260668 [0,0,0,1,0,0|3,0,0]=4 2734 B10R1.186 O=CCSCC(=O)C1CC1 62a_200015260668_100000746382 [0,0,0,1,0,0|3,0,0]=4 2735 B10R1.245 CNC1C(=O)CCCC1=O 2230a_106832991635_100009814513 [0,0,0,1,0,0|3,0,0]=4 2736 B10R1.245 CNC1C(=O)CCCC1=O 7a_106832991635_100009814513 [0,0,0,1,0,0|3,0,0]=4 2737 B10R1.245 CSC1C(=O)CCCC1=O 62a_100009814513_200000210301 [0,0,0,1,0,0|3,0,0]=4 2738 B10R1.245 CSC1C(=O)CCCC1=O 62a_200000210301_100009814513 [0,0,0,1,0,0|3,0,0]=4 2739 B10R1.245 [13CH3]SC1C(=O)CCCC1=O 62a_100009814513_200025704644 [0,0,0,1,0,0|3,0,0]=4 2740 B10R1.245 [13CH3]SC1C(=O)CCCC1=O 62a_200025704644_100009814513 [0,0,0,1,0,0|3,0,0]=4 2741 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [2,0,0,0,0,0|0,0,2]=4 2742 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [2,0,0,0,0,0|0,0,2]=4 2743 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [2,0,0,0,0,0|0,0,2]=4 2744 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [2,0,0,0,0,0|0,0,2]=4 2745 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [2,0,0,0,0,0|1,0,1]=4 2746 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [2,0,0,0,0,0|1,0,1]=4 2747 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [2,0,0,0,0,0|1,0,1]=4 2748 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [2,0,0,0,0,0|1,0,1]=4 2749 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [2,0,0,0,0,0|1,0,1]=4 2750 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [2,0,0,0,0,0|1,0,1]=4 2751 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [2,0,0,0,0,0|1,0,1]=4 2752 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [2,0,0,0,0,0|0,0,1]=3 2753 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [2,0,0,0,0,0|0,0,1]=3 2754 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [2,0,0,0,0,0|0,0,1]=3 2755 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [2,0,0,0,0,0|0,0,1]=3 2756 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [2,0,0,0,0,0|0,0,1]=3 2757 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [2,0,0,0,0,0|0,1,1]=4 2758 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [2,0,0,0,0,0|0,1,1]=4 2759 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [2,0,0,0,0,0|0,1,1]=4 2760 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [2,0,0,0,0,0|0,1,1]=4 2761 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [2,0,0,0,0,0|1,0,0]=3 2762 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [2,0,0,0,0,0|1,0,0]=3 2763 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [2,0,0,0,0,0|1,0,0]=3 2764 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [2,0,0,0,0,0|2,0,0]=4 2765 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [2,0,0,0,0,0|0,0,0]=2 2766 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [2,0,0,0,0,0|0,0,0]=2 2767 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [2,0,0,0,0,0|0,0,0]=2 2768 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [2,0,0,0,0,0|1,0,0]=3 2769 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [2,0,0,0,0,0|1,0,0]=3 2770 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [2,0,0,0,0,0|0,1,0]=3 2771 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [2,0,0,0,0,0|0,1,0]=3 2772 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [2,0,0,0,0,0|1,1,0]=4 2773 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [2,0,0,0,0,0|1,1,0]=4 2774 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [2,0,0,0,0,0|1,0,1]=4 2775 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [2,0,0,0,0,0|1,0,1]=4 2776 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [2,0,0,0,0,0|1,0,1]=4 2777 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [2,0,0,0,0,0|1,0,1]=4 2778 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [2,0,0,0,0,0|1,0,1]=4 2779 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [2,0,0,0,0,0|1,0,1]=4 2780 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [2,0,0,0,0,0|1,0,1]=4 2781 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [2,0,0,0,0,0|1,0,1]=4 2782 B7R0.1 C=CCNCC=CC 2230a_100020586998_100000070051 [2,0,0,0,0,0|1,0,1]=4 2783 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [2,0,0,0,0,0|1,0,1]=4 2784 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [2,0,0,0,0,0|1,0,1]=4 2785 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [2,0,0,0,0,0|1,0,1]=4 2786 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [2,0,0,0,0,0|1,0,1]=4 2787 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [2,0,0,0,0,0|1,0,1]=4 2788 B7R0.1 C=CCOC/C=C/C 34a_100016270725_100015514636 [2,0,0,0,0,0|1,0,1]=4 2789 B7R0.1 C=CCOC/C=C/C 34a_200000210373_100102629194 [2,0,0,0,0,0|1,0,1]=4 2790 B7R0.1 C=CCOCC=CC 34a_200000210373_100000070051 [2,0,0,0,0,0|1,0,1]=4 2791 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [2,0,0,0,0,0|1,0,1]=4 2792 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [2,0,0,0,0,0|1,0,1]=4 2793 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [2,0,0,0,0,0|1,0,1]=4 2794 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [2,0,0,0,0,0|1,0,1]=4 2795 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [2,0,0,0,0,0|1,0,1]=4 2796 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [2,0,0,0,0,0|1,0,1]=4 2797 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [2,0,0,0,0,0|1,0,1]=4 2798 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [2,0,0,0,0,0|1,0,1]=4 2799 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [2,0,0,0,0,0|1,0,1]=4 2800 B7R0.1 C=CCSC/C=C/C 62a_100000210623_100102629194 [2,0,0,0,0,0|1,0,1]=4 2801 B7R0.1 C=CCSC/C=C/C 62a_100102629194_100000210623 [2,0,0,0,0,0|1,0,1]=4 2802 B7R0.1 C=CCSCC=CC 62a_100000070051_100000210623 [2,0,0,0,0,0|1,0,1]=4 2803 B7R0.1 C=CCSCC=CC 62a_100000210623_100000070051 [2,0,0,0,0,0|1,0,1]=4 2804 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [2,0,0,0,0,0|1,0,1]=4 2805 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [2,0,0,0,0,0|1,0,1]=4 2806 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [2,0,0,0,0,0|1,0,1]=4 2807 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [2,0,0,0,0,0|1,0,1]=4 2808 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [2,0,0,0,0,0|1,0,0]=3 2809 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [2,0,0,0,0,0|1,0,0]=3 2810 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [2,0,0,0,0,0|2,0,0]=4 2811 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [2,0,0,0,0,0|1,0,0]=3 2812 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [2,0,0,0,0,0|1,0,0]=3 2813 B7R0.1 C=COCCOCF 34a_100000033082_100015361967 [2,0,0,0,0,0|2,0,0]=4 2814 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [2,0,0,0,0,0|1,1,0]=4 2815 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [2,0,0,0,0,0|1,1,0]=4 2816 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|0,0,2]=4 2817 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|0,0,2]=4 2818 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|0,0,2]=4 2819 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [2,0,0,0,0,0|2,0,0]=4 2820 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [2,0,0,0,0,0|1,0,1]=4 2821 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [2,0,0,0,0,0|1,0,1]=4 2822 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [2,0,0,0,0,0|1,0,1]=4 2823 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [2,0,0,0,0,0|1,0,1]=4 2824 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [2,0,0,0,0,0|1,0,1]=4 2825 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [2,0,0,0,0,0|1,0,1]=4 2826 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [2,0,0,0,0,0|1,0,1]=4 2827 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [2,0,0,0,0,0|1,0,1]=4 2828 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [2,0,0,0,0,0|1,0,1]=4 2829 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [2,0,0,0,0,0|1,0,1]=4 2830 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [2,0,0,0,0,0|1,0,1]=4 2831 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [2,0,0,0,0,0|1,0,1]=4 2832 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [2,0,0,0,0,0|1,0,1]=4 2833 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [2,0,0,0,0,0|1,0,1]=4 2834 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [2,0,0,0,0,0|1,0,1]=4 2835 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [2,0,0,0,0,0|1,0,1]=4 2836 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [2,0,0,0,0,0|1,0,1]=4 2837 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [2,0,0,0,0,0|1,0,1]=4 2838 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [2,0,0,0,0,0|1,0,1]=4 2839 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [2,0,0,0,0,0|1,0,1]=4 2840 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [2,0,0,0,0,0|1,0,1]=4 2841 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [2,0,0,0,0,0|1,0,1]=4 2842 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [2,0,0,0,0,0|1,0,1]=4 2843 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [2,0,0,0,0,0|1,0,1]=4 2844 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [2,0,0,0,0,0|1,0,1]=4 2845 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [2,0,0,0,0,0|1,0,1]=4 2846 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [2,0,0,0,0,0|1,0,1]=4 2847 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [2,0,0,0,0,0|1,0,1]=4 2848 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [2,0,0,0,0,0|1,0,1]=4 2849 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [2,0,0,0,0,0|1,0,1]=4 2850 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [2,0,0,0,0,0|2,0,0]=4 2851 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [2,0,0,0,0,0|2,0,0]=4 2852 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [2,0,0,0,0,0|1,1,0]=4 2853 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [2,0,0,0,0,0|1,1,0]=4 2854 B7R0.3 C#CC(=O)CCC=C 1458a_100000211873_100000754431 [2,0,0,0,0,0|0,0,2]=4 2855 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [2,0,0,0,0,0|0,0,2]=4 2856 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [2,0,0,0,0,0|0,0,2]=4 2857 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [2,0,0,0,0,0|0,0,2]=4 2858 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [2,0,0,0,0,0|0,0,2]=4 2859 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [2,0,0,0,0,0|0,0,2]=4 2860 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [2,0,0,0,0,0|0,0,0]=2 2861 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [2,0,0,0,0,0|0,0,0]=2 2862 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [2,0,0,0,0,0|1,0,0]=3 2863 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [2,0,0,0,0,0|1,0,0]=3 2864 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [2,0,0,0,0,0|1,0,0]=3 2865 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [2,0,0,0,0,0|1,0,0]=3 2866 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [2,0,0,0,0,0|1,0,0]=3 2867 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [2,0,0,0,0,0|1,0,0]=3 2868 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [2,0,0,0,0,0|1,0,1]=4 2869 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [2,0,0,0,0,0|1,0,1]=4 2870 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [2,0,0,0,0,0|1,0,1]=4 2871 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [2,0,0,0,0,0|1,0,1]=4 2872 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [2,0,0,0,0,0|2,0,0]=4 2873 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [2,0,0,0,0,0|2,0,0]=4 2874 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [2,0,0,0,0,0|2,0,0]=4 2875 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [2,0,0,0,0,0|2,0,0]=4 2876 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [2,0,0,0,0,0|1,0,0]=3 2877 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [2,0,0,0,0,0|1,0,0]=3 2878 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [2,0,0,0,0,0|1,0,0]=3 2879 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [2,0,0,0,0,0|2,0,0]=4 2880 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [2,0,0,0,0,0|2,0,0]=4 2881 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [2,0,0,0,0,0|2,0,0]=4 2882 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [2,0,0,0,0,0|2,0,0]=4 2883 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [2,0,0,0,0,0|2,0,0]=4 2884 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [2,0,0,0,0,0|2,0,0]=4 2885 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [2,0,0,0,0,0|2,0,0]=4 2886 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [2,0,0,0,0,0|0,0,2]=4 2887 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [2,0,0,0,0,0|0,0,2]=4 2888 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [2,0,0,0,0,0|1,0,1]=4 2889 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [2,0,0,0,0,0|1,0,1]=4 2890 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [2,0,0,0,0,0|1,0,0]=3 2891 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [2,0,0,0,0,0|1,0,0]=3 2892 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [2,0,0,0,0,0|1,0,1]=4 2893 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [2,0,0,0,0,0|1,0,1]=4 2894 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [2,0,0,0,0,0|1,0,1]=4 2895 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [2,0,0,0,0,0|1,0,1]=4 2896 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [2,0,0,0,0,0|2,0,0]=4 2897 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [2,0,0,0,0,0|2,0,0]=4 2898 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [2,0,0,0,0,0|2,0,0]=4 2899 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 2900 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 2901 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 2902 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 2903 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [2,0,0,0,0,0|2,0,0]=4 2904 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [2,0,0,0,0,0|2,0,0]=4 2905 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [2,0,0,0,0,0|0,0,1]=3 2906 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [2,0,0,0,0,0|0,0,1]=3 2907 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [2,0,0,0,0,0|1,0,1]=4 2908 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [2,0,0,0,0,0|1,0,1]=4 2909 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [2,0,0,0,0,0|1,0,1]=4 2910 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [2,0,0,0,0,0|1,0,1]=4 2911 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [2,0,0,0,0,0|1,0,1]=4 2912 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [2,0,0,0,0,0|1,0,1]=4 2913 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [2,0,0,0,0,0|1,0,1]=4 2914 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [2,0,0,0,0,0|1,0,1]=4 2915 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [2,0,0,0,0,0|1,0,1]=4 2916 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [2,0,0,0,0,0|1,0,1]=4 2917 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [2,0,0,0,0,0|1,0,1]=4 2918 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [2,0,0,0,0,0|1,0,1]=4 2919 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [2,0,0,0,0,0|1,0,1]=4 2920 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [2,0,0,0,0,0|1,0,1]=4 2921 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [2,0,0,0,0,0|1,0,1]=4 2922 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [2,0,0,0,0,0|1,0,1]=4 2923 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [2,0,0,0,0,0|1,0,1]=4 2924 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [2,0,0,0,0,0|1,0,1]=4 2925 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [2,0,0,0,0,0|1,0,1]=4 2926 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [2,0,0,0,0,0|1,0,1]=4 2927 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [2,0,0,0,0,0|1,0,1]=4 2928 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [2,0,0,0,0,0|1,0,1]=4 2929 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [2,0,0,0,0,0|1,0,1]=4 2930 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [2,0,0,0,0,0|1,0,1]=4 2931 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [2,0,0,0,0,0|1,0,1]=4 2932 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [2,0,0,0,0,0|1,0,1]=4 2933 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [2,0,0,0,0,0|2,0,0]=4 2934 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [2,0,0,0,0,0|2,0,0]=4 2935 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [2,0,0,0,0,0|1,0,1]=4 2936 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [2,0,0,0,0,0|2,0,0]=4 2937 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [2,0,0,0,0,0|2,0,0]=4 2938 B7R0.7 C=CCC(=O)C#CC 1458a_100000763181_100000210623 [2,0,0,0,0,0|1,0,1]=4 2939 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [2,0,0,0,0,0|1,0,1]=4 2940 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [2,0,0,0,0,0|1,0,0]=3 2941 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [2,0,0,0,0,0|1,0,0]=3 2942 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [2,0,0,0,0,0|2,0,0]=4 2943 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [2,0,0,0,0,0|2,0,0]=4 2944 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [2,0,0,0,0,0|2,0,0]=4 2945 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [2,0,0,0,0,0|2,0,0]=4 2946 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [2,0,0,0,0,0|2,0,0]=4 2947 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [2,0,0,0,0,0|1,0,0]=3 2948 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [2,0,0,0,0,0|1,0,0]=3 2949 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [2,0,0,0,0,0|1,0,0]=3 2950 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [2,0,0,0,0,0|2,0,0]=4 2951 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [2,0,0,0,0,0|1,0,1]=4 2952 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [2,0,0,0,0,0|1,0,1]=4 2953 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [2,0,0,0,0,0|1,0,1]=4 2954 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [2,0,0,0,0,0|1,0,1]=4 2955 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [2,0,0,0,0,0|1,0,0]=3 2956 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [2,0,0,0,0,0|2,0,0]=4 2957 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [2,0,0,0,0,0|2,0,0]=4 2958 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [2,0,0,0,0,0|2,0,0]=4 2959 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [2,0,0,0,0,0|2,0,0]=4 2960 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [2,0,0,0,0,0|2,0,0]=4 2961 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [2,0,0,0,0,0|2,0,0]=4 2962 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [2,0,0,0,0,0|2,0,0]=4 2963 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [2,0,0,0,0,0|2,0,0]=4 2964 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [2,0,0,0,0,0|2,0,0]=4 2965 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [2,0,0,0,0,0|2,0,0]=4 2966 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [2,0,0,0,0,0|2,0,0]=4 2967 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 2968 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 2969 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 2970 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [2,0,0,0,0,0|2,0,0]=4 2971 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [2,0,0,0,0,0|1,0,1]=4 2972 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [2,0,0,0,0,0|1,0,1]=4 2973 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [2,0,0,0,0,0|1,0,1]=4 2974 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [2,0,0,0,0,0|2,0,0]=4 2975 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [2,0,0,0,0,0|2,0,0]=4 2976 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 2977 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [2,0,0,0,0,0|2,0,0]=4 2978 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 2979 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [2,0,0,0,0,0|2,0,0]=4 2980 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 2981 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 2982 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [2,0,0,0,0,0|2,0,0]=4 2983 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 2984 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 2985 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 2986 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 2987 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [2,0,0,0,0,0|2,0,0]=4 2988 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [2,0,0,0,0,0|2,0,0]=4 2989 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [2,0,0,0,0,0|2,0,0]=4 2990 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [2,0,0,0,0,0|2,0,0]=4 2991 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 2992 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 2993 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 2994 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [2,0,0,0,0,0|1,0,0]=3 2995 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [2,0,0,0,0,0|1,0,0]=3 2996 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [2,0,0,0,0,0|1,0,0]=3 2997 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [2,0,0,0,0,0|1,0,0]=3 2998 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [2,0,0,0,0,0|1,0,0]=3 2999 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [2,0,0,0,0,0|1,0,0]=3 3000 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [2,0,0,0,0,0|1,0,0]=3 3001 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [2,0,0,0,0,0|1,0,0]=3 3002 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [2,0,0,0,0,0|0,0,2]=4 3003 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [2,0,0,0,0,0|0,0,2]=4 3004 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [2,0,0,0,0,0|0,0,2]=4 3005 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [2,0,0,0,0,0|0,0,0]=2 3006 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [2,0,0,0,0,0|0,0,0]=2 3007 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [2,0,0,0,0,0|0,0,0]=2 3008 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [2,0,0,0,0,0|2,0,0]=4 3009 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [2,0,0,0,0,0|2,0,0]=4 3010 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [2,0,0,0,0,0|1,0,0]=3 3011 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [2,0,0,0,0,0|1,0,0]=3 3012 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [2,0,0,0,0,0|1,0,0]=3 3013 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [2,0,0,0,0,0|1,0,0]=3 3014 B7R0.4 C=CCNCC(=C)C 2230a_100020586998_100000748629 [2,0,0,0,0,0|2,0,0]=4 3015 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [2,0,0,0,0,0|2,0,0]=4 3016 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [2,0,0,0,0,0|2,0,0]=4 3017 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [2,0,0,0,0,0|1,0,0]=3 3018 B7R0.4 C=CCNNC(=O)C 22a_100020588587_100000070787 [2,0,0,0,0,0|2,0,0]=4 3019 B7R0.4 C=CCOCC(=C)C 34a_100000210245_100015514636 [2,0,0,0,0,0|2,0,0]=4 3020 B7R0.4 C=CCOCC(=C)C 34a_200000210373_100000748629 [2,0,0,0,0,0|2,0,0]=4 3021 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [2,0,0,0,0,0|1,0,0]=3 3022 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [2,0,0,0,0,0|2,0,0]=4 3023 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [2,0,0,0,0,0|1,0,1]=4 3024 B7R0.4 C=CCSCC(=C)C 62a_100000210623_100000211660 [2,0,0,0,0,0|2,0,0]=4 3025 B7R0.4 C=CCSCC(=C)C 62a_100000748629_100000210623 [2,0,0,0,0,0|2,0,0]=4 3026 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [2,0,0,0,0,0|1,0,0]=3 3027 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [2,0,0,0,0,0|2,0,0]=4 3028 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [2,0,0,0,0,0|2,0,0]=4 3029 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [2,0,0,0,0,0|1,0,0]=3 3030 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [2,0,0,0,0,0|1,0,1]=4 3031 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [2,0,0,0,0,0|1,0,1]=4 3032 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [2,0,0,0,0,0|1,0,0]=3 3033 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [2,0,0,0,0,0|1,0,1]=4 3034 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [2,0,0,0,0,0|1,0,1]=4 3035 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [2,0,0,0,0,0|1,0,1]=4 3036 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|1,0,1]=4 3037 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|1,0,1]=4 3038 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [2,0,0,0,0,0|1,0,1]=4 3039 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [2,0,0,0,0,0|1,0,1]=4 3040 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [2,0,0,0,0,0|1,0,1]=4 3041 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [2,0,0,0,0,0|1,0,1]=4 3042 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [2,0,0,0,0,0|2,0,0]=4 3043 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|0,0,2]=4 3044 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|0,0,2]=4 3045 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|0,0,2]=4 3046 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [2,0,0,0,0,0|1,0,1]=4 3047 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [2,0,0,0,0,0|1,0,1]=4 3048 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [2,0,0,0,0,0|1,0,1]=4 3049 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [2,0,0,0,0,0|1,0,1]=4 3050 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [2,0,0,0,0,0|1,0,1]=4 3051 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [2,0,0,0,0,0|1,0,1]=4 3052 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [2,0,0,0,0,0|1,0,1]=4 3053 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [2,0,0,0,0,0|1,0,1]=4 3054 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [2,0,0,0,0,0|1,0,1]=4 3055 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [2,0,0,0,0,0|1,0,1]=4 3056 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [2,0,0,0,0,0|1,0,1]=4 3057 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [2,0,0,0,0,0|1,0,1]=4 3058 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [2,0,0,0,0,0|2,0,0]=4 3059 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [2,0,0,0,0,0|1,0,1]=4 3060 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|1,0,1]=4 3061 B9R0.4 C=CCCC(=O)C=C(C)C 1458a_100000211388_100000754431 [1,1,0,0,0,0|1,0,1]=4 3062 B9R0.4 C=CCCC(=O)C=C(C)Cl 1458a_200042562850_100000754431 [1,1,0,0,0,0|1,0,1]=4 3063 B9R0.4 C=CCCC(=O)C=C(C)I 1458a_100025716642_100000754431 [1,1,0,0,0,0|1,0,1]=4 3064 B9R0.4 C=CCCC(=O)CC(=C)C 1458a_100000749702_100000748629 [1,1,0,0,0,0|1,0,1]=4 3065 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000210554_100000754431 [1,1,0,0,0,0|1,0,0]=3 3066 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000749702_100000210624 [1,1,0,0,0,0|1,0,0]=3 3067 B9R0.4 C=CCCC(=O)CC(C)O 1458a_100000749702_100011218427 [1,1,0,0,0,0|1,0,0]=3 3068 B9R0.4 C=CCCC(=O)CC(F)F 1458a_100000749702_100011934356 [1,1,0,0,0,0|2,0,0]=4 3069 B9R0.4 C=CCCC(=O)CN(C)C 1458a_100000750896_100000754431 [1,1,0,0,0,0|2,0,0]=4 3070 B9R0.4 C=CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000754431 [1,1,0,0,0,0|1,0,0]=3 3071 B9R0.4 C=CCCC(=O)C[S+](C)C 1458a_200159257847_100000754431 [1,1,0,0,0,0|2,0,0]=4 3072 B9R0.4 C=CCCC(=O)NC(C)C 11a_100138425928_100000749702 [1,1,0,0,0,0|1,0,0]=3 3073 B9R0.4 C=CCCC(=O)NC(C)C 1626a_100138425928_100000749702 [1,1,0,0,0,0|1,0,0]=3 3074 B9R0.4 C=CCCC(=O)NC(C)C 240690a_100138425928_100000749702 [1,1,0,0,0,0|1,0,0]=3 3075 B9R0.4 C=CCCC(=O)NC(C)C 527a_100138425928_100000749702 [1,1,0,0,0,0|1,0,0]=3 3076 B9R0.4 C=CCCC(C)OC(C)C 34a_100000765329_100000210206 [1,1,0,0,0,0|1,0,1]=4 3077 B9R0.4 C=CCCC(C)OC(C)C 7a_100000765329_100000210206 [1,1,0,0,0,0|1,0,1]=4 3078 B9R0.4 C=CCNC(=O)CC(C)C 1626a_100020586998_100000210554 [1,1,0,0,0,0|2,0,0]=4 3079 B9R0.4 C=CCNC(=O)CC(C)C 240690a_100020586998_100000210554 [1,1,0,0,0,0|2,0,0]=4 3080 B9R0.4 C=CCNC(=O)CC(C)C 527a_100020586998_100000210554 [1,1,0,0,0,0|2,0,0]=4 3081 B9R0.4 C=CCNC(=O)C[C@@H](C)O 240690a_100020586998_100011933948 [1,1,0,0,0,0|2,0,0]=4 3082 B9R0.4 C=CCNC(=O)NC(C)C 2708a_100138425928_100020586998 [1,1,0,0,0,0|2,0,0]=4 3083 B9R0.4 C=CCNC(=O)NC(C)C 273464a_100138425928_100020586998 [1,1,0,0,0,0|2,0,0]=4 3084 B9R0.4 C=CCNC(=O)NC(C)C 512a_100020586998_100138425928 [1,1,0,0,0,0|2,0,0]=4 3085 B9R0.4 C=CCNC(=O)NC(C)C 512a_100138425928_100020586998 [1,1,0,0,0,0|2,0,0]=4 3086 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [1,1,0,0,0,0|2,0,0]=4 3087 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [1,1,0,0,0,0|2,0,0]=4 3088 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [1,1,0,0,0,0|1,0,1]=4 3089 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [1,1,0,0,0,0|1,0,1]=4 3090 B9R0.4 CC(C)OC(=O)CSCF 62a_100011215430_100015361967 [1,1,0,0,0,0|2,0,0]=4 3091 B9R0.4 CC(C)OC(=O)CSCF 62a_100015361967_100011215430 [1,1,0,0,0,0|2,0,0]=4 3092 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [1,1,0,0,0,0|1,0,1]=4 3093 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [1,1,0,0,0,0|1,0,1]=4 3094 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [1,1,0,0,0,0|1,0,1]=4 3095 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [1,1,0,0,0,0|1,0,1]=4 3096 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [1,1,0,0,0,0|1,0,1]=4 3097 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [1,1,0,0,0,0|1,0,1]=4 3098 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [1,1,0,0,0,0|1,0,1]=4 3099 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [1,1,0,0,0,0|1,0,1]=4 3100 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [1,1,0,0,0,0|1,0,1]=4 3101 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [1,1,0,0,0,0|1,0,1]=4 3102 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [1,1,0,0,0,0|1,0,1]=4 3103 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [1,1,0,0,0,0|1,0,1]=4 3104 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [1,1,0,0,0,0|1,0,1]=4 3105 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [1,1,0,0,0,0|1,0,1]=4 3106 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [1,1,0,0,0,0|1,0,1]=4 3107 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [1,1,0,0,0,0|1,0,1]=4 3108 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [1,1,0,0,0,0|2,0,0]=4 3109 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [1,1,0,0,0,0|2,0,0]=4 3110 B9R0.8 C=CCCC(=O)/C(=C/C)/C 1458a_100020587367_100000754431 [1,1,0,0,0,0|1,0,1]=4 3111 B9R0.8 C=CCCC(=O)C(=O)NC 1458a_100011218921_100000754431 [1,1,0,0,0,0|2,0,0]=4 3112 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100000749702_100000758301 [1,1,0,0,0,0|1,0,0]=3 3113 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100011192722_100000754431 [1,1,0,0,0,0|1,0,0]=3 3114 B9R0.8 C=CCCC(=O)C(C)OC 1458a_100000743197_100000754431 [1,1,0,0,0,0|2,0,0]=4 3115 B9R0.8 C=CCCC(=O)C(C)SC 1458a_100000149566_100000754431 [1,1,0,0,0,0|2,0,0]=4 3116 B9R0.8 C=CCCC(=O)C(O)CC 1458a_100011196387_100000754431 [1,1,0,0,0,0|1,0,0]=3 3117 B9R0.8 C=CCCC(=O)C(O)CO 1458a_100011215603_100000754431 [1,1,0,0,0,0|2,0,0]=4 3118 B9R0.8 C=CCCC(=O)N(C)CC 11a_100000225621_100000749702 [1,1,0,0,0,0|1,0,0]=3 3119 B9R0.8 C=CCCC(=O)N(C)CC 1626a_100000225621_100000749702 [1,1,0,0,0,0|1,0,0]=3 3120 B9R0.8 C=CCCC(=O)N(C)CC 240690a_100000225621_100000749702 [1,1,0,0,0,0|1,0,0]=3 3121 B9R0.8 C=CCCC(=O)N(C)CC 527a_100000225621_100000749702 [1,1,0,0,0,0|1,0,0]=3 3122 B9R0.8 C=CCNC(=O)C(C)CC 1626a_100020586998_100011192722 [1,1,0,0,0,0|2,0,0]=4 3123 B9R0.8 C=CCNC(=O)C(C)CC 240690a_100020586998_100011192722 [1,1,0,0,0,0|2,0,0]=4 3124 B9R0.8 C=CCNC(=O)C(C)CC 527a_100020586998_100011192722 [1,1,0,0,0,0|2,0,0]=4 3125 B9R0.8 C=CCNC(=O)C(O)CC 240690a_100020586998_100011196387 [1,1,0,0,0,0|2,0,0]=4 3126 B9R0.8 C=CCNC(=O)N(C)CC 273464a_100020586998_100000225621 [1,1,0,0,0,0|2,0,0]=4 3127 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [1,1,0,0,0,0|2,0,0]=4 3128 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [1,1,0,0,0,0|2,0,0]=4 3129 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [1,1,0,0,0,0|2,0,0]=4 3130 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [1,1,0,0,0,0|2,0,0]=4 3131 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [1,1,0,0,0,0|1,0,1]=4 3132 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [1,1,0,0,0,0|1,0,1]=4 3133 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [1,1,0,0,0,0|1,0,1]=4 3134 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [1,1,0,0,0,0|1,0,1]=4 3135 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [1,1,0,0,0,0|1,0,1]=4 3136 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [1,1,0,0,0,0|1,0,1]=4 3137 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [1,1,0,0,0,0|1,0,1]=4 3138 B9R0.18 C#CCCC(=O)CCC=C 1458a_100000692101_100000754431 [1,1,0,0,0,0|1,0,1]=4 3139 B9R0.18 C#CCCC(=O)CCC=C 1458a_100000749702_100000753159 [1,1,0,0,0,0|1,0,1]=4 3140 B9R0.18 C#CCCC(=O)COCC 1458a_100000211967_100000753159 [1,1,0,0,0,0|0,0,2]=4 3141 B9R0.18 C#CCNC(=O)CCC=C 11a_100000212058_100000749702 [1,1,0,0,0,0|1,0,1]=4 3142 B9R0.18 C#CCNC(=O)CCC=C 1626a_100000212058_100000749702 [1,1,0,0,0,0|1,0,1]=4 3143 B9R0.18 C#CCNC(=O)CCC=C 240690a_100000212058_100000749702 [1,1,0,0,0,0|1,0,1]=4 3144 B9R0.18 C#CCNC(=O)CCC=C 527a_100000212058_100000749702 [1,1,0,0,0,0|1,0,1]=4 3145 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [1,1,0,0,0,0|0,0,2]=4 3146 B9R0.18 C=CCCC(=NNCC)C 4a_100000756455_100000762624 [1,1,0,0,0,0|2,0,0]=4 3147 B9R0.18 C=CCCC(=O)C#CCC 1458a_100011827653_100000754431 [1,1,0,0,0,0|1,0,0]=3 3148 B9R0.18 C=CCCC(=O)C#CCO 1458a_100000049017_100000754431 [1,1,0,0,0,0|1,0,1]=4 3149 B9R0.18 C=CCCC(=O)C/C=C/C 1458a_100000749702_100102629194 [1,1,0,0,0,0|1,0,1]=4 3150 B9R0.18 C=CCCC(=O)C=CCC 1458a_100000212282_100000754431 [1,1,0,0,0,0|1,0,0]=3 3151 B9R0.18 C=CCCC(=O)C=COC 1458a_100016268678_100000754431 [1,1,0,0,0,0|1,0,1]=4 3152 B9R0.18 C=CCCC(=O)CC#CC 1458a_100000749702_100000748600 [1,1,0,0,0,0|1,0,1]=4 3153 B9R0.18 C=CCCC(=O)CC=CC 1458a_100000749702_100000070051 [1,1,0,0,0,0|1,0,1]=4 3154 B9R0.18 C=CCCC(=O)CC=CC 1458a_100121576822_100000754431 [1,1,0,0,0,0|1,0,1]=4 3155 B9R0.18 C=CCCC(=O)CCC#N 1458a_100000749702_100011215226 [1,1,0,0,0,0|1,0,1]=4 3156 B9R0.18 C=CCCC(=O)CCC#N 1458a_100011934036_100000754431 [1,1,0,0,0,0|1,0,1]=4 3157 B9R0.18 C=CCCC(=O)CCC=C 1458a_100000749702_100000754431 [1,1,0,0,0,0|1,0,1]=4 3158 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [1,1,0,0,0,0|1,0,0]=3 3159 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [1,1,0,0,0,0|1,0,0]=3 3160 B9R0.18 C=CCCC(=O)CCCF 1458a_100000749702_100011934791 [1,1,0,0,0,0|1,0,0]=3 3161 B9R0.18 C=CCCC(=O)CCCO 1458a_100000749702_100011215043 [1,1,0,0,0,0|1,0,0]=3 3162 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749529_100000754431 [1,1,0,0,0,0|1,0,0]=3 3163 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749702_100000233755 [1,1,0,0,0,0|1,0,0]=3 3164 B9R0.18 C=CCCC(=O)CCSC 1458a_100000174002_100000754431 [1,1,0,0,0,0|1,0,0]=3 3165 B9R0.18 C=CCCC(=O)CCSC 1458a_100000749702_100000751147 [1,1,0,0,0,0|1,0,0]=3 3166 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [1,1,0,0,0,0|0,0,0]=2 3167 B9R0.18 C=CCCC(=O)CSCC 1458a_100000230394_100000754431 [1,1,0,0,0,0|0,1,0]=3 3168 B9R0.18 C=CCCC(=O)NCC#N 1626a_100000734998_100000749702 [1,1,0,0,0,0|1,0,1]=4 3169 B9R0.18 C=CCCC(=O)NCC#N 527a_100000734998_100000749702 [1,1,0,0,0,0|1,0,1]=4 3170 B9R0.18 C=CCCC(=O)NCC=C 1626a_100020586998_100000749702 [1,1,0,0,0,0|1,0,1]=4 3171 B9R0.18 C=CCCC(=O)NCC=C 240690a_100020586998_100000749702 [1,1,0,0,0,0|1,0,1]=4 3172 B9R0.18 C=CCCC(=O)NCC=C 527a_100020586998_100000749702 [1,1,0,0,0,0|1,0,1]=4 3173 B9R0.18 C=CCCC(=O)NCCC 11a_100020643023_100000749702 [1,1,0,0,0,0|1,0,0]=3 3174 B9R0.18 C=CCCC(=O)NCCC 1626a_100020643023_100000749702 [1,1,0,0,0,0|1,0,0]=3 3175 B9R0.18 C=CCCC(=O)NCCC 240690a_100020643023_100000749702 [1,1,0,0,0,0|1,0,0]=3 3176 B9R0.18 C=CCCC(=O)NCCC 527a_100020643023_100000749702 [1,1,0,0,0,0|1,0,0]=3 3177 B9R0.18 C=CCCC(=O)NCCF 11a_100000724931_100000749702 [1,1,0,0,0,0|1,0,0]=3 3178 B9R0.18 C=CCCC(=O)NCCF 1626a_100000724931_100000749702 [1,1,0,0,0,0|1,0,0]=3 3179 B9R0.18 C=CCCC(=O)NCCF 240690a_100000724931_100000749702 [1,1,0,0,0,0|1,0,0]=3 3180 B9R0.18 C=CCCC(=O)NCCF 527a_100000724931_100000749702 [1,1,0,0,0,0|1,0,0]=3 3181 B9R0.18 C=CCCC(=O)NCCO 240690a_100000210304_100000749702 [1,1,0,0,0,0|1,0,0]=3 3182 B9R0.18 C=CCCC(=O)NCCO 527a_100000210304_100000749702 [1,1,0,0,0,0|1,0,0]=3 3183 B9R0.18 C=CCCC(=O)NNCC 22a_100000756455_100000749702 [1,1,0,0,0,0|1,0,0]=3 3184 B9R0.18 C=CCCC(C)OCCC 34a_100000765329_100000210303 [1,1,0,0,0,0|1,0,1]=4 3185 B9R0.18 C=CCCC(C)OCCC 7a_100000765329_100000210303 [1,1,0,0,0,0|1,0,1]=4 3186 B9R0.18 C=CCCC(C)OCCF 34a_100000765329_100011217306 [1,1,0,0,0,0|1,0,1]=4 3187 B9R0.18 C=CCCC(C)OCCF 7a_100000765329_100011217306 [1,1,0,0,0,0|1,0,1]=4 3188 B9R0.18 C=CCCC(C)OCCO 34a_100000765329_100000211926 [1,1,0,0,0,0|1,0,1]=4 3189 B9R0.18 C=CCCC(C)OCCO 7a_100000765329_100000211926 [1,1,0,0,0,0|1,0,1]=4 3190 B9R0.18 C=CCCC(C)OCSC 34a_100000765329_100011218213 [1,1,0,0,0,0|1,0,1]=4 3191 B9R0.18 C=CCCN(C)COCC 269982a_100020639649_100000739092 [1,1,0,0,0,0|2,0,0]=4 3192 B9R0.18 C=CCNC(=O)C=CCC 1626a_100020586998_100000212282 [1,1,0,0,0,0|2,0,0]=4 3193 B9R0.18 C=CCNC(=O)C=CCC 240690a_100020586998_100000212282 [1,1,0,0,0,0|2,0,0]=4 3194 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [1,1,0,0,0,0|2,0,0]=4 3195 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [1,1,0,0,0,0|2,0,0]=4 3196 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [1,1,0,0,0,0|2,0,0]=4 3197 B9R0.18 C=CCNC(=O)CCNC 2230a_106832991635_100011222895 [1,1,0,0,0,0|2,0,0]=4 3198 B9R0.18 C=CCNC(=O)CCNC 7a_106832991635_100011222895 [1,1,0,0,0,0|2,0,0]=4 3199 B9R0.18 C=CCNC(=O)CCOC 1626a_100020586998_100000749529 [1,1,0,0,0,0|2,0,0]=4 3200 B9R0.18 C=CCNC(=O)CCOC 240690a_100020586998_100000749529 [1,1,0,0,0,0|2,0,0]=4 3201 B9R0.18 C=CCNC(=O)CCOC 527a_100020586998_100000749529 [1,1,0,0,0,0|2,0,0]=4 3202 B9R0.18 C=CCNC(=O)CCSC 1626a_100020586998_100000174002 [1,1,0,0,0,0|2,0,0]=4 3203 B9R0.18 C=CCNC(=O)CCSC 240690a_100020586998_100000174002 [1,1,0,0,0,0|2,0,0]=4 3204 B9R0.18 C=CCNC(=O)CCSC 527a_100020586998_100000174002 [1,1,0,0,0,0|2,0,0]=4 3205 B9R0.18 C=CCNC(=O)CCSC 62a_100011222895_200000210301 [1,1,0,0,0,0|2,0,0]=4 3206 B9R0.18 C=CCNC(=O)CCSC 62a_200000210301_100011222895 [1,1,0,0,0,0|2,0,0]=4 3207 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_100011222895_200025704644 [1,1,0,0,0,0|2,0,0]=4 3208 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_200025704644_100011222895 [1,1,0,0,0,0|2,0,0]=4 3209 B9R0.18 C=CCNC(=O)CNCC 2230a_100015525214_100000183597 [1,1,0,0,0,0|2,0,0]=4 3210 B9R0.18 C=CCNC(=O)COCC 1626a_100020586998_100000211967 [1,1,0,0,0,0|1,0,0]=3 3211 B9R0.18 C=CCNC(=O)COCC 240690a_100020586998_100000211967 [1,1,0,0,0,0|1,0,0]=3 3212 B9R0.18 C=CCNC(=O)COCC 527a_100020586998_100000211967 [1,1,0,0,0,0|1,0,0]=3 3213 B9R0.18 C=CCNC(=O)CSCC 1626a_100020586998_100000230394 [1,1,0,0,0,0|1,1,0]=4 3214 B9R0.18 C=CCNC(=O)CSCC 240690a_100020586998_100000230394 [1,1,0,0,0,0|1,1,0]=4 3215 B9R0.18 C=CCNC(=O)CSCC 527a_100020586998_100000230394 [1,1,0,0,0,0|1,1,0]=4 3216 B9R0.18 C=CCNC(=O)CSCC 62a_100000183597_100000210202 [1,1,0,0,0,0|1,1,0]=4 3217 B9R0.18 C=CCNC(=O)CSCC 62a_100000210202_100000183597 [1,1,0,0,0,0|1,1,0]=4 3218 B9R0.18 C=CCNC(=O)NCCC 2708a_100020643023_100020586998 [1,1,0,0,0,0|2,0,0]=4 3219 B9R0.18 C=CCNC(=O)NCCC 273464a_100020586998_100020643023 [1,1,0,0,0,0|2,0,0]=4 3220 B9R0.18 C=CCNC(=O)NCCC 273464a_100020643023_100020586998 [1,1,0,0,0,0|2,0,0]=4 3221 B9R0.18 C=CCNC(=O)NCCC 512a_100020586998_100020643023 [1,1,0,0,0,0|2,0,0]=4 3222 B9R0.18 C=CCNC(=O)NCCC 512a_100020643023_100020586998 [1,1,0,0,0,0|2,0,0]=4 3223 B9R0.18 C=CCNC(=O)NCCF 273464a_100000724931_100020586998 [1,1,0,0,0,0|2,0,0]=4 3224 B9R0.18 C=CCNC(=O)NCCF 273464a_100020586998_100000724931 [1,1,0,0,0,0|2,0,0]=4 3225 B9R0.18 C=CCNC(=O)NCCF 512a_100020586998_100000724931 [1,1,0,0,0,0|2,0,0]=4 3226 B9R0.18 C=CCNC(=O)NCCO 273464a_100000210304_100020586998 [1,1,0,0,0,0|2,0,0]=4 3227 B9R0.18 C=CCNC(=O)NCCO 273464a_100020586998_100000210304 [1,1,0,0,0,0|2,0,0]=4 3228 B9R0.18 C=CCNC(=O)NCCO 512a_100020586998_100000210304 [1,1,0,0,0,0|2,0,0]=4 3229 B9R0.18 C=CCNC(=O)NNCC 273464a_100020586998_100000756455 [1,1,0,0,0,0|2,0,0]=4 3230 B9R0.18 C=CCNC(=O)NNCC 512a_100000756455_100020586998 [1,1,0,0,0,0|2,0,0]=4 3231 B9R0.18 C=CCNC(=O)NNCC 512a_100020586998_100000756455 [1,1,0,0,0,0|2,0,0]=4 3232 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [1,1,0,0,0,0|2,0,0]=4 3233 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [1,1,0,0,0,0|1,0,0]=3 3234 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [1,1,0,0,0,0|1,1,0]=4 3235 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [1,1,0,0,0,0|1,1,0]=4 3236 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [1,1,0,0,0,0|0,0,2]=4 3237 B9R0.18 CCC#CC(=O)CCCC 1458a_100011827653_100000210211 [1,1,0,0,0,0|1,0,1]=4 3238 B9R0.18 CCC#CC(=O)CCCF 1458a_100011827653_100011934791 [1,1,0,0,0,0|2,0,0]=4 3239 B9R0.18 CCC#CC(=O)CCCO 1458a_100011827653_100011215043 [1,1,0,0,0,0|2,0,0]=4 3240 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [1,1,0,0,0,0|1,0,1]=4 3241 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [1,1,0,0,0,0|2,0,0]=4 3242 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [1,1,0,0,0,0|2,0,0]=4 3243 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [1,1,0,0,0,0|1,0,1]=4 3244 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [1,1,0,0,0,0|1,0,1]=4 3245 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [1,1,0,0,0,0|1,0,1]=4 3246 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [1,1,0,0,0,0|1,0,1]=4 3247 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [1,1,0,0,0,0|1,0,1]=4 3248 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [1,1,0,0,0,0|1,0,1]=4 3249 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [1,1,0,0,0,0|1,0,1]=4 3250 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [1,1,0,0,0,0|0,0,1]=3 3251 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [1,1,0,0,0,0|0,1,1]=4 3252 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 3253 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 3254 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 3255 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 3256 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [1,1,0,0,0,0|1,0,1]=4 3257 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [1,1,0,0,0,0|1,0,1]=4 3258 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [1,1,0,0,0,0|1,0,1]=4 3259 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [1,1,0,0,0,0|1,0,1]=4 3260 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [1,1,0,0,0,0|1,0,1]=4 3261 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [1,1,0,0,0,0|1,0,1]=4 3262 B9R0.18 CCCCC(=O)NNCC 22a_100000756455_100000210183 [1,1,0,0,0,0|1,0,1]=4 3263 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [1,1,0,0,0,0|1,0,1]=4 3264 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [1,1,0,0,0,0|1,0,1]=4 3265 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [1,1,0,0,0,0|1,0,1]=4 3266 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [1,1,0,0,0,0|1,0,1]=4 3267 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [1,1,0,0,0,0|1,0,1]=4 3268 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [1,1,0,0,0,0|1,0,1]=4 3269 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [1,1,0,0,0,0|1,0,1]=4 3270 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [1,1,0,0,0,0|1,0,1]=4 3271 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [1,1,0,0,0,0|1,0,1]=4 3272 B9R0.18 CCCOC(=O)CSCF 62a_100015361967_200011215008 [1,1,0,0,0,0|2,0,0]=4 3273 B9R0.18 CCCOC(=O)CSCF 62a_200011215008_100015361967 [1,1,0,0,0,0|2,0,0]=4 3274 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [1,1,0,0,0,0|1,0,1]=4 3275 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [1,1,0,0,0,0|1,0,1]=4 3276 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [1,1,0,0,0,0|1,0,1]=4 3277 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [1,1,0,0,0,0|1,0,1]=4 3278 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [1,1,0,0,0,0|1,0,1]=4 3279 B9R0.18 CCOCC(=O)CCC#N 1458a_100000211967_100011215226 [1,1,0,0,0,0|1,0,1]=4 3280 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [1,1,0,0,0,0|1,0,0]=3 3281 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [1,1,0,0,0,0|1,0,0]=3 3282 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [1,1,0,0,0,0|1,0,1]=4 3283 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [1,1,0,0,0,0|1,0,1]=4 3284 B9R0.18 CCOCC(=O)NCCF 11a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 3285 B9R0.18 CCOCC(=O)NCCF 1626a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 3286 B9R0.18 CCOCC(=O)NCCF 240690a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 3287 B9R0.18 CCOCC(=O)NCCF 527a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 3288 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [1,1,0,0,0,0|2,0,0]=4 3289 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [1,1,0,0,0,0|2,0,0]=4 3290 B9R0.18 CCSCC(=O)CCCF 1458a_100000230394_100011934791 [1,1,0,0,0,0|1,1,0]=4 3291 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [1,1,0,0,0,0|1,1,0]=4 3292 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [1,1,0,0,0,0|2,0,0]=4 3293 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [1,1,0,0,0,0|2,0,0]=4 3294 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [1,1,0,0,0,0|2,0,0]=4 3295 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [1,1,0,0,0,0|2,0,0]=4 3296 B9R0.34 C=CC(=O)CC(=O)CCC 1458a_100000185746_100000747444 [1,1,0,0,0,0|1,0,1]=4 3297 B9R0.34 C=CC(=O)CC(=O)NCC 1458a_100000185746_100000183381 [1,1,0,0,0,0|1,0,1]=4 3298 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [1,1,0,0,0,0|0,0,1]=3 3299 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [1,1,0,0,0,0|1,0,0]=3 3300 B9R0.34 C=CC(C)CC(=O)CCF 1458a_100011934298_100011217306 [1,1,0,0,0,0|2,0,0]=4 3301 B9R0.34 C=CC(C)CC(=O)CCO 1458a_100011934298_100000211926 [1,1,0,0,0,0|2,0,0]=4 3302 B9R0.34 C=CC(C)CC(=O)NCC 11a_100015525214_100011934298 [1,1,0,0,0,0|1,0,0]=3 3303 B9R0.34 C=CC(C)CC(=O)NCC 240690a_100015525214_100011934298 [1,1,0,0,0,0|1,0,0]=3 3304 B9R0.34 C=CC(C)CC(=O)NCC 527a_100015525214_100011934298 [1,1,0,0,0,0|1,0,0]=3 3305 B9R0.34 C=CC(C)CC(=O)NNC 22a_100016993582_100011934298 [1,1,0,0,0,0|2,0,0]=4 3306 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [1,1,0,0,0,0|1,0,1]=4 3307 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [1,1,0,0,0,0|1,0,1]=4 3308 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [1,1,0,0,0,0|1,0,1]=4 3309 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [1,1,0,0,0,0|1,0,1]=4 3310 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [1,1,0,0,0,0|1,0,1]=4 3311 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [1,1,0,0,0,0|2,0,0]=4 3312 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [1,1,0,0,0,0|1,0,1]=4 3313 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [1,1,0,0,0,0|1,0,1]=4 3314 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [1,1,0,0,0,0|1,0,1]=4 3315 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [1,1,0,0,0,0|1,0,1]=4 3316 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [1,1,0,0,0,0|0,0,2]=4 3317 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [1,1,0,0,0,0|0,0,2]=4 3318 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [1,1,0,0,0,0|1,0,1]=4 3319 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [1,1,0,0,0,0|1,0,1]=4 3320 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [1,1,0,0,0,0|1,0,1]=4 3321 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [1,1,0,0,0,0|1,0,1]=4 3322 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [1,1,0,0,0,0|1,0,1]=4 3323 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [1,1,0,0,0,0|1,0,1]=4 3324 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [1,1,0,0,0,0|1,0,1]=4 3325 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [1,1,0,0,0,0|1,0,1]=4 3326 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [1,1,0,0,0,0|1,0,1]=4 3327 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [1,1,0,0,0,0|1,0,1]=4 3328 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [1,1,0,0,0,0|1,0,1]=4 3329 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [1,1,0,0,0,0|1,0,1]=4 3330 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [1,1,0,0,0,0|1,0,1]=4 3331 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [1,1,0,0,0,0|1,0,1]=4 3332 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [1,1,0,0,0,0|1,0,1]=4 3333 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [1,1,0,0,0,0|1,0,1]=4 3334 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [1,1,0,0,0,0|1,0,1]=4 3335 B9R0.35 C=CCC(=O)C(=O)NCC 1458a_200011297158_100000210623 [1,1,0,0,0,0|1,0,1]=4 3336 B9R0.35 C=CCC(C)C(=O)CCC 1458a_100011216819_100000210303 [1,1,0,0,0,0|1,0,0]=3 3337 B9R0.35 C=CCC(C)C(=O)CCF 1458a_100011216819_100011217306 [1,1,0,0,0,0|2,0,0]=4 3338 B9R0.35 C=CCC(C)C(=O)CCO 1458a_100011216819_100000211926 [1,1,0,0,0,0|2,0,0]=4 3339 B9R0.35 C=CCC(C)C(=O)NCC 11a_100015525214_100011216819 [1,1,0,0,0,0|1,0,0]=3 3340 B9R0.35 C=CCC(C)C(=O)NCC 240690a_100015525214_100011216819 [1,1,0,0,0,0|1,0,0]=3 3341 B9R0.35 C=CCC(C)C(=O)NCC 527a_100015525214_100011216819 [1,1,0,0,0,0|1,0,0]=3 3342 B9R0.35 C=CCC(C)C(=O)NNC 22a_100016993582_100011216819 [1,1,0,0,0,0|2,0,0]=4 3343 B9R0.35 C=CCN(C)C(=O)CCC 11a_100000225617_100000211992 [1,1,0,0,0,0|2,0,0]=4 3344 B9R0.35 C=CCN(C)C(=O)CCC 1626a_100000225617_100000211992 [1,1,0,0,0,0|2,0,0]=4 3345 B9R0.35 C=CCN(C)C(=O)CCC 240690a_100000225617_100000211992 [1,1,0,0,0,0|2,0,0]=4 3346 B9R0.35 C=CCN(C)C(=O)CCC 527a_100000225617_100000211992 [1,1,0,0,0,0|2,0,0]=4 3347 B9R0.35 C=CCN(C)C(=O)NCC 2708a_100015525214_100000225617 [1,1,0,0,0,0|2,0,0]=4 3348 B9R0.35 C=CCN(C)C(=O)NCC 273464a_100015525214_100000225617 [1,1,0,0,0,0|2,0,0]=4 3349 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [1,1,0,0,0,0|1,0,1]=4 3350 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [1,1,0,0,0,0|1,0,1]=4 3351 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [1,1,0,0,0,0|2,0,0]=4 3352 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [1,1,0,0,0,0|1,0,1]=4 3353 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [1,1,0,0,0,0|1,0,1]=4 3354 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [1,1,0,0,0,0|1,0,1]=4 3355 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [1,1,0,0,0,0|1,0,1]=4 3356 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [1,1,0,0,0,0|1,0,1]=4 3357 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [1,1,0,0,0,0|1,0,1]=4 3358 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [1,1,0,0,0,0|1,0,1]=4 3359 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [1,1,0,0,0,0|1,0,1]=4 3360 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [1,1,0,0,0,0|1,0,1]=4 3361 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [1,1,0,0,0,0|1,0,1]=4 3362 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [1,1,0,0,0,0|2,0,0]=4 3363 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [1,1,0,0,0,0|2,0,0]=4 3364 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [1,1,0,0,0,0|1,0,1]=4 3365 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [1,1,0,0,0,0|1,0,1]=4 3366 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [1,1,0,0,0,0|1,0,1]=4 3367 B9R0.35 CCOC(=O)C(F)SCF 62a_100000760018_100015361967 [1,1,0,0,0,0|2,0,0]=4 3368 B9R0.35 CCOC(=O)C(F)SCF 62a_100015361967_100000760018 [1,1,0,0,0,0|2,0,0]=4 3369 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [1,1,0,0,0,0|1,0,1]=4 3370 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [1,1,0,0,0,0|2,0,0]=4 3371 B9R0.48 C=C(C)CCC(=O)C#CC 1458a_100000763181_100000730704 [1,1,0,0,0,0|1,0,1]=4 3372 B9R0.48 C=C(C)CCC(=O)C=CC 1458a_100000210699_100000730704 [1,1,0,0,0,0|1,0,1]=4 3373 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [1,1,0,0,0,0|1,0,0]=3 3374 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [1,1,0,0,0,0|1,0,0]=3 3375 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [1,1,0,0,0,0|2,0,0]=4 3376 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [1,1,0,0,0,0|2,0,0]=4 3377 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [1,1,0,0,0,0|2,0,0]=4 3378 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [1,1,0,0,0,0|2,0,0]=4 3379 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [1,1,0,0,0,0|2,0,0]=4 3380 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [1,1,0,0,0,0|1,0,0]=3 3381 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [1,1,0,0,0,0|1,0,0]=3 3382 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [1,1,0,0,0,0|1,0,0]=3 3383 B9R0.48 C=C(C)CCC(=O)NNC 22a_100016993582_200000688413 [1,1,0,0,0,0|2,0,0]=4 3384 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [1,1,0,0,0,0|2,0,0]=4 3385 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [1,1,0,0,0,0|2,0,0]=4 3386 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [1,1,0,0,0,0|2,0,0]=4 3387 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [1,1,0,0,0,0|2,0,0]=4 3388 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100000765925_100015525214 [1,1,0,0,0,0|2,0,0]=4 3389 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100015525214_100000765925 [1,1,0,0,0,0|2,0,0]=4 3390 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100000765925_100015525214 [1,1,0,0,0,0|2,0,0]=4 3391 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100015525214_100000765925 [1,1,0,0,0,0|2,0,0]=4 3392 B9R0.48 C=C(C)CNC(=O)NCC 512a_100000765925_100015525214 [1,1,0,0,0,0|2,0,0]=4 3393 B9R0.48 C=C(C)CNC(=O)NCC 512a_100015525214_100000765925 [1,1,0,0,0,0|2,0,0]=4 3394 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [1,1,0,0,0,0|2,0,0]=4 3395 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [1,1,0,0,0,0|1,0,1]=4 3396 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [1,1,0,0,0,0|1,0,1]=4 3397 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [1,1,0,0,0,0|1,0,1]=4 3398 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [1,1,0,0,0,0|1,0,1]=4 3399 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [1,1,0,0,0,0|2,0,0]=4 3400 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [1,1,0,0,0,0|2,0,0]=4 3401 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [1,1,0,0,0,0|1,0,1]=4 3402 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [1,1,0,0,0,0|1,0,1]=4 3403 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [1,1,0,0,0,0|1,0,1]=4 3404 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [1,1,0,0,0,0|1,0,1]=4 3405 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [1,1,0,0,0,0|0,0,1]=3 3406 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [1,1,0,0,0,0|0,0,1]=3 3407 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [1,1,0,0,0,0|1,0,1]=4 3408 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [1,1,0,0,0,0|1,0,1]=4 3409 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [1,1,0,0,0,0|1,0,1]=4 3410 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [1,1,0,0,0,0|1,0,1]=4 3411 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [1,1,0,0,0,0|1,0,1]=4 3412 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [1,1,0,0,0,0|1,0,1]=4 3413 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [1,1,0,0,0,0|1,0,1]=4 3414 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [1,1,0,0,0,0|1,0,1]=4 3415 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [1,1,0,0,0,0|1,0,1]=4 3416 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [1,1,0,0,0,0|1,0,1]=4 3417 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [1,1,0,0,0,0|1,0,1]=4 3418 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [1,1,0,0,0,0|1,0,1]=4 3419 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [1,1,0,0,0,0|1,0,1]=4 3420 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [1,1,0,0,0,0|1,0,1]=4 3421 B9R0.2 C=C(C)CCSCOCC 62a_100000730704_100000739092 [1,1,0,0,0,0|1,0,1]=4 3422 B9R0.2 C=C(C)CCSCOCC 62a_100000739092_100000730704 [1,1,0,0,0,0|1,0,1]=4 3423 B9R0.2 C=C(C)CNCCOCC 2230a_102516460346_100000748629 [1,1,0,0,0,0|1,0,1]=4 3424 B9R0.2 C=C(C)CNCCOCC 34a_102516460346_100000748629 [1,1,0,0,0,0|1,0,1]=4 3425 B9R0.2 C=C(C)COC/C=C\CC 34a_100000210245_100103147603 [1,1,0,0,0,0|2,0,0]=4 3426 B9R0.2 C=C(C)COC/C=C\CC 34a_100016268518_100000748629 [1,1,0,0,0,0|2,0,0]=4 3427 B9R0.2 C=C(C)COCCOCC 34a_100000210136_100000748629 [1,1,0,0,0,0|1,0,1]=4 3428 B9R0.2 C=C(C)COCCOCC 34a_100000210245_100000210147 [1,1,0,0,0,0|1,0,1]=4 3429 B9R0.2 C=C(C)COCCOCC 7a_100000210136_100000748629 [1,1,0,0,0,0|1,0,1]=4 3430 B9R0.2 C=C(C)CSC/C=C\CC 62a_100000748629_100103147603 [1,1,0,0,0,0|2,0,0]=4 3431 B9R0.2 C=C(C)CSC/C=C\CC 62a_100103147603_100000211660 [1,1,0,0,0,0|2,0,0]=4 3432 B9R0.2 C=C(C)CSCCOCC 62a_100000210147_100000211660 [1,1,0,0,0,0|1,0,1]=4 3433 B9R0.2 C=C(C)CSCCOCC 62a_100000748629_100011215890 [1,1,0,0,0,0|1,0,1]=4 3434 B9R0.2 C=C(F)CNCCOCC 2230a_102516460346_100009893438 [1,1,0,0,0,0|1,0,1]=4 3435 B9R0.2 C=C(F)CNCCOCC 34a_102516460346_100009893438 [1,1,0,0,0,0|1,0,1]=4 3436 B9R0.2 C=C(F)COC/C=C\CC 34a_100016268518_100009893438 [1,1,0,0,0,0|2,0,0]=4 3437 B9R0.2 C=C(F)COC/C=C\CC 34a_200010262243_100103147603 [1,1,0,0,0,0|2,0,0]=4 3438 B9R0.2 C=C(F)COCCOCC 34a_100000210136_100009893438 [1,1,0,0,0,0|1,0,1]=4 3439 B9R0.2 C=C(F)COCCOCC 34a_200010262243_100000210147 [1,1,0,0,0,0|1,0,1]=4 3440 B9R0.2 C=C(F)COCCOCC 7a_100000210136_100000042424 [1,1,0,0,0,0|1,0,1]=4 3441 B9R0.2 C=C(F)CSC/C=C\CC 62a_100000042424_100103147603 [1,1,0,0,0,0|2,0,0]=4 3442 B9R0.2 C=C(F)CSC/C=C\CC 62a_100103147603_100000042424 [1,1,0,0,0,0|2,0,0]=4 3443 B9R0.2 C=C(F)CSCCOCC 62a_100000042424_100011215890 [1,1,0,0,0,0|1,0,1]=4 3444 B9R0.2 C=C(F)CSCCOCC 62a_100000210147_100000042424 [1,1,0,0,0,0|1,0,1]=4 3445 B9R0.2 C=CCCCCNC(C)C 2230a_100000703577_100000210206 [1,1,0,0,0,0|1,0,1]=4 3446 B9R0.2 C=CCCCCNC(C)C 2230a_100138425928_100011215482 [1,1,0,0,0,0|1,0,1]=4 3447 B9R0.2 C=CCCCCNC(C)C 34a_100000703577_100000210206 [1,1,0,0,0,0|1,0,1]=4 3448 B9R0.2 C=CCCCCNC(C)C 34a_100138425928_100011215482 [1,1,0,0,0,0|1,0,1]=4 3449 B9R0.2 C=CCCCCOC(C)C 34a_100000212225_100011215482 [1,1,0,0,0,0|0,0,1]=3 3450 B9R0.2 C=CCCCCOC(C)C 34a_100000766645_100000210206 [1,1,0,0,0,0|0,0,1]=3 3451 B9R0.2 C=CCCCCOC(C)C 7a_100000766645_100000210206 [1,1,0,0,0,0|0,0,1]=3 3452 B9R0.2 C=CCCCCSC(C)C 62a_100000210206_100011215482 [1,1,0,0,0,0|0,1,1]=4 3453 B9R0.2 C=CCCCCSC(C)C 62a_100011215482_100000210206 [1,1,0,0,0,0|0,1,1]=4 3454 B9R0.2 C=CCCCNCC(C)C 2230a_100000210953_100011713584 [1,1,0,0,0,0|2,0,0]=4 3455 B9R0.2 C=CCCCNCC(C)C 2230a_100000700776_100000210760 [1,1,0,0,0,0|2,0,0]=4 3456 B9R0.2 C=CCCCNCC(C)C 270004a_100000700776_100000210432 [1,1,0,0,0,0|2,0,0]=4 3457 B9R0.2 C=CCCCNCC(C)C 34a_100000210953_100000757094 [1,1,0,0,0,0|2,0,0]=4 3458 B9R0.2 C=CCCCNCC(C)C 34a_100000700776_100000210624 [1,1,0,0,0,0|2,0,0]=4 3459 B9R0.2 C=CCCCNCC(C)O 2230a_100000210904_100011713584 [1,1,0,0,0,0|2,0,0]=4 3460 B9R0.2 C=CCCCNCC(C)O 2230a_100000700776_100011218427 [1,1,0,0,0,0|2,0,0]=4 3461 B9R0.2 C=CCCCNCC(C)O 34a_100000210904_100000757094 [1,1,0,0,0,0|2,0,0]=4 3462 B9R0.2 C=CCCCNCC(C)O 34a_100000700776_100011218427 [1,1,0,0,0,0|2,0,0]=4 3463 B9R0.2 C=CCCCNC[C@@H](C)O 2230a_100000700776_100009817552 [1,1,0,0,0,0|2,0,0]=4 3464 B9R0.2 C=CCCCNC[C@@H](C)O 34a_100000700776_100009817552 [1,1,0,0,0,0|2,0,0]=4 3465 B9R0.2 C=CCCCOCC(C)Br 34a_100012180447_100000757094 [1,1,0,0,0,0|2,0,0]=4 3466 B9R0.2 C=CCCCOCC(C)C 34a_100000210257_100000757094 [1,1,0,0,0,0|2,0,0]=4 3467 B9R0.2 C=CCCCOCC(C)C 34a_100000758997_100000210624 [1,1,0,0,0,0|2,0,0]=4 3468 B9R0.2 C=CCCCOCC(C)C 7a_100000758997_100000210760 [1,1,0,0,0,0|2,0,0]=4 3469 B9R0.2 C=CCCCOCC(C)F 34a_100015925927_100000757094 [1,1,0,0,0,0|2,0,0]=4 3470 B9R0.2 C=CCCCOCC(C)O 34a_100000758997_100011218427 [1,1,0,0,0,0|2,0,0]=4 3471 B9R0.2 C=CCCCOCC(C)O 7a_100000758997_100011218427 [1,1,0,0,0,0|2,0,0]=4 3472 B9R0.2 C=CCCCOC[C@@H](C)Cl 34a_100016084084_100000757094 [1,1,0,0,0,0|2,0,0]=4 3473 B9R0.2 C=CCCCOC[C@@H](C)N 34a_100000737577_100000757094 [1,1,0,0,0,0|2,0,0]=4 3474 B9R0.2 C=CCCCOC[C@@H](C)O 34a_100000758997_100009817552 [1,1,0,0,0,0|2,0,0]=4 3475 B9R0.2 C=CCCCOC[C@@H](C)O 7a_100000758997_100009817552 [1,1,0,0,0,0|2,0,0]=4 3476 B9R0.2 C=CCCCSCC(C)C 62a_100000210624_100000757094 [1,1,0,0,0,0|2,0,0]=4 3477 B9R0.2 C=CCCCSCC(C)C 62a_100011713584_100000210760 [1,1,0,0,0,0|2,0,0]=4 3478 B9R0.2 C=CCCCSCC(C)O 62a_100011218427_100000757094 [1,1,0,0,0,0|2,0,0]=4 3479 B9R0.2 C=CCCCSCC(C)O 62a_100011713584_100011218427 [1,1,0,0,0,0|2,0,0]=4 3480 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100009817552_100000757094 [1,1,0,0,0,0|2,0,0]=4 3481 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100011713584_100009817552 [1,1,0,0,0,0|2,0,0]=4 3482 B9R0.2 C=CCCNCOC(C)C 2230a_100015191253_100000709892 [1,1,0,0,0,0|1,0,1]=4 3483 B9R0.2 C=CCCOCOC(C)C 34a_100011205117_100000709892 [1,1,0,0,0,0|1,0,1]=4 3484 B9R0.2 C=CCCSCOC(C)C 62a_100000709892_100000754431 [1,1,0,0,0,0|1,0,1]=4 3485 B9R0.2 C=CCCSCOC(C)C 62a_100000754431_100000709892 [1,1,0,0,0,0|1,0,1]=4 3486 B9R0.2 C=CCNCCOC(C)C 2230a_100000701111_100000210623 [1,1,0,0,0,0|1,0,1]=4 3487 B9R0.2 C=CCNCCOC(C)C 2230a_100020586998_100000211751 [1,1,0,0,0,0|1,0,1]=4 3488 B9R0.2 C=CCNCCOC(C)C 34a_100000701111_100015514636 [1,1,0,0,0,0|1,0,1]=4 3489 B9R0.2 C=CCOCCOC(C)C 34a_100000037705_100000210206 [1,1,0,0,0,0|1,0,1]=4 3490 B9R0.2 C=CCOCCOC(C)C 34a_100000211219_100015514636 [1,1,0,0,0,0|1,0,1]=4 3491 B9R0.2 C=CCOCCOC(C)C 34a_200000210373_100000211751 [1,1,0,0,0,0|1,0,1]=4 3492 B9R0.2 C=CCOCCOC(C)C 7a_100000037705_100000210206 [1,1,0,0,0,0|1,0,1]=4 3493 B9R0.2 C=CCOCCOC(C)C 7a_100000211219_100015514636 [1,1,0,0,0,0|1,0,1]=4 3494 B9R0.2 C=CCSCCOC(C)C 62a_100000210623_100000211751 [1,1,0,0,0,0|1,0,1]=4 3495 B9R0.2 C=CCSCCOC(C)C 62a_100000211751_100000210623 [1,1,0,0,0,0|1,0,1]=4 3496 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,1,0,0,0,0|0,0,2]=4 3497 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [1,1,0,0,0,0|1,0,1]=4 3498 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [1,1,0,0,0,0|1,0,1]=4 3499 B9R0.45 C#CCOCCCCC=C 34a_100000210247_100011215482 [1,1,0,0,0,0|0,0,2]=4 3500 B9R0.45 C#CCOCCCCC=C 34a_100000766645_100000184674 [1,1,0,0,0,0|0,0,2]=4 3501 B9R0.45 C#CCOCCCCC=C 7a_100000766645_100000038162 [1,1,0,0,0,0|0,0,2]=4 3502 B9R0.45 C/C=C/CNCCOCC 34a_102516460346_100102629194 [1,1,0,0,0,0|1,0,1]=4 3503 B9R0.45 C/C=C/COC/C=C\CC 34a_100016268518_100102629194 [1,1,0,0,0,0|2,0,0]=4 3504 B9R0.45 C/C=C/COC/C=C\CC 34a_100016270725_100103147603 [1,1,0,0,0,0|2,0,0]=4 3505 B9R0.45 C/C=C/COCCOCC 34a_100000210136_100102629194 [1,1,0,0,0,0|1,0,1]=4 3506 B9R0.45 C/C=C/COCCOCC 34a_100016270725_100000210147 [1,1,0,0,0,0|1,0,1]=4 3507 B9R0.45 C/C=C/COCCOCC 7a_100000210136_100102629194 [1,1,0,0,0,0|1,0,1]=4 3508 B9R0.45 C/C=C/CSC/C=C\CC 62a_100102629194_100103147603 [1,1,0,0,0,0|2,0,0]=4 3509 B9R0.45 C/C=C/CSC/C=C\CC 62a_100103147603_100102629194 [1,1,0,0,0,0|2,0,0]=4 3510 B9R0.45 C/C=C/CSCCOCC 62a_100000210147_100102629194 [1,1,0,0,0,0|1,0,1]=4 3511 B9R0.45 C/C=C/CSCCOCC 62a_100102629194_100011215890 [1,1,0,0,0,0|1,0,1]=4 3512 B9R0.45 C=CCCC/C=C/COC 34a_200016268473_200000210301 [1,1,0,0,0,0|1,0,0]=3 3513 B9R0.45 C=CCCC/C=C/COC 7a_200016268473_200000210301 [1,1,0,0,0,0|1,0,0]=3 3514 B9R0.45 C=CCCC/C=C/CO[13CH3] 34a_200016268473_200025704644 [1,1,0,0,0,0|1,0,0]=3 3515 B9R0.45 C=CCCC/C=C/CO[13CH3] 7a_200016268473_200025704644 [1,1,0,0,0,0|1,0,0]=3 3516 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [1,1,0,0,0,0|1,0,1]=4 3517 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [1,1,0,0,0,0|1,0,1]=4 3518 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [1,1,0,0,0,0|1,0,1]=4 3519 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [1,1,0,0,0,0|1,0,1]=4 3520 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [1,1,0,0,0,0|1,0,1]=4 3521 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [1,1,0,0,0,0|1,0,1]=4 3522 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [1,1,0,0,0,0|1,0,1]=4 3523 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [1,1,0,0,0,0|1,0,1]=4 3524 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [1,1,0,0,0,0|1,0,1]=4 3525 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [1,1,0,0,0,0|1,0,1]=4 3526 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [1,1,0,0,0,0|1,0,1]=4 3527 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [1,1,0,0,0,0|1,0,1]=4 3528 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [1,1,0,0,0,0|1,0,1]=4 3529 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [1,1,0,0,0,0|0,0,1]=3 3530 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [1,1,0,0,0,0|0,0,1]=3 3531 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [1,1,0,0,0,0|0,0,1]=3 3532 B9R0.45 C=CCCCCCOCF 34a_100011216702_100015361967 [1,1,0,0,0,0|1,0,1]=4 3533 B9R0.45 C=CCCCCCOCF 7a_100011216702_100015361967 [1,1,0,0,0,0|1,0,1]=4 3534 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [1,1,0,0,0,0|0,1,1]=4 3535 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [1,1,0,0,0,0|0,1,1]=4 3536 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [1,1,0,0,0,0|1,0,1]=4 3537 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [1,1,0,0,0,0|1,0,1]=4 3538 B9R0.45 C=CCCCCNCCF 2230a_100000703577_100011217306 [1,1,0,0,0,0|1,0,1]=4 3539 B9R0.45 C=CCCCCNCCF 34a_100000703577_100011217306 [1,1,0,0,0,0|1,0,1]=4 3540 B9R0.45 C=CCCCCNCCF 34a_100000724931_100011215482 [1,1,0,0,0,0|1,0,1]=4 3541 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [1,1,0,0,0,0|1,0,1]=4 3542 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [1,1,0,0,0,0|1,0,1]=4 3543 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [1,1,0,0,0,0|1,0,1]=4 3544 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [1,1,0,0,0,0|1,0,1]=4 3545 B9R0.45 C=CCCCCNCOC 2230a_100000703577_100000766300 [1,1,0,0,0,0|1,0,1]=4 3546 B9R0.45 C=CCCCCNCSC 2230a_100000703577_100011218213 [1,1,0,0,0,0|1,0,1]=4 3547 B9R0.45 C=CCCCCNCSC 34a_100000703577_100011218213 [1,1,0,0,0,0|1,0,1]=4 3548 B9R0.45 C=CCCCCOCC#N 7a_100000766645_100011215382 [1,1,0,0,0,0|0,0,2]=4 3549 B9R0.45 C=CCCCCOCC=C 34a_100000766645_100015514636 [1,1,0,0,0,0|0,0,2]=4 3550 B9R0.45 C=CCCCCOCC=C 34a_200000210373_100011215482 [1,1,0,0,0,0|0,0,2]=4 3551 B9R0.45 C=CCCCCOCC=C 7a_100000766645_100015514636 [1,1,0,0,0,0|0,0,2]=4 3552 B9R0.45 C=CCCCCOCC=O 34a_100000766645_200009817547 [1,1,0,0,0,0|0,0,2]=4 3553 B9R0.45 C=CCCCCOCC=O 7a_100000766645_200015260668 [1,1,0,0,0,0|0,0,2]=4 3554 B9R0.45 C=CCCCCOCCBr 34a_100000211926_100011215482 [1,1,0,0,0,0|0,0,1]=3 3555 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [1,1,0,0,0,0|0,0,1]=3 3556 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [1,1,0,0,0,0|0,0,1]=3 3557 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [1,1,0,0,0,0|0,0,1]=3 3558 B9R0.45 C=CCCCCOCCF 34a_100000766645_100011217306 [1,1,0,0,0,0|0,0,1]=3 3559 B9R0.45 C=CCCCCOCCF 7a_100000766645_100011217306 [1,1,0,0,0,0|0,0,1]=3 3560 B9R0.45 C=CCCCCOCCN 34a_100000210304_100011215482 [1,1,0,0,0,0|0,0,1]=3 3561 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [1,1,0,0,0,0|0,0,1]=3 3562 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [1,1,0,0,0,0|0,0,1]=3 3563 B9R0.45 C=CCCCCOCSC 34a_100000766645_100011218213 [1,1,0,0,0,0|0,0,1]=3 3564 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [1,1,0,0,0,0|0,1,1]=4 3565 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [1,1,0,0,0,0|0,1,1]=4 3566 B9R0.45 C=CCCCCSCCF 62a_100011215482_100011217306 [1,1,0,0,0,0|0,1,1]=4 3567 B9R0.45 C=CCCCCSCCF 62a_100011217306_100011215482 [1,1,0,0,0,0|0,1,1]=4 3568 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [1,1,0,0,0,0|0,1,1]=4 3569 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [1,1,0,0,0,0|0,1,1]=4 3570 B9R0.45 C=CCCCCSCOC 62a_100000766300_100011215482 [1,1,0,0,0,0|0,1,1]=4 3571 B9R0.45 C=CCCCCSCOC 62a_100011215482_100000766300 [1,1,0,0,0,0|0,1,1]=4 3572 B9R0.45 C=CCCCCSCSC 62a_100011215482_100011218213 [1,1,0,0,0,0|0,1,1]=4 3573 B9R0.45 C=CCCCCSCSC 62a_100011218213_100011215482 [1,1,0,0,0,0|0,1,1]=4 3574 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [1,1,0,0,0,0|1,0,1]=4 3575 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [1,1,0,0,0,0|1,0,1]=4 3576 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [1,1,0,0,0,0|1,0,1]=4 3577 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [1,1,0,0,0,0|1,0,1]=4 3578 B9R0.45 C=CCCCNCCCF 2230a_100000700776_100011934791 [1,1,0,0,0,0|2,0,0]=4 3579 B9R0.45 C=CCCCNCCCF 2230a_100015189416_100011713584 [1,1,0,0,0,0|2,0,0]=4 3580 B9R0.45 C=CCCCNCCCF 34a_100000700776_100011934791 [1,1,0,0,0,0|2,0,0]=4 3581 B9R0.45 C=CCCCNCCCF 34a_100015189416_100000757094 [1,1,0,0,0,0|2,0,0]=4 3582 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [1,1,0,0,0,0|2,0,0]=4 3583 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [1,1,0,0,0,0|2,0,0]=4 3584 B9R0.45 C=CCCCNCCOC 2230a_100000209980_100011713584 [1,1,0,0,0,0|2,0,0]=4 3585 B9R0.45 C=CCCCNCCOC 2230a_100000700776_100011201679 [1,1,0,0,0,0|2,0,0]=4 3586 B9R0.45 C=CCCCNCCOC 34a_100000700776_100011201679 [1,1,0,0,0,0|2,0,0]=4 3587 B9R0.45 C=CCCCNCCSC 2230a_100000700776_100000751147 [1,1,0,0,0,0|2,0,0]=4 3588 B9R0.45 C=CCCCNCCSC 2230a_100020590264_100011713584 [1,1,0,0,0,0|2,0,0]=4 3589 B9R0.45 C=CCCCNCCSC 34a_100000700776_100000212216 [1,1,0,0,0,0|2,0,0]=4 3590 B9R0.45 C=CCCCOCCCBr 34a_100011217188_100000757094 [1,1,0,0,0,0|2,0,0]=4 3591 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [1,1,0,0,0,0|1,0,1]=4 3592 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [1,1,0,0,0,0|1,0,1]=4 3593 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [1,1,0,0,0,0|1,0,1]=4 3594 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [1,1,0,0,0,0|1,0,1]=4 3595 B9R0.45 C=CCCCOCCCCl 34a_100000230001_100000757094 [1,1,0,0,0,0|2,0,0]=4 3596 B9R0.45 C=CCCCOCCCF 34a_100000758997_100011934791 [1,1,0,0,0,0|2,0,0]=4 3597 B9R0.45 C=CCCCOCCCF 34a_100000759539_100000757094 [1,1,0,0,0,0|2,0,0]=4 3598 B9R0.45 C=CCCCOCCCF 7a_100000758997_100011934791 [1,1,0,0,0,0|2,0,0]=4 3599 B9R0.45 C=CCCCOCCCN 34a_100000182051_100000757094 [1,1,0,0,0,0|2,0,0]=4 3600 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [1,1,0,0,0,0|2,0,0]=4 3601 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [1,1,0,0,0,0|2,0,0]=4 3602 B9R0.45 C=CCCCOCCOC 34a_100000210237_100000757094 [1,1,0,0,0,0|2,0,0]=4 3603 B9R0.45 C=CCCCOCCOC 34a_100000758997_100011201679 [1,1,0,0,0,0|2,0,0]=4 3604 B9R0.45 C=CCCCOCCOC 7a_100000758997_100000233755 [1,1,0,0,0,0|2,0,0]=4 3605 B9R0.45 C=CCCCOCCSC 34a_100000230434_100000757094 [1,1,0,0,0,0|2,0,0]=4 3606 B9R0.45 C=CCCCOCCSC 34a_100000758997_100000212216 [1,1,0,0,0,0|2,0,0]=4 3607 B9R0.45 C=CCCCOCCSC 7a_100000230434_100000757094 [1,1,0,0,0,0|2,0,0]=4 3608 B9R0.45 C=CCCCOCCSC 7a_100000758997_100000212216 [1,1,0,0,0,0|2,0,0]=4 3609 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [1,1,0,0,0,0|1,0,1]=4 3610 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [1,1,0,0,0,0|1,0,1]=4 3611 B9R0.45 C=CCCCSCCCF 62a_100011713584_100011934791 [1,1,0,0,0,0|2,0,0]=4 3612 B9R0.45 C=CCCCSCCCF 62a_100011934791_100000757094 [1,1,0,0,0,0|2,0,0]=4 3613 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [1,1,0,0,0,0|2,0,0]=4 3614 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [1,1,0,0,0,0|2,0,0]=4 3615 B9R0.45 C=CCCCSCCOC 62a_100000233755_100000757094 [1,1,0,0,0,0|2,0,0]=4 3616 B9R0.45 C=CCCCSCCOC 62a_100011713584_100000233755 [1,1,0,0,0,0|2,0,0]=4 3617 B9R0.45 C=CCCCSCCSC 62a_100000212216_100000757094 [1,1,0,0,0,0|2,0,0]=4 3618 B9R0.45 C=CCCCSCCSC 62a_100011713584_100000751147 [1,1,0,0,0,0|2,0,0]=4 3619 B9R0.45 C=CCCCSCOCC 62a_100000739092_100000757094 [1,1,0,0,0,0|0,0,1]=3 3620 B9R0.45 C=CCCCSCOCC 62a_100011713584_100000739092 [1,1,0,0,0,0|0,0,1]=3 3621 B9R0.45 C=CCCNC/C=C\CC 2230a_100015191253_100103147603 [1,1,0,0,0,0|1,0,0]=3 3622 B9R0.45 C=CCCNCC#CCC 2230a_100015191253_100009813939 [1,1,0,0,0,0|1,0,1]=4 3623 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [1,1,0,0,0,0|1,0,1]=4 3624 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [1,1,0,0,0,0|1,0,1]=4 3625 B9R0.45 C=CCCNCCOCC 2230a_100015191253_100011215890 [1,1,0,0,0,0|0,0,1]=3 3626 B9R0.45 C=CCCNCCOCC 2230a_102516460346_100000754431 [1,1,0,0,0,0|0,0,1]=3 3627 B9R0.45 C=CCCNCCOCC 34a_102516460346_100000754431 [1,1,0,0,0,0|0,0,1]=3 3628 B9R0.45 C=CCCNCCSCC 2230a_100000106463_100000754431 [1,1,0,0,0,0|0,1,1]=4 3629 B9R0.45 C=CCCNCCSCC 2230a_100015191253_100000757381 [1,1,0,0,0,0|0,1,1]=4 3630 B9R0.45 C=CCCOC/C=C\CC 34a_100011205117_100103147603 [1,1,0,0,0,0|1,0,0]=3 3631 B9R0.45 C=CCCOC/C=C\CC 34a_100016268518_100000754431 [1,1,0,0,0,0|1,0,0]=3 3632 B9R0.45 C=CCCOCC#CCC 34a_100000032950_100000754431 [1,1,0,0,0,0|1,0,1]=4 3633 B9R0.45 C=CCCOCC#CCC 34a_100011205117_100009813939 [1,1,0,0,0,0|1,0,1]=4 3634 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [1,1,0,0,0,0|1,0,1]=4 3635 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [1,1,0,0,0,0|1,0,1]=4 3636 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [1,1,0,0,0,0|1,0,1]=4 3637 B9R0.45 C=CCCOCCOCC 34a_100000210136_100000754431 [1,1,0,0,0,0|0,0,1]=3 3638 B9R0.45 C=CCCOCCOCC 34a_100011205117_100000210147 [1,1,0,0,0,0|0,0,1]=3 3639 B9R0.45 C=CCCOCCOCC 7a_100000210136_100000754431 [1,1,0,0,0,0|0,0,1]=3 3640 B9R0.45 C=CCCOCCSCC 34a_100000212035_100000754431 [1,1,0,0,0,0|0,1,1]=4 3641 B9R0.45 C=CCCOCCSCC 34a_100011205117_100000757381 [1,1,0,0,0,0|0,1,1]=4 3642 B9R0.45 C=CCCOCCSCC 7a_100000212035_100000754431 [1,1,0,0,0,0|0,1,1]=4 3643 B9R0.45 C=CCCSC/C=C\CC 62a_100000754431_100103147603 [1,1,0,0,0,0|1,0,0]=3 3644 B9R0.45 C=CCCSC/C=C\CC 62a_100103147603_100000754431 [1,1,0,0,0,0|1,0,0]=3 3645 B9R0.45 C=CCCSCC#CCC 62a_100000754431_100009813939 [1,1,0,0,0,0|1,0,1]=4 3646 B9R0.45 C=CCCSCC#CCC 62a_100009813939_100000754431 [1,1,0,0,0,0|1,0,1]=4 3647 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [1,1,0,0,0,0|1,0,1]=4 3648 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [1,1,0,0,0,0|1,0,1]=4 3649 B9R0.45 C=CCCSCCOCC 62a_100000210147_100000754431 [1,1,0,0,0,0|0,0,1]=3 3650 B9R0.45 C=CCCSCCOCC 62a_100000754431_100011215890 [1,1,0,0,0,0|0,0,1]=3 3651 B9R0.45 C=CCCSCCSCC 62a_100000754431_100000757381 [1,1,0,0,0,0|0,1,1]=4 3652 B9R0.45 C=CCCSCCSCC 62a_100000757381_100000754431 [1,1,0,0,0,0|0,1,1]=4 3653 B9R0.45 C=CCNCC/C=C\CC 2230a_100020586998_100015370543 [1,1,0,0,0,0|1,0,0]=3 3654 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [1,1,0,0,0,0|1,0,1]=4 3655 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [1,1,0,0,0,0|1,0,1]=4 3656 B9R0.45 C=CCNCCCOCC 2230a_100000210961_100000210623 [1,1,0,0,0,0|0,0,1]=3 3657 B9R0.45 C=CCNCCCOCC 2230a_100020586998_100012232248 [1,1,0,0,0,0|0,0,1]=3 3658 B9R0.45 C=CCNCCCOCC 34a_100000210961_100015514636 [1,1,0,0,0,0|0,0,1]=3 3659 B9R0.45 C=CCNCCOCCC 2230a_100020586998_100011215938 [1,1,0,0,0,0|1,0,1]=4 3660 B9R0.45 C=CCNCCOCCC 2230a_100161115042_100000210623 [1,1,0,0,0,0|1,0,1]=4 3661 B9R0.45 C=CCNCCOCCC 34a_100161115042_100015514636 [1,1,0,0,0,0|1,0,1]=4 3662 B9R0.45 C=CCNCCOCCO 2230a_100000211614_100000210623 [1,1,0,0,0,0|1,0,1]=4 3663 B9R0.45 C=CCNCCOCCO 2230a_100020586998_100011215305 [1,1,0,0,0,0|1,0,1]=4 3664 B9R0.45 C=CCNCCOCCO 34a_100000211614_100015514636 [1,1,0,0,0,0|1,0,1]=4 3665 B9R0.45 C=CCNCCSCCC 2230a_100020603323_100000210623 [1,1,0,0,0,0|2,0,0]=4 3666 B9R0.45 C=CCOC/C=C/CCC 34a_100016278788_100015514636 [1,1,0,0,0,0|1,0,1]=4 3667 B9R0.45 C=CCOC/C=C/CCC 7a_100016278788_100015514636 [1,1,0,0,0,0|1,0,1]=4 3668 B9R0.45 C=CCOCC/C=C\CC 34a_100016288707_100015514636 [1,1,0,0,0,0|1,0,0]=3 3669 B9R0.45 C=CCOCC/C=C\CC 34a_200000210373_100015370543 [1,1,0,0,0,0|1,0,0]=3 3670 B9R0.45 C=CCOCC/C=C\CC 7a_100016288707_100015514636 [1,1,0,0,0,0|1,0,0]=3 3671 B9R0.45 C=CCOCCC#CCC 34a_100000036655_100015514636 [1,1,0,0,0,0|1,0,1]=4 3672 B9R0.45 C=CCOCCC#CCC 7a_100000036655_100015514636 [1,1,0,0,0,0|1,0,1]=4 3673 B9R0.45 C=CCOCCC=C=CC 34a_100011020354_100015514636 [1,1,0,0,0,0|1,0,1]=4 3674 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [1,1,0,0,0,0|1,0,1]=4 3675 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [1,1,0,0,0,0|1,0,1]=4 3676 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [1,1,0,0,0,0|1,0,1]=4 3677 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [1,1,0,0,0,0|0,0,1]=3 3678 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [1,1,0,0,0,0|0,0,1]=3 3679 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [1,1,0,0,0,0|0,0,1]=3 3680 B9R0.45 C=CCOCCCSCC 34a_100011216438_100015514636 [1,1,0,0,0,0|0,1,1]=4 3681 B9R0.45 C=CCOCCCSCC 7a_100011216438_100015514636 [1,1,0,0,0,0|0,1,1]=4 3682 B9R0.45 C=CCOCCOCCBr 34a_100000692535_100015514636 [1,1,0,0,0,0|1,0,1]=4 3683 B9R0.45 C=CCOCCOCCBr 7a_100000692535_100015514636 [1,1,0,0,0,0|1,0,1]=4 3684 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [1,1,0,0,0,0|1,0,1]=4 3685 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [1,1,0,0,0,0|1,0,1]=4 3686 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [1,1,0,0,0,0|1,0,1]=4 3687 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [1,1,0,0,0,0|1,0,1]=4 3688 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [1,1,0,0,0,0|1,0,1]=4 3689 B9R0.45 C=CCOCCOCCCl 34a_100011215305_100015514636 [1,1,0,0,0,0|1,0,1]=4 3690 B9R0.45 C=CCOCCOCCCl 7a_100011215305_100015514636 [1,1,0,0,0,0|1,0,1]=4 3691 B9R0.45 C=CCOCCOCCF 34a_100000037705_100011217306 [1,1,0,0,0,0|1,0,1]=4 3692 B9R0.45 C=CCOCCOCCF 34a_200015357709_100015514636 [1,1,0,0,0,0|1,0,1]=4 3693 B9R0.45 C=CCOCCOCCF 7a_100000037705_100011217306 [1,1,0,0,0,0|1,0,1]=4 3694 B9R0.45 C=CCOCCOCCF 7a_200015357709_100015514636 [1,1,0,0,0,0|1,0,1]=4 3695 B9R0.45 C=CCOCCOCCI 34a_100012149058_100015514636 [1,1,0,0,0,0|1,0,1]=4 3696 B9R0.45 C=CCOCCOCCI 7a_100012149058_100015514636 [1,1,0,0,0,0|1,0,1]=4 3697 B9R0.45 C=CCOCCOCCN 34a_100000211614_100015514636 [1,1,0,0,0,0|1,0,1]=4 3698 B9R0.45 C=CCOCCOCCO 34a_100000037705_100000211926 [1,1,0,0,0,0|1,0,1]=4 3699 B9R0.45 C=CCOCCOCCO 34a_200000210373_100000692535 [1,1,0,0,0,0|1,0,1]=4 3700 B9R0.45 C=CCOCCOCCO 7a_100000037705_100000211926 [1,1,0,0,0,0|1,0,1]=4 3701 B9R0.45 C=CCOCCOCSC 34a_100000037705_100011218213 [1,1,0,0,0,0|1,0,1]=4 3702 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [1,1,0,0,0,0|2,0,0]=4 3703 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [1,1,0,0,0,0|2,0,0]=4 3704 B9R0.45 C=CCSCC/C=C\CC 62a_100000210623_100015370543 [1,1,0,0,0,0|1,0,0]=3 3705 B9R0.45 C=CCSCC/C=C\CC 62a_100015370543_100000210623 [1,1,0,0,0,0|1,0,0]=3 3706 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [1,1,0,0,0,0|1,0,1]=4 3707 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [1,1,0,0,0,0|1,0,1]=4 3708 B9R0.45 C=CCSCCCOCC 62a_100000210623_100012232248 [1,1,0,0,0,0|0,0,1]=3 3709 B9R0.45 C=CCSCCCOCC 62a_100012232248_100000210623 [1,1,0,0,0,0|0,0,1]=3 3710 B9R0.45 C=CCSCCOCCC 62a_100000210623_100011215938 [1,1,0,0,0,0|1,0,1]=4 3711 B9R0.45 C=CCSCCOCCC 62a_100011215938_100000210623 [1,1,0,0,0,0|1,0,1]=4 3712 B9R0.45 C=CCSCCOCCO 62a_100000210623_100011215305 [1,1,0,0,0,0|1,0,1]=4 3713 B9R0.45 C=CCSCCOCCO 62a_100011215305_100000210623 [1,1,0,0,0,0|1,0,1]=4 3714 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [1,1,0,0,0,0|0,0,1]=3 3715 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [1,1,0,0,0,0|0,0,1]=3 3716 B9R0.45 C=COCCCCOCF 34a_100000031558_100015361967 [1,1,0,0,0,0|1,0,1]=4 3717 B9R0.45 C=COCCCCOCF 7a_100000031558_100015361967 [1,1,0,0,0,0|1,0,1]=4 3718 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [1,1,0,0,0,0|2,0,0]=4 3719 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [1,1,0,0,0,0|2,0,0]=4 3720 B9R0.45 C=COCCSCOCC 62a_100000039644_100000739092 [1,1,0,0,0,0|1,0,1]=4 3721 B9R0.45 C=COCCSCOCC 62a_100000739092_100000039644 [1,1,0,0,0,0|1,0,1]=4 3722 B9R0.45 CC/C=C\CCOCC=O 34a_100016288707_200009817547 [1,1,0,0,0,0|2,0,0]=4 3723 B9R0.45 CC/C=C\CCOCC=O 7a_100016288707_200015260668 [1,1,0,0,0,0|2,0,0]=4 3724 B9R0.45 CC/C=C\CCSCC=O 62a_100015370543_200015260668 [1,1,0,0,0,0|2,0,0]=4 3725 B9R0.45 CC/C=C\CCSCC=O 62a_200015260668_100015370543 [1,1,0,0,0,0|2,0,0]=4 3726 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [1,1,0,0,0,0|2,0,0]=4 3727 B9R0.45 CC=CCNCCOCC 2230a_102516460346_100000070051 [1,1,0,0,0,0|1,0,1]=4 3728 B9R0.45 CC=CCNCCOCC 34a_102516460346_100000070051 [1,1,0,0,0,0|1,0,1]=4 3729 B9R0.45 CC=CCOC/C=C\CC 34a_100016268518_100000070051 [1,1,0,0,0,0|2,0,0]=4 3730 B9R0.45 CC=CCOCCOCC 34a_100000210136_100000070051 [1,1,0,0,0,0|1,0,1]=4 3731 B9R0.45 CC=CCOCCOCC 7a_100000210136_100000070051 [1,1,0,0,0,0|1,0,1]=4 3732 B9R0.45 CC=CCSC/C=C\CC 62a_100000070051_100103147603 [1,1,0,0,0,0|2,0,0]=4 3733 B9R0.45 CC=CCSC/C=C\CC 62a_100103147603_100000070051 [1,1,0,0,0,0|2,0,0]=4 3734 B9R0.45 CC=CCSCCOCC 62a_100000070051_100011215890 [1,1,0,0,0,0|1,0,1]=4 3735 B9R0.45 CC=CCSCCOCC 62a_100000210147_100000070051 [1,1,0,0,0,0|1,0,1]=4 3736 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [1,1,0,0,0,0|1,0,1]=4 3737 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [1,1,0,0,0,0|1,0,1]=4 3738 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [1,1,0,0,0,0|1,0,1]=4 3739 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [1,1,0,0,0,0|1,0,1]=4 3740 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [1,1,0,0,0,0|1,0,1]=4 3741 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [1,1,0,0,0,0|1,0,1]=4 3742 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [1,1,0,0,0,0|1,0,1]=4 3743 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [1,1,0,0,0,0|1,0,1]=4 3744 B9R0.46 C=CC(=O)CC/C=C\CC 1458a_100000185746_100015370543 [1,1,0,0,0,0|1,0,1]=4 3745 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [1,1,0,0,0,0|0,0,2]=4 3746 B9R0.46 C=CC(C)OC/C=C\CC 34a_100000695699_100103147603 [1,1,0,0,0,0|2,0,0]=4 3747 B9R0.46 C=CC(C)OCCOCC 34a_100000695699_100000210147 [1,1,0,0,0,0|1,0,1]=4 3748 B9R0.46 C=CC(C)SC/C=C\CC 62a_100011215867_100103147603 [1,1,0,0,0,0|2,0,0]=4 3749 B9R0.46 C=CC(C)SCCOCC 62a_100011215867_100011215890 [1,1,0,0,0,0|1,0,1]=4 3750 B9R0.46 C=CC(O)CSCOCC 62a_100000730141_100000739092 [1,1,0,0,0,0|1,0,1]=4 3751 B9R0.46 C=CC(O)CSCOCC 62a_100000739092_100000730141 [1,1,0,0,0,0|1,0,1]=4 3752 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [1,1,0,0,0,0|1,0,1]=4 3753 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [1,1,0,0,0,0|1,0,1]=4 3754 B9R0.46 C=CCCCCN(C)CC 2230a_100000225621_100011215482 [1,1,0,0,0,0|1,0,1]=4 3755 B9R0.46 C=CCCCCN(C)CC 2230a_100012000471_100000210202 [1,1,0,0,0,0|1,0,1]=4 3756 B9R0.46 C=CCCCCN(C)CC 269982a_100000225621_100011215482 [1,1,0,0,0,0|1,0,1]=4 3757 B9R0.46 C=CCCCCN(C)CC 269982a_100012000471_100000204670 [1,1,0,0,0,0|1,0,1]=4 3758 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [1,1,0,0,0,0|2,0,0]=4 3759 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [1,1,0,0,0,0|2,0,0]=4 3760 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [1,1,0,0,0,0|2,0,0]=4 3761 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [1,1,0,0,0,0|2,0,0]=4 3762 B9R0.46 C=CCCCNC(C)CC 2230a_100000209981_100011713584 [1,1,0,0,0,0|2,0,0]=4 3763 B9R0.46 C=CCCCNC(C)CC 2230a_100000700776_100000758301 [1,1,0,0,0,0|2,0,0]=4 3764 B9R0.46 C=CCCCNC(C)CC 34a_100000700776_100011215416 [1,1,0,0,0,0|2,0,0]=4 3765 B9R0.46 C=CCCCOC(C)CC 34a_100000758997_100011215416 [1,1,0,0,0,0|2,0,0]=4 3766 B9R0.46 C=CCCCOC(C)CC 7a_100000210228_100000757094 [1,1,0,0,0,0|2,0,0]=4 3767 B9R0.46 C=CCCCOC(C)CC 7a_100000758997_100000758301 [1,1,0,0,0,0|2,0,0]=4 3768 B9R0.46 C=CCCCSC(C)CC 62a_100000758301_100000757094 [1,1,0,0,0,0|2,0,0]=4 3769 B9R0.46 C=CCCCSC(C)CC 62a_100011713584_100000758301 [1,1,0,0,0,0|2,0,0]=4 3770 B9R0.1 C=C(C)CNCC(=O)NC 2230a_100000693194_100000748629 [1,1,0,0,0,0|2,0,0]=4 3771 B9R0.1 C=C(C)CNNC(=O)CC 22a_100000729518_100000210414 [1,1,0,0,0,0|2,0,0]=4 3772 B9R0.1 C=C(C)COCC(=O)CC 34a_100000725409_100000748629 [1,1,0,0,0,0|1,0,0]=3 3773 B9R0.1 C=C(C)COCC(=O)NC 34a_100000210245_100000183359 [1,1,0,0,0,0|2,0,0]=4 3774 B9R0.1 C=C(C)COCC(=O)NC 34a_100000750040_100000748629 [1,1,0,0,0,0|2,0,0]=4 3775 B9R0.1 C=C(C)COCC(=O)OC 34a_100000210245_100000747449 [1,1,0,0,0,0|1,0,0]=3 3776 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000747405_100000211660 [1,1,0,0,0,0|1,0,0]=3 3777 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000748629_100000747405 [1,1,0,0,0,0|1,0,0]=3 3778 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000183359_100000211660 [1,1,0,0,0,0|2,0,0]=4 3779 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000748629_100000183359 [1,1,0,0,0,0|2,0,0]=4 3780 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000747449_100000211660 [1,1,0,0,0,0|1,0,0]=3 3781 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000748629_100000747449 [1,1,0,0,0,0|1,0,0]=3 3782 B9R0.1 C=C(F)CNCC(=O)NC 2230a_100000693194_100009893438 [1,1,0,0,0,0|2,0,0]=4 3783 B9R0.1 C=C(F)COCC(=O)CC 34a_100000725409_100009893438 [1,1,0,0,0,0|1,0,0]=3 3784 B9R0.1 C=C(F)COCC(=O)NC 34a_100000750040_100009893438 [1,1,0,0,0,0|2,0,0]=4 3785 B9R0.1 C=C(F)COCC(=O)NC 34a_200010262243_100000183359 [1,1,0,0,0,0|2,0,0]=4 3786 B9R0.1 C=C(F)COCC(=O)OC 34a_200010262243_100000747449 [1,1,0,0,0,0|1,0,0]=3 3787 B9R0.1 C=C(F)CSCC(=O)CC 62a_100000042424_100000747405 [1,1,0,0,0,0|1,0,0]=3 3788 B9R0.1 C=C(F)CSCC(=O)CC 62a_100000747405_100000042424 [1,1,0,0,0,0|1,0,0]=3 3789 B9R0.1 C=C(F)CSCC(=O)NC 62a_100000042424_100000183359 [1,1,0,0,0,0|2,0,0]=4 3790 B9R0.1 C=C(F)CSCC(=O)NC 62a_100000183359_100000042424 [1,1,0,0,0,0|2,0,0]=4 3791 B9R0.1 C=C(F)CSCC(=O)OC 62a_100000042424_100000747449 [1,1,0,0,0,0|1,0,0]=3 3792 B9R0.1 C=C(F)CSCC(=O)OC 62a_100000747449_100000042424 [1,1,0,0,0,0|1,0,0]=3 3793 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [1,1,0,0,0,0|1,0,1]=4 3794 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [1,1,0,0,0,0|0,0,2]=4 3795 B9R0.1 CCC(=O)CCC=C(F)F 1458a_100000210414_200009816681 [1,1,0,0,0,0|1,0,1]=4 3796 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [1,1,0,0,0,0|0,0,1]=3 3797 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [1,1,0,0,0,0|1,0,0]=3 3798 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [1,1,0,0,0,0|0,0,2]=4 3799 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [1,1,0,0,0,0|0,0,2]=4 3800 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [1,1,0,0,0,0|0,0,2]=4 3801 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [1,1,0,0,0,0|1,0,1]=4 3802 B9R0.1 CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210202 [1,1,0,0,0,0|2,0,0]=4 3803 B9R0.1 CCC(=O)CCN=C(N)N 1458a_100000033030_100000210202 [1,1,0,0,0,0|2,0,0]=4 3804 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [1,1,0,0,0,0|1,0,1]=4 3805 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [1,1,0,0,0,0|1,0,1]=4 3806 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000181464_100000210202 [1,1,0,0,0,0|2,0,0]=4 3807 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000210414_200000034859 [1,1,0,0,0,0|2,0,0]=4 3808 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [1,1,0,0,0,0|1,0,1]=4 3809 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [1,1,0,0,0,0|2,0,0]=4 3810 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [1,1,0,0,0,0|1,0,1]=4 3811 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [1,1,0,0,0,0|2,0,0]=4 3812 B9R0.1 CCC(=O)COCC(=O)N 1458a_100011219004_100000210202 [1,1,0,0,0,0|2,0,0]=4 3813 B9R0.1 CCC(=O)COCC(=O)N 34a_100000725409_100000187820 [1,1,0,0,0,0|2,0,0]=4 3814 B9R0.1 CCC(=O)COCC(=O)[O-] 34a_100000725409_100020667443 [1,1,0,0,0,0|2,0,0]=4 3815 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747405_100000747473 [1,1,0,0,0,0|2,0,0]=4 3816 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747473_100000747405 [1,1,0,0,0,0|2,0,0]=4 3817 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100000747405_100020667443 [1,1,0,0,0,0|2,0,0]=4 3818 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747405 [1,1,0,0,0,0|2,0,0]=4 3819 B9R0.1 CCC(=O)NCCC(=O)N 11a_100000740010_100000210414 [1,1,0,0,0,0|2,0,0]=4 3820 B9R0.1 CCC(=O)NCCC(=O)N 240690a_100000740010_100000210414 [1,1,0,0,0,0|2,0,0]=4 3821 B9R0.1 CCC(=O)NCCC(=O)N 527a_100000740010_100000210414 [1,1,0,0,0,0|2,0,0]=4 3822 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [1,1,0,0,0,0|1,0,1]=4 3823 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [1,1,0,0,0,0|0,0,1]=3 3824 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [1,1,0,0,0,0|0,0,1]=3 3825 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [1,1,0,0,0,0|0,0,1]=3 3826 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [1,1,0,0,0,0|1,0,1]=4 3827 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [1,1,0,0,0,0|1,0,1]=4 3828 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [1,1,0,0,0,0|1,0,1]=4 3829 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [1,1,0,0,0,0|1,0,1]=4 3830 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [1,1,0,0,0,0|1,0,1]=4 3831 B9R0.1 COC(=O)CNCC(=O)N 2230a_100000711301_100000747449 [1,1,0,0,0,0|2,0,0]=4 3832 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [1,1,0,0,0,0|2,0,0]=4 3833 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [1,1,0,0,0,0|1,0,1]=4 3834 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [1,1,0,0,0,0|1,0,1]=4 3835 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747449_100000747473 [1,1,0,0,0,0|2,0,0]=4 3836 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747473_100000747449 [1,1,0,0,0,0|2,0,0]=4 3837 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [1,1,0,0,0,0|1,0,1]=4 3838 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100000747449_100020667443 [1,1,0,0,0,0|2,0,0]=4 3839 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100020667443_100000747449 [1,1,0,0,0,0|2,0,0]=4 3840 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [1,1,0,0,0,0|2,0,0]=4 3841 B9R0.20 C=CCCNS(=O)(=O)CC 270084a_100015191253_100000211323 [1,1,0,0,0,0|2,0,0]=4 3842 B9R0.20 C=CCCNS(=O)(=O)CC 274078a_100015191253_100000211323 [1,1,0,0,0,0|2,0,0]=4 3843 B9R0.20 C=CCCNS(=O)(=O)CC 40a_100015191253_100000053943 [1,1,0,0,0,0|2,0,0]=4 3844 B9R0.24 C=CC(=O)NCC(=O)CC 1458a_200011222540_100000210202 [1,1,0,0,0,0|1,0,1]=4 3845 B9R0.24 C=CC(C)OCC(=O)NC 34a_100000695699_100000183359 [1,1,0,0,0,0|2,0,0]=4 3846 B9R0.24 C=CC(C)OCC(=O)OC 34a_100000695699_100000747449 [1,1,0,0,0,0|1,0,0]=3 3847 B9R0.24 C=CC(C)SCC(=O)CC 62a_100011215867_100000747405 [1,1,0,0,0,0|1,0,0]=3 3848 B9R0.24 C=CC(C)SCC(=O)NC 62a_100011215867_100000183359 [1,1,0,0,0,0|2,0,0]=4 3849 B9R0.24 C=CC(C)SCC(=O)OC 62a_100011215867_100000747449 [1,1,0,0,0,0|1,0,0]=3 3850 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [1,1,0,0,0,0|0,0,2]=4 3851 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000210198_100000731252 [1,1,0,0,0,0|0,0,2]=4 3852 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000690238_100000210206 [1,1,0,0,0,0|0,0,2]=4 3853 B9R0.47 C#CCCCC(=O)C(C)F 1458a_100000062450_100000731252 [1,1,0,0,0,0|0,0,2]=4 3854 B9R0.47 C#CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000731252 [1,1,0,0,0,0|0,0,2]=4 3855 B9R0.47 C#CCCCC(=O)[C@H](C)O 1458a_217856618621_100000731252 [1,1,0,0,0,0|0,0,2]=4 3856 B9R0.47 C=CCCCC(=O)C(=C)C 1458a_100000185857_100000757094 [1,1,0,0,0,0|0,0,1]=3 3857 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000210198_100000757094 [1,1,0,0,0,0|0,0,0]=2 3858 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000766728_100000210206 [1,1,0,0,0,0|0,0,0]=2 3859 B9R0.47 C=CCCCC(=O)C(C)F 1458a_100000062450_100000757094 [1,1,0,0,0,0|0,0,0]=2 3860 B9R0.47 C=CCCCC(=O)C(O)O 1458a_100000233687_100000757094 [1,1,0,0,0,0|1,0,0]=3 3861 B9R0.47 C=CCCCC(=O)N(C)C 11a_100102631434_100000766728 [1,1,0,0,0,0|1,0,0]=3 3862 B9R0.47 C=CCCCC(=O)N(C)C 1626a_100102631434_100000766728 [1,1,0,0,0,0|1,0,0]=3 3863 B9R0.47 C=CCCCC(=O)N(C)C 240690a_100102631434_100000766728 [1,1,0,0,0,0|1,0,0]=3 3864 B9R0.47 C=CCCCC(=O)N(C)C 527a_100102631434_100000766728 [1,1,0,0,0,0|1,0,0]=3 3865 B9R0.47 C=CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000757094 [1,1,0,0,0,0|0,0,0]=2 3866 B9R0.47 C=CCCCC(=O)[C@H](C)O 1458a_217856618621_100000757094 [1,1,0,0,0,0|0,0,0]=2 3867 B9R0.47 C=CCCCN(C)C(C)C 269982a_200000211004_100000757094 [1,1,0,0,0,0|2,0,0]=4 3868 B9R0.47 C=CCCNC(=O)C(=C)C 11a_100015191253_100000185857 [1,1,0,0,0,0|1,0,1]=4 3869 B9R0.47 C=CCCNC(=O)C(=C)C 1626a_100015191253_100000185857 [1,1,0,0,0,0|1,0,1]=4 3870 B9R0.47 C=CCCNC(=O)C(C)C 11a_100015191253_100000210198 [1,1,0,0,0,0|1,0,0]=3 3871 B9R0.47 C=CCCNC(=O)C(C)C 1626a_100015191253_100000210198 [1,1,0,0,0,0|1,0,0]=3 3872 B9R0.47 C=CCCNC(=O)C(C)C 240690a_100015191253_100000210198 [1,1,0,0,0,0|1,0,0]=3 3873 B9R0.47 C=CCCNC(=O)C(C)C 527a_100015191253_100000210198 [1,1,0,0,0,0|1,0,0]=3 3874 B9R0.47 C=CCCNC(=O)C(C)F 11a_100015191253_100000062450 [1,1,0,0,0,0|1,0,0]=3 3875 B9R0.47 C=CCCNC(=O)C(C)F 1626a_100015191253_100000062450 [1,1,0,0,0,0|1,0,0]=3 3876 B9R0.47 C=CCCNC(=O)C(C)F 240690a_100015191253_100000062450 [1,1,0,0,0,0|1,0,0]=3 3877 B9R0.47 C=CCCNC(=O)C(C)F 527a_100015191253_100000062450 [1,1,0,0,0,0|1,0,0]=3 3878 B9R0.47 C=CCCNC(=O)C(F)F 11a_100015191253_100000210393 [1,1,0,0,0,0|2,0,0]=4 3879 B9R0.47 C=CCCNC(=O)C(F)F 1626a_100015191253_100000210393 [1,1,0,0,0,0|2,0,0]=4 3880 B9R0.47 C=CCCNC(=O)C(F)F 240690a_100015191253_100000210393 [1,1,0,0,0,0|2,0,0]=4 3881 B9R0.47 C=CCCNC(=O)C(F)F 527a_100015191253_100000210393 [1,1,0,0,0,0|2,0,0]=4 3882 B9R0.47 C=CCCNC(=O)C(O)O 240690a_100015191253_100000233687 [1,1,0,0,0,0|2,0,0]=4 3883 B9R0.47 C=CCCNC(=O)N(C)C 2708a_100015191253_100102631434 [1,1,0,0,0,0|2,0,0]=4 3884 B9R0.47 C=CCCNC(=O)[C@@H](C)O 240690a_100015191253_100000717761 [1,1,0,0,0,0|1,0,0]=3 3885 B9R0.47 C=CCCNC(=O)[C@H](C)O 1626a_100015191253_217856618621 [1,1,0,0,0,0|1,0,0]=3 3886 B9R0.47 C=CCCNC(=O)[C@H](C)O 240690a_100015191253_217856618621 [1,1,0,0,0,0|1,0,0]=3 3887 B9R0.47 C=CCNCC(=O)C(C)C 2230a_100020586998_100000753385 [1,1,0,0,0,0|1,0,0]=3 3888 B9R0.47 C=CCNCC(=O)N(C)C 2230a_100015183351_100000210623 [1,1,0,0,0,0|2,0,0]=4 3889 B9R0.47 C=CCNCC(=O)N(C)C 2230a_100020586998_100000185267 [1,1,0,0,0,0|2,0,0]=4 3890 B9R0.47 C=CCNNC(=O)C(C)C 22a_100020588587_100000210198 [1,1,0,0,0,0|2,0,0]=4 3891 B9R0.47 C=CCNNC(=O)C(C)F 22a_100020588587_100000062450 [1,1,0,0,0,0|2,0,0]=4 3892 B9R0.47 C=CCNNC(=O)[C@@H](C)O 22a_100020588587_100000717761 [1,1,0,0,0,0|2,0,0]=4 3893 B9R0.47 C=CCNNC(=O)[C@H](C)O 22a_100020588587_217856618621 [1,1,0,0,0,0|2,0,0]=4 3894 B9R0.47 C=CCOCC(=O)C(=O)C 34a_200000210373_100011261029 [1,1,0,0,0,0|1,0,1]=4 3895 B9R0.47 C=CCOCC(=O)C(C)C 34a_200000210373_100000753385 [1,1,0,0,0,0|1,0,0]=3 3896 B9R0.47 C=CCOCC(=O)N(C)C 34a_200000210373_100000692301 [1,1,0,0,0,0|2,0,0]=4 3897 B9R0.47 C=CCSCC(=O)C(=O)C 62a_100000210623_100011261029 [1,1,0,0,0,0|1,0,1]=4 3898 B9R0.47 C=CCSCC(=O)C(=O)C 62a_100011261029_100000210623 [1,1,0,0,0,0|1,0,1]=4 3899 B9R0.47 C=CCSCC(=O)C(C)C 1458a_100000230395_100000210206 [1,1,0,0,0,0|1,0,0]=3 3900 B9R0.47 C=CCSCC(=O)C(C)C 62a_100000210623_100000753385 [1,1,0,0,0,0|1,0,0]=3 3901 B9R0.47 C=CCSCC(=O)C(C)C 62a_100000753385_100000210623 [1,1,0,0,0,0|1,0,0]=3 3902 B9R0.47 C=CCSCC(=O)N(C)C 11a_100102631434_100000230395 [1,1,0,0,0,0|2,0,0]=4 3903 B9R0.47 C=CCSCC(=O)N(C)C 1626a_100102631434_100000230395 [1,1,0,0,0,0|2,0,0]=4 3904 B9R0.47 C=CCSCC(=O)N(C)C 240690a_100102631434_100000230395 [1,1,0,0,0,0|2,0,0]=4 3905 B9R0.47 C=CCSCC(=O)N(C)C 527a_100102631434_100000230395 [1,1,0,0,0,0|2,0,0]=4 3906 B9R0.47 C=CCSCC(=O)N(C)C 62a_100000210623_100000692301 [1,1,0,0,0,0|2,0,0]=4 3907 B9R0.47 C=CCSCC(=O)N(C)C 62a_100000692301_100000210623 [1,1,0,0,0,0|2,0,0]=4 3908 B9R0.47 C=COCCC(=O)C(=C)C 1458a_100000185857_100000039644 [1,1,0,0,0,0|1,0,1]=4 3909 B9R0.47 C=COCCC(=O)C(C)C 1458a_100000210198_100000039644 [1,1,0,0,0,0|1,0,0]=3 3910 B9R0.47 C=COCCC(=O)C(C)F 1458a_100000062450_100000039644 [1,1,0,0,0,0|1,0,0]=3 3911 B9R0.47 C=COCCC(=O)C(O)O 1458a_100000233687_100000039644 [1,1,0,0,0,0|2,0,0]=4 3912 B9R0.47 C=COCCC(=O)[C@@H](C)O 1458a_100000717761_100000039644 [1,1,0,0,0,0|1,0,0]=3 3913 B9R0.47 C=COCCC(=O)[C@H](C)O 1458a_217856618621_100000039644 [1,1,0,0,0,0|1,0,0]=3 3914 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000075515_100000210206 [1,1,0,0,0,0|1,0,1]=4 3915 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000210198_100000211468 [1,1,0,0,0,0|1,0,1]=4 3916 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [1,1,0,0,0,0|1,0,1]=4 3917 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [1,1,0,0,0,0|1,0,1]=4 3918 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [1,1,0,0,0,0|1,0,1]=4 3919 B9R0.47 CC(C)C(=O)CSCC=O 62a_100000753385_200015260668 [1,1,0,0,0,0|2,0,0]=4 3920 B9R0.47 CC(C)C(=O)CSCC=O 62a_200015260668_100000753385 [1,1,0,0,0,0|2,0,0]=4 3921 B9R0.47 CC(F)C(=O)CCCC#N 1458a_100000062450_100000211468 [1,1,0,0,0,0|1,0,1]=4 3922 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [1,1,0,0,0,0|1,0,1]=4 3923 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [1,1,0,0,0,0|1,0,1]=4 3924 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [1,1,0,0,0,0|0,0,2]=4 3925 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [1,1,0,0,0,0|0,0,2]=4 3926 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [1,1,0,0,0,0|0,0,2]=4 3927 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [1,1,0,0,0,0|0,0,2]=4 3928 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [1,1,0,0,0,0|0,0,2]=4 3929 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [1,1,0,0,0,0|1,0,1]=4 3930 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [1,1,0,0,0,0|1,0,1]=4 3931 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [1,1,0,0,0,0|1,0,1]=4 3932 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [1,1,0,0,0,0|1,0,1]=4 3933 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [1,1,0,0,0,0|1,0,1]=4 3934 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [1,1,0,0,0,0|1,0,1]=4 3935 B9R0.47 C[C@@H](O)C(=O)CCCC#N 1458a_100000717761_100000211468 [1,1,0,0,0,0|1,0,1]=4 3936 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [1,1,0,0,0,0|1,0,1]=4 3937 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [1,1,0,0,0,0|1,0,1]=4 3938 B9R0.47 C[C@H](O)C(=O)CCCC#N 1458a_217856618621_100000211468 [1,1,0,0,0,0|1,0,1]=4 3939 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [1,1,0,0,0,0|1,0,1]=4 3940 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [1,1,0,0,0,0|1,0,1]=4 3941 B9R0.50 C=CCCCN(CC)CC 2230a_100000724800_100011713584 [1,1,0,0,0,0|2,0,0]=4 3942 B9R0.50 C=CCCCN(CC)CC 269956a_100000042499_100011713584 [1,1,0,0,0,0|2,0,0]=4 3943 B9R0.50 C=CCCCN(CC)CC 269982a_100000724800_100000757094 [1,1,0,0,0,0|2,0,0]=4 3944 B11R0.2 C#CCCNCC(=O)OC(C)C 34a_100000755551_100011215430 [0,2,0,0,0,0|0,0,2]=4 3945 B11R0.2 C#CCCOCC(=O)OC(C)C 34a_100011215631_100011215430 [0,2,0,0,0,0|0,0,2]=4 3946 B11R0.2 C#CCCSCC(=O)OC(C)C 62a_100000688953_100011215430 [0,2,0,0,0,0|0,0,2]=4 3947 B11R0.2 C#CCCSCC(=O)OC(C)C 62a_100011215430_100000688953 [0,2,0,0,0,0|0,0,2]=4 3948 B11R0.2 C#CCSCCC(=O)OC(C)C 62a_100000038162_100000760027 [0,2,0,0,0,0|0,0,2]=4 3949 B11R0.2 C/C=C/COCC(=O)NC(C)C 34a_100016270725_100000183996 [0,2,0,0,0,0|2,0,0]=4 3950 B11R0.2 C/C=C/COCC(=O)OC(C)C 34a_100016270725_100011215430 [0,2,0,0,0,0|1,0,0]=3 3951 B11R0.2 C/C=C/CSCC(=O)NC(C)C 62a_100000183996_100102629194 [0,2,0,0,0,0|2,0,0]=4 3952 B11R0.2 C/C=C/CSCC(=O)NC(C)C 62a_100102629194_100000183996 [0,2,0,0,0,0|2,0,0]=4 3953 B11R0.2 C/C=C/CSCC(=O)OC(C)C 62a_100011215430_100102629194 [0,2,0,0,0,0|1,0,0]=3 3954 B11R0.2 C/C=C/CSCC(=O)OC(C)C 62a_100102629194_100011215430 [0,2,0,0,0,0|1,0,0]=3 3955 B11R0.2 C=CCCCCC(=O)C=C(C)C 1458a_100000211388_100011215482 [0,2,0,0,0,0|1,0,1]=4 3956 B11R0.2 C=CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100011215482 [0,2,0,0,0,0|1,0,1]=4 3957 B11R0.2 C=CCCCCC(=O)C=C(C)I 1458a_100025716642_100011215482 [0,2,0,0,0,0|1,0,1]=4 3958 B11R0.2 C=CCCCCC(=O)CC(=C)C 1458a_100011215552_100000748629 [0,2,0,0,0,0|1,0,1]=4 3959 B11R0.2 C=CCCCCC(=O)CC(C)C 1458a_100000210554_100011215482 [0,2,0,0,0,0|1,0,0]=3 3960 B11R0.2 C=CCCCCC(=O)CC(C)C 1458a_100011215552_100000210624 [0,2,0,0,0,0|1,0,0]=3 3961 B11R0.2 C=CCCCCC(=O)CC(C)O 1458a_100011215552_100011218427 [0,2,0,0,0,0|1,0,0]=3 3962 B11R0.2 C=CCCCCC(=O)CC(F)F 1458a_100011215552_100011934356 [0,2,0,0,0,0|2,0,0]=4 3963 B11R0.2 C=CCCCCC(=O)CN(C)C 1458a_100000750896_100011215482 [0,2,0,0,0,0|2,0,0]=4 3964 B11R0.2 C=CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215482 [0,2,0,0,0,0|1,0,0]=3 3965 B11R0.2 C=CCCCCC(=O)C[S+](C)C 1458a_200159257847_100011215482 [0,2,0,0,0,0|2,0,0]=4 3966 B11R0.2 C=CCCCCC(=O)NC(C)C 11a_100138425928_100011215552 [0,2,0,0,0,0|1,0,0]=3 3967 B11R0.2 C=CCCCCC(=O)NC(C)C 1626a_100138425928_100011215552 [0,2,0,0,0,0|1,0,0]=3 3968 B11R0.2 C=CCCCCC(=O)NC(C)C 240690a_100138425928_100011215552 [0,2,0,0,0,0|1,0,0]=3 3969 B11R0.2 C=CCCCCC(=O)NC(C)C 527a_100138425928_100011215552 [0,2,0,0,0,0|1,0,0]=3 3970 B11R0.2 C=CCCCNC(=O)C=C(C)C 11a_100000700776_100000211388 [0,2,0,0,0,0|1,0,1]=4 3971 B11R0.2 C=CCCCNC(=O)C=C(C)C 1626a_100000700776_100000211388 [0,2,0,0,0,0|1,0,1]=4 3972 B11R0.2 C=CCCCNC(=O)C=C(C)C 240690a_100000700776_100000211388 [0,2,0,0,0,0|1,0,1]=4 3973 B11R0.2 C=CCCCNC(=O)C=C(C)Cl 11a_100000700776_200042562850 [0,2,0,0,0,0|1,0,1]=4 3974 B11R0.2 C=CCCCNC(=O)C=C(C)Cl 1626a_100000700776_200042562850 [0,2,0,0,0,0|1,0,1]=4 3975 B11R0.2 C=CCCCNC(=O)C=C(C)Cl 240690a_100000700776_200042562850 [0,2,0,0,0,0|1,0,1]=4 3976 B11R0.2 C=CCCCNC(=O)C=C(C)I 11a_100000700776_100025716642 [0,2,0,0,0,0|1,0,1]=4 3977 B11R0.2 C=CCCCNC(=O)C=C(C)I 1626a_100000700776_100025716642 [0,2,0,0,0,0|1,0,1]=4 3978 B11R0.2 C=CCCCNC(=O)CC(C)C 11a_100000700776_100000210554 [0,2,0,0,0,0|1,0,0]=3 3979 B11R0.2 C=CCCCNC(=O)CC(C)C 1626a_100000700776_100000210554 [0,2,0,0,0,0|1,0,0]=3 3980 B11R0.2 C=CCCCNC(=O)CC(C)C 240690a_100000700776_100000210554 [0,2,0,0,0,0|1,0,0]=3 3981 B11R0.2 C=CCCCNC(=O)CC(C)C 527a_100000700776_100000210554 [0,2,0,0,0,0|1,0,0]=3 3982 B11R0.2 C=CCCCNC(=O)CN(C)C 11a_100000700776_100000750896 [0,2,0,0,0,0|2,0,0]=4 3983 B11R0.2 C=CCCCNC(=O)CN(C)C 240690a_100000700776_100000750896 [0,2,0,0,0,0|2,0,0]=4 3984 B11R0.2 C=CCCCNC(=O)CN(C)C 527a_100000700776_100000750896 [0,2,0,0,0,0|2,0,0]=4 3985 B11R0.2 C=CCCCNC(=O)C[C@@H](C)O 240690a_100000700776_100011933948 [0,2,0,0,0,0|1,0,0]=3 3986 B11R0.2 C=CCCCNC(=O)C[S+](C)C 11a_100000700776_200159257847 [0,2,0,0,0,0|2,0,0]=4 3987 B11R0.2 C=CCCCNC(=O)C[S+](C)C 1626a_100000700776_200159257847 [0,2,0,0,0,0|2,0,0]=4 3988 B11R0.2 C=CCCCNC(=O)C[S+](C)C 240690a_100000700776_200159257847 [0,2,0,0,0,0|2,0,0]=4 3989 B11R0.2 C=CCCCNC(=O)C[S+](C)C 527a_100000700776_200159257847 [0,2,0,0,0,0|2,0,0]=4 3990 B11R0.2 C=CCCCNC(=O)NC(C)C 2708a_100000700776_100138425928 [0,2,0,0,0,0|1,0,0]=3 3991 B11R0.2 C=CCCCNC(=O)NC(C)C 2708a_100138425928_100000700776 [0,2,0,0,0,0|1,0,0]=3 3992 B11R0.2 C=CCCCNC(=O)NC(C)C 273464a_100138425928_100000700776 [0,2,0,0,0,0|1,0,0]=3 3993 B11R0.2 C=CCCCNC(=O)NC(C)C 512a_100000700776_100138425928 [0,2,0,0,0,0|1,0,0]=3 3994 B11R0.2 C=CCCCNC(=O)NC(C)C 512a_100138425928_100000700776 [0,2,0,0,0,0|1,0,0]=3 3995 B11R0.2 C=CCCNCC(=O)NC(C)C 2230a_100000168517_100000754431 [0,2,0,0,0,0|1,0,0]=3 3996 B11R0.2 C=CCCNCC(=O)NC(C)C 2230a_100015191253_100000183996 [0,2,0,0,0,0|1,0,0]=3 3997 B11R0.2 C=CCCNCC(=O)OC(C)C 2230a_100015191253_100011215430 [0,2,0,0,0,0|0,0,0]=2 3998 B11R0.2 C=CCCOCC(=O)NC(C)C 34a_100011205117_100000183996 [0,2,0,0,0,0|1,0,0]=3 3999 B11R0.2 C=CCCOCC(=O)OC(C)C 34a_100011205117_100011215430 [0,2,0,0,0,0|0,0,0]=2 4000 B11R0.2 C=CCCSCC(=O)NC(=O)C 62a_100000754431_100000183797 [0,2,0,0,0,0|1,0,1]=4 4001 B11R0.2 C=CCCSCC(=O)NC(C)C 62a_100000183996_100000754431 [0,2,0,0,0,0|1,0,0]=3 4002 B11R0.2 C=CCCSCC(=O)NC(C)C 62a_100000754431_100000183996 [0,2,0,0,0,0|1,0,0]=3 4003 B11R0.2 C=CCCSCC(=O)OC(C)C 62a_100000754431_100011215430 [0,2,0,0,0,0|0,0,0]=2 4004 B11R0.2 C=CCCSCC(=O)OC(C)C 62a_100011215430_100000754431 [0,2,0,0,0,0|0,0,0]=2 4005 B11R0.2 C=CCNCCC(=O)NC(C)C 2230a_100020586998_100000737564 [0,2,0,0,0,0|1,0,0]=3 4006 B11R0.2 C=CCNCCC(=O)OC(C)C 2230a_100020586998_100000760027 [0,2,0,0,0,0|0,0,0]=2 4007 B11R0.2 C=CCOCCC(=O)CC(=C)C 1458a_200011217002_100000748629 [0,2,0,0,0,0|1,0,1]=4 4008 B11R0.2 C=CCOCCC(=O)CC(C)C 1458a_200011217002_100000210624 [0,2,0,0,0,0|1,0,0]=3 4009 B11R0.2 C=CCOCCC(=O)CC(C)O 1458a_200011217002_100011218427 [0,2,0,0,0,0|1,0,0]=3 4010 B11R0.2 C=CCOCCC(=O)CC(F)F 1458a_200011217002_100011934356 [0,2,0,0,0,0|2,0,0]=4 4011 B11R0.2 C=CCOCCC(=O)NC(C)C 11a_100138425928_200011217002 [0,2,0,0,0,0|1,0,0]=3 4012 B11R0.2 C=CCOCCC(=O)NC(C)C 1626a_100138425928_200011217002 [0,2,0,0,0,0|1,0,0]=3 4013 B11R0.2 C=CCOCCC(=O)NC(C)C 240690a_100138425928_200011217002 [0,2,0,0,0,0|1,0,0]=3 4014 B11R0.2 C=CCOCCC(=O)NC(C)C 527a_100138425928_200011217002 [0,2,0,0,0,0|1,0,0]=3 4015 B11R0.2 C=CCSCCC(=O)NC(C)C 62a_100000210623_100000737564 [0,2,0,0,0,0|1,0,0]=3 4016 B11R0.2 C=CCSCCC(=O)NC(C)C 62a_100000737564_100000210623 [0,2,0,0,0,0|1,0,0]=3 4017 B11R0.2 C=CCSCCC(=O)OC(C)C 62a_100000210623_100000760027 [0,2,0,0,0,0|0,0,0]=2 4018 B11R0.2 C=CCSCCC(=O)OC(C)C 62a_100000760027_100000210623 [0,2,0,0,0,0|0,0,0]=2 4019 B11R0.2 C=CCSCOC(=O)OC(C)C 62a_100000003507_100000210623 [0,2,0,0,0,0|1,0,0]=3 4020 B11R0.2 C=CCSCOC(=O)OC(C)C 62a_100000210623_100000003507 [0,2,0,0,0,0|1,0,0]=3 4021 B11R0.2 CC(C)NC(=O)CCSCC=O 62a_100000737564_200015260668 [0,2,0,0,0,0|2,0,0]=4 4022 B11R0.2 CC(C)NC(=O)CCSCC=O 62a_200015260668_100000737564 [0,2,0,0,0,0|2,0,0]=4 4023 B11R0.2 CC(C)OC(=O)CCNCCO 2230a_100016997473_100000760027 [0,2,0,0,0,0|1,0,1]=4 4024 B11R0.2 CC(C)OC(=O)CCSCC#N 62a_100000760027_100011215382 [0,2,0,0,0,0|1,0,1]=4 4025 B11R0.2 CC(C)OC(=O)CCSCC#N 62a_100011215382_100000760027 [0,2,0,0,0,0|1,0,1]=4 4026 B11R0.2 CC(C)OC(=O)CCSCC=O 62a_100000760027_200015260668 [0,2,0,0,0,0|1,0,0]=3 4027 B11R0.2 CC(C)OC(=O)CCSCC=O 62a_200015260668_100000760027 [0,2,0,0,0,0|1,0,0]=3 4028 B11R0.2 CC(C)OC(=O)CCSCCF 62a_100000760027_100011217306 [0,2,0,0,0,0|1,0,1]=4 4029 B11R0.2 CC(C)OC(=O)CCSCCF 62a_100011217306_100000760027 [0,2,0,0,0,0|1,0,1]=4 4030 B11R0.2 CC(C)OC(=O)CCSCCO 62a_100000211926_100000760027 [0,2,0,0,0,0|1,0,1]=4 4031 B11R0.2 CC(C)OC(=O)CCSCCO 62a_100000760027_100000211926 [0,2,0,0,0,0|1,0,1]=4 4032 B11R0.2 CC(C)OC(=O)CNCCCF 2230a_100015189416_100011215430 [0,2,0,0,0,0|1,0,1]=4 4033 B11R0.2 CC(C)OC(=O)CNCCCF 34a_100015189416_100011215430 [0,2,0,0,0,0|1,0,1]=4 4034 B11R0.2 CC(C)OC(=O)COCCCBr 34a_100011217188_100011215430 [0,2,0,0,0,0|1,0,1]=4 4035 B11R0.2 CC(C)OC(=O)COCCCCl 34a_100000230001_100011215430 [0,2,0,0,0,0|1,0,1]=4 4036 B11R0.2 CC(C)OC(=O)COCCCF 34a_100000759539_100011215430 [0,2,0,0,0,0|1,0,1]=4 4037 B11R0.2 CC(C)OC(=O)COCCCN 34a_100000182051_100011215430 [0,2,0,0,0,0|1,0,1]=4 4038 B11R0.2 CC(C)OC(=O)COCCON 34a_100000700252_100011215430 [0,2,0,0,0,0|2,0,0]=4 4039 B11R0.2 CC(C)OC(=O)CSCCC#N 62a_100011215226_100011215430 [0,2,0,0,0,0|1,0,1]=4 4040 B11R0.2 CC(C)OC(=O)CSCCC#N 62a_100011215430_100011215226 [0,2,0,0,0,0|1,0,1]=4 4041 B11R0.2 CC(C)OC(=O)CSCCCF 62a_100011215430_100011934791 [0,2,0,0,0,0|1,0,1]=4 4042 B11R0.2 CC(C)OC(=O)CSCCCF 62a_100011934791_100011215430 [0,2,0,0,0,0|1,0,1]=4 4043 B11R0.2 CC(C)OC(=O)CSCCCO 62a_100011215043_100011215430 [0,2,0,0,0,0|1,0,1]=4 4044 B11R0.2 CC(C)OC(=O)CSCCCO 62a_100011215430_100011215043 [0,2,0,0,0,0|1,0,1]=4 4045 B11R0.2 CC(C)OC(=O)OCSCC=O 62a_100000003507_200015260668 [0,2,0,0,0,0|2,0,0]=4 4046 B11R0.2 CC(C)OC(=O)OCSCC=O 62a_200015260668_100000003507 [0,2,0,0,0,0|2,0,0]=4 4047 B11R0.2 CC=CCNCC(=O)NC(C)C 2230a_100000168517_100000070051 [0,2,0,0,0,0|2,0,0]=4 4048 B11R0.2 CC=CCSCC(=O)NC(C)C 62a_100000070051_100000183996 [0,2,0,0,0,0|2,0,0]=4 4049 B11R0.2 CC=CCSCC(=O)NC(C)C 62a_100000183996_100000070051 [0,2,0,0,0,0|2,0,0]=4 4050 B11R0.2 CC=CCSCC(=O)OC(C)C 62a_100000070051_100011215430 [0,2,0,0,0,0|1,0,0]=3 4051 B11R0.2 CC=CCSCC(=O)OC(C)C 62a_100011215430_100000070051 [0,2,0,0,0,0|1,0,0]=3 4052 B11R0.2 CCCCNCC(=O)OC(C)C 2230a_100000102301_100011215430 [0,2,0,0,0,0|0,0,2]=4 4053 B11R0.2 CCCCNCC(=O)OC(C)C 7a_106832991798_100011215430 [0,2,0,0,0,0|0,0,2]=4 4054 B11R0.2 CCCCOCC(=O)OC(C)C 34a_100000210227_100011215430 [0,2,0,0,0,0|0,0,2]=4 4055 B11R0.2 CCCCOCC(=O)OC(C)C 7a_100000210227_100011215430 [0,2,0,0,0,0|0,0,2]=4 4056 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100000210211_100011215430 [0,2,0,0,0,0|0,0,2]=4 4057 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100011215430_100000210210 [0,2,0,0,0,0|0,0,2]=4 4058 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000210303_100000760027 [0,2,0,0,0,0|0,0,2]=4 4059 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000760027_100000210303 [0,2,0,0,0,0|0,0,2]=4 4060 B11R0.2 COCCNCC(=O)OC(C)C 2230a_100000209980_100011215430 [0,2,0,0,0,0|1,0,1]=4 4061 B11R0.2 COCCOCC(=O)OC(C)C 34a_100000210237_100011215430 [0,2,0,0,0,0|1,0,1]=4 4062 B11R0.2 COCCSCC(=O)OC(C)C 62a_100000233755_100011215430 [0,2,0,0,0,0|1,0,1]=4 4063 B11R0.2 COCCSCC(=O)OC(C)C 62a_100011215430_100000233755 [0,2,0,0,0,0|1,0,1]=4 4064 B11R0.2 COCSCCC(=O)OC(C)C 62a_100000760027_100000766300 [0,2,0,0,0,0|1,0,1]=4 4065 B11R0.2 COCSCCC(=O)OC(C)C 62a_100000766300_100000760027 [0,2,0,0,0,0|1,0,1]=4 4066 B11R0.2 CSCCNCC(=O)OC(C)C 2230a_100020590264_100011215430 [0,2,0,0,0,0|1,0,1]=4 4067 B11R0.2 CSCCOCC(=O)OC(C)C 34a_100000230434_100011215430 [0,2,0,0,0,0|1,0,1]=4 4068 B11R0.2 CSCCOCC(=O)OC(C)C 7a_100000230434_100011215430 [0,2,0,0,0,0|1,0,1]=4 4069 B11R0.2 CSCCSCC(=O)OC(C)C 62a_100000212216_100011215430 [0,2,0,0,0,0|1,0,1]=4 4070 B11R0.2 CSCCSCC(=O)OC(C)C 62a_100011215430_100000751147 [0,2,0,0,0,0|1,0,1]=4 4071 B11R0.2 CSCSCCC(=O)OC(C)C 62a_100000760027_100011218213 [0,2,0,0,0,0|1,0,1]=4 4072 B11R0.2 CSCSCCC(=O)OC(C)C 62a_100011218213_100000760027 [0,2,0,0,0,0|1,0,1]=4 4073 B11R0.4 C#CCCCNCC(=O)OCC 34a_100000718082_100000188475 [0,2,0,0,0,0|0,0,2]=4 4074 B11R0.4 C#CCCCOCC(=O)OCC 34a_100000215630_100000188475 [0,2,0,0,0,0|0,0,2]=4 4075 B11R0.4 C#CCCCOCC(=O)OCC 7a_100000215630_100000188475 [0,2,0,0,0,0|0,0,2]=4 4076 B11R0.4 C#CCCCSCC(=O)OCC 62a_100000188475_100011215417 [0,2,0,0,0,0|0,0,2]=4 4077 B11R0.4 C#CCCCSCC(=O)OCC 62a_100011215417_100000188475 [0,2,0,0,0,0|0,0,2]=4 4078 B11R0.4 C#CCCNCCC(=O)OCC 34a_100000755551_100000765890 [0,2,0,0,0,0|0,0,2]=4 4079 B11R0.4 C#CCCOCCC(=O)OCC 34a_100011215631_100000765890 [0,2,0,0,0,0|0,0,2]=4 4080 B11R0.4 C#CCCSCCC(=O)OCC 62a_100000688953_100000765890 [0,2,0,0,0,0|0,0,2]=4 4081 B11R0.4 C#CCCSCCC(=O)OCC 62a_100000765890_100000688953 [0,2,0,0,0,0|0,0,2]=4 4082 B11R0.4 C#CCCSCOC(=O)OCC 62a_100000688953_100000075025 [0,2,0,0,0,0|0,0,2]=4 4083 B11R0.4 C#CCNCCCC(=O)OCC 34a_100000212058_100009991533 [0,2,0,0,0,0|0,0,2]=4 4084 B11R0.4 C#CCOCCCC(=O)OCC 34a_100000210247_100009991533 [0,2,0,0,0,0|0,0,2]=4 4085 B11R0.4 C#CCOCCCC(=O)OCC 7a_100012001163_100000038162 [0,2,0,0,0,0|0,0,2]=4 4086 B11R0.4 C#CCOCCNC(=O)OCC 34a_100000158857_100000184674 [0,2,0,0,0,0|0,0,2]=4 4087 B11R0.4 C#CCSCCCC(=O)OCC 62a_100000038162_100009991533 [0,2,0,0,0,0|0,0,2]=4 4088 B11R0.4 C#CCSCCNC(=O)OCC 62a_100000038162_200011445536 [0,2,0,0,0,0|0,0,2]=4 4089 B11R0.4 C/C=C/CCOCC(=O)NCC 34a_100016278192_100000183381 [0,2,0,0,0,0|1,0,0]=3 4090 B11R0.4 C/C=C/CCOCC(=O)NCO 34a_100016278192_100000185155 [0,2,0,0,0,0|2,0,0]=4 4091 B11R0.4 C/C=C/CCOCC(=O)OCC 34a_100016278192_100000188475 [0,2,0,0,0,0|0,0,0]=2 4092 B11R0.4 C/C=C/CNCCC(=O)NCC 34a_100025743525_100102629194 [0,2,0,0,0,0|1,0,0]=3 4093 B11R0.4 C/C=C/COCCC(=O)OCC 34a_100016270725_100000765890 [0,2,0,0,0,0|0,0,0]=2 4094 B11R0.4 C/C=C/COCOC(=O)CCC 34a_100016270725_100000034017 [0,2,0,0,0,0|2,0,0]=4 4095 B11R0.4 C/C=C/CSCCC(=O)NCC 62a_100000737597_100102629194 [0,2,0,0,0,0|1,0,0]=3 4096 B11R0.4 C/C=C/CSCCC(=O)NCC 62a_100102629194_100000737597 [0,2,0,0,0,0|1,0,0]=3 4097 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100000765890_100102629194 [0,2,0,0,0,0|0,0,0]=2 4098 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100102629194_100000765890 [0,2,0,0,0,0|0,0,0]=2 4099 B11R0.4 C/C=C/CSCOC(=O)CCC 62a_100102629194_100000034017 [0,2,0,0,0,0|2,0,0]=4 4100 B11R0.4 C/C=C/CSCOC(=O)OCC 62a_100102629194_100000075025 [0,2,0,0,0,0|1,0,0]=3 4101 B11R0.4 C=CCCC=NNC(=O)CCC 4a_100000189770_100011216789 [0,2,0,0,0,0|1,0,1]=4 4102 B11R0.4 C=CCCCCCC(=O)C#CC 1458a_100000763181_100000700193 [0,2,0,0,0,0|1,0,1]=4 4103 B11R0.4 C=CCCCCCC(=O)C=CC 1458a_100000210699_100000700193 [0,2,0,0,0,0|1,0,1]=4 4104 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [0,2,0,0,0,0|1,0,0]=3 4105 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [0,2,0,0,0,0|1,0,0]=3 4106 B11R0.4 C=CCCCCCC(=O)CCF 1458a_100011934241_100011217306 [0,2,0,0,0,0|2,0,0]=4 4107 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011216618_100000700193 [0,2,0,0,0,0|2,0,0]=4 4108 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011934241_100000211926 [0,2,0,0,0,0|2,0,0]=4 4109 B11R0.4 C=CCCCCCC(=O)COC 1458a_100000210968_100000700193 [0,2,0,0,0,0|2,0,0]=4 4110 B11R0.4 C=CCCCCCC(=O)CSC 1458a_100000184570_100000700193 [0,2,0,0,0,0|2,0,0]=4 4111 B11R0.4 C=CCCCCCC(=O)NCC 11a_100015525214_100011934241 [0,2,0,0,0,0|1,0,0]=3 4112 B11R0.4 C=CCCCCCC(=O)NCC 240690a_100015525214_100011934241 [0,2,0,0,0,0|1,0,0]=3 4113 B11R0.4 C=CCCCCCC(=O)NCC 527a_100015525214_100011934241 [0,2,0,0,0,0|1,0,0]=3 4114 B11R0.4 C=CCCCCCC(=O)NNC 22a_100016993582_100011934241 [0,2,0,0,0,0|2,0,0]=4 4115 B11R0.4 C=CCCCCNC(=O)C=CC 11a_100000703577_100000210699 [0,2,0,0,0,0|1,0,1]=4 4116 B11R0.4 C=CCCCCNC(=O)C=CC 1626a_100000703577_100000210699 [0,2,0,0,0,0|1,0,1]=4 4117 B11R0.4 C=CCCCCNC(=O)C=CC 240690a_100000703577_100000210699 [0,2,0,0,0,0|1,0,1]=4 4118 B11R0.4 C=CCCCCNC(=O)CCC 11a_100000703577_100000211992 [0,2,0,0,0,0|1,0,0]=3 4119 B11R0.4 C=CCCCCNC(=O)CCC 1626a_100000703577_100000211992 [0,2,0,0,0,0|1,0,0]=3 4120 B11R0.4 C=CCCCCNC(=O)CCC 240690a_100000703577_100000211992 [0,2,0,0,0,0|1,0,0]=3 4121 B11R0.4 C=CCCCCNC(=O)CCC 527a_100000703577_100000211992 [0,2,0,0,0,0|1,0,0]=3 4122 B11R0.4 C=CCCCCNC(=O)CCO 240690a_100000703577_100011216618 [0,2,0,0,0,0|2,0,0]=4 4123 B11R0.4 C=CCCCCNC(=O)COC 11a_100000703577_100000210968 [0,2,0,0,0,0|2,0,0]=4 4124 B11R0.4 C=CCCCCNC(=O)COC 1626a_100000703577_100000210968 [0,2,0,0,0,0|2,0,0]=4 4125 B11R0.4 C=CCCCCNC(=O)COC 240690a_100000703577_100000210968 [0,2,0,0,0,0|2,0,0]=4 4126 B11R0.4 C=CCCCCNC(=O)COC 527a_100000703577_100000210968 [0,2,0,0,0,0|2,0,0]=4 4127 B11R0.4 C=CCCCCNC(=O)CSC 11a_100000703577_100000184570 [0,2,0,0,0,0|2,0,0]=4 4128 B11R0.4 C=CCCCCNC(=O)CSC 1626a_100000703577_100000184570 [0,2,0,0,0,0|2,0,0]=4 4129 B11R0.4 C=CCCCCNC(=O)CSC 240690a_100000703577_100000184570 [0,2,0,0,0,0|2,0,0]=4 4130 B11R0.4 C=CCCCCNC(=O)CSC 527a_100000703577_100000184570 [0,2,0,0,0,0|2,0,0]=4 4131 B11R0.4 C=CCCCCNC(=O)NCC 2708a_100000703577_100015525214 [0,2,0,0,0,0|1,0,0]=3 4132 B11R0.4 C=CCCCCNC(=O)NCC 2708a_100015525214_100000703577 [0,2,0,0,0,0|1,0,0]=3 4133 B11R0.4 C=CCCCCNC(=O)NCC 273464a_100000703577_100015525214 [0,2,0,0,0,0|1,0,0]=3 4134 B11R0.4 C=CCCCCNC(=O)NCC 273464a_100015525214_100000703577 [0,2,0,0,0,0|1,0,0]=3 4135 B11R0.4 C=CCCCCNC(=O)NCC 512a_100000703577_100015525214 [0,2,0,0,0,0|1,0,0]=3 4136 B11R0.4 C=CCCCCNC(=O)NCC 512a_100015525214_100000703577 [0,2,0,0,0,0|1,0,0]=3 4137 B11R0.4 C=CCCCCNC(=O)NNC 273464a_100000703577_100016993582 [0,2,0,0,0,0|2,0,0]=4 4138 B11R0.4 C=CCCCCNC(=O)NNC 512a_100000703577_100016993582 [0,2,0,0,0,0|2,0,0]=4 4139 B11R0.4 C=CCCCCNC(=O)NNC 512a_100016993582_100000703577 [0,2,0,0,0,0|2,0,0]=4 4140 B11R0.4 C=CCCCNCC(=O)CCC 2230a_100000700776_100000747444 [0,2,0,0,0,0|1,0,0]=3 4141 B11R0.4 C=CCCCNCC(=O)NCC 2230a_100000700776_100000183381 [0,2,0,0,0,0|1,0,0]=3 4142 B11R0.4 C=CCCCNCC(=O)NCC 2230a_100016988866_100011713584 [0,2,0,0,0,0|1,0,0]=3 4143 B11R0.4 C=CCCCNCC(=O)NCC 34a_100000700776_100000183381 [0,2,0,0,0,0|1,0,0]=3 4144 B11R0.4 C=CCCCNCC(=O)NCO 2230a_100000700776_100000185155 [0,2,0,0,0,0|2,0,0]=4 4145 B11R0.4 C=CCCCNCC(=O)NCO 34a_100000700776_100000185155 [0,2,0,0,0,0|2,0,0]=4 4146 B11R0.4 C=CCCCNCC(=O)OC=C 2230a_100000700776_100000036128 [0,2,0,0,0,0|0,0,2]=4 4147 B11R0.4 C=CCCCNCC(=O)OC=C 34a_100000700776_100000036128 [0,2,0,0,0,0|0,0,2]=4 4148 B11R0.4 C=CCCCNCC(=O)OCC 2230a_100000700776_100000188475 [0,2,0,0,0,0|0,0,0]=2 4149 B11R0.4 C=CCCCNCC(=O)OCC 34a_100000700776_100000188475 [0,2,0,0,0,0|0,0,0]=2 4150 B11R0.4 C=CCCCOCC(=O)CCC 7a_100000758997_100000747444 [0,2,0,0,0,0|1,0,0]=3 4151 B11R0.4 C=CCCCOCC(=O)NCC 34a_100000758997_100000183381 [0,2,0,0,0,0|1,0,0]=3 4152 B11R0.4 C=CCCCOCC(=O)NCC 7a_100000758997_100000183381 [0,2,0,0,0,0|1,0,0]=3 4153 B11R0.4 C=CCCCOCC(=O)NCO 34a_100000758997_100000185155 [0,2,0,0,0,0|2,0,0]=4 4154 B11R0.4 C=CCCCOCC(=O)NCO 7a_100000758997_100000185155 [0,2,0,0,0,0|2,0,0]=4 4155 B11R0.4 C=CCCCOCC(=O)OC=C 34a_100000758997_100000036128 [0,2,0,0,0,0|0,0,2]=4 4156 B11R0.4 C=CCCCOCC(=O)OCC 34a_100000758997_100000188475 [0,2,0,0,0,0|0,0,0]=2 4157 B11R0.4 C=CCCCOCC(=O)OCC 7a_100000758997_100000188475 [0,2,0,0,0,0|0,0,0]=2 4158 B11R0.4 C=CCCCSCC(=O)CCC 62a_100000747444_100000757094 [0,2,0,0,0,0|1,0,0]=3 4159 B11R0.4 C=CCCCSCC(=O)CCC 62a_100011713584_100000747444 [0,2,0,0,0,0|1,0,0]=3 4160 B11R0.4 C=CCCCSCC(=O)NCC 62a_100000183381_100000757094 [0,2,0,0,0,0|1,0,0]=3 4161 B11R0.4 C=CCCCSCC(=O)NCC 62a_100011713584_100000183381 [0,2,0,0,0,0|1,0,0]=3 4162 B11R0.4 C=CCCCSCC(=O)NCO 62a_100000185155_100000757094 [0,2,0,0,0,0|2,0,0]=4 4163 B11R0.4 C=CCCCSCC(=O)NCO 62a_100011713584_100000185155 [0,2,0,0,0,0|2,0,0]=4 4164 B11R0.4 C=CCCCSCC(=O)OC=C 62a_100000036128_100000757094 [0,2,0,0,0,0|0,0,2]=4 4165 B11R0.4 C=CCCCSCC(=O)OC=C 62a_100011713584_100000036128 [0,2,0,0,0,0|0,0,2]=4 4166 B11R0.4 C=CCCCSCC(=O)OCC 62a_100000188475_100000757094 [0,2,0,0,0,0|0,0,0]=2 4167 B11R0.4 C=CCCCSCC(=O)OCC 62a_100011713584_100000188475 [0,2,0,0,0,0|0,0,0]=2 4168 B11R0.4 C=CCCNCCC(=O)NCC 2230a_100015191253_100000737597 [0,2,0,0,0,0|1,0,0]=3 4169 B11R0.4 C=CCCNCCC(=O)NCC 34a_100025743525_100000754431 [0,2,0,0,0,0|1,0,0]=3 4170 B11R0.4 C=CCCNCCC(=O)OCC 2230a_100015191253_100011206558 [0,2,0,0,0,0|0,0,0]=2 4171 B11R0.4 C=CCCNCOC(=O)CCC 2230a_100015191253_100000034017 [0,2,0,0,0,0|1,0,0]=3 4172 B11R0.4 C=CCCOCCC(=O)OCC 34a_100011205117_100000765890 [0,2,0,0,0,0|0,0,0]=2 4173 B11R0.4 C=CCCOCOC(=O)CCC 34a_100011205117_100000034017 [0,2,0,0,0,0|1,0,0]=3 4174 B11R0.4 C=CCCSCCC(=O)NCC 62a_100000737597_100000754431 [0,2,0,0,0,0|1,0,0]=3 4175 B11R0.4 C=CCCSCCC(=O)NCC 62a_100000754431_100000737597 [0,2,0,0,0,0|1,0,0]=3 4176 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000754431_100000765890 [0,2,0,0,0,0|0,0,0]=2 4177 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000765890_100000754431 [0,2,0,0,0,0|0,0,0]=2 4178 B11R0.4 C=CCCSCOC(=O)CCC 62a_100000754431_100000034017 [0,2,0,0,0,0|1,0,0]=3 4179 B11R0.4 C=CCCSCOC(=O)OCC 62a_100000754431_100000075025 [0,2,0,0,0,0|0,0,0]=2 4180 B11R0.4 C=CCNC/C=C/C(=O)OCC 2230a_100020586998_100016267167 [0,2,0,0,0,0|0,0,1]=3 4181 B11R0.4 C=CCNCCCC(=O)OCC 2230a_100020586998_100009991533 [0,2,0,0,0,0|0,0,0]=2 4182 B11R0.4 C=CCOC/C=C/C(=O)OCC 34a_200000210373_100016267167 [0,2,0,0,0,0|0,0,1]=3 4183 B11R0.4 C=CCOCCCC(=O)OCC 34a_200000210373_100009991533 [0,2,0,0,0,0|0,0,0]=2 4184 B11R0.4 C=CCOCCCC(=O)OCC 7a_100012001163_100015514636 [0,2,0,0,0,0|0,0,0]=2 4185 B11R0.4 C=CCOCCNC(=O)OCC 34a_100000158857_100015514636 [0,2,0,0,0,0|0,0,0]=2 4186 B11R0.4 C=CCSC/C=C/C(=O)OCC 62a_100000210623_100016267167 [0,2,0,0,0,0|0,0,1]=3 4187 B11R0.4 C=CCSC/C=C/C(=O)OCC 62a_100016267167_100000210623 [0,2,0,0,0,0|0,0,1]=3 4188 B11R0.4 C=CCSCCCC(=O)OCC 62a_100000210623_100009991533 [0,2,0,0,0,0|0,0,0]=2 4189 B11R0.4 C=CCSCCCC(=O)OCC 62a_100009991533_100000210623 [0,2,0,0,0,0|0,0,0]=2 4190 B11R0.4 C=CCSCCNC(=O)OCC 62a_100000210623_200011445536 [0,2,0,0,0,0|0,0,0]=2 4191 B11R0.4 C=COC(=O)COCC/C=C/C 34a_100016278192_100000036128 [0,2,0,0,0,0|0,0,2]=4 4192 B11R0.4 C=COCCCNC(=O)C=CC 11a_100000210767_100000210699 [0,2,0,0,0,0|1,0,1]=4 4193 B11R0.4 C=COCCCNC(=O)C=CC 1626a_100000210767_100000210699 [0,2,0,0,0,0|1,0,1]=4 4194 B11R0.4 C=COCCCNC(=O)C=CC 240690a_100000210767_100000210699 [0,2,0,0,0,0|1,0,1]=4 4195 B11R0.4 C=COCCCNC(=O)CCC 11a_100000210767_100000211992 [0,2,0,0,0,0|1,0,0]=3 4196 B11R0.4 C=COCCCNC(=O)CCC 1626a_100000210767_100000211992 [0,2,0,0,0,0|1,0,0]=3 4197 B11R0.4 C=COCCCNC(=O)CCC 240690a_100000210767_100000211992 [0,2,0,0,0,0|1,0,0]=3 4198 B11R0.4 C=COCCCNC(=O)CCC 527a_100000210767_100000211992 [0,2,0,0,0,0|1,0,0]=3 4199 B11R0.4 C=COCCCNC(=O)CCO 240690a_100000210767_100011216618 [0,2,0,0,0,0|2,0,0]=4 4200 B11R0.4 C=COCCCNC(=O)COC 11a_100000210767_100000210968 [0,2,0,0,0,0|2,0,0]=4 4201 B11R0.4 C=COCCCNC(=O)COC 1626a_100000210767_100000210968 [0,2,0,0,0,0|2,0,0]=4 4202 B11R0.4 C=COCCCNC(=O)COC 240690a_100000210767_100000210968 [0,2,0,0,0,0|2,0,0]=4 4203 B11R0.4 C=COCCCNC(=O)COC 527a_100000210767_100000210968 [0,2,0,0,0,0|2,0,0]=4 4204 B11R0.4 C=COCCCNC(=O)CSC 11a_100000210767_100000184570 [0,2,0,0,0,0|2,0,0]=4 4205 B11R0.4 C=COCCCNC(=O)CSC 1626a_100000210767_100000184570 [0,2,0,0,0,0|2,0,0]=4 4206 B11R0.4 C=COCCCNC(=O)CSC 240690a_100000210767_100000184570 [0,2,0,0,0,0|2,0,0]=4 4207 B11R0.4 C=COCCCNC(=O)CSC 527a_100000210767_100000184570 [0,2,0,0,0,0|2,0,0]=4 4208 B11R0.4 C=COCCCNC(=O)NCC 2708a_100000210767_100015525214 [0,2,0,0,0,0|1,0,0]=3 4209 B11R0.4 C=COCCCNC(=O)NCC 2708a_100015525214_100000210767 [0,2,0,0,0,0|1,0,0]=3 4210 B11R0.4 C=COCCCNC(=O)NCC 273464a_100000210767_100015525214 [0,2,0,0,0,0|1,0,0]=3 4211 B11R0.4 C=COCCCNC(=O)NCC 273464a_100015525214_100000210767 [0,2,0,0,0,0|1,0,0]=3 4212 B11R0.4 C=COCCCNC(=O)NCC 512a_100000210767_100015525214 [0,2,0,0,0,0|1,0,0]=3 4213 B11R0.4 C=COCCCNC(=O)NCC 512a_100015525214_100000210767 [0,2,0,0,0,0|1,0,0]=3 4214 B11R0.4 C=COCCCNC(=O)NNC 273464a_100000210767_100016993582 [0,2,0,0,0,0|2,0,0]=4 4215 B11R0.4 C=COCCCNC(=O)NNC 512a_100000210767_100016993582 [0,2,0,0,0,0|2,0,0]=4 4216 B11R0.4 C=COCCCNC(=O)NNC 512a_100016993582_100000210767 [0,2,0,0,0,0|2,0,0]=4 4217 B11R0.4 C=COCCNCC(=O)NCC 2230a_100016988866_100000039644 [0,2,0,0,0,0|1,0,0]=3 4218 B11R0.4 C=COCCOCC(=O)NCC 34a_100000033082_100000183381 [0,2,0,0,0,0|1,0,0]=3 4219 B11R0.4 C=COCCOCC(=O)NCO 34a_100000033082_100000185155 [0,2,0,0,0,0|2,0,0]=4 4220 B11R0.4 C=COCCOCC(=O)OC=C 34a_100000033082_100000036128 [0,2,0,0,0,0|0,0,2]=4 4221 B11R0.4 C=COCCOCC(=O)OCC 34a_100000033082_100000188475 [0,2,0,0,0,0|0,0,0]=2 4222 B11R0.4 C=COCCSCC(=O)CCC 62a_100000039644_100000747444 [0,2,0,0,0,0|1,0,0]=3 4223 B11R0.4 C=COCCSCC(=O)CCC 62a_100000747444_100000039644 [0,2,0,0,0,0|1,0,0]=3 4224 B11R0.4 C=COCCSCC(=O)NCC 62a_100000039644_100000183381 [0,2,0,0,0,0|1,0,0]=3 4225 B11R0.4 C=COCCSCC(=O)NCC 62a_100000183381_100000039644 [0,2,0,0,0,0|1,0,0]=3 4226 B11R0.4 C=COCCSCC(=O)NCO 62a_100000039644_100000185155 [0,2,0,0,0,0|2,0,0]=4 4227 B11R0.4 C=COCCSCC(=O)NCO 62a_100000185155_100000039644 [0,2,0,0,0,0|2,0,0]=4 4228 B11R0.4 C=COCCSCC(=O)OC=C 62a_100000036128_100000039644 [0,2,0,0,0,0|0,0,2]=4 4229 B11R0.4 C=COCCSCC(=O)OC=C 62a_100000039644_100000036128 [0,2,0,0,0,0|0,0,2]=4 4230 B11R0.4 C=COCCSCC(=O)OCC 62a_100000039644_100000188475 [0,2,0,0,0,0|0,0,0]=2 4231 B11R0.4 C=COCCSCC(=O)OCC 62a_100000188475_100000039644 [0,2,0,0,0,0|0,0,0]=2 4232 B11R0.4 CC#CCCOCC(=O)OCC 34a_100000750427_100000188475 [0,2,0,0,0,0|0,0,2]=4 4233 B11R0.4 CC#CCNCCC(=O)OCC 2230a_100000685387_100011206558 [0,2,0,0,0,0|0,0,2]=4 4234 B11R0.4 CC#CCNCCC(=O)OCC 34a_100000685387_100000765890 [0,2,0,0,0,0|0,0,2]=4 4235 B11R0.4 CC#CCOCCC(=O)OCC 34a_100000761923_100000765890 [0,2,0,0,0,0|0,0,2]=4 4236 B11R0.4 CC#CCSCCC(=O)OCC 62a_100000748600_100000765890 [0,2,0,0,0,0|0,0,2]=4 4237 B11R0.4 CC#CCSCCC(=O)OCC 62a_100000765890_100000748600 [0,2,0,0,0,0|0,0,2]=4 4238 B11R0.4 CC/C=C\CNCC(=O)NCC 2230a_100016988866_100103147603 [0,2,0,0,0,0|2,0,0]=4 4239 B11R0.4 CC/C=C\COCC(=O)NCC 34a_100016268518_100000183381 [0,2,0,0,0,0|2,0,0]=4 4240 B11R0.4 CC/C=C\COCC(=O)OCC 34a_100016268518_100000188475 [0,2,0,0,0,0|1,0,0]=3 4241 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100000747444_100103147603 [0,2,0,0,0,0|2,0,0]=4 4242 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100103147603_100000747444 [0,2,0,0,0,0|2,0,0]=4 4243 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100000183381_100103147603 [0,2,0,0,0,0|2,0,0]=4 4244 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100103147603_100000183381 [0,2,0,0,0,0|2,0,0]=4 4245 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100000188475_100103147603 [0,2,0,0,0,0|1,0,0]=3 4246 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100103147603_100000188475 [0,2,0,0,0,0|1,0,0]=3 4247 B11R0.4 CC=CCNCCC(=O)NCC 34a_100025743525_100000070051 [0,2,0,0,0,0|1,0,0]=3 4248 B11R0.4 CC=CCSCCC(=O)NCC 62a_100000070051_100000737597 [0,2,0,0,0,0|1,0,0]=3 4249 B11R0.4 CC=CCSCCC(=O)NCC 62a_100000737597_100000070051 [0,2,0,0,0,0|1,0,0]=3 4250 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000070051_100000765890 [0,2,0,0,0,0|0,0,0]=2 4251 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000765890_100000070051 [0,2,0,0,0,0|0,0,0]=2 4252 B11R0.4 CC=CCSCOC(=O)CCC 62a_100000070051_100000034017 [0,2,0,0,0,0|2,0,0]=4 4253 B11R0.4 CC=CCSCOC(=O)OCC 62a_100000070051_100000075025 [0,2,0,0,0,0|1,0,0]=3 4254 B11R0.4 CCCC(=O)CSCCCC=O 62a_100000747444_200011292268 [0,2,0,0,0,0|1,0,1]=4 4255 B11R0.4 CCCC(=O)CSCCCC=O 62a_200011292268_100000747444 [0,2,0,0,0,0|1,0,1]=4 4256 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [0,2,0,0,0,0|0,0,2]=4 4257 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [0,2,0,0,0,0|0,0,2]=4 4258 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [0,2,0,0,0,0|0,0,2]=4 4259 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [0,2,0,0,0,0|0,0,2]=4 4260 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [0,2,0,0,0,0|0,0,2]=4 4261 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [0,2,0,0,0,0|0,0,2]=4 4262 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [0,2,0,0,0,0|0,0,2]=4 4263 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [0,2,0,0,0,0|0,0,2]=4 4264 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [0,2,0,0,0,0|0,0,2]=4 4265 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [0,2,0,0,0,0|0,0,2]=4 4266 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [0,2,0,0,0,0|0,0,2]=4 4267 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [0,2,0,0,0,0|0,0,2]=4 4268 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [0,2,0,0,0,0|0,0,2]=4 4269 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [0,2,0,0,0,0|0,0,2]=4 4270 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [0,2,0,0,0,0|0,0,2]=4 4271 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [0,2,0,0,0,0|0,0,2]=4 4272 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [0,2,0,0,0,0|0,0,2]=4 4273 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [0,2,0,0,0,0|0,0,2]=4 4274 B11R0.4 CCNC(=O)CNCCCC=O 2230a_100016988866_200011292268 [0,2,0,0,0,0|1,0,1]=4 4275 B11R0.4 CCNC(=O)CSCCCC=O 62a_100000183381_200011292268 [0,2,0,0,0,0|1,0,1]=4 4276 B11R0.4 CCNC(=O)CSCCCC=O 62a_200011292268_100000183381 [0,2,0,0,0,0|1,0,1]=4 4277 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [0,2,0,0,0,0|0,0,2]=4 4278 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [0,2,0,0,0,0|0,0,2]=4 4279 B11R0.4 CCOC(=O)/C=C/CSCC=O 62a_100016267167_200015260668 [0,2,0,0,0,0|1,0,1]=4 4280 B11R0.4 CCOC(=O)/C=C/CSCC=O 62a_200015260668_100016267167 [0,2,0,0,0,0|1,0,1]=4 4281 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [0,2,0,0,0,0|0,0,2]=4 4282 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [0,2,0,0,0,0|0,0,2]=4 4283 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [0,2,0,0,0,0|0,0,2]=4 4284 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [0,2,0,0,0,0|0,0,2]=4 4285 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [0,2,0,0,0,0|0,0,2]=4 4286 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [0,2,0,0,0,0|0,0,2]=4 4287 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [0,2,0,0,0,0|0,0,2]=4 4288 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [0,2,0,0,0,0|0,0,2]=4 4289 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [0,2,0,0,0,0|0,0,2]=4 4290 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [0,2,0,0,0,0|0,0,2]=4 4291 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [0,2,0,0,0,0|0,0,2]=4 4292 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [0,2,0,0,0,0|0,0,2]=4 4293 B11R0.4 CCOC(=O)CCCCSCF 62a_100000750268_100015361967 [0,2,0,0,0,0|0,0,2]=4 4294 B11R0.4 CCOC(=O)CCCCSCF 62a_100015361967_100000750268 [0,2,0,0,0,0|0,0,2]=4 4295 B11R0.4 CCOC(=O)CCCNCCF 34a_100000724931_100009991533 [0,2,0,0,0,0|0,0,2]=4 4296 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [0,2,0,0,0,0|0,0,2]=4 4297 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [0,2,0,0,0,0|0,0,2]=4 4298 B11R0.4 CCOC(=O)CCCOCC#N 7a_100012001163_100011215382 [0,2,0,0,0,0|0,0,2]=4 4299 B11R0.4 CCOC(=O)CCCOCC=O 7a_100012001163_200015260668 [0,2,0,0,0,0|0,0,1]=3 4300 B11R0.4 CCOC(=O)CCCOCCBr 34a_100000211926_100009991533 [0,2,0,0,0,0|0,0,2]=4 4301 B11R0.4 CCOC(=O)CCCOCCF 7a_100012001163_100011217306 [0,2,0,0,0,0|0,0,2]=4 4302 B11R0.4 CCOC(=O)CCCOCCN 34a_100000210304_100009991533 [0,2,0,0,0,0|0,0,2]=4 4303 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [0,2,0,0,0,0|0,0,2]=4 4304 B11R0.4 CCOC(=O)CCCSCC#N 62a_100009991533_100011215382 [0,2,0,0,0,0|0,0,2]=4 4305 B11R0.4 CCOC(=O)CCCSCC#N 62a_100011215382_100009991533 [0,2,0,0,0,0|0,0,2]=4 4306 B11R0.4 CCOC(=O)CCCSCC=O 62a_100009991533_200015260668 [0,2,0,0,0,0|0,0,1]=3 4307 B11R0.4 CCOC(=O)CCCSCC=O 62a_200015260668_100009991533 [0,2,0,0,0,0|0,0,1]=3 4308 B11R0.4 CCOC(=O)CCCSCCF 62a_100009991533_100011217306 [0,2,0,0,0,0|0,0,2]=4 4309 B11R0.4 CCOC(=O)CCCSCCF 62a_100011217306_100009991533 [0,2,0,0,0,0|0,0,2]=4 4310 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [0,2,0,0,0,0|0,0,2]=4 4311 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [0,2,0,0,0,0|0,0,2]=4 4312 B11R0.4 CCOC(=O)CCCSCOC 62a_100000766300_100009991533 [0,2,0,0,0,0|0,0,2]=4 4313 B11R0.4 CCOC(=O)CCCSCOC 62a_100009991533_100000766300 [0,2,0,0,0,0|0,0,2]=4 4314 B11R0.4 CCOC(=O)CCCSCSC 62a_100009991533_100011218213 [0,2,0,0,0,0|0,0,2]=4 4315 B11R0.4 CCOC(=O)CCCSCSC 62a_100011218213_100009991533 [0,2,0,0,0,0|0,0,2]=4 4316 B11R0.4 CCOC(=O)CCNCCCF 2230a_100015189416_100011206558 [0,2,0,0,0,0|0,0,2]=4 4317 B11R0.4 CCOC(=O)CCNCCCF 34a_100015189416_100000765890 [0,2,0,0,0,0|0,0,2]=4 4318 B11R0.4 CCOC(=O)CCNCCOC 2230a_100000209980_100011206558 [0,2,0,0,0,0|0,0,2]=4 4319 B11R0.4 CCOC(=O)CCNCCSC 2230a_100020590264_100011206558 [0,2,0,0,0,0|0,0,2]=4 4320 B11R0.4 CCOC(=O)CCOCCCBr 34a_100011217188_100000765890 [0,2,0,0,0,0|0,0,2]=4 4321 B11R0.4 CCOC(=O)CCOCCCCl 34a_100000230001_100000765890 [0,2,0,0,0,0|0,0,2]=4 4322 B11R0.4 CCOC(=O)CCOCCCF 34a_100000759539_100000765890 [0,2,0,0,0,0|0,0,2]=4 4323 B11R0.4 CCOC(=O)CCOCCCN 34a_100000182051_100000765890 [0,2,0,0,0,0|0,0,2]=4 4324 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [0,2,0,0,0,0|0,0,2]=4 4325 B11R0.4 CCOC(=O)CCOCCON 34a_100000700252_100000765890 [0,2,0,0,0,0|1,0,1]=4 4326 B11R0.4 CCOC(=O)CCOCCSC 34a_100000230434_100000765890 [0,2,0,0,0,0|0,0,2]=4 4327 B11R0.4 CCOC(=O)CCOCCSC 7a_100000230434_100011206558 [0,2,0,0,0,0|0,0,2]=4 4328 B11R0.4 CCOC(=O)CCSCCC#N 62a_100000765890_100011215226 [0,2,0,0,0,0|0,0,2]=4 4329 B11R0.4 CCOC(=O)CCSCCC#N 62a_100011215226_100000765890 [0,2,0,0,0,0|0,0,2]=4 4330 B11R0.4 CCOC(=O)CCSCCCF 62a_100000765890_100011934791 [0,2,0,0,0,0|0,0,2]=4 4331 B11R0.4 CCOC(=O)CCSCCCF 62a_100011934791_100000765890 [0,2,0,0,0,0|0,0,2]=4 4332 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [0,2,0,0,0,0|0,0,2]=4 4333 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [0,2,0,0,0,0|0,0,2]=4 4334 B11R0.4 CCOC(=O)CCSCCOC 62a_100000233755_100000765890 [0,2,0,0,0,0|0,0,2]=4 4335 B11R0.4 CCOC(=O)CCSCCOC 62a_100000765890_100000233755 [0,2,0,0,0,0|0,0,2]=4 4336 B11R0.4 CCOC(=O)CCSCCSC 62a_100000212216_100000765890 [0,2,0,0,0,0|0,0,2]=4 4337 B11R0.4 CCOC(=O)CCSCCSC 62a_100000765890_100000751147 [0,2,0,0,0,0|0,0,2]=4 4338 B11R0.4 CCOC(=O)CCSCSC#N 62a_100000211825_100000765890 [0,2,0,0,0,0|1,0,1]=4 4339 B11R0.4 CCOC(=O)CCSCSC#N 62a_100000765890_100000211825 [0,2,0,0,0,0|1,0,1]=4 4340 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [0,2,0,0,0,0|0,0,2]=4 4341 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [0,2,0,0,0,0|0,0,2]=4 4342 B11R0.4 CCOC(=O)CNCCCOC 34a_100150723488_100000188475 [0,2,0,0,0,0|0,0,2]=4 4343 B11R0.4 CCOC(=O)CNCCCSC 2230a_100000749238_100000188475 [0,2,0,0,0,0|0,0,2]=4 4344 B11R0.4 CCOC(=O)CNCCSCC 2230a_100000106463_100000188475 [0,2,0,0,0,0|0,0,2]=4 4345 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [0,2,0,0,0,0|0,0,2]=4 4346 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [0,2,0,0,0,0|0,0,2]=4 4347 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [0,2,0,0,0,0|0,0,2]=4 4348 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [0,2,0,0,0,0|0,0,2]=4 4349 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [0,2,0,0,0,0|0,0,2]=4 4350 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [0,2,0,0,0,0|0,0,2]=4 4351 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [0,2,0,0,0,0|0,0,2]=4 4352 B11R0.4 CCOC(=O)COCCCNC 2230a_106832991635_100009893628 [0,2,0,0,0,0|0,0,2]=4 4353 B11R0.4 CCOC(=O)COCCCNC 34a_100000213112_100000188475 [0,2,0,0,0,0|0,0,2]=4 4354 B11R0.4 CCOC(=O)COCCCNC 34a_100102657272_100009893628 [0,2,0,0,0,0|0,0,2]=4 4355 B11R0.4 CCOC(=O)COCCCNC 7a_106832991635_100009893628 [0,2,0,0,0,0|0,0,2]=4 4356 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [0,2,0,0,0,0|0,0,2]=4 4357 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [0,2,0,0,0,0|0,0,2]=4 4358 B11R0.4 CCOC(=O)COCCCSC 34a_100000690336_100000188475 [0,2,0,0,0,0|0,0,2]=4 4359 B11R0.4 CCOC(=O)COCCCSC 62a_100009893628_200000210301 [0,2,0,0,0,0|0,0,2]=4 4360 B11R0.4 CCOC(=O)COCCCSC 62a_200000210301_100009893628 [0,2,0,0,0,0|0,0,2]=4 4361 B11R0.4 CCOC(=O)COCCCSC 7a_100000690336_100000188475 [0,2,0,0,0,0|0,0,2]=4 4362 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_100009893628_200025704644 [0,2,0,0,0,0|0,0,2]=4 4363 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_200025704644_100009893628 [0,2,0,0,0,0|0,0,2]=4 4364 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [0,2,0,0,0,0|0,0,2]=4 4365 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [0,2,0,0,0,0|0,0,2]=4 4366 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [0,2,0,0,0,0|0,0,2]=4 4367 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [0,2,0,0,0,0|0,0,2]=4 4368 B11R0.4 CCOC(=O)COCCSCF 62a_100000088970_100015361967 [0,2,0,0,0,0|1,0,1]=4 4369 B11R0.4 CCOC(=O)COCCSCF 62a_100015361967_100000088970 [0,2,0,0,0,0|1,0,1]=4 4370 B11R0.4 CCOC(=O)CSCCCC#N 62a_100000188475_100000687738 [0,2,0,0,0,0|0,0,2]=4 4371 B11R0.4 CCOC(=O)CSCCCC#N 62a_100000687738_100000188475 [0,2,0,0,0,0|0,0,2]=4 4372 B11R0.4 CCOC(=O)CSCCCC=O 62a_100000188475_200011292268 [0,2,0,0,0,0|0,0,1]=3 4373 B11R0.4 CCOC(=O)CSCCCC=O 62a_200011292268_100000188475 [0,2,0,0,0,0|0,0,1]=3 4374 B11R0.4 CCOC(=O)CSCCCCF 62a_100000188475_100000729493 [0,2,0,0,0,0|0,0,2]=4 4375 B11R0.4 CCOC(=O)CSCCCCF 62a_100000729493_100000188475 [0,2,0,0,0,0|0,0,2]=4 4376 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [0,2,0,0,0,0|0,0,2]=4 4377 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [0,2,0,0,0,0|0,0,2]=4 4378 B11R0.4 CCOC(=O)CSCCCOC 62a_100000188475_100000709357 [0,2,0,0,0,0|0,0,2]=4 4379 B11R0.4 CCOC(=O)CSCCCOC 62a_100000709357_100000188475 [0,2,0,0,0,0|0,0,2]=4 4380 B11R0.4 CCOC(=O)CSCCOCF 7a_200000230590_100015361967 [0,2,0,0,0,0|1,0,1]=4 4381 B11R0.4 CCOC(=O)CSCCSC#N 62a_100000034367_100000188475 [0,2,0,0,0,0|1,0,1]=4 4382 B11R0.4 CCOC(=O)CSCCSC#N 62a_100000188475_100000034367 [0,2,0,0,0,0|1,0,1]=4 4383 B11R0.4 CCOC(=O)CSCCSCC 62a_100000188475_100000757381 [0,2,0,0,0,0|0,0,2]=4 4384 B11R0.4 CCOC(=O)CSCCSCC 62a_100000757381_100000188475 [0,2,0,0,0,0|0,0,2]=4 4385 B11R0.4 CCOC(=O)NCCOCC=O 34a_100000158857_200009817547 [0,2,0,0,0,0|1,0,0]=3 4386 B11R0.4 CCOC(=O)NCCOCCF 34a_100000158857_100011217306 [0,2,0,0,0,0|1,0,1]=4 4387 B11R0.4 CCOC(=O)NCCOCCO 34a_100000158857_100000211926 [0,2,0,0,0,0|1,0,1]=4 4388 B11R0.4 CCOC(=O)NCCOCSC 34a_100000158857_100011218213 [0,2,0,0,0,0|1,0,1]=4 4389 B11R0.4 CCOC(=O)NCCSCC#N 62a_100011215382_200011445536 [0,2,0,0,0,0|1,0,1]=4 4390 B11R0.4 CCOC(=O)NCCSCC=O 62a_200015260668_200011445536 [0,2,0,0,0,0|1,0,0]=3 4391 B11R0.4 CCOC(=O)NCCSCCF 62a_100011217306_200011445536 [0,2,0,0,0,0|1,0,1]=4 4392 B11R0.4 CCOC(=O)NCCSCCO 62a_100000211926_200011445536 [0,2,0,0,0,0|1,0,1]=4 4393 B11R0.4 CCOC(=O)NCCSCOC 62a_100000766300_200011445536 [0,2,0,0,0,0|1,0,1]=4 4394 B11R0.4 CCOC(=O)NCCSCSC 62a_100011218213_200011445536 [0,2,0,0,0,0|1,0,1]=4 4395 B11R0.4 CCOC(=O)OCSCCC#N 62a_100011215226_100000075025 [0,2,0,0,0,0|1,0,1]=4 4396 B11R0.4 CCOC(=O)OCSCCCF 62a_100011934791_100000075025 [0,2,0,0,0,0|1,0,1]=4 4397 B11R0.4 CCOC(=O)OCSCCCO 62a_100011215043_100000075025 [0,2,0,0,0,0|1,0,1]=4 4398 B11R0.4 CCOC(=O)OCSCCOC 62a_100000233755_100000075025 [0,2,0,0,0,0|1,0,1]=4 4399 B11R0.4 CCOC(=O)OCSCCSC 62a_100000212216_100000075025 [0,2,0,0,0,0|1,0,1]=4 4400 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [0,2,0,0,0,0|0,0,2]=4 4401 B11R0.4 CCOCCNCC(=O)OCC 2230a_102516460346_100000188475 [0,2,0,0,0,0|0,0,2]=4 4402 B11R0.4 CCOCCNCC(=O)OCC 34a_102516460346_100000188475 [0,2,0,0,0,0|0,0,2]=4 4403 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [0,2,0,0,0,0|0,0,2]=4 4404 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [0,2,0,0,0,0|0,0,2]=4 4405 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [0,2,0,0,0,0|0,0,2]=4 4406 B11R0.4 CCOCCSCC(=O)OCC 62a_100000188475_100011215890 [0,2,0,0,0,0|0,0,2]=4 4407 B11R0.4 CCOCCSCC(=O)OCC 62a_100000210147_100000188475 [0,2,0,0,0,0|0,0,2]=4 4408 B11R0.4 CCOCCSCC(=O)OCC 7a_200000230590_100000210202 [0,2,0,0,0,0|0,0,2]=4 4409 B11R0.4 CCOCSCCC(=O)OCC 62a_100000739092_100000765890 [0,2,0,0,0,0|0,0,2]=4 4410 B11R0.4 CCOCSCCC(=O)OCC 62a_100000765890_100000739092 [0,2,0,0,0,0|0,0,2]=4 4411 B11R0.5 C#CCCC(=O)CC(=O)OCC 1458a_100000243816_100000753159 [0,2,0,0,0,0|0,0,2]=4 4412 B11R0.5 C#CCCC(=O)CC(=O)OCC 1458a_100000692101_100000188475 [0,2,0,0,0,0|0,0,2]=4 4413 B11R0.5 C#CCCN(C)CC(=O)OCC 2230a_100000220588_100000688953 [0,2,0,0,0,0|0,0,2]=4 4414 B11R0.5 C#CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000038162 [0,2,0,0,0,0|0,0,2]=4 4415 B11R0.5 C#CCSC(C)CC(=O)OCC 62a_100000038162_100009817359 [0,2,0,0,0,0|0,0,2]=4 4416 B11R0.5 C/C=C/CC(=O)CC(=O)OCC 1458a_100000243816_100102629194 [0,2,0,0,0,0|0,0,1]=3 4417 B11R0.5 C/C=C/CN(C)CC(=O)NCC 269982a_100000741943_100102629194 [0,2,0,0,0,0|2,0,0]=4 4418 B11R0.5 C=CC=CC(=O)CC(=O)OCC 1458a_100016291481_100000188475 [0,2,0,0,0,0|0,0,2]=4 4419 B11R0.5 C=CCC(=O)CC(=C)OCOC 1458a_100000210193_100000042856 [0,2,0,0,0,0|1,0,1]=4 4420 B11R0.5 C=CCC(=O)CC(=O)NCCC 1458a_100000210193_100000183358 [0,2,0,0,0,0|1,0,1]=4 4421 B11R0.5 C=CCC(=O)CC(=O)OCCC 1458a_100000210193_200011215008 [0,2,0,0,0,0|0,0,1]=3 4422 B11R0.5 C=CCCC(=O)CC(=C)CCC 1458a_100000138376_100000754431 [0,2,0,0,0,0|2,0,0]=4 4423 B11R0.5 C=CCCC(=O)CC(=O)CCC 1458a_100000749702_100000747444 [0,2,0,0,0,0|1,0,0]=3 4424 B11R0.5 C=CCCC(=O)CC(=O)NCC 1458a_100000749702_100000183381 [0,2,0,0,0,0|1,0,0]=3 4425 B11R0.5 C=CCCC(=O)CC(=O)NCO 1458a_100000749702_100000185155 [0,2,0,0,0,0|2,0,0]=4 4426 B11R0.5 C=CCCC(=O)CC(=O)OC=C 1458a_100000749702_100000036128 [0,2,0,0,0,0|0,0,2]=4 4427 B11R0.5 C=CCCC(=O)CC(=O)OCC 1458a_100000243816_100000754431 [0,2,0,0,0,0|0,0,0]=2 4428 B11R0.5 C=CCCC(=O)CC(=O)OCC 1458a_100000749702_100000188475 [0,2,0,0,0,0|0,0,0]=2 4429 B11R0.5 C=CCCC(=O)CS(=O)CCC 1458a_100011387404_100000754431 [0,2,0,0,0,0|2,0,0]=4 4430 B11R0.5 C=CCCN(C)CC(=O)CCC 2230a_100020639649_100000747444 [0,2,0,0,0,0|1,0,0]=3 4431 B11R0.5 C=CCCN(C)CC(=O)CCC 269982a_100020639649_100000747444 [0,2,0,0,0,0|1,0,0]=3 4432 B11R0.5 C=CCCN(C)CC(=O)NCC 2230a_100000741943_100000754431 [0,2,0,0,0,0|1,0,0]=3 4433 B11R0.5 C=CCCN(C)CC(=O)NCC 2230a_100020639649_100000183381 [0,2,0,0,0,0|1,0,0]=3 4434 B11R0.5 C=CCCN(C)CC(=O)NCC 269982a_100000741943_100000754431 [0,2,0,0,0,0|1,0,0]=3 4435 B11R0.5 C=CCCN(C)CC(=O)NCC 269982a_100020639649_100000183381 [0,2,0,0,0,0|1,0,0]=3 4436 B11R0.5 C=CCCN(C)CC(=O)NCO 2230a_100020639649_100000185155 [0,2,0,0,0,0|2,0,0]=4 4437 B11R0.5 C=CCCN(C)CC(=O)NCO 269982a_100020639649_100000185155 [0,2,0,0,0,0|2,0,0]=4 4438 B11R0.5 C=CCCN(C)CC(=O)OC=C 2230a_100020639649_100000036128 [0,2,0,0,0,0|0,0,2]=4 4439 B11R0.5 C=CCCN(C)CC(=O)OC=C 269982a_100020639649_100000036128 [0,2,0,0,0,0|0,0,2]=4 4440 B11R0.5 C=CCCN(C)CC(=O)OCC 2230a_100000220588_100000754431 [0,2,0,0,0,0|0,0,0]=2 4441 B11R0.5 C=CCCN(C)CC(=O)OCC 2230a_100020639649_100000188475 [0,2,0,0,0,0|0,0,0]=2 4442 B11R0.5 C=CCCN(C)CC(=O)OCC 269982a_100020639649_100000188475 [0,2,0,0,0,0|0,0,0]=2 4443 B11R0.5 C=CCN(C)CC(=C)OCOC 269982a_100000225617_100000042856 [0,2,0,0,0,0|2,0,0]=4 4444 B11R0.5 C=CCN(C)CC(=O)NCCC 2230a_100000225617_100000183358 [0,2,0,0,0,0|2,0,0]=4 4445 B11R0.5 C=CCN(C)CC(=O)NCCC 2230a_100000684209_100000210623 [0,2,0,0,0,0|2,0,0]=4 4446 B11R0.5 C=CCN(C)CC(=O)NCCC 269982a_100000225617_100000183358 [0,2,0,0,0,0|2,0,0]=4 4447 B11R0.5 C=CCN(C)CC(=O)NCCC 269982a_100000684209_100000210623 [0,2,0,0,0,0|2,0,0]=4 4448 B11R0.5 C=CCN(C)CC(=O)OCCC 2230a_100000225617_200011215008 [0,2,0,0,0,0|1,0,0]=3 4449 B11R0.5 C=CCN(C)CC(=O)OCCC 269982a_100000225617_200011215008 [0,2,0,0,0,0|1,0,0]=3 4450 B11R0.5 C=CCNC(=O)CC(=O)CCC 1458a_100000211992_100000183597 [0,2,0,0,0,0|1,0,1]=4 4451 B11R0.5 C=CCNC(=O)CC(=O)OCC 240690a_100020586998_100000243816 [0,2,0,0,0,0|0,0,1]=3 4452 B11R0.5 C=CCNC(C)CC(=O)OCC 2230a_100020586998_100009817359 [0,2,0,0,0,0|0,0,0]=2 4453 B11R0.5 C=CCOC(=O)CC(=O)CC=C 1458a_100000210193_100000033060 [0,2,0,0,0,0|0,0,2]=4 4454 B11R0.5 C=CCOC(=O)CC(=O)CCC 1458a_100000211992_100000033060 [0,2,0,0,0,0|1,0,1]=4 4455 B11R0.5 C=CCOC(=O)CN(C)CC=C 2230a_100000225617_100000033060 [0,2,0,0,0,0|1,0,1]=4 4456 B11R0.5 C=CCOC(=O)CN(C)CC=C 269982a_100000225617_100000033060 [0,2,0,0,0,0|1,0,1]=4 4457 B11R0.5 C=CCO[C@H](C)CC(=O)OCC 7a_100009816390_100015514636 [0,2,0,0,0,0|0,0,0]=2 4458 B11R0.5 C=CCSC(C)CC(=O)OCC 62a_100000210623_100009817359 [0,2,0,0,0,0|0,0,0]=2 4459 B11R0.5 C=CCSC(C)CC(=O)OCC 62a_100009817359_100000210623 [0,2,0,0,0,0|0,0,0]=2 4460 B11R0.5 C=CCSC(C)OC(=O)OCC 62a_100000036008_100000210623 [0,2,0,0,0,0|1,0,0]=3 4461 B11R0.5 C=CCSC(C)OC(=O)OCC 62a_100000210623_100000036008 [0,2,0,0,0,0|1,0,0]=3 4462 B11R0.5 C=COC(=O)CC(=O)COCC 1458a_100000211967_100000036128 [0,2,0,0,0,0|1,0,1]=4 4463 B11R0.5 CC=CCC(=O)CC(=O)CCC 1458a_100121576822_100000747444 [0,2,0,0,0,0|1,0,1]=4 4464 B11R0.5 CC=CCC(=O)CC(=O)NCC 1458a_100121576822_100000183381 [0,2,0,0,0,0|1,0,1]=4 4465 B11R0.5 CC=CCC(=O)CC(=O)OCC 1458a_100000243816_100000070051 [0,2,0,0,0,0|0,0,1]=3 4466 B11R0.5 CC=CCC(=O)CC(=O)OCC 1458a_100121576822_100000188475 [0,2,0,0,0,0|0,0,1]=3 4467 B11R0.5 CC=CCN(C)CC(=O)NCC 2230a_100000741943_100000070051 [0,2,0,0,0,0|2,0,0]=4 4468 B11R0.5 CC=CCN(C)CC(=O)OCC 2230a_100000220588_100000070051 [0,2,0,0,0,0|1,0,0]=3 4469 B11R0.5 CCCC(C)CC(=O)COCC 1458a_100000211967_100011216630 [0,2,0,0,0,0|0,0,2]=4 4470 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000210183_100000188475 [0,2,0,0,0,0|0,0,2]=4 4471 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210211 [0,2,0,0,0,0|0,0,2]=4 4472 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000207549_100000188475 [0,2,0,0,0,0|0,0,2]=4 4473 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000220588_100000210211 [0,2,0,0,0,0|0,0,2]=4 4474 B11R0.5 CCCCN(C)CC(=O)OCC 269982a_100000207549_100000188475 [0,2,0,0,0,0|0,0,2]=4 4475 B11R0.5 CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210303 [0,2,0,0,0,0|0,0,2]=4 4476 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100000210303_100009817359 [0,2,0,0,0,0|0,0,2]=4 4477 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100009817359_100000210303 [0,2,0,0,0,0|0,0,2]=4 4478 B11R0.5 CCOC(=O)CC(=O)CCC#N 1458a_100000243816_100011215226 [0,2,0,0,0,0|1,0,1]=4 4479 B11R0.5 CCOC(=O)CC(=O)CCC#N 1458a_100011934036_100000188475 [0,2,0,0,0,0|1,0,1]=4 4480 B11R0.5 CCOC(=O)CC(=O)CCCF 1458a_100000243816_100011934791 [0,2,0,0,0,0|1,0,1]=4 4481 B11R0.5 CCOC(=O)CC(=O)CCCO 1458a_100000243816_100011215043 [0,2,0,0,0,0|1,0,1]=4 4482 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000243816_100000233755 [0,2,0,0,0,0|1,0,1]=4 4483 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000749529_100000188475 [0,2,0,0,0,0|1,0,1]=4 4484 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000174002_100000188475 [0,2,0,0,0,0|1,0,1]=4 4485 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000243816_100000751147 [0,2,0,0,0,0|1,0,1]=4 4486 B11R0.5 CCOC(=O)CC(C)NCCO 2230a_100016997473_100009817359 [0,2,0,0,0,0|1,0,1]=4 4487 B11R0.5 CCOC(=O)CC(C)SCC#N 62a_100009817359_100011215382 [0,2,0,0,0,0|1,0,1]=4 4488 B11R0.5 CCOC(=O)CC(C)SCC#N 62a_100011215382_100009817359 [0,2,0,0,0,0|1,0,1]=4 4489 B11R0.5 CCOC(=O)CC(C)SCC=O 62a_100009817359_200015260668 [0,2,0,0,0,0|1,0,0]=3 4490 B11R0.5 CCOC(=O)CC(C)SCC=O 62a_200015260668_100009817359 [0,2,0,0,0,0|1,0,0]=3 4491 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100009817359_100011217306 [0,2,0,0,0,0|1,0,1]=4 4492 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100011217306_100009817359 [0,2,0,0,0,0|1,0,1]=4 4493 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100000211926_100009817359 [0,2,0,0,0,0|1,0,1]=4 4494 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100009817359_100000211926 [0,2,0,0,0,0|1,0,1]=4 4495 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100000766300_100009817359 [0,2,0,0,0,0|1,0,1]=4 4496 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100009817359_100000766300 [0,2,0,0,0,0|1,0,1]=4 4497 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100009817359_100011218213 [0,2,0,0,0,0|1,0,1]=4 4498 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100011218213_100009817359 [0,2,0,0,0,0|1,0,1]=4 4499 B11R0.5 CCOC(=O)CN(C)CCC#N 2230a_100000184479_100000188475 [0,2,0,0,0,0|1,0,1]=4 4500 B11R0.5 CCOC(=O)CN(C)CCC#N 2230a_100000220588_100011215226 [0,2,0,0,0,0|1,0,1]=4 4501 B11R0.5 CCOC(=O)CN(C)CCCF 2230a_100000220588_100011934791 [0,2,0,0,0,0|1,0,1]=4 4502 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000213112_100000188475 [0,2,0,0,0,0|1,0,1]=4 4503 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000220588_100000230001 [0,2,0,0,0,0|1,0,1]=4 4504 B11R0.5 CCOC(=O)CN(C)CCCO 269982a_100000213112_100000188475 [0,2,0,0,0,0|1,0,1]=4 4505 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000220588_100011201679 [0,2,0,0,0,0|1,0,1]=4 4506 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000743101_100000188475 [0,2,0,0,0,0|1,0,1]=4 4507 B11R0.5 CCOC(=O)CN(C)CCOC 269982a_100000743101_100000188475 [0,2,0,0,0,0|1,0,1]=4 4508 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000220588_100000751147 [0,2,0,0,0,0|1,0,1]=4 4509 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000686725_100000188475 [0,2,0,0,0,0|1,0,1]=4 4510 B11R0.5 CCOC(=O)CN(C)CCSC 269982a_100000686725_100000188475 [0,2,0,0,0,0|1,0,1]=4 4511 B11R0.5 CCOC(=O)C[C@@H](C)OCC#N 7a_100009816390_100011215382 [0,2,0,0,0,0|1,0,1]=4 4512 B11R0.5 CCOC(=O)C[C@@H](C)OCC=O 7a_100009816390_200015260668 [0,2,0,0,0,0|1,0,0]=3 4513 B11R0.5 CCOC(=O)C[C@@H](C)OCCF 7a_100009816390_100011217306 [0,2,0,0,0,0|1,0,1]=4 4514 B11R0.5 CCOC(=O)C[C@@H](C)OCCO 7a_100009816390_100000211926 [0,2,0,0,0,0|1,0,1]=4 4515 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000210202_100000688340 [0,2,0,0,0,0|0,0,2]=4 4516 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000688340_100000210202 [0,2,0,0,0,0|0,0,2]=4 4517 B11R0.5 CCOC(=O)C[C@H](O)CSCF 62a_100000688340_100015361967 [0,2,0,0,0,0|1,0,1]=4 4518 B11R0.5 CCOC(=O)C[C@H](O)CSCF 62a_100015361967_100000688340 [0,2,0,0,0,0|1,0,1]=4 4519 B11R0.5 CCOC(=O)OC(C)SCC=O 62a_100000036008_200015260668 [0,2,0,0,0,0|2,0,0]=4 4520 B11R0.5 CCOC(=O)OC(C)SCC=O 62a_200015260668_100000036008 [0,2,0,0,0,0|2,0,0]=4 4521 B11R0.5 CCOC[C@@H](O)CC(=O)OCC 34a_100121572206_100000688340 [0,2,0,0,0,0|0,0,2]=4 4522 B11R0.62 C#CCC(=O)CCC(=O)OCC 1458a_100000183558_100000184674 [0,2,0,0,0,0|0,0,2]=4 4523 B11R0.62 C#CCC(C)OCC(=O)OCC 34a_100000685586_100000188475 [0,2,0,0,0,0|0,0,2]=4 4524 B11R0.62 C#CCC(C)OCC(=O)OCC 7a_100000685586_100000188475 [0,2,0,0,0,0|0,0,2]=4 4525 B11R0.62 C#CCN(C)CCC(=O)OCC 2230a_100000225692_100011206558 [0,2,0,0,0,0|0,0,2]=4 4526 B11R0.62 C#CCN(C)CCC(=O)OCC 2230a_100000745921_100000038162 [0,2,0,0,0,0|0,0,2]=4 4527 B11R0.62 C#CCN(C)CCC(=O)OCC 34a_100000225692_100000765890 [0,2,0,0,0,0|0,0,2]=4 4528 B11R0.62 C/C=C/C(C)OCC(=O)NCC 34a_200102604097_100000183381 [0,2,0,0,0,0|2,0,0]=4 4529 B11R0.62 C/C=C/C(C)OCC(=O)OCC 34a_200102604097_100000188475 [0,2,0,0,0,0|1,0,0]=3 4530 B11R0.62 C=CCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210623 [0,2,0,0,0,0|0,0,2]=4 4531 B11R0.62 C=CCC(=O)CCC(=O)NCC 1458a_100000199579_100000210623 [0,2,0,0,0,0|1,0,0]=3 4532 B11R0.62 C=CCC(=O)CCC(=O)OCC 1458a_100000183558_100000210623 [0,2,0,0,0,0|0,0,0]=2 4533 B11R0.62 C=CCC(=O)CNC(=O)OCC 1458a_100000190774_100000210623 [0,2,0,0,0,0|0,0,1]=3 4534 B11R0.62 C=CCC(=O)COC(=O)CCC 1458a_100000210193_100000034017 [0,2,0,0,0,0|1,0,1]=4 4535 B11R0.62 C=CCC(=O)NCC(=O)NCC 11a_100016988866_100000210193 [0,2,0,0,0,0|1,0,1]=4 4536 B11R0.62 C=CCC(=O)NCC(=O)NCC 1626a_100016988866_100000210193 [0,2,0,0,0,0|1,0,1]=4 4537 B11R0.62 C=CCC(=O)NCC(=O)NCC 240690a_100016988866_100000210193 [0,2,0,0,0,0|1,0,1]=4 4538 B11R0.62 C=CCC(=O)NCC(=O)NCC 527a_100016988866_100000210193 [0,2,0,0,0,0|1,0,1]=4 4539 B11R0.62 C=CCC(=O)NCC(=O)OCC 188690a_100000741813_100000210193 [0,2,0,0,0,0|0,0,1]=3 4540 B11R0.62 C=CCN(C)CCC(=O)NCC 2230a_100000225617_100000737597 [0,2,0,0,0,0|1,0,0]=3 4541 B11R0.62 C=CCN(C)CCC(=O)NCC 269982a_100000225617_100000737597 [0,2,0,0,0,0|1,0,0]=3 4542 B11R0.62 C=CCN(C)CCC(=O)OCC 2230a_100000225617_100011206558 [0,2,0,0,0,0|0,0,0]=2 4543 B11R0.62 C=CCN(C)CCC(=O)OCC 2230a_100000745921_100000210623 [0,2,0,0,0,0|0,0,0]=2 4544 B11R0.62 C=CCN(C)CCC(=O)OCC 269982a_100000225617_100011206558 [0,2,0,0,0,0|0,0,0]=2 4545 B11R0.62 C=CCN(C)CCC(=O)OCC 269982a_100000745921_100000210623 [0,2,0,0,0,0|0,0,0]=2 4546 B11R0.62 C=CCN(C)COC(=O)CCC 2230a_100000225617_100000034017 [0,2,0,0,0,0|2,0,0]=4 4547 B11R0.62 C=CCN(C)COC(=O)CCC 269982a_100000225617_100000034017 [0,2,0,0,0,0|2,0,0]=4 4548 B11R0.62 C=CC[C@@H](C)OCC(=O)CCC 7a_100000731007_100000747444 [0,2,0,0,0,0|1,0,0]=3 4549 B11R0.62 C=CC[C@@H](C)OCC(=O)NCC 34a_100000731007_100000183381 [0,2,0,0,0,0|1,0,0]=3 4550 B11R0.62 C=CC[C@@H](C)OCC(=O)NCC 7a_100000731007_100000183381 [0,2,0,0,0,0|1,0,0]=3 4551 B11R0.62 C=CC[C@@H](C)OCC(=O)NCO 34a_100000731007_100000185155 [0,2,0,0,0,0|2,0,0]=4 4552 B11R0.62 C=CC[C@@H](C)OCC(=O)NCO 7a_100000731007_100000185155 [0,2,0,0,0,0|2,0,0]=4 4553 B11R0.62 C=CC[C@@H](C)OCC(=O)OC=C 34a_100000731007_100000036128 [0,2,0,0,0,0|0,0,2]=4 4554 B11R0.62 C=CC[C@@H](C)OCC(=O)OCC 34a_100000731007_100000188475 [0,2,0,0,0,0|0,0,0]=2 4555 B11R0.62 C=CC[C@@H](C)OCC(=O)OCC 7a_100000731007_100000188475 [0,2,0,0,0,0|0,0,0]=2 4556 B11R0.62 CC=CC(=O)NCC(=O)OCC 188690a_100000741813_100000210699 [0,2,0,0,0,0|1,0,1]=4 4557 B11R0.62 CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210303 [0,2,0,0,0,0|0,0,2]=4 4558 B11R0.62 CCCC(C)NCC(=O)OCC 2230a_100000741246_100000188475 [0,2,0,0,0,0|0,0,2]=4 4559 B11R0.62 CCCC(C)OCC(=O)OCC 34a_100000764384_100000188475 [0,2,0,0,0,0|0,0,2]=4 4560 B11R0.62 CCCC(C)OCC(=O)OCC 7a_100000764384_100000188475 [0,2,0,0,0,0|0,0,2]=4 4561 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000188475_100000766640 [0,2,0,0,0,0|0,0,2]=4 4562 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000766640_100000188475 [0,2,0,0,0,0|0,0,2]=4 4563 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000745921_100000210303 [0,2,0,0,0,0|0,0,2]=4 4564 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000747261_100011206558 [0,2,0,0,0,0|0,0,2]=4 4565 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000745921_100000210303 [0,2,0,0,0,0|0,0,2]=4 4566 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000747261_100011206558 [0,2,0,0,0,0|0,0,2]=4 4567 B11R0.62 CCNC(C)CCC(=O)OCC 2230a_100015525214_100000748298 [0,2,0,0,0,0|0,0,2]=4 4568 B11R0.62 CCOC(=O)CCC(=O)CC#N 1458a_100000183558_100011214920 [0,2,0,0,0,0|1,0,1]=4 4569 B11R0.62 CCOC(=O)CCC(=O)CCF 1458a_100000183558_100011217306 [0,2,0,0,0,0|1,0,1]=4 4570 B11R0.62 CCOC(=O)CCC(=O)CCO 1458a_100000183558_100000211926 [0,2,0,0,0,0|1,0,1]=4 4571 B11R0.62 CCOC(=O)CCC(C)OCC 34a_100121572206_100000748298 [0,2,0,0,0,0|0,0,2]=4 4572 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000210202_100000748298 [0,2,0,0,0,0|0,0,2]=4 4573 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000748298_100000210202 [0,2,0,0,0,0|0,0,2]=4 4574 B11R0.62 CCOC(=O)CCC(C)SCF 62a_100000748298_100015361967 [0,2,0,0,0,0|1,0,1]=4 4575 B11R0.62 CCOC(=O)CCC(C)SCF 62a_100015361967_100000748298 [0,2,0,0,0,0|1,0,1]=4 4576 B11R0.62 CCOC(=O)CCN(C)CC#N 2230a_100000745921_100011215382 [0,2,0,0,0,0|1,0,1]=4 4577 B11R0.62 CCOC(=O)CCN(C)CC#N 2230a_100000748184_100011206558 [0,2,0,0,0,0|1,0,1]=4 4578 B11R0.62 CCOC(=O)CCN(C)CC#N 269982a_100000745921_100011214920 [0,2,0,0,0,0|1,0,1]=4 4579 B11R0.62 CCOC(=O)CCN(C)CC=O 2230a_100000745921_200015260668 [0,2,0,0,0,0|1,0,0]=3 4580 B11R0.62 CCOC(=O)CCN(C)CC=O 269982a_100000745921_200015260668 [0,2,0,0,0,0|1,0,0]=3 4581 B11R0.62 CCOC(=O)CCN(C)CCF 2230a_100000745921_100011217306 [0,2,0,0,0,0|1,0,1]=4 4582 B11R0.62 CCOC(=O)CCN(C)CCF 269982a_100000745921_100011217306 [0,2,0,0,0,0|1,0,1]=4 4583 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000210263_100011206558 [0,2,0,0,0,0|1,0,1]=4 4584 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000745921_100000211926 [0,2,0,0,0,0|1,0,1]=4 4585 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000210263_100011206558 [0,2,0,0,0,0|1,0,1]=4 4586 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000745921_100000211926 [0,2,0,0,0,0|1,0,1]=4 4587 B11R0.62 CCOC(=O)CCN(C)COC 2230a_100000745921_100000766300 [0,2,0,0,0,0|1,0,1]=4 4588 B11R0.62 CCOC(=O)CCN(C)COC 269982a_100000745921_100000766300 [0,2,0,0,0,0|1,0,1]=4 4589 B11R0.62 CCOC(=O)CCN(C)CSC 2230a_100000745921_100011218213 [0,2,0,0,0,0|1,0,1]=4 4590 B11R0.62 CCOC(=O)CCN(C)CSC 269982a_100000745921_100011218213 [0,2,0,0,0,0|1,0,1]=4 4591 B11R0.62 CCOC(=O)CN[C@@H](C)CC#N 2230a_100016994482_100000188475 [0,2,0,0,0,0|1,0,1]=4 4592 B11R0.62 CCOC(=O)CN[C@H](C)CCO 2230a_100000706166_100000188475 [0,2,0,0,0,0|1,0,1]=4 4593 B11R0.62 CCOC(=O)CN[C@H](C)CCO 34a_100000706166_100000188475 [0,2,0,0,0,0|1,0,1]=4 4594 B11R0.62 CCOC(=O)CN[C@H](C)COC 2230a_100000764878_100000188475 [0,2,0,0,0,0|1,0,1]=4 4595 B11R0.62 CCOC(=O)COC(C)CCBr 34a_100012276601_100000188475 [0,2,0,0,0,0|1,0,1]=4 4596 B11R0.62 CCOC(=O)CO[C@H](C)COC 34a_100011934205_100000188475 [0,2,0,0,0,0|1,0,1]=4 4597 B11R0.62 CCOC(=O)CSC(C)CC#N 62a_100000188475_100009813641 [0,2,0,0,0,0|1,0,1]=4 4598 B11R0.62 CCOC(=O)CSC(C)CC#N 62a_100009813641_100000188475 [0,2,0,0,0,0|1,0,1]=4 4599 B11R0.62 CCOC(=O)CSC(C)CCO 62a_100000188475_100009893172 [0,2,0,0,0,0|1,0,1]=4 4600 B11R0.62 CCOC(=O)CSC(C)CCO 62a_100009893172_100000188475 [0,2,0,0,0,0|1,0,1]=4 4601 B11R0.62 CCOC(=O)CSC(C)COC 62a_100000188475_100000765312 [0,2,0,0,0,0|1,0,1]=4 4602 B11R0.62 CCOC(=O)CSC(C)COC 62a_100000765312_100000188475 [0,2,0,0,0,0|1,0,1]=4 4603 B11R0.81 C#CCCC(=O)CCCCC=C 1458a_100000692101_100011215482 [0,2,0,0,0,0|1,0,1]=4 4604 B11R0.81 C#CCCC(=O)CCCCC=C 1458a_100011215552_100000753159 [0,2,0,0,0,0|1,0,1]=4 4605 B11R0.81 C#CCCC(=O)CCOCC=C 1458a_200011217002_100000753159 [0,2,0,0,0,0|1,0,1]=4 4606 B11R0.81 C#CCCC(=O)CCOCC=C 34a_100011064465_100015514636 [0,2,0,0,0,0|1,0,1]=4 4607 B11R0.81 C#CCCC(=O)CCOCC=C 7a_100011064465_100015514636 [0,2,0,0,0,0|1,0,1]=4 4608 B11R0.81 C#CCCC(=O)NCCCC=C 11a_100000700776_100000692101 [0,2,0,0,0,0|1,0,1]=4 4609 B11R0.81 C#CCCC(=O)NCCCC=C 1626a_100000700776_100000692101 [0,2,0,0,0,0|1,0,1]=4 4610 B11R0.81 C#CCCC(=O)NCCCC=C 240690a_100000700776_100000692101 [0,2,0,0,0,0|1,0,1]=4 4611 B11R0.81 C#CCCC(=O)NCCCC=C 527a_100000700776_100000692101 [0,2,0,0,0,0|1,0,1]=4 4612 B11R0.81 C#CCCCCC(=O)COCC 1458a_100000211967_100010269958 [0,2,0,0,0,0|0,0,2]=4 4613 B11R0.81 C#CCCCNC(=O)COCC 11a_100000718082_100000211967 [0,2,0,0,0,0|0,0,2]=4 4614 B11R0.81 C#CCCCNC(=O)COCC 1626a_100000718082_100000211967 [0,2,0,0,0,0|0,0,2]=4 4615 B11R0.81 C#CCCCNC(=O)COCC 240690a_100000718082_100000211967 [0,2,0,0,0,0|0,0,2]=4 4616 B11R0.81 C#CCCCNC(=O)COCC 527a_100000718082_100000211967 [0,2,0,0,0,0|0,0,2]=4 4617 B11R0.81 C#CCCNCC(=O)OCCC 34a_100000755551_200011215008 [0,2,0,0,0,0|0,0,2]=4 4618 B11R0.81 C#CCCOCC(=O)OCCC 34a_100011215631_200011215008 [0,2,0,0,0,0|0,0,2]=4 4619 B11R0.81 C#CCCSCC(=O)OCCC 62a_100000688953_200011215008 [0,2,0,0,0,0|0,0,2]=4 4620 B11R0.81 C#CCCSCC(=O)OCCC 62a_200011215008_100000688953 [0,2,0,0,0,0|0,0,2]=4 4621 B11R0.81 C#CCNC(=O)CCCCC=C 11a_100000212058_100011215552 [0,2,0,0,0,0|1,0,1]=4 4622 B11R0.81 C#CCNC(=O)CCCCC=C 1626a_100000212058_100011215552 [0,2,0,0,0,0|1,0,1]=4 4623 B11R0.81 C#CCNC(=O)CCCCC=C 240690a_100000212058_100011215552 [0,2,0,0,0,0|1,0,1]=4 4624 B11R0.81 C#CCNC(=O)CCCCC=C 527a_100000212058_100011215552 [0,2,0,0,0,0|1,0,1]=4 4625 B11R0.81 C#CCNC(=O)CCOCC=C 11a_100000212058_200011217002 [0,2,0,0,0,0|1,0,1]=4 4626 B11R0.81 C#CCNC(=O)CCOCC=C 1626a_100000212058_200011217002 [0,2,0,0,0,0|1,0,1]=4 4627 B11R0.81 C#CCNC(=O)CCOCC=C 240690a_100000212058_200011217002 [0,2,0,0,0,0|1,0,1]=4 4628 B11R0.81 C#CCNC(=O)CCOCC=C 527a_100000212058_200011217002 [0,2,0,0,0,0|1,0,1]=4 4629 B11R0.81 C#CCNC(=O)CNCCC=C 2230a_100000747989_100000754431 [0,2,0,0,0,0|1,0,1]=4 4630 B11R0.81 C#CCNC(=O)CNCCC=C 34a_100000747989_100000754431 [0,2,0,0,0,0|1,0,1]=4 4631 B11R0.81 C#CCNC(=O)NCCCC=C 2708a_100000212058_100000700776 [0,2,0,0,0,0|1,0,1]=4 4632 B11R0.81 C#CCNC(=O)NCCCC=C 2708a_100000700776_100000212058 [0,2,0,0,0,0|1,0,1]=4 4633 B11R0.81 C#CCNC(=O)NCCCC=C 273464a_100000212058_100000700776 [0,2,0,0,0,0|1,0,1]=4 4634 B11R0.81 C#CCNC(=O)NCCCC=C 273464a_100000700776_100000212058 [0,2,0,0,0,0|1,0,1]=4 4635 B11R0.81 C#CCNC(=O)NCCCC=C 512a_100000212058_100000700776 [0,2,0,0,0,0|1,0,1]=4 4636 B11R0.81 C#CCNC(=O)NCCCC=C 512a_100000700776_100000212058 [0,2,0,0,0,0|1,0,1]=4 4637 B11R0.81 C#CCOCCC(=O)COCC 1458a_100000211967_100010402529 [0,2,0,0,0,0|0,0,2]=4 4638 B11R0.81 C/C=C/COCC(=O)NCCC 34a_100016270725_100000183358 [0,2,0,0,0,0|2,0,0]=4 4639 B11R0.81 C/C=C/COCC(=O)OCCC 34a_100016270725_200011215008 [0,2,0,0,0,0|1,0,0]=3 4640 B11R0.81 C/C=C/CSCC(=O)NCCC 62a_100000183358_100102629194 [0,2,0,0,0,0|2,0,0]=4 4641 B11R0.81 C/C=C/CSCC(=O)NCCC 62a_100102629194_100000183358 [0,2,0,0,0,0|2,0,0]=4 4642 B11R0.81 C/C=C/CSCC(=O)OCCC 62a_100102629194_200011215008 [0,2,0,0,0,0|1,0,0]=3 4643 B11R0.81 C/C=C/CSCC(=O)OCCC 62a_200011215008_100102629194 [0,2,0,0,0,0|1,0,0]=3 4644 B11R0.81 C=C(COC/C=C/C)OCOC 34a_100016270725_100000042856 [0,2,0,0,0,0|2,0,0]=4 4645 B11R0.81 C=C(CSC/C=C/C)OCOC 62a_100000042856_100102629194 [0,2,0,0,0,0|2,0,0]=4 4646 B11R0.81 C=C(CSC/C=C/C)OCOC 62a_100102629194_100000042856 [0,2,0,0,0,0|2,0,0]=4 4647 B11R0.81 C=C(CSCC=CC)OCOC 62a_100000042856_100000070051 [0,2,0,0,0,0|2,0,0]=4 4648 B11R0.81 C=C(CSCC=CC)OCOC 62a_100000070051_100000042856 [0,2,0,0,0,0|2,0,0]=4 4649 B11R0.81 C=CCCC(=O)CCOCC=C 1458a_200011217002_100000754431 [0,2,0,0,0,0|1,0,1]=4 4650 B11R0.81 C=CCCCCC(=O)C#CCC 1458a_100011827653_100011215482 [0,2,0,0,0,0|1,0,0]=3 4651 B11R0.81 C=CCCCCC(=O)C#CCO 1458a_100000049017_100011215482 [0,2,0,0,0,0|1,0,1]=4 4652 B11R0.81 C=CCCCCC(=O)C/C=C/C 1458a_100011215552_100102629194 [0,2,0,0,0,0|1,0,1]=4 4653 B11R0.81 C=CCCCCC(=O)C=CCC 1458a_100000212282_100011215482 [0,2,0,0,0,0|1,0,0]=3 4654 B11R0.81 C=CCCCCC(=O)C=COC 1458a_100016268678_100011215482 [0,2,0,0,0,0|1,0,1]=4 4655 B11R0.81 C=CCCCCC(=O)CC#CC 1458a_100011215552_100000748600 [0,2,0,0,0,0|1,0,1]=4 4656 B11R0.81 C=CCCCCC(=O)CC=CC 1458a_100011215552_100000070051 [0,2,0,0,0,0|1,0,1]=4 4657 B11R0.81 C=CCCCCC(=O)CC=CC 1458a_100121576822_100011215482 [0,2,0,0,0,0|1,0,1]=4 4658 B11R0.81 C=CCCCCC(=O)CCC#N 1458a_100011215552_100011215226 [0,2,0,0,0,0|1,0,1]=4 4659 B11R0.81 C=CCCCCC(=O)CCC#N 1458a_100011934036_100011215482 [0,2,0,0,0,0|1,0,1]=4 4660 B11R0.81 C=CCCCCC(=O)CCC=C 1458a_100000749702_100011215482 [0,2,0,0,0,0|1,0,1]=4 4661 B11R0.81 C=CCCCCC(=O)CCC=C 1458a_100011215552_100000754431 [0,2,0,0,0,0|1,0,1]=4 4662 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100000210183_100011215482 [0,2,0,0,0,0|1,0,0]=3 4663 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100011215552_100000210211 [0,2,0,0,0,0|1,0,0]=3 4664 B11R0.81 C=CCCCCC(=O)CCCF 1458a_100011215552_100011934791 [0,2,0,0,0,0|1,0,0]=3 4665 B11R0.81 C=CCCCCC(=O)CCCO 1458a_100011215552_100011215043 [0,2,0,0,0,0|1,0,0]=3 4666 B11R0.81 C=CCCCCC(=O)CCOC 1458a_100000749529_100011215482 [0,2,0,0,0,0|1,0,0]=3 4667 B11R0.81 C=CCCCCC(=O)CCOC 1458a_100011215552_100000233755 [0,2,0,0,0,0|1,0,0]=3 4668 B11R0.81 C=CCCCCC(=O)CCSC 1458a_100000174002_100011215482 [0,2,0,0,0,0|1,0,0]=3 4669 B11R0.81 C=CCCCCC(=O)CCSC 1458a_100011215552_100000751147 [0,2,0,0,0,0|1,0,0]=3 4670 B11R0.81 C=CCCCCC(=O)COCC 1458a_100000211967_100011215482 [0,2,0,0,0,0|0,0,0]=2 4671 B11R0.81 C=CCCCCC(=O)CSCC 1458a_100000230394_100011215482 [0,2,0,0,0,0|0,1,0]=3 4672 B11R0.81 C=CCCCCC(=O)NCC#N 1626a_100000734998_100011215552 [0,2,0,0,0,0|1,0,1]=4 4673 B11R0.81 C=CCCCCC(=O)NCC#N 527a_100000734998_100011215552 [0,2,0,0,0,0|1,0,1]=4 4674 B11R0.81 C=CCCCCC(=O)NCC=C 1626a_100020586998_100011215552 [0,2,0,0,0,0|1,0,1]=4 4675 B11R0.81 C=CCCCCC(=O)NCC=C 240690a_100020586998_100011215552 [0,2,0,0,0,0|1,0,1]=4 4676 B11R0.81 C=CCCCCC(=O)NCC=C 527a_100020586998_100011215552 [0,2,0,0,0,0|1,0,1]=4 4677 B11R0.81 C=CCCCCC(=O)NCCC 11a_100020643023_100011215552 [0,2,0,0,0,0|1,0,0]=3 4678 B11R0.81 C=CCCCCC(=O)NCCC 1626a_100020643023_100011215552 [0,2,0,0,0,0|1,0,0]=3 4679 B11R0.81 C=CCCCCC(=O)NCCC 240690a_100020643023_100011215552 [0,2,0,0,0,0|1,0,0]=3 4680 B11R0.81 C=CCCCCC(=O)NCCC 527a_100020643023_100011215552 [0,2,0,0,0,0|1,0,0]=3 4681 B11R0.81 C=CCCCCC(=O)NCCF 11a_100000724931_100011215552 [0,2,0,0,0,0|1,0,0]=3 4682 B11R0.81 C=CCCCCC(=O)NCCF 1626a_100000724931_100011215552 [0,2,0,0,0,0|1,0,0]=3 4683 B11R0.81 C=CCCCCC(=O)NCCF 240690a_100000724931_100011215552 [0,2,0,0,0,0|1,0,0]=3 4684 B11R0.81 C=CCCCCC(=O)NCCF 527a_100000724931_100011215552 [0,2,0,0,0,0|1,0,0]=3 4685 B11R0.81 C=CCCCCC(=O)NCCO 240690a_100000210304_100011215552 [0,2,0,0,0,0|1,0,0]=3 4686 B11R0.81 C=CCCCCC(=O)NCCO 527a_100000210304_100011215552 [0,2,0,0,0,0|1,0,0]=3 4687 B11R0.81 C=CCCCCC(=O)NNCC 22a_100000756455_100011215552 [0,2,0,0,0,0|1,0,0]=3 4688 B11R0.81 C=CCCCCN(C)COCC 269982a_100012000471_100000739092 [0,2,0,0,0,0|2,0,0]=4 4689 B11R0.81 C=CCCCNC(=O)C=CCC 11a_100000700776_100000212282 [0,2,0,0,0,0|1,0,0]=3 4690 B11R0.81 C=CCCCNC(=O)C=CCC 1626a_100000700776_100000212282 [0,2,0,0,0,0|1,0,0]=3 4691 B11R0.81 C=CCCCNC(=O)C=CCC 240690a_100000700776_100000212282 [0,2,0,0,0,0|1,0,0]=3 4692 B11R0.81 C=CCCCNC(=O)C=COC 1626a_100000700776_100016268678 [0,2,0,0,0,0|1,0,1]=4 4693 B11R0.81 C=CCCCNC(=O)C=COC 240690a_100000700776_100016268678 [0,2,0,0,0,0|1,0,1]=4 4694 B11R0.81 C=CCCCNC(=O)CC=CC 11a_100000700776_100121576822 [0,2,0,0,0,0|1,0,1]=4 4695 B11R0.81 C=CCCCNC(=O)CC=CC 1626a_100000700776_100121576822 [0,2,0,0,0,0|1,0,1]=4 4696 B11R0.81 C=CCCCNC(=O)CC=CC 240690a_100000700776_100121576822 [0,2,0,0,0,0|1,0,1]=4 4697 B11R0.81 C=CCCCNC(=O)CC=CC 527a_100000700776_100121576822 [0,2,0,0,0,0|1,0,1]=4 4698 B11R0.81 C=CCCCNC(=O)CCC#N 11a_100000700776_100011934036 [0,2,0,0,0,0|1,0,1]=4 4699 B11R0.81 C=CCCCNC(=O)CCC#N 1626a_100000700776_100011934036 [0,2,0,0,0,0|1,0,1]=4 4700 B11R0.81 C=CCCCNC(=O)CCC#N 240690a_100000700776_100011934036 [0,2,0,0,0,0|1,0,1]=4 4701 B11R0.81 C=CCCCNC(=O)CCC#N 527a_100000700776_100011934036 [0,2,0,0,0,0|1,0,1]=4 4702 B11R0.81 C=CCCCNC(=O)CCC=C 11a_100000700776_100000749702 [0,2,0,0,0,0|1,0,1]=4 4703 B11R0.81 C=CCCCNC(=O)CCC=C 1626a_100000700776_100000749702 [0,2,0,0,0,0|1,0,1]=4 4704 B11R0.81 C=CCCCNC(=O)CCC=C 240690a_100000700776_100000749702 [0,2,0,0,0,0|1,0,1]=4 4705 B11R0.81 C=CCCCNC(=O)CCC=C 527a_100000700776_100000749702 [0,2,0,0,0,0|1,0,1]=4 4706 B11R0.81 C=CCCCNC(=O)CCCC 11a_100000700776_100000210183 [0,2,0,0,0,0|1,0,0]=3 4707 B11R0.81 C=CCCCNC(=O)CCCC 1626a_100000700776_100000210183 [0,2,0,0,0,0|1,0,0]=3 4708 B11R0.81 C=CCCCNC(=O)CCCC 240690a_100000700776_100000210183 [0,2,0,0,0,0|1,0,0]=3 4709 B11R0.81 C=CCCCNC(=O)CCCC 527a_100000700776_100000210183 [0,2,0,0,0,0|1,0,0]=3 4710 B11R0.81 C=CCCCNC(=O)CCOC 11a_100000700776_100000749529 [0,2,0,0,0,0|1,0,0]=3 4711 B11R0.81 C=CCCCNC(=O)CCOC 1626a_100000700776_100000749529 [0,2,0,0,0,0|1,0,0]=3 4712 B11R0.81 C=CCCCNC(=O)CCOC 240690a_100000700776_100000749529 [0,2,0,0,0,0|1,0,0]=3 4713 B11R0.81 C=CCCCNC(=O)CCOC 527a_100000700776_100000749529 [0,2,0,0,0,0|1,0,0]=3 4714 B11R0.81 C=CCCCNC(=O)CCSC 11a_100000700776_100000174002 [0,2,0,0,0,0|1,0,0]=3 4715 B11R0.81 C=CCCCNC(=O)CCSC 1626a_100000700776_100000174002 [0,2,0,0,0,0|1,0,0]=3 4716 B11R0.81 C=CCCCNC(=O)CCSC 240690a_100000700776_100000174002 [0,2,0,0,0,0|1,0,0]=3 4717 B11R0.81 C=CCCCNC(=O)CCSC 527a_100000700776_100000174002 [0,2,0,0,0,0|1,0,0]=3 4718 B11R0.81 C=CCCCNC(=O)COCC 11a_100000700776_100000211967 [0,2,0,0,0,0|0,0,0]=2 4719 B11R0.81 C=CCCCNC(=O)COCC 1626a_100000700776_100000211967 [0,2,0,0,0,0|0,0,0]=2 4720 B11R0.81 C=CCCCNC(=O)COCC 240690a_100000700776_100000211967 [0,2,0,0,0,0|0,0,0]=2 4721 B11R0.81 C=CCCCNC(=O)COCC 527a_100000700776_100000211967 [0,2,0,0,0,0|0,0,0]=2 4722 B11R0.81 C=CCCCNC(=O)CSCC 11a_100000700776_100000230394 [0,2,0,0,0,0|0,1,0]=3 4723 B11R0.81 C=CCCCNC(=O)CSCC 1626a_100000700776_100000230394 [0,2,0,0,0,0|0,1,0]=3 4724 B11R0.81 C=CCCCNC(=O)CSCC 240690a_100000700776_100000230394 [0,2,0,0,0,0|0,1,0]=3 4725 B11R0.81 C=CCCCNC(=O)CSCC 527a_100000700776_100000230394 [0,2,0,0,0,0|0,1,0]=3 4726 B11R0.81 C=CCCCNC(=O)NCC#N 2708a_100000734998_100000700776 [0,2,0,0,0,0|1,0,1]=4 4727 B11R0.81 C=CCCCNC(=O)NCC#N 273464a_100000700776_100000734998 [0,2,0,0,0,0|1,0,1]=4 4728 B11R0.81 C=CCCCNC(=O)NCC#N 273464a_100000734998_100000700776 [0,2,0,0,0,0|1,0,1]=4 4729 B11R0.81 C=CCCCNC(=O)NCC#N 512a_100000700776_100000734998 [0,2,0,0,0,0|1,0,1]=4 4730 B11R0.81 C=CCCCNC(=O)NCC#N 512a_100000734998_100000700776 [0,2,0,0,0,0|1,0,1]=4 4731 B11R0.81 C=CCCCNC(=O)NCC=C 2708a_100000700776_100020586998 [0,2,0,0,0,0|1,0,1]=4 4732 B11R0.81 C=CCCCNC(=O)NCC=C 273464a_100000700776_100020586998 [0,2,0,0,0,0|1,0,1]=4 4733 B11R0.81 C=CCCCNC(=O)NCC=C 273464a_100020586998_100000700776 [0,2,0,0,0,0|1,0,1]=4 4734 B11R0.81 C=CCCCNC(=O)NCC=C 512a_100000700776_100020586998 [0,2,0,0,0,0|1,0,1]=4 4735 B11R0.81 C=CCCCNC(=O)NCC=C 512a_100020586998_100000700776 [0,2,0,0,0,0|1,0,1]=4 4736 B11R0.81 C=CCCCNC(=O)NCCC 2708a_100000700776_100020643023 [0,2,0,0,0,0|1,0,0]=3 4737 B11R0.81 C=CCCCNC(=O)NCCC 2708a_100020643023_100000700776 [0,2,0,0,0,0|1,0,0]=3 4738 B11R0.81 C=CCCCNC(=O)NCCC 273464a_100000700776_100020643023 [0,2,0,0,0,0|1,0,0]=3 4739 B11R0.81 C=CCCCNC(=O)NCCC 273464a_100020643023_100000700776 [0,2,0,0,0,0|1,0,0]=3 4740 B11R0.81 C=CCCCNC(=O)NCCC 512a_100000700776_100020643023 [0,2,0,0,0,0|1,0,0]=3 4741 B11R0.81 C=CCCCNC(=O)NCCC 512a_100020643023_100000700776 [0,2,0,0,0,0|1,0,0]=3 4742 B11R0.81 C=CCCCNC(=O)NCCF 2708a_100000700776_100000724931 [0,2,0,0,0,0|1,0,0]=3 4743 B11R0.81 C=CCCCNC(=O)NCCF 273464a_100000700776_100000724931 [0,2,0,0,0,0|1,0,0]=3 4744 B11R0.81 C=CCCCNC(=O)NCCF 273464a_100000724931_100000700776 [0,2,0,0,0,0|1,0,0]=3 4745 B11R0.81 C=CCCCNC(=O)NCCF 512a_100000700776_100000724931 [0,2,0,0,0,0|1,0,0]=3 4746 B11R0.81 C=CCCCNC(=O)NCCO 2708a_100000700776_100000210304 [0,2,0,0,0,0|1,0,0]=3 4747 B11R0.81 C=CCCCNC(=O)NCCO 273464a_100000210304_100000700776 [0,2,0,0,0,0|1,0,0]=3 4748 B11R0.81 C=CCCCNC(=O)NCCO 273464a_100000700776_100000210304 [0,2,0,0,0,0|1,0,0]=3 4749 B11R0.81 C=CCCCNC(=O)NCCO 512a_100000700776_100000210304 [0,2,0,0,0,0|1,0,0]=3 4750 B11R0.81 C=CCCCNC(=O)NNCC 273464a_100000700776_100000756455 [0,2,0,0,0,0|1,0,0]=3 4751 B11R0.81 C=CCCCNC(=O)NNCC 512a_100000700776_100000756455 [0,2,0,0,0,0|1,0,0]=3 4752 B11R0.81 C=CCCCNC(=O)NNCC 512a_100000756455_100000700776 [0,2,0,0,0,0|1,0,0]=3 4753 B11R0.81 C=CCCCOC(C)COCC 34a_100000718985_100000757094 [0,2,0,0,0,0|1,0,1]=4 4754 B11R0.81 C=CCCCOC(C)COCC 7a_100000718985_100000757094 [0,2,0,0,0,0|1,0,1]=4 4755 B11R0.81 C=CCCNCC(=O)NCC#N 2230a_100015191253_100000736037 [0,2,0,0,0,0|1,0,1]=4 4756 B11R0.81 C=CCCNCC(=O)NCC=C 2230a_100015191253_100000183597 [0,2,0,0,0,0|1,0,1]=4 4757 B11R0.81 C=CCCNCC(=O)NCCC 2230a_100000174927_100000754431 [0,2,0,0,0,0|1,0,0]=3 4758 B11R0.81 C=CCCNCC(=O)NCCC 2230a_100015191253_100000183358 [0,2,0,0,0,0|1,0,0]=3 4759 B11R0.81 C=CCCNCC(=O)NCCF 2230a_100000725713_100000754431 [0,2,0,0,0,0|1,0,0]=3 4760 B11R0.81 C=CCCNCC(=O)OCC=C 2230a_100015191253_100000033060 [0,2,0,0,0,0|0,0,1]=3 4761 B11R0.81 C=CCCNCC(=O)OCCC 2230a_100015191253_200011215008 [0,2,0,0,0,0|0,0,0]=2 4762 B11R0.81 C=CCCNCC(C)OCCC 2230a_100015185124_100000754431 [0,2,0,0,0,0|1,0,1]=4 4763 B11R0.81 C=CCCNCC(C)OCCC 34a_100015185124_100000754431 [0,2,0,0,0,0|1,0,1]=4 4764 B11R0.81 C=CCCNCC(O)COCC 2230a_102515437182_100000754431 [0,2,0,0,0,0|0,0,2]=4 4765 B11R0.81 C=CCCNCC(O)COCC 34a_102515437182_100000754431 [0,2,0,0,0,0|0,0,2]=4 4766 B11R0.81 C=CCCOCC(=C)OCOC 34a_100011205117_100000042856 [0,2,0,0,0,0|1,0,0]=3 4767 B11R0.81 C=CCCOCC(=O)NCCC 34a_100011205117_100000183358 [0,2,0,0,0,0|1,0,0]=3 4768 B11R0.81 C=CCCOCC(=O)OCC=C 34a_100011205117_100000033060 [0,2,0,0,0,0|0,0,1]=3 4769 B11R0.81 C=CCCOCC(=O)OCCC 34a_100011205117_200011215008 [0,2,0,0,0,0|0,0,0]=2 4770 B11R0.81 C=CCCOC[C@@H](C)OCOC 34a_100016172286_100000754431 [0,2,0,0,0,0|1,0,1]=4 4771 B11R0.81 C=CCCOC[C@@H](C)OCOC 7a_100016172286_100000754431 [0,2,0,0,0,0|1,0,1]=4 4772 B11R0.81 C=CCCSCC(=C)OCOC 62a_100000042856_100000754431 [0,2,0,0,0,0|1,0,0]=3 4773 B11R0.81 C=CCCSCC(=C)OCOC 62a_100000754431_100000042856 [0,2,0,0,0,0|1,0,0]=3 4774 B11R0.81 C=CCCSCC(=O)NCC#N 62a_100000736037_100000754431 [0,2,0,0,0,0|1,0,1]=4 4775 B11R0.81 C=CCCSCC(=O)NCC#N 62a_100000754431_100000736037 [0,2,0,0,0,0|1,0,1]=4 4776 B11R0.81 C=CCCSCC(=O)NCC=C 62a_100000183597_100000754431 [0,2,0,0,0,0|1,0,1]=4 4777 B11R0.81 C=CCCSCC(=O)NCC=C 62a_100000754431_100000183597 [0,2,0,0,0,0|1,0,1]=4 4778 B11R0.81 C=CCCSCC(=O)NCCC 62a_100000183358_100000754431 [0,2,0,0,0,0|1,0,0]=3 4779 B11R0.81 C=CCCSCC(=O)NCCC 62a_100000754431_100000183358 [0,2,0,0,0,0|1,0,0]=3 4780 B11R0.81 C=CCCSCC(=O)OCC=C 62a_100000033060_100000754431 [0,2,0,0,0,0|0,0,1]=3 4781 B11R0.81 C=CCCSCC(=O)OCC=C 62a_100000754431_100000033060 [0,2,0,0,0,0|0,0,1]=3 4782 B11R0.81 C=CCCSCC(=O)OCCC 62a_100000754431_200011215008 [0,2,0,0,0,0|0,0,0]=2 4783 B11R0.81 C=CCCSCC(=O)OCCC 62a_200011215008_100000754431 [0,2,0,0,0,0|0,0,0]=2 4784 B11R0.81 C=CCNC(=O)CCOCC=C 1626a_100020586998_200011217002 [0,2,0,0,0,0|1,0,1]=4 4785 B11R0.81 C=CCNC(=O)CCOCC=C 240690a_100020586998_200011217002 [0,2,0,0,0,0|1,0,1]=4 4786 B11R0.81 C=CCNC(=O)CCOCC=C 527a_100020586998_200011217002 [0,2,0,0,0,0|1,0,1]=4 4787 B11R0.81 C=CCNC(=O)CCSCC=C 62a_100000210623_100011222895 [0,2,0,0,0,0|1,0,1]=4 4788 B11R0.81 C=CCNC(=O)CCSCC=C 62a_100011222895_100000210623 [0,2,0,0,0,0|1,0,1]=4 4789 B11R0.81 C=CCNCCC(=O)NCC=C 2230a_100020586998_100011222895 [0,2,0,0,0,0|1,0,1]=4 4790 B11R0.81 C=CCOC(=O)COC/C=C/C 34a_100016270725_100000033060 [0,2,0,0,0,0|1,0,1]=4 4791 B11R0.81 C=CCOC(=O)CSC/C=C/C 62a_100000033060_100102629194 [0,2,0,0,0,0|1,0,1]=4 4792 B11R0.81 C=CCOC(=O)CSC/C=C/C 62a_100102629194_100000033060 [0,2,0,0,0,0|1,0,1]=4 4793 B11R0.81 C=CCOC(=O)CSCC=CC 62a_100000033060_100000070051 [0,2,0,0,0,0|1,0,1]=4 4794 B11R0.81 C=CCOC(=O)CSCC=CC 62a_100000070051_100000033060 [0,2,0,0,0,0|1,0,1]=4 4795 B11R0.81 C=CCOCCC(=O)C/C=C/C 1458a_200011217002_100102629194 [0,2,0,0,0,0|1,0,1]=4 4796 B11R0.81 C=CCOCCC(=O)CC#CC 1458a_200011217002_100000748600 [0,2,0,0,0,0|1,0,1]=4 4797 B11R0.81 C=CCOCCC(=O)CC=CC 1458a_200011217002_100000070051 [0,2,0,0,0,0|1,0,1]=4 4798 B11R0.81 C=CCOCCC(=O)CCC#N 1458a_200011217002_100011215226 [0,2,0,0,0,0|1,0,1]=4 4799 B11R0.81 C=CCOCCC(=O)CCCC 1458a_200011217002_100000210211 [0,2,0,0,0,0|1,0,0]=3 4800 B11R0.81 C=CCOCCC(=O)CCCF 1458a_200011217002_100011934791 [0,2,0,0,0,0|1,0,0]=3 4801 B11R0.81 C=CCOCCC(=O)CCCO 1458a_200011217002_100011215043 [0,2,0,0,0,0|1,0,0]=3 4802 B11R0.81 C=CCOCCC(=O)CCOC 1458a_200011217002_100000233755 [0,2,0,0,0,0|1,0,0]=3 4803 B11R0.81 C=CCOCCC(=O)CCSC 1458a_200011217002_100000751147 [0,2,0,0,0,0|1,0,0]=3 4804 B11R0.81 C=CCOCCC(=O)NCC#N 1626a_100000734998_200011217002 [0,2,0,0,0,0|1,0,1]=4 4805 B11R0.81 C=CCOCCC(=O)NCC#N 527a_100000734998_200011217002 [0,2,0,0,0,0|1,0,1]=4 4806 B11R0.81 C=CCOCCC(=O)NCCC 11a_100020643023_200011217002 [0,2,0,0,0,0|1,0,0]=3 4807 B11R0.81 C=CCOCCC(=O)NCCC 1626a_100020643023_200011217002 [0,2,0,0,0,0|1,0,0]=3 4808 B11R0.81 C=CCOCCC(=O)NCCC 240690a_100020643023_200011217002 [0,2,0,0,0,0|1,0,0]=3 4809 B11R0.81 C=CCOCCC(=O)NCCC 527a_100020643023_200011217002 [0,2,0,0,0,0|1,0,0]=3 4810 B11R0.81 C=CCOCCC(=O)NCCF 11a_100000724931_200011217002 [0,2,0,0,0,0|1,0,0]=3 4811 B11R0.81 C=CCOCCC(=O)NCCF 1626a_100000724931_200011217002 [0,2,0,0,0,0|1,0,0]=3 4812 B11R0.81 C=CCOCCC(=O)NCCF 240690a_100000724931_200011217002 [0,2,0,0,0,0|1,0,0]=3 4813 B11R0.81 C=CCOCCC(=O)NCCF 527a_100000724931_200011217002 [0,2,0,0,0,0|1,0,0]=3 4814 B11R0.81 C=CCOCCC(=O)NCCO 240690a_100000210304_200011217002 [0,2,0,0,0,0|1,0,0]=3 4815 B11R0.81 C=CCOCCC(=O)NCCO 527a_100000210304_200011217002 [0,2,0,0,0,0|1,0,0]=3 4816 B11R0.81 C=CCOCCC(=O)NNCC 22a_100000756455_200011217002 [0,2,0,0,0,0|1,0,0]=3 4817 B11R0.81 C=CCOCOC(=O)OCCC 34a_200000210373_200000139673 [0,2,0,0,0,0|1,0,0]=3 4818 B11R0.81 C=CCSCOC(=O)OCCC 62a_100000210623_200000139673 [0,2,0,0,0,0|1,0,0]=3 4819 B11R0.81 CC/C=C\CCC(=O)COCC 1458a_100000211967_100015370543 [0,2,0,0,0,0|0,0,2]=4 4820 B11R0.81 CC=CCNCC(=O)NCCC 2230a_100000174927_100000070051 [0,2,0,0,0,0|2,0,0]=4 4821 B11R0.81 CC=CCNCC(=O)NCCF 2230a_100000725713_100000070051 [0,2,0,0,0,0|2,0,0]=4 4822 B11R0.81 CC=CCSCC(=O)NCCC 62a_100000070051_100000183358 [0,2,0,0,0,0|2,0,0]=4 4823 B11R0.81 CC=CCSCC(=O)NCCC 62a_100000183358_100000070051 [0,2,0,0,0,0|2,0,0]=4 4824 B11R0.81 CC=CCSCC(=O)OCCC 62a_100000070051_200011215008 [0,2,0,0,0,0|1,0,0]=3 4825 B11R0.81 CC=CCSCC(=O)OCCC 62a_200011215008_100000070051 [0,2,0,0,0,0|1,0,0]=3 4826 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [0,2,0,0,0,0|0,0,2]=4 4827 B11R0.81 CCCCCNC(=O)COCC 11a_100000209983_100000211967 [0,2,0,0,0,0|0,0,2]=4 4828 B11R0.81 CCCCCNC(=O)COCC 1626a_100000209983_100000211967 [0,2,0,0,0,0|0,0,2]=4 4829 B11R0.81 CCCCCNC(=O)COCC 240690a_100000209983_100000211967 [0,2,0,0,0,0|0,0,2]=4 4830 B11R0.81 CCCCCNC(=O)COCC 34a_100121572206_100000230301 [0,2,0,0,0,0|0,0,2]=4 4831 B11R0.81 CCCCCNC(=O)COCC 527a_100000209983_100000211967 [0,2,0,0,0,0|0,0,2]=4 4832 B11R0.81 CCCCNCC(=O)OCCC 2230a_100000102301_200011215008 [0,2,0,0,0,0|0,0,2]=4 4833 B11R0.81 CCCCNCC(=O)OCCC 7a_106832991798_200011215008 [0,2,0,0,0,0|0,0,2]=4 4834 B11R0.81 CCCCOCC(=O)COCC 1458a_100000211967_100011995733 [0,2,0,0,0,0|0,0,2]=4 4835 B11R0.81 CCCCOCC(=O)OCCC 34a_100000210227_200011215008 [0,2,0,0,0,0|0,0,2]=4 4836 B11R0.81 CCCCOCC(=O)OCCC 7a_100000210227_200011215008 [0,2,0,0,0,0|0,0,2]=4 4837 B11R0.81 CCCCSCC(=O)OCCC 62a_100000210211_200011215008 [0,2,0,0,0,0|0,0,2]=4 4838 B11R0.81 CCCCSCC(=O)OCCC 62a_200011215008_100000210210 [0,2,0,0,0,0|0,0,2]=4 4839 B11R0.81 CCCOC(=O)CNCCCF 2230a_100015189416_200011215008 [0,2,0,0,0,0|1,0,1]=4 4840 B11R0.81 CCCOC(=O)CNCCCF 34a_100015189416_200011215008 [0,2,0,0,0,0|1,0,1]=4 4841 B11R0.81 CCCOC(=O)CNCCOC 2230a_100000209980_200011215008 [0,2,0,0,0,0|1,0,1]=4 4842 B11R0.81 CCCOC(=O)CNCCSC 2230a_100020590264_200011215008 [0,2,0,0,0,0|1,0,1]=4 4843 B11R0.81 CCCOC(=O)COCCCBr 34a_100011217188_200011215008 [0,2,0,0,0,0|1,0,1]=4 4844 B11R0.81 CCCOC(=O)COCCCCl 34a_100000230001_200011215008 [0,2,0,0,0,0|1,0,1]=4 4845 B11R0.81 CCCOC(=O)COCCCF 34a_100000759539_200011215008 [0,2,0,0,0,0|1,0,1]=4 4846 B11R0.81 CCCOC(=O)COCCCN 34a_100000182051_200011215008 [0,2,0,0,0,0|1,0,1]=4 4847 B11R0.81 CCCOC(=O)COCCOC 34a_100000210237_200011215008 [0,2,0,0,0,0|1,0,1]=4 4848 B11R0.81 CCCOC(=O)COCCON 34a_100000700252_200011215008 [0,2,0,0,0,0|2,0,0]=4 4849 B11R0.81 CCCOC(=O)COCCSC 34a_100000230434_200011215008 [0,2,0,0,0,0|1,0,1]=4 4850 B11R0.81 CCCOC(=O)COCCSC 7a_100000230434_200011215008 [0,2,0,0,0,0|1,0,1]=4 4851 B11R0.81 CCCOC(=O)CSCCC#N 62a_100011215226_200011215008 [0,2,0,0,0,0|1,0,1]=4 4852 B11R0.81 CCCOC(=O)CSCCC#N 62a_200011215008_100011215226 [0,2,0,0,0,0|1,0,1]=4 4853 B11R0.81 CCCOC(=O)CSCCCF 62a_100011934791_200011215008 [0,2,0,0,0,0|1,0,1]=4 4854 B11R0.81 CCCOC(=O)CSCCCF 62a_200011215008_100011934791 [0,2,0,0,0,0|1,0,1]=4 4855 B11R0.81 CCCOC(=O)CSCCCO 62a_100011215043_200011215008 [0,2,0,0,0,0|1,0,1]=4 4856 B11R0.81 CCCOC(=O)CSCCCO 62a_200011215008_100011215043 [0,2,0,0,0,0|1,0,1]=4 4857 B11R0.81 CCCOC(=O)CSCCOC 62a_100000233755_200011215008 [0,2,0,0,0,0|1,0,1]=4 4858 B11R0.81 CCCOC(=O)CSCCOC 62a_200011215008_100000233755 [0,2,0,0,0,0|1,0,1]=4 4859 B11R0.81 CCCOC(=O)CSCCSC 62a_100000212216_200011215008 [0,2,0,0,0,0|1,0,1]=4 4860 B11R0.81 CCCOC(=O)CSCCSC 62a_200011215008_100000751147 [0,2,0,0,0,0|1,0,1]=4 4861 B11R0.81 CCCOC(=O)OCSCC=O 62a_200015260668_200000139673 [0,2,0,0,0,0|2,0,0]=4 4862 B11R0.81 CCCOCCC(=O)COCC 1458a_100000211967_100011215938 [0,2,0,0,0,0|0,0,2]=4 4863 B11R0.81 CCOCC(=O)CCCCC#N 1458a_100000211967_100000211819 [0,2,0,0,0,0|0,0,2]=4 4864 B11R0.81 CCOCC(=O)CCCCCF 1458a_100000211967_100000729378 [0,2,0,0,0,0|0,0,2]=4 4865 B11R0.81 CCOCC(=O)CCCCCO 1458a_100000211967_100000746330 [0,2,0,0,0,0|0,0,2]=4 4866 B11R0.81 CCOCC(=O)CCCCOC 1458a_100000211967_100000755781 [0,2,0,0,0,0|0,0,2]=4 4867 B11R0.81 CCOCC(=O)CCOCC#N 1458a_100000211967_200000047693 [0,2,0,0,0,0|1,0,1]=4 4868 B11R0.81 CCOCC(=O)CCOCCO 1458a_100000211967_100011215305 [0,2,0,0,0,0|1,0,1]=4 4869 B11R0.81 CCOCC(=O)NCCCCO 240690a_100000750430_100000211967 [0,2,0,0,0,0|1,0,1]=4 4870 B11R0.81 CCOCC(=O)NCCCCO 527a_100000750430_100000211967 [0,2,0,0,0,0|1,0,1]=4 4871 B11R0.81 CCOCC(=O)NCCCOC 1626a_100150723488_100000211967 [0,2,0,0,0,0|1,0,1]=4 4872 B11R0.81 CCOCC(=O)NCCCOC 240690a_100150723488_100000211967 [0,2,0,0,0,0|1,0,1]=4 4873 B11R0.81 CCOCC(=O)NCCCOC 34a_100121572206_100000183178 [0,2,0,0,0,0|1,0,1]=4 4874 B11R0.81 CCOCC(=O)NCCCOC 527a_100150723488_100000211967 [0,2,0,0,0,0|1,0,1]=4 4875 B11R0.81 CCOCC(=O)NCCCSC 11a_100000749238_100000211967 [0,2,0,0,0,0|1,0,1]=4 4876 B11R0.81 CCOCC(=O)NCCCSC 1626a_100000749238_100000211967 [0,2,0,0,0,0|1,0,1]=4 4877 B11R0.81 CCOCC(=O)NCCCSC 240690a_100000749238_100000211967 [0,2,0,0,0,0|1,0,1]=4 4878 B11R0.81 CCOCC(=O)NCCCSC 527a_100000749238_100000211967 [0,2,0,0,0,0|1,0,1]=4 4879 B11R0.81 CCOCCCC(=O)COCC 1458a_100000211967_100012232248 [0,2,0,0,0,0|0,0,2]=4 4880 B11R0.142 C/C=C/COCC(=O)N(C)CC 34a_100016270725_100000738999 [0,2,0,0,0,0|2,0,0]=4 4881 B11R0.142 C/C=C/CSCC(=O)N(C)CC 62a_100000738999_100102629194 [0,2,0,0,0,0|2,0,0]=4 4882 B11R0.142 C/C=C/CSCC(=O)N(C)CC 62a_100102629194_100000738999 [0,2,0,0,0,0|2,0,0]=4 4883 B11R0.142 C=CCCCCC(=O)/C(=C/C)/C 1458a_100020587367_100011215482 [0,2,0,0,0,0|1,0,1]=4 4884 B11R0.142 C=CCCCCC(=O)C(=O)NC 1458a_100011218921_100011215482 [0,2,0,0,0,0|2,0,0]=4 4885 B11R0.142 C=CCCCCC(=O)C(C)CC 1458a_100011192722_100011215482 [0,2,0,0,0,0|1,0,0]=3 4886 B11R0.142 C=CCCCCC(=O)C(C)CC 1458a_100011215552_100000758301 [0,2,0,0,0,0|1,0,0]=3 4887 B11R0.142 C=CCCCCC(=O)C(C)OC 1458a_100000743197_100011215482 [0,2,0,0,0,0|2,0,0]=4 4888 B11R0.142 C=CCCCCC(=O)C(C)SC 1458a_100000149566_100011215482 [0,2,0,0,0,0|2,0,0]=4 4889 B11R0.142 C=CCCCCC(=O)C(O)CC 1458a_100011196387_100011215482 [0,2,0,0,0,0|1,0,0]=3 4890 B11R0.142 C=CCCCCC(=O)C(O)CO 1458a_100011215603_100011215482 [0,2,0,0,0,0|2,0,0]=4 4891 B11R0.142 C=CCCCCC(=O)N(C)CC 11a_100000225621_100011215552 [0,2,0,0,0,0|1,0,0]=3 4892 B11R0.142 C=CCCCCC(=O)N(C)CC 1626a_100000225621_100011215552 [0,2,0,0,0,0|1,0,0]=3 4893 B11R0.142 C=CCCCCC(=O)N(C)CC 240690a_100000225621_100011215552 [0,2,0,0,0,0|1,0,0]=3 4894 B11R0.142 C=CCCCCC(=O)N(C)CC 527a_100000225621_100011215552 [0,2,0,0,0,0|1,0,0]=3 4895 B11R0.142 C=CCCCNC(=O)/C(=C/C)/C 11a_100000700776_100020587367 [0,2,0,0,0,0|1,0,1]=4 4896 B11R0.142 C=CCCCNC(=O)/C(=C/C)/C 1626a_100000700776_100020587367 [0,2,0,0,0,0|1,0,1]=4 4897 B11R0.142 C=CCCCNC(=O)C(=O)NC 1626a_100000700776_100011218921 [0,2,0,0,0,0|2,0,0]=4 4898 B11R0.142 C=CCCCNC(=O)C(=O)NC 240690a_100000700776_100011218921 [0,2,0,0,0,0|2,0,0]=4 4899 B11R0.142 C=CCCCNC(=O)C(=O)NC 527a_100000700776_100011218921 [0,2,0,0,0,0|2,0,0]=4 4900 B11R0.142 C=CCCCNC(=O)C(=O)OC 11a_100000700776_100000024059 [0,2,0,0,0,0|2,0,0]=4 4901 B11R0.142 C=CCCCNC(=O)C(=O)OC 1626a_100000700776_100000024059 [0,2,0,0,0,0|2,0,0]=4 4902 B11R0.142 C=CCCCNC(=O)C(=O)OC 240690a_100000700776_100000024059 [0,2,0,0,0,0|2,0,0]=4 4903 B11R0.142 C=CCCCNC(=O)C(=O)OC 527a_100000700776_100000024059 [0,2,0,0,0,0|2,0,0]=4 4904 B11R0.142 C=CCCCNC(=O)C(C)CC 11a_100000700776_100011192722 [0,2,0,0,0,0|1,0,0]=3 4905 B11R0.142 C=CCCCNC(=O)C(C)CC 1626a_100000700776_100011192722 [0,2,0,0,0,0|1,0,0]=3 4906 B11R0.142 C=CCCCNC(=O)C(C)CC 240690a_100000700776_100011192722 [0,2,0,0,0,0|1,0,0]=3 4907 B11R0.142 C=CCCCNC(=O)C(C)CC 527a_100000700776_100011192722 [0,2,0,0,0,0|1,0,0]=3 4908 B11R0.142 C=CCCCNC(=O)C(C)OC 11a_100000700776_100000743197 [0,2,0,0,0,0|2,0,0]=4 4909 B11R0.142 C=CCCCNC(=O)C(C)OC 1626a_100000700776_100000743197 [0,2,0,0,0,0|2,0,0]=4 4910 B11R0.142 C=CCCCNC(=O)C(C)OC 240690a_100000700776_100000743197 [0,2,0,0,0,0|2,0,0]=4 4911 B11R0.142 C=CCCCNC(=O)C(C)OC 527a_100000700776_100000743197 [0,2,0,0,0,0|2,0,0]=4 4912 B11R0.142 C=CCCCNC(=O)C(C)SC 11a_100000700776_100000149566 [0,2,0,0,0,0|2,0,0]=4 4913 B11R0.142 C=CCCCNC(=O)C(C)SC 1626a_100000700776_100000149566 [0,2,0,0,0,0|2,0,0]=4 4914 B11R0.142 C=CCCCNC(=O)C(C)SC 240690a_100000700776_100000149566 [0,2,0,0,0,0|2,0,0]=4 4915 B11R0.142 C=CCCCNC(=O)C(C)SC 527a_100000700776_100000149566 [0,2,0,0,0,0|2,0,0]=4 4916 B11R0.142 C=CCCCNC(=O)C(O)CC 240690a_100000700776_100011196387 [0,2,0,0,0,0|1,0,0]=3 4917 B11R0.142 C=CCCCNC(=O)C(O)CO 240690a_100000700776_100011215603 [0,2,0,0,0,0|2,0,0]=4 4918 B11R0.142 C=CCCCNC(=O)N(C)CC 2708a_100000700776_100000225621 [0,2,0,0,0,0|1,0,0]=3 4919 B11R0.142 C=CCCCNC(=O)N(C)CC 273464a_100000700776_100000225621 [0,2,0,0,0,0|1,0,0]=3 4920 B11R0.142 C=CCCNCC(=O)N(C)CC 2230a_100015191253_100000738999 [0,2,0,0,0,0|1,0,0]=3 4921 B11R0.142 C=CCCNCC(=O)N(C)OC 2230a_100015191253_100000764215 [0,2,0,0,0,0|2,0,0]=4 4922 B11R0.142 C=CCCNCC(=O)N(C)OC 2230a_100015207273_100000754431 [0,2,0,0,0,0|2,0,0]=4 4923 B11R0.142 C=CCCOCC(=O)C(=O)OC 34a_100011205117_100011610305 [0,2,0,0,0,0|2,0,0]=4 4924 B11R0.142 C=CCCOCC(=O)N(C)CC 34a_100011205117_100000738999 [0,2,0,0,0,0|1,0,0]=3 4925 B11R0.142 C=CCCSCC(=O)C(=O)OC 62a_100000754431_100011610305 [0,2,0,0,0,0|2,0,0]=4 4926 B11R0.142 C=CCCSCC(=O)C(=O)OC 62a_100011610305_100000754431 [0,2,0,0,0,0|2,0,0]=4 4927 B11R0.142 C=CCCSCC(=O)N(C)CC 62a_100000738999_100000754431 [0,2,0,0,0,0|1,0,0]=3 4928 B11R0.142 C=CCCSCC(=O)N(C)CC 62a_100000754431_100000738999 [0,2,0,0,0,0|1,0,0]=3 4929 B11R0.142 C=CCCSCC(=O)N(C)OC 62a_100000754431_100000764215 [0,2,0,0,0,0|2,0,0]=4 4930 B11R0.142 C=CCCSCC(=O)N(C)OC 62a_100000764215_100000754431 [0,2,0,0,0,0|2,0,0]=4 4931 B11R0.142 C=CCOCCC(=O)C(C)CC 1458a_200011217002_100000758301 [0,2,0,0,0,0|1,0,0]=3 4932 B11R0.142 C=CCOCCC(=O)N(C)CC 11a_100000225621_200011217002 [0,2,0,0,0,0|1,0,0]=3 4933 B11R0.142 C=CCOCCC(=O)N(C)CC 1626a_100000225621_200011217002 [0,2,0,0,0,0|1,0,0]=3 4934 B11R0.142 C=CCOCCC(=O)N(C)CC 240690a_100000225621_200011217002 [0,2,0,0,0,0|1,0,0]=3 4935 B11R0.142 C=CCOCCC(=O)N(C)CC 527a_100000225621_200011217002 [0,2,0,0,0,0|1,0,0]=3 4936 B11R0.142 CC=CCSCC(=O)N(C)CC 62a_100000070051_100000738999 [0,2,0,0,0,0|2,0,0]=4 4937 B11R0.142 CC=CCSCC(=O)N(C)CC 62a_100000738999_100000070051 [0,2,0,0,0,0|2,0,0]=4 4938 B11R0.155 C#CCCCC(=O)C(C)OCC 1458a_100000739345_100000731252 [0,2,0,0,0,0|0,0,2]=4 4939 B11R0.155 C#CCCNC(C)C(=O)OCC 34a_100000755551_100011216346 [0,2,0,0,0,0|0,0,2]=4 4940 B11R0.155 C#CCCNC(F)C(=O)OCC 34a_100000755551_100000760018 [0,2,0,0,0,0|0,0,2]=4 4941 B11R0.155 C#CCCOC(C)C(=O)OCC 34a_100011215631_100011216346 [0,2,0,0,0,0|0,0,2]=4 4942 B11R0.155 C#CCCOC(F)C(=O)OCC 34a_100011215631_100000760018 [0,2,0,0,0,0|0,0,2]=4 4943 B11R0.155 C#CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000688953 [0,2,0,0,0,0|0,0,2]=4 4944 B11R0.155 C#CCCSC(C)C(=O)OCC 62a_100000688953_100011216346 [0,2,0,0,0,0|0,0,2]=4 4945 B11R0.155 C#CCCSC(C)C(=O)OCC 62a_100011216346_100000688953 [0,2,0,0,0,0|0,0,2]=4 4946 B11R0.155 C#CCCSC(F)C(=O)OCC 62a_100000688953_100000760018 [0,2,0,0,0,0|0,0,2]=4 4947 B11R0.155 C#CCCSC(F)C(=O)OCC 62a_100000760018_100000688953 [0,2,0,0,0,0|0,0,2]=4 4948 B11R0.155 C#CCN(C)C(=O)CCCC=C 11a_100000225692_100000766728 [0,2,0,0,0,0|1,0,1]=4 4949 B11R0.155 C#CCN(C)C(=O)CCCC=C 1626a_100000225692_100000766728 [0,2,0,0,0,0|1,0,1]=4 4950 B11R0.155 C#CCN(C)C(=O)CCCC=C 527a_100000225692_100000766728 [0,2,0,0,0,0|1,0,1]=4 4951 B11R0.155 C/C=C/CNC(C)C(=O)NCC 34a_100000736553_100102629194 [0,2,0,0,0,0|2,0,0]=4 4952 B11R0.155 C/C=C/COC(C)C(=O)NCC 34a_100016270725_100000230173 [0,2,0,0,0,0|2,0,0]=4 4953 B11R0.155 C/C=C/COC(C)C(=O)OCC 34a_100016270725_100011216346 [0,2,0,0,0,0|1,0,0]=3 4954 B11R0.155 C/C=C/COC(F)C(=O)OCC 34a_100016270725_100000760018 [0,2,0,0,0,0|1,0,0]=3 4955 B11R0.155 C/C=C/CO[C@@H](C)C(=O)OCC 7a_100000751109_100102629194 [0,2,0,0,0,0|1,0,0]=3 4956 B11R0.155 C/C=C/CSC(C)C(=O)NCC 62a_100000230173_100102629194 [0,2,0,0,0,0|2,0,0]=4 4957 B11R0.155 C/C=C/CSC(C)C(=O)NCC 62a_100102629194_100000230173 [0,2,0,0,0,0|2,0,0]=4 4958 B11R0.155 C/C=C/CSC(C)C(=O)OCC 62a_100011216346_100102629194 [0,2,0,0,0,0|1,0,0]=3 4959 B11R0.155 C/C=C/CSC(C)C(=O)OCC 62a_100102629194_100011216346 [0,2,0,0,0,0|1,0,0]=3 4960 B11R0.155 C/C=C/CSC(F)C(=O)OCC 62a_100000760018_100102629194 [0,2,0,0,0,0|1,0,0]=3 4961 B11R0.155 C/C=C/CSC(F)C(=O)OCC 62a_100102629194_100000760018 [0,2,0,0,0,0|1,0,0]=3 4962 B11R0.155 C=C(CSCC=O)C(=O)OCC 62a_100000755967_200015260668 [0,2,0,0,0,0|1,0,1]=4 4963 B11R0.155 C=C(CSCC=O)C(=O)OCC 62a_200015260668_100000755967 [0,2,0,0,0,0|1,0,1]=4 4964 B11R0.155 C=CCCCC(=O)/C(=C/CC)/C 1458a_100016988807_100000757094 [0,2,0,0,0,0|1,0,0]=3 4965 B11R0.155 C=CCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000757094 [0,2,0,0,0,0|2,0,0]=4 4966 B11R0.155 C=CCCCC(=O)C(=O)NCC 1458a_200011297158_100000757094 [0,2,0,0,0,0|1,0,0]=3 4967 B11R0.155 C=CCCCC(=O)C(C)CC#N 1458a_100000766728_100009813641 [0,2,0,0,0,0|1,0,1]=4 4968 B11R0.155 C=CCCCC(=O)C(C)CC=C 1458a_100011216819_100000757094 [0,2,0,0,0,0|1,0,1]=4 4969 B11R0.155 C=CCCCC(=O)C(C)CCC 1458a_100000210906_100000757094 [0,2,0,0,0,0|1,0,0]=3 4970 B11R0.155 C=CCCCC(=O)C(C)CCC 1458a_100000766728_100000766640 [0,2,0,0,0,0|1,0,0]=3 4971 B11R0.155 C=CCCCC(=O)C(C)CCO 1458a_100000766728_100009893172 [0,2,0,0,0,0|1,0,0]=3 4972 B11R0.155 C=CCCCC(=O)C(C)COC 1458a_100000751857_100000757094 [0,2,0,0,0,0|1,0,0]=3 4973 B11R0.155 C=CCCCC(=O)C(C)COC 1458a_100000766728_100000765312 [0,2,0,0,0,0|1,0,0]=3 4974 B11R0.155 C=CCCCC(=O)C(C)CSC 1458a_100000753918_100000757094 [0,2,0,0,0,0|1,0,0]=3 4975 B11R0.155 C=CCCCC(=O)C(C)OCC 1458a_100000739345_100000757094 [0,2,0,0,0,0|0,0,0]=2 4976 B11R0.155 C=CCCCC(=O)C(C)SCC 1458a_100000230601_100000757094 [0,2,0,0,0,0|0,1,0]=3 4977 B11R0.155 C=CCCCC(=O)N(C)CC#N 11a_100000748184_100000766728 [0,2,0,0,0,0|1,0,1]=4 4978 B11R0.155 C=CCCCC(=O)N(C)CC#N 1626a_100000748184_100000766728 [0,2,0,0,0,0|1,0,1]=4 4979 B11R0.155 C=CCCCC(=O)N(C)CC=C 11a_100000225617_100000766728 [0,2,0,0,0,0|1,0,1]=4 4980 B11R0.155 C=CCCCC(=O)N(C)CC=C 1626a_100000225617_100000766728 [0,2,0,0,0,0|1,0,1]=4 4981 B11R0.155 C=CCCCC(=O)N(C)CC=C 240690a_100000225617_100000766728 [0,2,0,0,0,0|1,0,1]=4 4982 B11R0.155 C=CCCCC(=O)N(C)CC=C 527a_100000225617_100000766728 [0,2,0,0,0,0|1,0,1]=4 4983 B11R0.155 C=CCCCC(=O)N(C)CCC 11a_100000747261_100000766728 [0,2,0,0,0,0|1,0,0]=3 4984 B11R0.155 C=CCCCC(=O)N(C)CCC 1626a_100000747261_100000766728 [0,2,0,0,0,0|1,0,0]=3 4985 B11R0.155 C=CCCCC(=O)N(C)CCC 240690a_100000747261_100000766728 [0,2,0,0,0,0|1,0,0]=3 4986 B11R0.155 C=CCCCC(=O)N(C)CCC 527a_100000747261_100000766728 [0,2,0,0,0,0|1,0,0]=3 4987 B11R0.155 C=CCCCC(=O)N(C)CCO 240690a_100000210263_100000766728 [0,2,0,0,0,0|1,0,0]=3 4988 B11R0.155 C=CCCCC(=O)N(C)CCO 527a_100000210263_100000766728 [0,2,0,0,0,0|1,0,0]=3 4989 B11R0.155 C=CCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000757094 [0,2,0,0,0,0|1,0,0]=3 4990 B11R0.155 C=CCCNC(=O)/C(=C/CC)/C 11a_100015191253_100016988807 [0,2,0,0,0,0|2,0,0]=4 4991 B11R0.155 C=CCCNC(=O)/C(=C/CC)/C 1626a_100015191253_100016988807 [0,2,0,0,0,0|2,0,0]=4 4992 B11R0.155 C=CCCNC(=O)/C(=C/CC)/C 240690a_100015191253_100016988807 [0,2,0,0,0,0|2,0,0]=4 4993 B11R0.155 C=CCCNC(=O)/C(=C/CC)/C 527a_100015191253_100016988807 [0,2,0,0,0,0|2,0,0]=4 4994 B11R0.155 C=CCCNC(=O)C(=O)NCC 1626a_100015191253_200011297158 [0,2,0,0,0,0|1,0,1]=4 4995 B11R0.155 C=CCCNC(=O)C(=O)NCC 240690a_100015191253_200011297158 [0,2,0,0,0,0|1,0,1]=4 4996 B11R0.155 C=CCCNC(=O)C(=O)NCC 527a_100015191253_200011297158 [0,2,0,0,0,0|1,0,1]=4 4997 B11R0.155 C=CCCNC(=O)C(=O)OCC 11a_100015191253_100014798877 [0,2,0,0,0,0|0,0,1]=3 4998 B11R0.155 C=CCCNC(=O)C(=O)OCC 1626a_100015191253_100014798877 [0,2,0,0,0,0|0,0,1]=3 4999 B11R0.155 C=CCCNC(=O)C(=O)OCC 240690a_100015191253_100014798877 [0,2,0,0,0,0|0,0,1]=3 5000 B11R0.155 C=CCCNC(=O)C(C)CCC 11a_100015191253_100000210906 [0,2,0,0,0,0|2,0,0]=4 5001 B11R0.155 C=CCCNC(=O)C(C)CCC 1626a_100015191253_100000210906 [0,2,0,0,0,0|2,0,0]=4 5002 B11R0.155 C=CCCNC(=O)C(C)CCC 240690a_100015191253_100000210906 [0,2,0,0,0,0|2,0,0]=4 5003 B11R0.155 C=CCCNC(=O)C(C)CCC 527a_100015191253_100000210906 [0,2,0,0,0,0|2,0,0]=4 5004 B11R0.155 C=CCCNC(=O)C(C)COC 11a_100015191253_100000751857 [0,2,0,0,0,0|2,0,0]=4 5005 B11R0.155 C=CCCNC(=O)C(C)COC 1626a_100015191253_100000751857 [0,2,0,0,0,0|2,0,0]=4 5006 B11R0.155 C=CCCNC(=O)C(C)COC 240690a_100015191253_100000751857 [0,2,0,0,0,0|2,0,0]=4 5007 B11R0.155 C=CCCNC(=O)C(C)COC 527a_100015191253_100000751857 [0,2,0,0,0,0|2,0,0]=4 5008 B11R0.155 C=CCCNC(=O)C(C)CSC 11a_100015191253_100000753918 [0,2,0,0,0,0|2,0,0]=4 5009 B11R0.155 C=CCCNC(=O)C(C)CSC 1626a_100015191253_100000753918 [0,2,0,0,0,0|2,0,0]=4 5010 B11R0.155 C=CCCNC(=O)C(C)CSC 240690a_100015191253_100000753918 [0,2,0,0,0,0|2,0,0]=4 5011 B11R0.155 C=CCCNC(=O)C(C)CSC 527a_100015191253_100000753918 [0,2,0,0,0,0|2,0,0]=4 5012 B11R0.155 C=CCCNC(=O)C(C)OCC 11a_100015191253_100000739345 [0,2,0,0,0,0|1,0,0]=3 5013 B11R0.155 C=CCCNC(=O)C(C)OCC 1626a_100015191253_100000739345 [0,2,0,0,0,0|1,0,0]=3 5014 B11R0.155 C=CCCNC(=O)C(C)OCC 240690a_100015191253_100000739345 [0,2,0,0,0,0|1,0,0]=3 5015 B11R0.155 C=CCCNC(=O)C(C)OCC 527a_100015191253_100000739345 [0,2,0,0,0,0|1,0,0]=3 5016 B11R0.155 C=CCCNC(=O)C(C)SCC 11a_100015191253_100000230601 [0,2,0,0,0,0|1,1,0]=4 5017 B11R0.155 C=CCCNC(=O)C(C)SCC 1626a_100015191253_100000230601 [0,2,0,0,0,0|1,1,0]=4 5018 B11R0.155 C=CCCNC(=O)C(C)SCC 240690a_100015191253_100000230601 [0,2,0,0,0,0|1,1,0]=4 5019 B11R0.155 C=CCCNC(=O)C(C)SCC 527a_100015191253_100000230601 [0,2,0,0,0,0|1,1,0]=4 5020 B11R0.155 C=CCCNC(=O)N(C)CCC 2708a_100015191253_100000747261 [0,2,0,0,0,0|2,0,0]=4 5021 B11R0.155 C=CCCNC(=O)N(C)CCC 273464a_100015191253_100000747261 [0,2,0,0,0,0|2,0,0]=4 5022 B11R0.155 C=CCCNC(=O)N(C)CCO 2708a_100015191253_100000210263 [0,2,0,0,0,0|2,0,0]=4 5023 B11R0.155 C=CCCNC(=O)N(C)CCO 273464a_100015191253_100000210263 [0,2,0,0,0,0|2,0,0]=4 5024 B11R0.155 C=CCCNC(=O)[C@@H](O)CCC 240690a_100015191253_100009822183 [0,2,0,0,0,0|2,0,0]=4 5025 B11R0.155 C=CCCNC(C)C(=O)NCC 2230a_100000736553_100000754431 [0,2,0,0,0,0|1,0,0]=3 5026 B11R0.155 C=CCCNC(C)C(=O)NCC 2230a_100015191253_100000230173 [0,2,0,0,0,0|1,0,0]=3 5027 B11R0.155 C=CCCNC(C)C(=O)NCC 34a_100000736553_100000754431 [0,2,0,0,0,0|1,0,0]=3 5028 B11R0.155 C=CCCNC(C)C(=O)OCC 2230a_100015191253_100011215307 [0,2,0,0,0,0|0,0,0]=2 5029 B11R0.155 C=CCCNC(F)C(=O)OCC 2230a_100015191253_100000760018 [0,2,0,0,0,0|0,0,0]=2 5030 B11R0.155 C=CCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000754431 [0,2,0,0,0,0|0,1,0]=3 5031 B11R0.155 C=CCCOC(C)C(=O)NCC 34a_100011205117_100000230173 [0,2,0,0,0,0|1,0,0]=3 5032 B11R0.155 C=CCCOC(C)C(=O)OCC 34a_100011205117_100011216346 [0,2,0,0,0,0|0,0,0]=2 5033 B11R0.155 C=CCCOC(F)C(=O)OCC 34a_100011205117_100000760018 [0,2,0,0,0,0|0,0,0]=2 5034 B11R0.155 C=CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000754431 [0,2,0,0,0,0|0,0,0]=2 5035 B11R0.155 C=CCCSC(C)C(=O)NCC 62a_100000230173_100000754431 [0,2,0,0,0,0|1,0,0]=3 5036 B11R0.155 C=CCCSC(C)C(=O)NCC 62a_100000754431_100000230173 [0,2,0,0,0,0|1,0,0]=3 5037 B11R0.155 C=CCCSC(C)C(=O)OCC 62a_100000754431_100011216346 [0,2,0,0,0,0|0,0,0]=2 5038 B11R0.155 C=CCCSC(C)C(=O)OCC 62a_100011216346_100000754431 [0,2,0,0,0,0|0,0,0]=2 5039 B11R0.155 C=CCCSC(F)C(=O)OCC 62a_100000754431_100000760018 [0,2,0,0,0,0|0,0,0]=2 5040 B11R0.155 C=CCCSC(F)C(=O)OCC 62a_100000760018_100000754431 [0,2,0,0,0,0|0,0,0]=2 5041 B11R0.155 C=CCNNC(=O)C(C)OCC 22a_100020588587_100000739345 [0,2,0,0,0,0|2,0,0]=4 5042 B11R0.155 C=CCOCC(=C)C(=O)OCC 34a_200000210373_100000755967 [0,2,0,0,0,0|0,0,1]=3 5043 B11R0.155 C=CCSCC(=C)C(=O)OCC 62a_100000210623_100000755967 [0,2,0,0,0,0|0,0,1]=3 5044 B11R0.155 C=CCSCC(=C)C(=O)OCC 62a_100000755967_100000210623 [0,2,0,0,0,0|0,0,1]=3 5045 B11R0.155 C=CCSCC(=O)C(=O)OCC 62a_100000210623_100000211299 [0,2,0,0,0,0|0,0,1]=3 5046 B11R0.155 C=CCSCC(=O)C(=O)OCC 62a_100000211299_100000210623 [0,2,0,0,0,0|0,0,1]=3 5047 B11R0.155 C=CCSCC(=O)C(C)CCC 1458a_100000230395_100000766640 [0,2,0,0,0,0|2,0,0]=4 5048 B11R0.155 C=CCSCC(=O)C(C)CCO 1458a_100000230395_100009893172 [0,2,0,0,0,0|2,0,0]=4 5049 B11R0.155 C=CCSCC(=O)C(C)COC 1458a_100000230395_100000765312 [0,2,0,0,0,0|2,0,0]=4 5050 B11R0.155 C=CCSCC(=O)N(C)CCC 11a_100000747261_100000230395 [0,2,0,0,0,0|2,0,0]=4 5051 B11R0.155 C=CCSCC(=O)N(C)CCC 1626a_100000747261_100000230395 [0,2,0,0,0,0|2,0,0]=4 5052 B11R0.155 C=CCSCC(=O)N(C)CCC 240690a_100000747261_100000230395 [0,2,0,0,0,0|2,0,0]=4 5053 B11R0.155 C=CCSCC(=O)N(C)CCC 527a_100000747261_100000230395 [0,2,0,0,0,0|2,0,0]=4 5054 B11R0.155 C=CCSCC(=O)N(C)CCO 240690a_100000210263_100000230395 [0,2,0,0,0,0|2,0,0]=4 5055 B11R0.155 C=CCSCC(=O)N(C)CCO 527a_100000210263_100000230395 [0,2,0,0,0,0|2,0,0]=4 5056 B11R0.155 C=COCCC(=O)/C(=C/CC)/C 1458a_100016988807_100000039644 [0,2,0,0,0,0|2,0,0]=4 5057 B11R0.155 C=COCCC(=O)C(=O)NCC 1458a_200011297158_100000039644 [0,2,0,0,0,0|1,0,1]=4 5058 B11R0.155 C=COCCC(=O)C(C)CCC 1458a_100000210906_100000039644 [0,2,0,0,0,0|2,0,0]=4 5059 B11R0.155 C=COCCC(=O)C(C)COC 1458a_100000751857_100000039644 [0,2,0,0,0,0|2,0,0]=4 5060 B11R0.155 C=COCCC(=O)C(C)CSC 1458a_100000753918_100000039644 [0,2,0,0,0,0|2,0,0]=4 5061 B11R0.155 C=COCCC(=O)C(C)OCC 1458a_100000739345_100000039644 [0,2,0,0,0,0|1,0,0]=3 5062 B11R0.155 C=COCCC(=O)C(C)SCC 1458a_100000230601_100000039644 [0,2,0,0,0,0|1,1,0]=4 5063 B11R0.155 C=COCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000039644 [0,2,0,0,0,0|2,0,0]=4 5064 B11R0.155 CC=CCNC(C)C(=O)NCC 2230a_100000736553_100000070051 [0,2,0,0,0,0|2,0,0]=4 5065 B11R0.155 CC=CCNC(C)C(=O)NCC 34a_100000736553_100000070051 [0,2,0,0,0,0|2,0,0]=4 5066 B11R0.155 CC=CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000070051 [0,2,0,0,0,0|1,1,0]=4 5067 B11R0.155 CC=CCO[C@@H](C)C(=O)OCC 7a_100000751109_100000070051 [0,2,0,0,0,0|1,0,0]=3 5068 B11R0.155 CC=CCSC(C)C(=O)NCC 62a_100000070051_100000230173 [0,2,0,0,0,0|2,0,0]=4 5069 B11R0.155 CC=CCSC(C)C(=O)NCC 62a_100000230173_100000070051 [0,2,0,0,0,0|2,0,0]=4 5070 B11R0.155 CC=CCSC(C)C(=O)OCC 62a_100000070051_100011216346 [0,2,0,0,0,0|1,0,0]=3 5071 B11R0.155 CC=CCSC(C)C(=O)OCC 62a_100011216346_100000070051 [0,2,0,0,0,0|1,0,0]=3 5072 B11R0.155 CC=CCSC(F)C(=O)OCC 62a_100000070051_100000760018 [0,2,0,0,0,0|1,0,0]=3 5073 B11R0.155 CC=CCSC(F)C(=O)OCC 62a_100000760018_100000070051 [0,2,0,0,0,0|1,0,0]=3 5074 B11R0.155 CCCCCC(=O)C(C)OCC 1458a_100000739345_100000210326 [0,2,0,0,0,0|0,0,2]=4 5075 B11R0.155 CCCCNC(C)C(=O)OCC 2230a_100000102301_100011215307 [0,2,0,0,0,0|0,0,2]=4 5076 B11R0.155 CCCCNC(C)C(=O)OCC 7a_106832991798_100011216346 [0,2,0,0,0,0|0,0,2]=4 5077 B11R0.155 CCCCNC(F)C(=O)OCC 2230a_100000102301_100000760018 [0,2,0,0,0,0|0,0,2]=4 5078 B11R0.155 CCCCNC(F)C(=O)OCC 7a_106832991798_100000040065 [0,2,0,0,0,0|0,0,2]=4 5079 B11R0.155 CCCCOC(C)C(=O)OCC 34a_100000210227_100011216346 [0,2,0,0,0,0|0,0,2]=4 5080 B11R0.155 CCCCOC(C)C(=O)OCC 7a_100000210227_100011216346 [0,2,0,0,0,0|0,0,2]=4 5081 B11R0.155 CCCCOC(F)C(=O)OCC 34a_100000210227_100000760018 [0,2,0,0,0,0|0,0,2]=4 5082 B11R0.155 CCCCOC(F)C(=O)OCC 7a_100000210227_100000040065 [0,2,0,0,0,0|0,0,2]=4 5083 B11R0.155 CCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210211 [0,2,0,0,0,0|0,0,2]=4 5084 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100000210211_100011216346 [0,2,0,0,0,0|0,0,2]=4 5085 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100011216346_100000210210 [0,2,0,0,0,0|0,0,2]=4 5086 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000210211_100000760018 [0,2,0,0,0,0|0,0,2]=4 5087 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000760018_100000210210 [0,2,0,0,0,0|0,0,2]=4 5088 B11R0.155 CCOC(=O)C(=O)CSCC=O 62a_100000211299_200015260668 [0,2,0,0,0,0|1,0,1]=4 5089 B11R0.155 CCOC(=O)C(=O)CSCC=O 62a_200015260668_100000211299 [0,2,0,0,0,0|1,0,1]=4 5090 B11R0.155 CCOC(=O)C(C)NCCCF 2230a_100015189416_100011215307 [0,2,0,0,0,0|1,0,1]=4 5091 B11R0.155 CCOC(=O)C(C)NCCCF 34a_100015189416_100011216346 [0,2,0,0,0,0|1,0,1]=4 5092 B11R0.155 CCOC(=O)C(C)NCCOC 2230a_100000209980_100011215307 [0,2,0,0,0,0|1,0,1]=4 5093 B11R0.155 CCOC(=O)C(C)NCCSC 2230a_100020590264_100011215307 [0,2,0,0,0,0|1,0,1]=4 5094 B11R0.155 CCOC(=O)C(C)OCCCBr 34a_100011217188_100011216346 [0,2,0,0,0,0|1,0,1]=4 5095 B11R0.155 CCOC(=O)C(C)OCCCCl 34a_100000230001_100011216346 [0,2,0,0,0,0|1,0,1]=4 5096 B11R0.155 CCOC(=O)C(C)OCCCF 34a_100000759539_100011216346 [0,2,0,0,0,0|1,0,1]=4 5097 B11R0.155 CCOC(=O)C(C)OCCCN 34a_100000182051_100011216346 [0,2,0,0,0,0|1,0,1]=4 5098 B11R0.155 CCOC(=O)C(C)OCCOC 34a_100000210237_100011216346 [0,2,0,0,0,0|1,0,1]=4 5099 B11R0.155 CCOC(=O)C(C)OCCON 34a_100000700252_100011216346 [0,2,0,0,0,0|2,0,0]=4 5100 B11R0.155 CCOC(=O)C(C)OCCSC 34a_100000230434_100011216346 [0,2,0,0,0,0|1,0,1]=4 5101 B11R0.155 CCOC(=O)C(C)OCCSC 7a_100000230434_100011216346 [0,2,0,0,0,0|1,0,1]=4 5102 B11R0.155 CCOC(=O)C(C)SCCC#N 62a_100011215226_100011216346 [0,2,0,0,0,0|1,0,1]=4 5103 B11R0.155 CCOC(=O)C(C)SCCC#N 62a_100011216346_100011215226 [0,2,0,0,0,0|1,0,1]=4 5104 B11R0.155 CCOC(=O)C(C)SCCCF 62a_100011216346_100011934791 [0,2,0,0,0,0|1,0,1]=4 5105 B11R0.155 CCOC(=O)C(C)SCCCF 62a_100011934791_100011216346 [0,2,0,0,0,0|1,0,1]=4 5106 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011215043_100011216346 [0,2,0,0,0,0|1,0,1]=4 5107 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011216346_100011215043 [0,2,0,0,0,0|1,0,1]=4 5108 B11R0.155 CCOC(=O)C(C)SCCOC 62a_100000233755_100011216346 [0,2,0,0,0,0|1,0,1]=4 5109 B11R0.155 CCOC(=O)C(C)SCCOC 62a_100011216346_100000233755 [0,2,0,0,0,0|1,0,1]=4 5110 B11R0.155 CCOC(=O)C(C)SCCSC 62a_100000212216_100011216346 [0,2,0,0,0,0|1,0,1]=4 5111 B11R0.155 CCOC(=O)C(C)SCCSC 62a_100011216346_100000751147 [0,2,0,0,0,0|1,0,1]=4 5112 B11R0.155 CCOC(=O)C(F)NCCCF 2230a_100015189416_100000760018 [0,2,0,0,0,0|1,0,1]=4 5113 B11R0.155 CCOC(=O)C(F)NCCCF 34a_100015189416_100000760018 [0,2,0,0,0,0|1,0,1]=4 5114 B11R0.155 CCOC(=O)C(F)NCCOC 2230a_100000209980_100000760018 [0,2,0,0,0,0|1,0,1]=4 5115 B11R0.155 CCOC(=O)C(F)NCCSC 2230a_100020590264_100000760018 [0,2,0,0,0,0|1,0,1]=4 5116 B11R0.155 CCOC(=O)C(F)OCCCBr 34a_100011217188_100000760018 [0,2,0,0,0,0|1,0,1]=4 5117 B11R0.155 CCOC(=O)C(F)OCCCCl 34a_100000230001_100000760018 [0,2,0,0,0,0|1,0,1]=4 5118 B11R0.155 CCOC(=O)C(F)OCCCF 34a_100000759539_100000760018 [0,2,0,0,0,0|1,0,1]=4 5119 B11R0.155 CCOC(=O)C(F)OCCCN 34a_100000182051_100000760018 [0,2,0,0,0,0|1,0,1]=4 5120 B11R0.155 CCOC(=O)C(F)OCCOC 34a_100000210237_100000760018 [0,2,0,0,0,0|1,0,1]=4 5121 B11R0.155 CCOC(=O)C(F)OCCON 34a_100000700252_100000760018 [0,2,0,0,0,0|2,0,0]=4 5122 B11R0.155 CCOC(=O)C(F)OCCSC 34a_100000230434_100000760018 [0,2,0,0,0,0|1,0,1]=4 5123 B11R0.155 CCOC(=O)C(F)OCCSC 7a_100000230434_100000040065 [0,2,0,0,0,0|1,0,1]=4 5124 B11R0.155 CCOC(=O)C(F)SCCC#N 62a_100000760018_100011215226 [0,2,0,0,0,0|1,0,1]=4 5125 B11R0.155 CCOC(=O)C(F)SCCC#N 62a_100011215226_100000760018 [0,2,0,0,0,0|1,0,1]=4 5126 B11R0.155 CCOC(=O)C(F)SCCCF 62a_100000760018_100011934791 [0,2,0,0,0,0|1,0,1]=4 5127 B11R0.155 CCOC(=O)C(F)SCCCF 62a_100011934791_100000760018 [0,2,0,0,0,0|1,0,1]=4 5128 B11R0.155 CCOC(=O)C(F)SCCCO 62a_100000760018_100011215043 [0,2,0,0,0,0|1,0,1]=4 5129 B11R0.155 CCOC(=O)C(F)SCCCO 62a_100011215043_100000760018 [0,2,0,0,0,0|1,0,1]=4 5130 B11R0.155 CCOC(=O)C(F)SCCOC 62a_100000233755_100000760018 [0,2,0,0,0,0|1,0,1]=4 5131 B11R0.155 CCOC(=O)C(F)SCCOC 62a_100000760018_100000233755 [0,2,0,0,0,0|1,0,1]=4 5132 B11R0.155 CCOC(=O)C(F)SCCSC 62a_100000212216_100000760018 [0,2,0,0,0,0|1,0,1]=4 5133 B11R0.155 CCOC(=O)C(F)SCCSC 62a_100000760018_100000751147 [0,2,0,0,0,0|1,0,1]=4 5134 B11R0.155 CCOC(=O)[C@H](C)OCCC#N 7a_100000751109_100000184422 [0,2,0,0,0,0|1,0,1]=4 5135 B11R0.155 CCOC(=O)[C@H](C)OCCCF 7a_100000751109_100011934791 [0,2,0,0,0,0|1,0,1]=4 5136 B11R0.155 CCOC(=O)[C@H](C)OCCCO 7a_100000751109_100011215043 [0,2,0,0,0,0|1,0,1]=4 5137 B11R0.155 CCOC(=O)[C@H](C)OCCOC 7a_100000751109_100000233755 [0,2,0,0,0,0|1,0,1]=4 5138 B11R0.155 CCOC(=O)[C@H](C)OCCSC 7a_100000751109_100000212216 [0,2,0,0,0,0|1,0,1]=4 5139 B11R0.155 CCOC(C)C(=O)CCCC#N 1458a_100000739345_100000211468 [0,2,0,0,0,0|1,0,1]=4 5140 B11R0.155 CCOC(C)C(=O)CCCCF 1458a_100000739345_100000729493 [0,2,0,0,0,0|1,0,1]=4 5141 B11R0.155 CCOC(C)C(=O)CCCCO 1458a_100000739345_100000210776 [0,2,0,0,0,0|1,0,1]=4 5142 B11R0.155 CCOC(C)C(=O)CCCOC 1458a_100000739345_100000740836 [0,2,0,0,0,0|1,0,1]=4 5143 B11R0.161 C=CCCNCC(CC)OCC 2230a_100015183923_100000754431 [0,2,0,0,0,0|1,0,1]=4 5144 B11R0.161 C=CCCNCC(CC)OCC 34a_100015183923_100000754431 [0,2,0,0,0,0|1,0,1]=4 5145 B11R0.174 C#CC(=O)CCCC(=O)OCC 1458a_100000211873_100011215271 [0,2,0,0,0,0|0,0,1]=3 5146 B11R0.174 C#CC(=O)CCNC(=O)OCC 1458a_100000211873_200011445536 [0,2,0,0,0,0|1,0,1]=4 5147 B11R0.174 C#CC(C)NCCC(=O)OCC 2230a_100000707721_100011206558 [0,2,0,0,0,0|0,0,2]=4 5148 B11R0.174 C#CC(C)NCCC(=O)OCC 34a_100000707721_100000765890 [0,2,0,0,0,0|0,0,2]=4 5149 B11R0.174 C#CC(C)SCCC(=O)OCC 62a_200000035995_100000765890 [0,2,0,0,0,0|0,0,2]=4 5150 B11R0.174 C#C[C@@H](C)OCCC(=O)OCC 34a_100009815206_100000765890 [0,2,0,0,0,0|0,0,2]=4 5151 B11R0.174 C#C[C@@H](C)OCCC(=O)OCC 7a_100009815206_100011206558 [0,2,0,0,0,0|0,0,2]=4 5152 B11R0.174 C=C(C#N)CNCC(=O)NCC 2230a_100016988866_100000694840 [0,2,0,0,0,0|2,0,0]=4 5153 B11R0.174 C=C(C#N)CSCC(=O)CCC 62a_100000747444_100000694840 [0,2,0,0,0,0|2,0,0]=4 5154 B11R0.174 C=C(C#N)CSCC(=O)NCC 62a_100000183381_100000694840 [0,2,0,0,0,0|2,0,0]=4 5155 B11R0.174 C=C(C#N)CSCC(=O)OCC 62a_100000188475_100000694840 [0,2,0,0,0,0|1,0,0]=3 5156 B11R0.174 C=CC(=O)CCCC(=O)OCC 1458a_100000185746_100011215271 [0,2,0,0,0,0|0,0,0]=2 5157 B11R0.174 C=CC(=O)CCNC(=O)OCC 1458a_100000185746_200011445536 [0,2,0,0,0,0|0,0,1]=3 5158 B11R0.174 C=CC(=O)NCCC(=O)NCC 1626a_100025743525_100000185746 [0,2,0,0,0,0|1,0,1]=4 5159 B11R0.174 C=CC(=O)NCCC(=O)NCC 240690a_100025743525_200121576911 [0,2,0,0,0,0|1,0,1]=4 5160 B11R0.174 C=CC(=O)OCCC(=O)CCC 1458a_100000065099_100000210303 [0,2,0,0,0,0|1,0,1]=4 5161 B11R0.174 C=CC(=O)OCCC(=O)CCC 1458a_100000211992_100009813456 [0,2,0,0,0,0|1,0,1]=4 5162 B11R0.174 C=CC(=O)OCCC(=O)NCC 240690a_100015525214_100000065099 [0,2,0,0,0,0|1,0,1]=4 5163 B11R0.174 C=CC(C)COCC(=O)CCC 7a_100011215527_100000747444 [0,2,0,0,0,0|1,0,0]=3 5164 B11R0.174 C=CC(C)COCC(=O)NCC 34a_100011215527_100000183381 [0,2,0,0,0,0|1,0,0]=3 5165 B11R0.174 C=CC(C)COCC(=O)NCC 7a_100011215527_100000183381 [0,2,0,0,0,0|1,0,0]=3 5166 B11R0.174 C=CC(C)COCC(=O)NCO 34a_100011215527_100000185155 [0,2,0,0,0,0|2,0,0]=4 5167 B11R0.174 C=CC(C)COCC(=O)NCO 7a_100011215527_100000185155 [0,2,0,0,0,0|2,0,0]=4 5168 B11R0.174 C=CC(C)COCC(=O)OCC 34a_100011215527_100000188475 [0,2,0,0,0,0|0,0,0]=2 5169 B11R0.174 C=CC(C)COCC(=O)OCC 7a_100011215527_100000188475 [0,2,0,0,0,0|0,0,0]=2 5170 B11R0.174 C=CC(C)OCCC(=O)OCC 34a_100000695699_100000765890 [0,2,0,0,0,0|0,0,0]=2 5171 B11R0.174 C=CC(C)OCOC(=O)CCC 34a_100000695699_100000034017 [0,2,0,0,0,0|2,0,0]=4 5172 B11R0.174 C=CC(C)SCCC(=O)NCC 62a_100011215867_100000737597 [0,2,0,0,0,0|1,0,0]=3 5173 B11R0.174 C=CC(C)SCCC(=O)OCC 62a_100011215867_100000765890 [0,2,0,0,0,0|0,0,0]=2 5174 B11R0.174 C=CC(C)SCOC(=O)CCC 62a_100011215867_100000034017 [0,2,0,0,0,0|2,0,0]=4 5175 B11R0.174 C=CC(C)SCOC(=O)OCC 62a_100011215867_100000075025 [0,2,0,0,0,0|1,0,0]=3 5176 B11R0.174 C=CC(O)CNCC(=O)NCC 2230a_100016988866_100000730141 [0,2,0,0,0,0|1,0,0]=3 5177 B11R0.174 C=CC(O)CSCC(=O)CCC 62a_100000730141_100000747444 [0,2,0,0,0,0|1,0,0]=3 5178 B11R0.174 C=CC(O)CSCC(=O)CCC 62a_100000747444_100000730141 [0,2,0,0,0,0|1,0,0]=3 5179 B11R0.174 C=CC(O)CSCC(=O)NCC 62a_100000183381_100000730141 [0,2,0,0,0,0|1,0,0]=3 5180 B11R0.174 C=CC(O)CSCC(=O)NCC 62a_100000730141_100000183381 [0,2,0,0,0,0|1,0,0]=3 5181 B11R0.174 C=CC(O)CSCC(=O)NCO 62a_100000185155_100000730141 [0,2,0,0,0,0|2,0,0]=4 5182 B11R0.174 C=CC(O)CSCC(=O)NCO 62a_100000730141_100000185155 [0,2,0,0,0,0|2,0,0]=4 5183 B11R0.174 C=CC(O)CSCC(=O)OCC 62a_100000188475_100000730141 [0,2,0,0,0,0|0,0,0]=2 5184 B11R0.174 C=CC(O)CSCC(=O)OCC 62a_100000730141_100000188475 [0,2,0,0,0,0|0,0,0]=2 5185 B11R0.174 C=COC(=O)COCC(C)C=C 34a_100011215527_100000036128 [0,2,0,0,0,0|0,0,2]=4 5186 B11R0.174 C=COC(=O)COC[C@@H](N)C=C 34a_100016989147_100000036128 [0,2,0,0,0,0|0,0,2]=4 5187 B11R0.174 C=COC(=O)CSCC(O)C=C 62a_100000036128_100000730141 [0,2,0,0,0,0|0,0,2]=4 5188 B11R0.174 C=COC(=O)CSCC(O)C=C 62a_100000730141_100000036128 [0,2,0,0,0,0|0,0,2]=4 5189 B11R0.174 C=C[C@H](N)COCC(=O)NCC 34a_100016989147_100000183381 [0,2,0,0,0,0|1,0,0]=3 5190 B11R0.174 C=C[C@H](N)COCC(=O)NCO 34a_100016989147_100000185155 [0,2,0,0,0,0|2,0,0]=4 5191 B11R0.174 C=C[C@H](N)COCC(=O)OCC 34a_100016989147_100000188475 [0,2,0,0,0,0|0,0,0]=2 5192 B11R0.174 CCCC(=O)CCCC(=O)NC 1458a_100000211992_100000741757 [0,2,0,0,0,0|1,0,1]=4 5193 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000211992_100011218270 [0,2,0,0,0,0|1,0,1]=4 5194 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210303 [0,2,0,0,0,0|1,0,1]=4 5195 B11R0.174 CCNC(=O)CCCC(=O)CC 1458a_100000199580_100000210202 [0,2,0,0,0,0|1,0,1]=4 5196 B11R0.174 CCNC(=O)CCCC(=O)CF 1458a_100000199580_100015361967 [0,2,0,0,0,0|1,0,1]=4 5197 B11R0.174 CCNC(=O)CCCC(=O)NC 11a_106832991635_100000199580 [0,2,0,0,0,0|1,0,1]=4 5198 B11R0.174 CCNC(=O)CCCC(=O)NC 1626a_100102657272_100000199580 [0,2,0,0,0,0|1,0,1]=4 5199 B11R0.174 CCNC(=O)CCCC(=O)NC 240690a_100102657272_100000199580 [0,2,0,0,0,0|1,0,1]=4 5200 B11R0.174 CCNC(=O)CCCC(=O)NC 527a_100102657272_100000199580 [0,2,0,0,0,0|1,0,1]=4 5201 B11R0.174 CCNC(=O)CCCC(=O)OC 11a_100015525214_100000239890 [0,2,0,0,0,0|1,0,1]=4 5202 B11R0.174 CCNC(=O)CCCC(=O)OC 240690a_100015525214_100000239890 [0,2,0,0,0,0|1,0,1]=4 5203 B11R0.174 CCNC(=O)CCCC(=O)OC 527a_100015525214_100000239890 [0,2,0,0,0,0|1,0,1]=4 5204 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210414_100011215271 [0,2,0,0,0,0|0,0,1]=3 5205 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210991_100000210202 [0,2,0,0,0,0|0,0,1]=3 5206 B11R0.174 CCOC(=O)CCCC(=O)CF 1458a_100000210991_100015361967 [0,2,0,0,0,0|0,0,1]=3 5207 B11R0.174 CCOC(=O)CCCC(=O)CO 1458a_100000210174_100011215271 [0,2,0,0,0,0|0,0,1]=3 5208 B11R0.174 CCOC(=O)CCCC(=O)NC 11a_106832991635_100000210991 [0,2,0,0,0,0|0,0,1]=3 5209 B11R0.174 CCOC(=O)CCCC(=O)NC 1626a_100102657272_100000210991 [0,2,0,0,0,0|0,0,1]=3 5210 B11R0.174 CCOC(=O)CCCC(=O)NC 240690a_100102657272_100000210991 [0,2,0,0,0,0|0,0,1]=3 5211 B11R0.174 CCOC(=O)CCCC(=O)NC 527a_100102657272_100000210991 [0,2,0,0,0,0|0,0,1]=3 5212 B11R0.174 CCOC(=O)CCCN(C)CC 2230a_100000225621_100009991533 [0,2,0,0,0,0|0,0,2]=4 5213 B11R0.174 CCOC(=O)CCCN(C)CC 269982a_100000225621_100009991533 [0,2,0,0,0,0|0,0,2]=4 5214 B11R0.174 CCOC(=O)CCNC(=O)CC 188690a_100000746078_100000210414 [0,2,0,0,0,0|1,0,1]=4 5215 B11R0.174 CCOC(=O)CCNC(=O)CO 188690a_100000746078_100000210174 [0,2,0,0,0,0|1,0,1]=4 5216 B11R0.174 CCOC(=O)CCNC(C)C#N 2230a_100000737613_100011206558 [0,2,0,0,0,0|1,0,1]=4 5217 B11R0.174 CCOC(=O)CCNC(C)CC 2230a_100000209981_100011206558 [0,2,0,0,0,0|0,0,2]=4 5218 B11R0.174 CCOC(=O)CCN[C@H](C)CO 2230a_100000737577_100011206558 [0,2,0,0,0,0|1,0,1]=4 5219 B11R0.174 CCOC(=O)CCOC(C)C#N 34a_100011218135_100000765890 [0,2,0,0,0,0|1,0,1]=4 5220 B11R0.174 CCOC(=O)CCOC(C)CC 7a_100000210228_100011206558 [0,2,0,0,0,0|0,0,2]=4 5221 B11R0.174 CCOC(=O)CCOC(C)CF 34a_100016041109_100000765890 [0,2,0,0,0,0|1,0,1]=4 5222 B11R0.174 CCOC(=O)CCOC(C)CF 7a_100016041109_100011206558 [0,2,0,0,0,0|1,0,1]=4 5223 B11R0.174 CCOC(=O)CCOC(C)CN 34a_100000210904_100000765890 [0,2,0,0,0,0|1,0,1]=4 5224 B11R0.174 CCOC(=O)CCSC(C)C#N 62a_100000703298_100000765890 [0,2,0,0,0,0|1,0,1]=4 5225 B11R0.174 CCOC(=O)CCSC(C)C#N 62a_100000765890_100000703298 [0,2,0,0,0,0|1,0,1]=4 5226 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000758301_100000765890 [0,2,0,0,0,0|0,0,2]=4 5227 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000765890_100000758301 [0,2,0,0,0,0|0,0,2]=4 5228 B11R0.174 CCOC(=O)CCSC(C)CO 62a_100012180447_100000765890 [0,2,0,0,0,0|1,0,1]=4 5229 B11R0.174 CCOC(=O)CCSC(C)OC 62a_100000765890_100009879195 [0,2,0,0,0,0|1,0,1]=4 5230 B11R0.174 CCOC(=O)CCSC(C)OC 62a_100009879195_100000765890 [0,2,0,0,0,0|1,0,1]=4 5231 B11R0.174 CCOC(=O)CCSC(F)C#N 62a_100000765890_200000117898 [0,2,0,0,0,0|1,0,1]=4 5232 B11R0.174 CCOC(=O)CCSC(F)C#N 62a_200000117898_100000765890 [0,2,0,0,0,0|1,0,1]=4 5233 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100000765890_100016084084 [0,2,0,0,0,0|1,0,1]=4 5234 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100016084084_100000765890 [0,2,0,0,0,0|1,0,1]=4 5235 B11R0.174 CCOC(=O)CNCC(=O)NC 2230a_100000693194_100000188475 [0,2,0,0,0,0|1,0,1]=4 5236 B11R0.174 CCOC(=O)CNCC(C)CC 2230a_100020588543_100000188475 [0,2,0,0,0,0|0,0,2]=4 5237 B11R0.174 CCOC(=O)CNCC(C)CO 34a_100000744482_100000188475 [0,2,0,0,0,0|1,0,1]=4 5238 B11R0.174 CCOC(=O)CNCC(O)CC 2230a_100011218483_100000188475 [0,2,0,0,0,0|0,0,2]=4 5239 B11R0.174 CCOC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000188475 [0,2,0,0,0,0|1,0,1]=4 5240 B11R0.174 CCOC(=O)CNC[C@@H](F)CO 34a_100015665980_100000188475 [0,2,0,0,0,0|1,0,1]=4 5241 B11R0.174 CCOC(=O)CNC[C@H](O)CO 2230a_100020644852_100000188475 [0,2,0,0,0,0|1,0,1]=4 5242 B11R0.174 CCOC(=O)COCC(=O)CC 34a_100000725409_100000188475 [0,2,0,0,0,0|1,0,1]=4 5243 B11R0.174 CCOC(=O)COCC(=O)NC 34a_100000750040_100000188475 [0,2,0,0,0,0|1,0,1]=4 5244 B11R0.174 CCOC(=O)COCC(C)CN 34a_100000744482_100000188475 [0,2,0,0,0,0|1,0,1]=4 5245 B11R0.174 CCOC(=O)COCC(C)OC 34a_100000690652_100000188475 [0,2,0,0,0,0|1,0,1]=4 5246 B11R0.174 CCOC(=O)COCC(Cl)CCl 34a_100000033668_100000188475 [0,2,0,0,0,0|1,0,1]=4 5247 B11R0.174 CCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000188475 [0,2,0,0,0,0|0,0,2]=4 5248 B11R0.174 CCOC(=O)COC[C@H](F)CN 34a_100015665980_100000188475 [0,2,0,0,0,0|1,0,1]=4 5249 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000188475_100000747405 [0,2,0,0,0,0|1,0,1]=4 5250 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000747405_100000188475 [0,2,0,0,0,0|1,0,1]=4 5251 B11R0.174 CCOC(=O)CSCC(=O)NC 62a_100000183359_100000188475 [0,2,0,0,0,0|1,0,1]=4 5252 B11R0.174 CCOC(=O)CSCC(=O)NC 62a_100000188475_100000183359 [0,2,0,0,0,0|1,0,1]=4 5253 B11R0.174 CCOC(=O)CSCC(=O)OC 62a_100000188475_100000747449 [0,2,0,0,0,0|1,0,1]=4 5254 B11R0.174 CCOC(=O)CSCC(=O)OC 62a_100000747449_100000188475 [0,2,0,0,0,0|1,0,1]=4 5255 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000188475_100000748023 [0,2,0,0,0,0|0,0,2]=4 5256 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000748023_100000188475 [0,2,0,0,0,0|0,0,2]=4 5257 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100000188475_100011218378 [0,2,0,0,0,0|0,0,2]=4 5258 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100011218378_100000188475 [0,2,0,0,0,0|0,0,2]=4 5259 B11R0.174 CCOC(=O)CSCC(O)CO 62a_100000188475_100011219619 [0,2,0,0,0,0|1,0,1]=4 5260 B11R0.174 CCOC(=O)CSCC(O)CO 62a_100011219619_100000188475 [0,2,0,0,0,0|1,0,1]=4 5261 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100000188475_100009816398 [0,2,0,0,0,0|0,0,2]=4 5262 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000188475 [0,2,0,0,0,0|0,0,2]=4 5263 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000059175_100000188475 [0,2,0,0,0,0|1,0,1]=4 5264 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000188475_100000059175 [0,2,0,0,0,0|1,0,1]=4 5265 B11R0.174 CCOC(=O)CSC[C@@H](O)CF 62a_100000188475_100015614560 [0,2,0,0,0,0|1,0,1]=4 5266 B11R0.174 CCOC(=O)CSC[C@@H](O)CF 62a_100015614560_100000188475 [0,2,0,0,0,0|1,0,1]=4 5267 B11R0.174 CCOC(=O)CSC[C@@H](O)CO 62a_100000188475_100009815848 [0,2,0,0,0,0|1,0,1]=4 5268 B11R0.174 CCOC(=O)CSC[C@@H](O)CO 62a_100009815848_100000188475 [0,2,0,0,0,0|1,0,1]=4 5269 B11R0.174 CCOC(=O)NCCC(=O)CC 1458a_100000210414_200011445536 [0,2,0,0,0,0|1,0,1]=4 5270 B11R0.174 CCOC(=O)NCCC(=O)CO 1458a_100000210174_200011445536 [0,2,0,0,0,0|1,0,1]=4 5271 B11R0.176 C=C(Br)CCOCC(=O)NCC 34a_100009813270_100000183381 [0,2,0,0,0,0|1,0,0]=3 5272 B11R0.176 C=C(Br)CCOCC(=O)NCO 34a_100009813270_100000185155 [0,2,0,0,0,0|2,0,0]=4 5273 B11R0.176 C=C(Br)CCOCC(=O)OCC 34a_100009813270_100000188475 [0,2,0,0,0,0|0,0,0]=2 5274 B11R0.176 C=C(C)CCNCC(=O)NCC 2230a_100016988866_100000730704 [0,2,0,0,0,0|1,0,0]=3 5275 B11R0.176 C=C(C)CCOCC(=O)NCC 34a_100000764851_100000183381 [0,2,0,0,0,0|1,0,0]=3 5276 B11R0.176 C=C(C)CCOCC(=O)NCO 34a_100000764851_100000185155 [0,2,0,0,0,0|2,0,0]=4 5277 B11R0.176 C=C(C)CCOCC(=O)OCC 34a_100000764851_100000188475 [0,2,0,0,0,0|0,0,0]=2 5278 B11R0.176 C=C(C)CCSCC(=O)CCC 62a_100000730704_100000747444 [0,2,0,0,0,0|1,0,0]=3 5279 B11R0.176 C=C(C)CCSCC(=O)CCC 62a_100000747444_100000730704 [0,2,0,0,0,0|1,0,0]=3 5280 B11R0.176 C=C(C)CCSCC(=O)NCC 62a_100000183381_100000730704 [0,2,0,0,0,0|1,0,0]=3 5281 B11R0.176 C=C(C)CCSCC(=O)NCC 62a_100000730704_100000183381 [0,2,0,0,0,0|1,0,0]=3 5282 B11R0.176 C=C(C)CCSCC(=O)NCO 62a_100000185155_100000730704 [0,2,0,0,0,0|2,0,0]=4 5283 B11R0.176 C=C(C)CCSCC(=O)NCO 62a_100000730704_100000185155 [0,2,0,0,0,0|2,0,0]=4 5284 B11R0.176 C=C(C)CCSCC(=O)OCC 62a_100000188475_100000730704 [0,2,0,0,0,0|0,0,0]=2 5285 B11R0.176 C=C(C)CCSCC(=O)OCC 62a_100000730704_100000188475 [0,2,0,0,0,0|0,0,0]=2 5286 B11R0.176 C=C(C)CNCCC(=O)NCC 34a_100025743525_100000748629 [0,2,0,0,0,0|1,0,0]=3 5287 B11R0.176 C=C(C)COCCC(=O)OCC 34a_100000210245_100000765890 [0,2,0,0,0,0|0,0,0]=2 5288 B11R0.176 C=C(C)COCOC(=O)CCC 34a_100000210245_100000034017 [0,2,0,0,0,0|2,0,0]=4 5289 B11R0.176 C=C(C)CSCCC(=O)NCC 62a_100000737597_100000211660 [0,2,0,0,0,0|1,0,0]=3 5290 B11R0.176 C=C(C)CSCCC(=O)NCC 62a_100000748629_100000737597 [0,2,0,0,0,0|1,0,0]=3 5291 B11R0.176 C=C(C)CSCCC(=O)OCC 62a_100000748629_100000765890 [0,2,0,0,0,0|0,0,0]=2 5292 B11R0.176 C=C(C)CSCCC(=O)OCC 62a_100000765890_100000211660 [0,2,0,0,0,0|0,0,0]=2 5293 B11R0.176 C=C(C)CSCOC(=O)CCC 62a_100000748629_100000034017 [0,2,0,0,0,0|2,0,0]=4 5294 B11R0.176 C=C(C)CSCOC(=O)OCC 62a_100000748629_100000075025 [0,2,0,0,0,0|1,0,0]=3 5295 B11R0.176 C=C(F)CNCCC(=O)NCC 34a_100025743525_100009893438 [0,2,0,0,0,0|1,0,0]=3 5296 B11R0.176 C=C(F)COCCC(=O)OCC 34a_200010262243_100000765890 [0,2,0,0,0,0|0,0,0]=2 5297 B11R0.176 C=C(F)COCOC(=O)CCC 34a_200010262243_100000034017 [0,2,0,0,0,0|2,0,0]=4 5298 B11R0.176 C=C(F)CSCCC(=O)NCC 62a_100000042424_100000737597 [0,2,0,0,0,0|1,0,0]=3 5299 B11R0.176 C=C(F)CSCCC(=O)NCC 62a_100000737597_100000042424 [0,2,0,0,0,0|1,0,0]=3 5300 B11R0.176 C=C(F)CSCCC(=O)OCC 62a_100000042424_100000765890 [0,2,0,0,0,0|0,0,0]=2 5301 B11R0.176 C=C(F)CSCCC(=O)OCC 62a_100000765890_100000042424 [0,2,0,0,0,0|0,0,0]=2 5302 B11R0.176 C=C(F)CSCOC(=O)CCC 62a_100000042424_100000034017 [0,2,0,0,0,0|2,0,0]=4 5303 B11R0.176 C=C(F)CSCOC(=O)OCC 62a_100000042424_100000075025 [0,2,0,0,0,0|1,0,0]=3 5304 B11R0.176 C=COC(=O)COCCC(=C)Br 34a_100009813270_100000036128 [0,2,0,0,0,0|0,0,2]=4 5305 B11R0.176 C=COC(=O)COCCC(=C)C 34a_100000764851_100000036128 [0,2,0,0,0,0|0,0,2]=4 5306 B11R0.176 C=COC(=O)CSCCC(=C)C 62a_100000036128_100000730704 [0,2,0,0,0,0|0,0,2]=4 5307 B11R0.176 C=COC(=O)CSCCC(=C)C 62a_100000730704_100000036128 [0,2,0,0,0,0|0,0,2]=4 5308 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,2,0,0,0,0|1,0,1]=4 5309 B11R0.176 CCCC(=O)CCCN=C(N)N 1458a_100000034108_100000210303 [0,2,0,0,0,0|2,0,0]=4 5310 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [0,2,0,0,0,0|1,0,1]=4 5311 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [0,2,0,0,0,0|1,0,1]=4 5312 B11R0.176 CCCC(=O)CCCOC(=S)C 1458a_100000211992_200135323944 [0,2,0,0,0,0|1,0,1]=4 5313 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [0,2,0,0,0,0|1,0,1]=4 5314 B11R0.176 CCCC(=O)CCOCC(=O)N 1458a_100000211992_100000076697 [0,2,0,0,0,0|2,0,0]=4 5315 B11R0.176 CCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210303 [0,2,0,0,0,0|2,0,0]=4 5316 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [0,2,0,0,0,0|1,0,1]=4 5317 B11R0.176 CCCC(=O)COCCC(=O)N 7a_100000757172_100000747444 [0,2,0,0,0,0|2,0,0]=4 5318 B11R0.176 CCCC(=O)CSCC=C(C)C 62a_100000747444_100000761012 [0,2,0,0,0,0|2,0,0]=4 5319 B11R0.176 CCCC(=O)CSCC=C(C)C 62a_100000761012_100000747444 [0,2,0,0,0,0|2,0,0]=4 5320 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000053229_100000747444 [0,2,0,0,0,0|1,0,1]=4 5321 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000747444_100000053229 [0,2,0,0,0,0|1,0,1]=4 5322 B11R0.176 CCCC(=O)CSCCC(=O)N 62a_100000744528_100000747444 [0,2,0,0,0,0|2,0,0]=4 5323 B11R0.176 CCCC(=O)CSCCC(=O)N 62a_100000747444_100000744528 [0,2,0,0,0,0|2,0,0]=4 5324 B11R0.176 CCCC(=O)NCCCC(=O)N 240690a_100000739312_100000211992 [0,2,0,0,0,0|2,0,0]=4 5325 B11R0.176 CCCC(=O)NCCCC(=O)N 527a_100000739312_100000211992 [0,2,0,0,0,0|2,0,0]=4 5326 B11R0.176 CCNC(=O)CCCN=C(N)N 240690a_100015525214_100000034108 [0,2,0,0,0,0|2,0,0]=4 5327 B11R0.176 CCNC(=O)CCCNC(=O)C 11a_100015525214_100000194741 [0,2,0,0,0,0|1,0,1]=4 5328 B11R0.176 CCNC(=O)CCCNC(=O)C 240690a_100015525214_100000194741 [0,2,0,0,0,0|1,0,1]=4 5329 B11R0.176 CCNC(=O)CCCNC(=O)C 527a_100015525214_100000194741 [0,2,0,0,0,0|1,0,1]=4 5330 B11R0.176 CCNC(=O)CCNCC(=O)N 2230a_100000711301_100000737597 [0,2,0,0,0,0|2,0,0]=4 5331 B11R0.176 CCNC(=O)CCNCC(=O)N 34a_100025743525_100000187820 [0,2,0,0,0,0|2,0,0]=4 5332 B11R0.176 CCNC(=O)CCNCC(=O)O 269956a_100016091260_100000737597 [0,2,0,0,0,0|2,0,0]=4 5333 B11R0.176 CCNC(=O)CCNCC(=O)[O-] 34a_100025743525_100020667443 [0,2,0,0,0,0|2,0,0]=4 5334 B11R0.176 CCNC(=O)CCSCC(=O)N 11a_100015525214_100000148550 [0,2,0,0,0,0|2,0,0]=4 5335 B11R0.176 CCNC(=O)CCSCC(=O)N 240690a_100015525214_100000148550 [0,2,0,0,0,0|2,0,0]=4 5336 B11R0.176 CCNC(=O)CCSCC(=O)N 527a_100015525214_100000148550 [0,2,0,0,0,0|2,0,0]=4 5337 B11R0.176 CCNC(=O)CCSCC(=O)N 62a_100000737597_100000747473 [0,2,0,0,0,0|2,0,0]=4 5338 B11R0.176 CCNC(=O)CCSCC(=O)N 62a_100000747473_100000737597 [0,2,0,0,0,0|2,0,0]=4 5339 B11R0.176 CCNC(=O)CCSCC(=O)[O-] 62a_100000737597_100020667443 [0,2,0,0,0,0|2,0,0]=4 5340 B11R0.176 CCNC(=O)CCSCC(=O)[O-] 62a_100020667443_100000737597 [0,2,0,0,0,0|2,0,0]=4 5341 B11R0.176 CCNC(=O)CNCC=C(C)C 2230a_100016988866_100000761012 [0,2,0,0,0,0|2,0,0]=4 5342 B11R0.176 CCNC(=O)CNCC=C(C)C 34a_100000718196_100000183381 [0,2,0,0,0,0|2,0,0]=4 5343 B11R0.176 CCNC(=O)CNCCC(=O)N 2230a_100016988866_100000744528 [0,2,0,0,0,0|2,0,0]=4 5344 B11R0.176 CCNC(=O)COCC=C(C)C 34a_100000753907_100000183381 [0,2,0,0,0,0|2,0,0]=4 5345 B11R0.176 CCNC(=O)COCCC(=O)C 34a_100000759926_100000183381 [0,2,0,0,0,0|1,0,1]=4 5346 B11R0.176 CCNC(=O)COCCC(=O)C 7a_100000759926_100000183381 [0,2,0,0,0,0|1,0,1]=4 5347 B11R0.176 CCNC(=O)COCCC(=O)N 34a_100000757172_100000183381 [0,2,0,0,0,0|2,0,0]=4 5348 B11R0.176 CCNC(=O)COCCC(=O)N 7a_100000757172_100000183381 [0,2,0,0,0,0|2,0,0]=4 5349 B11R0.176 CCNC(=O)CSCC=C(C)C 62a_100000183381_100000761012 [0,2,0,0,0,0|2,0,0]=4 5350 B11R0.176 CCNC(=O)CSCC=C(C)C 62a_100000761012_100000183381 [0,2,0,0,0,0|2,0,0]=4 5351 B11R0.176 CCNC(=O)CSCCC(=O)C 62a_100000053229_100000183381 [0,2,0,0,0,0|1,0,1]=4 5352 B11R0.176 CCNC(=O)CSCCC(=O)C 62a_100000183381_100000053229 [0,2,0,0,0,0|1,0,1]=4 5353 B11R0.176 CCNC(=O)CSCCC(=O)N 62a_100000183381_100000744528 [0,2,0,0,0,0|2,0,0]=4 5354 B11R0.176 CCNC(=O)CSCCC(=O)N 62a_100000744528_100000183381 [0,2,0,0,0,0|2,0,0]=4 5355 B11R0.176 CCNC(=O)NCCCC(=O)N 273464a_100000739312_100015525214 [0,2,0,0,0,0|2,0,0]=4 5356 B11R0.176 CCNC(=O)NCCCC(=O)N 273464a_100015525214_100000739312 [0,2,0,0,0,0|2,0,0]=4 5357 B11R0.176 CCNC(=O)NCCCC(=O)N 512a_100000739312_100015525214 [0,2,0,0,0,0|2,0,0]=4 5358 B11R0.176 CCNC(=O)NCCCC(=O)N 512a_100015525214_100000739312 [0,2,0,0,0,0|2,0,0]=4 5359 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [0,2,0,0,0,0|0,0,1]=3 5360 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [0,2,0,0,0,0|0,0,1]=3 5361 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [0,2,0,0,0,0|0,0,1]=3 5362 B11R0.176 CCOC(=O)CCCCN(C)C 2230a_100102631434_100000750268 [0,2,0,0,0,0|0,0,2]=4 5363 B11R0.176 CCOC(=O)CCCCN(C)C 269982a_100102631434_100000750268 [0,2,0,0,0,0|0,0,2]=4 5364 B11R0.176 CCOC(=O)CCCNC(=O)C 188690a_100000211256_100015343762 [0,2,0,0,0,0|0,0,1]=3 5365 B11R0.176 CCOC(=O)CCCNC(C)C 2230a_100138425928_100009991533 [0,2,0,0,0,0|0,0,2]=4 5366 B11R0.176 CCOC(=O)CCCNC(C)C 34a_100138425928_100009991533 [0,2,0,0,0,0|0,0,2]=4 5367 B11R0.176 CCOC(=O)CCCOC(C)C 34a_100000212225_100009991533 [0,2,0,0,0,0|0,0,2]=4 5368 B11R0.176 CCOC(=O)CCCOC(C)C 7a_100012001163_100000210206 [0,2,0,0,0,0|0,0,2]=4 5369 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100000210206_100009991533 [0,2,0,0,0,0|0,0,2]=4 5370 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100009991533_100000210206 [0,2,0,0,0,0|0,0,2]=4 5371 B11R0.176 CCOC(=O)CCNCC(=O)N 2230a_100000711301_100011206558 [0,2,0,0,0,0|1,0,0]=3 5372 B11R0.176 CCOC(=O)CCNCC(=O)O 269956a_100016091260_100000765890 [0,2,0,0,0,0|1,0,0]=3 5373 B11R0.176 CCOC(=O)CCNCC(C)C 2230a_100000210953_100011206558 [0,2,0,0,0,0|0,0,2]=4 5374 B11R0.176 CCOC(=O)CCNCC(C)C 34a_100000210953_100000765890 [0,2,0,0,0,0|0,0,2]=4 5375 B11R0.176 CCOC(=O)CCNCC(C)O 2230a_100000210904_100011206558 [0,2,0,0,0,0|0,0,2]=4 5376 B11R0.176 CCOC(=O)CCNCC(C)O 34a_100000210904_100000765890 [0,2,0,0,0,0|0,0,2]=4 5377 B11R0.176 CCOC(=O)CCNCC(F)F 34a_100000765723_100000765890 [0,2,0,0,0,0|1,0,1]=4 5378 B11R0.176 CCOC(=O)CCOCC(=O)C 34a_100000211253_100000765890 [0,2,0,0,0,0|0,0,1]=3 5379 B11R0.176 CCOC(=O)CCOCC(C)Br 34a_100012180447_100000765890 [0,2,0,0,0,0|0,0,2]=4 5380 B11R0.176 CCOC(=O)CCOCC(C)C 34a_100000210257_100000765890 [0,2,0,0,0,0|0,0,2]=4 5381 B11R0.176 CCOC(=O)CCOCC(C)F 34a_100015925927_100000765890 [0,2,0,0,0,0|0,0,2]=4 5382 B11R0.176 CCOC(=O)CCOCC(F)F 34a_100000743014_100000765890 [0,2,0,0,0,0|1,0,1]=4 5383 B11R0.176 CCOC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000765890 [0,2,0,0,0,0|0,0,2]=4 5384 B11R0.176 CCOC(=O)CCOC[C@@H](C)N 34a_100000737577_100000765890 [0,2,0,0,0,0|0,0,2]=4 5385 B11R0.176 CCOC(=O)CCSCC(=O)N 62a_100000747473_100000765890 [0,2,0,0,0,0|1,0,0]=3 5386 B11R0.176 CCOC(=O)CCSCC(=O)N 62a_100000765890_100000747473 [0,2,0,0,0,0|1,0,0]=3 5387 B11R0.176 CCOC(=O)CCSCC(=O)[O-] 62a_100000765890_100020667443 [0,2,0,0,0,0|1,0,0]=3 5388 B11R0.176 CCOC(=O)CCSCC(=O)[O-] 62a_100020667443_100000765890 [0,2,0,0,0,0|1,0,0]=3 5389 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000210624_100000765890 [0,2,0,0,0,0|0,0,2]=4 5390 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000765890_100000210760 [0,2,0,0,0,0|0,0,2]=4 5391 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100000765890_100011218427 [0,2,0,0,0,0|0,0,2]=4 5392 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100011218427_100000765890 [0,2,0,0,0,0|0,0,2]=4 5393 B11R0.176 CCOC(=O)CCSCC(F)F 62a_100000765890_100011934356 [0,2,0,0,0,0|1,0,1]=4 5394 B11R0.176 CCOC(=O)CCSCC(F)F 62a_100011934356_100000765890 [0,2,0,0,0,0|1,0,1]=4 5395 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100000765890_100009817552 [0,2,0,0,0,0|0,0,2]=4 5396 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100009817552_100000765890 [0,2,0,0,0,0|0,0,2]=4 5397 B11R0.176 CCOC(=O)CCSC[N+](=O)[O-] 62a_100000765890_100000761209 [0,2,0,0,0,0|2,0,0]=4 5398 B11R0.176 CCOC(=O)CNCC=C(C)C 34a_100000718196_100000188475 [0,2,0,0,0,0|1,0,0]=3 5399 B11R0.176 CCOC(=O)CNCCC(C)O 2230a_200000755665_100000188475 [0,2,0,0,0,0|0,0,2]=4 5400 B11R0.176 CCOC(=O)CNOCC(=O)O 269956a_100000106656_100000188475 [0,2,0,0,0,0|2,0,0]=4 5401 B11R0.176 CCOC(=O)COCC=C(C)C 34a_100000753907_100000188475 [0,2,0,0,0,0|1,0,0]=3 5402 B11R0.176 CCOC(=O)COCCC(=O)C 1458a_100000070787_100000088970 [0,2,0,0,0,0|0,0,1]=3 5403 B11R0.176 CCOC(=O)COCCC(=O)C 34a_100000759926_100000188475 [0,2,0,0,0,0|0,0,1]=3 5404 B11R0.176 CCOC(=O)COCCC(=O)C 7a_100000759926_100000188475 [0,2,0,0,0,0|0,0,1]=3 5405 B11R0.176 CCOC(=O)COCCC(=O)N 34a_100000757172_100000188475 [0,2,0,0,0,0|1,0,0]=3 5406 B11R0.176 CCOC(=O)COCCC(=O)N 7a_100000757172_100000188475 [0,2,0,0,0,0|1,0,0]=3 5407 B11R0.176 CCOC(=O)COCCC(C)Br 34a_100009893172_100000188475 [0,2,0,0,0,0|0,0,2]=4 5408 B11R0.176 CCOC(=O)COCCC(C)C 34a_100000210254_100000188475 [0,2,0,0,0,0|0,0,2]=4 5409 B11R0.176 CCOC(=O)COCCC(C)C 7a_100000210254_100000188475 [0,2,0,0,0,0|0,0,2]=4 5410 B11R0.176 CCOC(=O)COCCC(F)F 34a_100103093639_100000188475 [0,2,0,0,0,0|1,0,1]=4 5411 B11R0.176 CCOC(=O)COCCN(C)C 2230a_100102631434_100000088970 [0,2,0,0,0,0|1,0,1]=4 5412 B11R0.176 CCOC(=O)COCCN(C)C 269982a_100102631434_100000088970 [0,2,0,0,0,0|1,0,1]=4 5413 B11R0.176 CCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000188475 [0,2,0,0,0,0|0,0,2]=4 5414 B11R0.176 CCOC(=O)CSCC=C(C)C 62a_100000188475_100000761012 [0,2,0,0,0,0|1,0,0]=3 5415 B11R0.176 CCOC(=O)CSCC=C(C)C 62a_100000761012_100000188475 [0,2,0,0,0,0|1,0,0]=3 5416 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000053229_100000188475 [0,2,0,0,0,0|0,0,1]=3 5417 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000188475_100000053229 [0,2,0,0,0,0|0,0,1]=3 5418 B11R0.176 CCOC(=O)CSCCC(=O)N 62a_100000188475_100000744528 [0,2,0,0,0,0|1,0,0]=3 5419 B11R0.176 CCOC(=O)CSCCC(=O)N 62a_100000744528_100000188475 [0,2,0,0,0,0|1,0,0]=3 5420 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000188475_100000210312 [0,2,0,0,0,0|0,0,2]=4 5421 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000210312_100000188475 [0,2,0,0,0,0|0,0,2]=4 5422 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100000188475_100012276601 [0,2,0,0,0,0|0,0,2]=4 5423 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100012276601_100000188475 [0,2,0,0,0,0|0,0,2]=4 5424 B11R0.176 CCOC(=O)CSCCN(C)C 62a_100000188475_100000755713 [0,2,0,0,0,0|1,0,1]=4 5425 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000076356_100000188475 [0,2,0,0,0,0|1,0,1]=4 5426 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000188475_100000076356 [0,2,0,0,0,0|1,0,1]=4 5427 B11R0.176 CCOC(=O)OCSCC(=O)N 62a_100000747473_100000075025 [0,2,0,0,0,0|2,0,0]=4 5428 B11R0.176 CCOC(=O)OCSCC(=O)[O-] 62a_100020667443_100000075025 [0,2,0,0,0,0|2,0,0]=4 5429 B11R0.304 C=CCCCNS(=O)(=O)CCC 270084a_100000700776_100000211391 [0,2,0,0,0,0|2,0,0]=4 5430 B11R0.304 C=CCCCNS(=O)(=O)CCC 274078a_100000700776_100000211391 [0,2,0,0,0,0|2,0,0]=4 5431 B11R0.304 C=CCCCNS(=O)(=O)CCC 40a_100000700776_100000054278 [0,2,0,0,0,0|2,0,0]=4 5432 B11R0.304 C=CCCSC[Si](C)(C)OCC 62a_100000754431_200000065227 [0,2,0,0,0,0|1,1,0]=4 5433 B11R0.304 C=CCCSC[Si](C)(C)OCC 62a_200000065227_100000754431 [0,2,0,0,0,0|1,1,0]=4 5434 B11R0.1 C=C(C)CC(=O)CC(=O)OCC 1458a_100000243816_100000748629 [0,2,0,0,0,0|0,0,1]=3 5435 B11R0.1 C=C(C)CN(C)CC(=O)CCC 2230a_100000225649_100000747444 [0,2,0,0,0,0|2,0,0]=4 5436 B11R0.1 C=C(C)CN(C)CC(=O)CCC 269982a_100000225649_100000747444 [0,2,0,0,0,0|2,0,0]=4 5437 B11R0.1 C=C(C)CN(C)CC(=O)NCC 2230a_100000225649_100000183381 [0,2,0,0,0,0|2,0,0]=4 5438 B11R0.1 C=C(C)CN(C)CC(=O)NCC 2230a_100000741943_100000748629 [0,2,0,0,0,0|2,0,0]=4 5439 B11R0.1 C=C(C)CN(C)CC(=O)NCC 269982a_100000225649_100000183381 [0,2,0,0,0,0|2,0,0]=4 5440 B11R0.1 C=C(C)CN(C)CC(=O)NCC 269982a_100000741943_100000748629 [0,2,0,0,0,0|2,0,0]=4 5441 B11R0.1 C=C(C)CN(C)CC(=O)OCC 2230a_100000220588_100000748629 [0,2,0,0,0,0|1,0,0]=3 5442 B11R0.1 C=C(C)CN(C)CC(=O)OCC 2230a_100000225649_100000188475 [0,2,0,0,0,0|1,0,0]=3 5443 B11R0.1 C=C(C)CN(C)CC(=O)OCC 269982a_100000225649_100000188475 [0,2,0,0,0,0|1,0,0]=3 5444 B11R0.1 C=C(F)CC(=O)CC(=O)OCC 1458a_100000243816_100009893438 [0,2,0,0,0,0|0,0,1]=3 5445 B11R0.1 C=C(F)CN(C)CC(=O)NCC 2230a_100000741943_100009893438 [0,2,0,0,0,0|2,0,0]=4 5446 B11R0.1 C=C(F)CN(C)CC(=O)NCC 269982a_100000741943_100009893438 [0,2,0,0,0,0|2,0,0]=4 5447 B11R0.1 C=C(F)CN(C)CC(=O)OCC 2230a_100000220588_100009893438 [0,2,0,0,0,0|1,0,0]=3 5448 B11R0.1 C=CCC(=O)CC(=O)NC(C)C 1458a_100000210193_100000183996 [0,2,0,0,0,0|1,0,1]=4 5449 B11R0.1 C=CCC(=O)CC(=O)OC(C)C 1458a_100000210193_100011215430 [0,2,0,0,0,0|0,0,1]=3 5450 B11R0.1 C=CCN(C)CC(=O)NC(C)C 2230a_100000168146_100000210623 [0,2,0,0,0,0|2,0,0]=4 5451 B11R0.1 C=CCN(C)CC(=O)NC(C)C 2230a_100000225617_100000183996 [0,2,0,0,0,0|2,0,0]=4 5452 B11R0.1 C=CCN(C)CC(=O)NC(C)C 269982a_100000168146_100000210623 [0,2,0,0,0,0|2,0,0]=4 5453 B11R0.1 C=CCN(C)CC(=O)NC(C)C 269982a_100000225617_100000183996 [0,2,0,0,0,0|2,0,0]=4 5454 B11R0.1 C=CCN(C)CC(=O)OC(C)C 2230a_100000225617_100011215430 [0,2,0,0,0,0|1,0,0]=3 5455 B11R0.1 C=CCN(C)CC(=O)OC(C)C 269982a_100000225617_100011215430 [0,2,0,0,0,0|1,0,0]=3 5456 B11R0.1 CCOC(=O)CC(=O)CC(=O)N 1458a_100000243816_100000187820 [0,2,0,0,0,0|1,0,1]=4 5457 B11R0.1 CCOC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000188475 [0,2,0,0,0,0|1,0,1]=4 5458 B11R0.1 CCOC(=O)CC(=O)CC(=O)[O-] 1458a_100000243816_100020667443 [0,2,0,0,0,0|1,0,1]=4 5459 B11R0.1 CCOC(=O)CC(C)NC(=O)C 188690a_100000686176_100015343762 [0,2,0,0,0,0|1,0,1]=4 5460 B11R0.1 CCOC(=O)CN(C)CC(=O)N 2230a_100000220588_100000747473 [0,2,0,0,0,0|2,0,0]=4 5461 B11R0.1 CCOC(=O)CN(C)CC(=O)N 2230a_100000739694_100000188475 [0,2,0,0,0,0|2,0,0]=4 5462 B11R0.1 CCOC(=O)CN(C)CC(=O)O 269956a_100000746989_100000188475 [0,2,0,0,0,0|2,0,0]=4 5463 B11R0.1 CCOC(=O)C[C@H](O)CN(C)C 269982a_100102631434_100000688340 [0,2,0,0,0,0|1,0,1]=4 5464 B11R0.177 C=CCC(=O)C(C)C(=O)NCC 1458a_100000210193_100000230173 [0,2,0,0,0,0|1,0,1]=4 5465 B11R0.177 C=CCC(=O)C(C)C(=O)OCC 1458a_100000210193_100011216346 [0,2,0,0,0,0|0,0,1]=3 5466 B11R0.177 C=CCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210623 [0,2,0,0,0,0|0,0,1]=3 5467 B11R0.177 C=CCC(=O)C(F)C(=O)OCC 1458a_100000210193_100000760018 [0,2,0,0,0,0|0,0,1]=3 5468 B11R0.177 C=CCN(C)C(=O)C(=O)OCC 11a_100000225617_100014798877 [0,2,0,0,0,0|1,0,1]=4 5469 B11R0.177 C=CCN(C)C(=O)C(=O)OCC 1626a_100000225617_100014798877 [0,2,0,0,0,0|1,0,1]=4 5470 B11R0.177 C=CCN(C)C(=O)C(=O)OCC 240690a_100000225617_100014798877 [0,2,0,0,0,0|1,0,1]=4 5471 B11R0.177 C=CCN(C)C(C)C(=O)NCC 2230a_100000225617_100000230173 [0,2,0,0,0,0|2,0,0]=4 5472 B11R0.177 C=CCN(C)C(C)C(=O)NCC 269982a_100000225617_100000230173 [0,2,0,0,0,0|2,0,0]=4 5473 B11R0.177 C=CCN(C)C(C)C(=O)OCC 2230a_100000225617_100011215307 [0,2,0,0,0,0|1,0,0]=3 5474 B11R0.177 C=CCN(C)C(C)C(=O)OCC 269982a_100000225617_100011216346 [0,2,0,0,0,0|1,0,0]=3 5475 B11R0.177 C=CCN(C)C(F)C(=O)OCC 2230a_100000225617_100000760018 [0,2,0,0,0,0|1,0,0]=3 5476 B11R0.177 C=CCN(C)C(F)C(=O)OCC 269982a_100000225617_100000760018 [0,2,0,0,0,0|1,0,0]=3 5477 B11R0.182 C=CCN(CC)CC(=O)OCC 2230a_100000220607_100000210623 [0,2,0,0,0,0|1,0,0]=3 5478 B11R0.182 C=CCN(CC)CC(=O)OCC 269982a_100000220607_100000210623 [0,2,0,0,0,0|1,0,0]=3 5479 B11R0.182 C=CC[C@H](CO)NC(=O)CCC 240690a_100020615467_100000211992 [0,2,0,0,0,0|2,0,0]=4 5480 B11R0.182 C=CC[C@H](CO)NC(=O)CCC 527a_100020615467_100000211992 [0,2,0,0,0,0|2,0,0]=4 5481 B11R0.182 C=CC[C@H](CO)NC(=O)NCC 2708a_100015525214_100020615467 [0,2,0,0,0,0|2,0,0]=4 5482 B11R0.182 C=CC[C@H](CO)NC(=O)NCC 273464a_100015525214_100020615467 [0,2,0,0,0,0|2,0,0]=4 5483 B11R0.182 C=CC[C@H](CO)NC(=O)NCC 273464a_100020615467_100015525214 [0,2,0,0,0,0|2,0,0]=4 5484 B11R0.182 C=CC[C@H](CO)NC(=O)NCC 512a_100015525214_100020615467 [0,2,0,0,0,0|2,0,0]=4 5485 B11R0.182 C=CC[C@H](CO)NC(=O)NCC 512a_100020615467_100015525214 [0,2,0,0,0,0|2,0,0]=4 5486 B11R0.182 CCCC(CC(=O)OCC)OC 7a_100011216533_200000210301 [0,2,0,0,0,0|0,0,2]=4 5487 B11R0.182 CCCC(CC(=O)OCC)O[13CH3] 7a_100011216533_200025704644 [0,2,0,0,0,0|0,0,2]=4 5488 B11R0.182 CCOC(=O)CN(CC)CC=O 2230a_100000220607_200015260668 [0,2,0,0,0,0|2,0,0]=4 5489 B11R0.182 CCOC(=O)CN(CC)CC=O 269982a_100000220607_200015260668 [0,2,0,0,0,0|2,0,0]=4 5490 B11R0.187 C=CC(=O)C(C)CC(=O)OCC 1458a_100000185746_100009817359 [0,2,0,0,0,0|0,0,1]=3 5491 B11R0.187 C=CC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000185746 [0,2,0,0,0,0|1,0,1]=4 5492 B11R0.187 C=CC(=O)N(C)CC(=O)OCC 240690a_100000220588_200121576911 [0,2,0,0,0,0|1,0,1]=4 5493 B11R0.187 C=CC(C)C(=O)CC(=O)CCC 1458a_100011216780_100000747444 [0,2,0,0,0,0|1,0,1]=4 5494 B11R0.187 C=CC(C)C(=O)CC(=O)NCC 1458a_100011216780_100000183381 [0,2,0,0,0,0|1,0,1]=4 5495 B11R0.187 C=CC(C)C(=O)CC(=O)OCC 1458a_100011216780_100000188475 [0,2,0,0,0,0|0,0,1]=3 5496 B11R0.187 C=CC(C)N(C)CC(=O)NCC 269982a_100000741943_100011215867 [0,2,0,0,0,0|2,0,0]=4 5497 B11R0.187 C=CCC(=O)CC(=O)N(C)CC 1458a_100000210193_100011894763 [0,2,0,0,0,0|1,0,1]=4 5498 B11R0.187 C=CCN(C)CC(=O)N(C)CC 2230a_100000225617_100000738999 [0,2,0,0,0,0|2,0,0]=4 5499 B11R0.187 C=CCN(C)CC(=O)N(C)CC 269982a_100000225617_100000738999 [0,2,0,0,0,0|2,0,0]=4 5500 B11R0.353 C=CC[Si](C)(C)CC(=O)CCC 1458a_100000211992_100000046978 [0,2,0,0,0,0|1,1,0]=4 5501 B11R0.6 C=C(C)CNCC(=O)NC(C)C 2230a_100000168517_100000748629 [0,2,0,0,0,0|2,0,0]=4 5502 B11R0.6 C=C(C)COCC(=O)NC(C)C 34a_100000210245_100000183996 [0,2,0,0,0,0|2,0,0]=4 5503 B11R0.6 C=C(C)COCC(=O)OC(C)C 34a_100000210245_100011215430 [0,2,0,0,0,0|1,0,0]=3 5504 B11R0.6 C=C(C)CSCC(=O)NC(C)C 62a_100000183996_100000211660 [0,2,0,0,0,0|2,0,0]=4 5505 B11R0.6 C=C(C)CSCC(=O)NC(C)C 62a_100000748629_100000183996 [0,2,0,0,0,0|2,0,0]=4 5506 B11R0.6 C=C(C)CSCC(=O)OC(C)C 62a_100000748629_100011215430 [0,2,0,0,0,0|1,0,0]=3 5507 B11R0.6 C=C(C)CSCC(=O)OC(C)C 62a_100011215430_100000211660 [0,2,0,0,0,0|1,0,0]=3 5508 B11R0.6 C=C(F)CNCC(=O)NC(C)C 2230a_100000168517_100009893438 [0,2,0,0,0,0|2,0,0]=4 5509 B11R0.6 C=C(F)COCC(=O)NC(C)C 34a_200010262243_100000183996 [0,2,0,0,0,0|2,0,0]=4 5510 B11R0.6 C=C(F)COCC(=O)OC(C)C 34a_200010262243_100011215430 [0,2,0,0,0,0|1,0,0]=3 5511 B11R0.6 C=C(F)CSCC(=O)NC(C)C 62a_100000042424_100000183996 [0,2,0,0,0,0|2,0,0]=4 5512 B11R0.6 C=C(F)CSCC(=O)NC(C)C 62a_100000183996_100000042424 [0,2,0,0,0,0|2,0,0]=4 5513 B11R0.6 C=C(F)CSCC(=O)OC(C)C 62a_100000042424_100011215430 [0,2,0,0,0,0|1,0,0]=3 5514 B11R0.6 C=C(F)CSCC(=O)OC(C)C 62a_100011215430_100000042424 [0,2,0,0,0,0|1,0,0]=3 5515 B11R0.6 CC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100011215641 [0,2,0,0,0,0|1,0,1]=4 5516 B11R0.6 CC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215641 [0,2,0,0,0,0|1,0,1]=4 5517 B11R0.6 CC(=O)COCC(=O)OC(C)C 34a_100000211253_100011215430 [0,2,0,0,0,0|1,0,1]=4 5518 B11R0.6 CC(C)CC(=O)CCCC(=O)N 1458a_100000210554_100102525003 [0,2,0,0,0,0|2,0,0]=4 5519 B11R0.6 CC(C)OC(=O)CNCC(=O)N 2230a_100000711301_100011215430 [0,2,0,0,0,0|2,0,0]=4 5520 B11R0.6 CC(C)OC(=O)CNCC(=O)O 269956a_100016091260_100011215430 [0,2,0,0,0,0|2,0,0]=4 5521 B11R0.6 CC(C)OC(=O)CSCC(=O)N 62a_100000747473_100011215430 [0,2,0,0,0,0|2,0,0]=4 5522 B11R0.6 CC(C)OC(=O)CSCC(=O)N 62a_100011215430_100000747473 [0,2,0,0,0,0|2,0,0]=4 5523 B11R0.6 CC(C)OC(=O)CSCC(=O)[O-] 62a_100011215430_100020667443 [0,2,0,0,0,0|2,0,0]=4 5524 B11R0.6 CC(C)OC(=O)CSCC(=O)[O-] 62a_100020667443_100011215430 [0,2,0,0,0,0|2,0,0]=4 5525 B11R0.6 C[C@@H](O)CC(=O)CCCC(=O)N 1458a_100011933948_100102525003 [0,2,0,0,0,0|2,0,0]=4 5526 B11R0.59 C=C(C)CCC(=O)C(=O)NCC 1458a_200011297158_100000730704 [0,2,0,0,0,0|1,0,1]=4 5527 B11R0.59 C=C(C)CNC(=O)C(=O)OCC 11a_100000765925_100014798877 [0,2,0,0,0,0|1,0,1]=4 5528 B11R0.59 C=C(C)CNC(=O)C(=O)OCC 1626a_100000765925_100014798877 [0,2,0,0,0,0|1,0,1]=4 5529 B11R0.59 C=C(C)CNC(=O)C(=O)OCC 240690a_100000765925_100014798877 [0,2,0,0,0,0|1,0,1]=4 5530 B11R0.59 C=C(C)CNC(C)C(=O)NCC 2230a_100000736553_100000748629 [0,2,0,0,0,0|2,0,0]=4 5531 B11R0.59 C=C(C)CNC(C)C(=O)NCC 34a_100000736553_100000748629 [0,2,0,0,0,0|2,0,0]=4 5532 B11R0.59 C=C(C)CN[C@@H](C)C(=O)SCC 2230a_100103168634_100000748629 [0,2,0,0,0,0|1,1,0]=4 5533 B11R0.59 C=C(C)COC(C)C(=O)NCC 34a_100000210245_100000230173 [0,2,0,0,0,0|2,0,0]=4 5534 B11R0.59 C=C(C)COC(C)C(=O)OCC 34a_100000210245_100011216346 [0,2,0,0,0,0|1,0,0]=3 5535 B11R0.59 C=C(C)COC(F)C(=O)OCC 34a_100000210245_100000760018 [0,2,0,0,0,0|1,0,0]=3 5536 B11R0.59 C=C(C)CO[C@@H](C)C(=O)OCC 7a_100000751109_100000748629 [0,2,0,0,0,0|1,0,0]=3 5537 B11R0.59 C=C(C)CSC(C)C(=O)NCC 62a_100000230173_100000211660 [0,2,0,0,0,0|2,0,0]=4 5538 B11R0.59 C=C(C)CSC(C)C(=O)NCC 62a_100000748629_100000230173 [0,2,0,0,0,0|2,0,0]=4 5539 B11R0.59 C=C(C)CSC(C)C(=O)OCC 62a_100000748629_100011216346 [0,2,0,0,0,0|1,0,0]=3 5540 B11R0.59 C=C(C)CSC(C)C(=O)OCC 62a_100011216346_100000211660 [0,2,0,0,0,0|1,0,0]=3 5541 B11R0.59 C=C(C)CSC(F)C(=O)OCC 62a_100000748629_100000760018 [0,2,0,0,0,0|1,0,0]=3 5542 B11R0.59 C=C(C)CSC(F)C(=O)OCC 62a_100000760018_100000211660 [0,2,0,0,0,0|1,0,0]=3 5543 B11R0.59 C=C(F)CNC(C)C(=O)NCC 2230a_100000736553_100009893438 [0,2,0,0,0,0|2,0,0]=4 5544 B11R0.59 C=C(F)CNC(C)C(=O)NCC 34a_100000736553_100009893438 [0,2,0,0,0,0|2,0,0]=4 5545 B11R0.59 C=C(F)CN[C@@H](C)C(=O)SCC 2230a_100103168634_100009893438 [0,2,0,0,0,0|1,1,0]=4 5546 B11R0.59 C=C(F)COC(C)C(=O)NCC 34a_200010262243_100000230173 [0,2,0,0,0,0|2,0,0]=4 5547 B11R0.59 C=C(F)COC(C)C(=O)OCC 34a_200010262243_100011216346 [0,2,0,0,0,0|1,0,0]=3 5548 B11R0.59 C=C(F)COC(F)C(=O)OCC 34a_200010262243_100000760018 [0,2,0,0,0,0|1,0,0]=3 5549 B11R0.59 C=C(F)CO[C@@H](C)C(=O)OCC 7a_100000751109_100000042424 [0,2,0,0,0,0|1,0,0]=3 5550 B11R0.59 C=C(F)CSC(C)C(=O)NCC 62a_100000042424_100000230173 [0,2,0,0,0,0|2,0,0]=4 5551 B11R0.59 C=C(F)CSC(C)C(=O)NCC 62a_100000230173_100000042424 [0,2,0,0,0,0|2,0,0]=4 5552 B11R0.59 C=C(F)CSC(C)C(=O)OCC 62a_100000042424_100011216346 [0,2,0,0,0,0|1,0,0]=3 5553 B11R0.59 C=C(F)CSC(C)C(=O)OCC 62a_100011216346_100000042424 [0,2,0,0,0,0|1,0,0]=3 5554 B11R0.59 C=C(F)CSC(F)C(=O)OCC 62a_100000042424_100000760018 [0,2,0,0,0,0|1,0,0]=3 5555 B11R0.59 C=C(F)CSC(F)C(=O)OCC 62a_100000760018_100000042424 [0,2,0,0,0,0|1,0,0]=3 5556 B11R0.59 CCOC(=O)C(C)NCC(=O)N 2230a_100000711301_100011215307 [0,2,0,0,0,0|2,0,0]=4 5557 B11R0.59 CCOC(=O)C(C)OCC(=O)C 34a_100000211253_100011216346 [0,2,0,0,0,0|1,0,1]=4 5558 B11R0.59 CCOC(=O)C(C)SCC(=O)N 62a_100000747473_100011216346 [0,2,0,0,0,0|2,0,0]=4 5559 B11R0.59 CCOC(=O)C(C)SCC(=O)N 62a_100011216346_100000747473 [0,2,0,0,0,0|2,0,0]=4 5560 B11R0.59 CCOC(=O)C(C)SCC(=O)[O-] 62a_100011216346_100020667443 [0,2,0,0,0,0|2,0,0]=4 5561 B11R0.59 CCOC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100011216346 [0,2,0,0,0,0|2,0,0]=4 5562 B11R0.59 CCOC(=O)C(F)NCC(=O)N 2230a_100000711301_100000760018 [0,2,0,0,0,0|2,0,0]=4 5563 B11R0.59 CCOC(=O)C(F)OCC(=O)C 34a_100000211253_100000760018 [0,2,0,0,0,0|1,0,1]=4 5564 B11R0.59 CCOC(=O)C(F)SCC(=O)N 62a_100000747473_100000760018 [0,2,0,0,0,0|2,0,0]=4 5565 B11R0.59 CCOC(=O)C(F)SCC(=O)N 62a_100000760018_100000747473 [0,2,0,0,0,0|2,0,0]=4 5566 B11R0.59 CCOC(=O)C(F)SCC(=O)[O-] 62a_100000760018_100020667443 [0,2,0,0,0,0|2,0,0]=4 5567 B11R0.59 CCOC(=O)C(F)SCC(=O)[O-] 62a_100020667443_100000760018 [0,2,0,0,0,0|2,0,0]=4 5568 B11R0.59 CCOC(=O)[C@H](C)OCC(=O)N 7a_100000751109_100000187820 [0,2,0,0,0,0|2,0,0]=4 5569 B11R0.141 C=C(C)C(=O)NCC(=O)OCC 188690a_100000741813_100000185857 [0,2,0,0,0,0|1,0,1]=4 5570 B11R0.141 CCOC(=O)CCC(C)C(=O)C 1458a_100000070787_100000748298 [0,2,0,0,0,0|0,0,1]=3 5571 B11R0.141 CCOC(=O)CCC(C)N(C)C 2230a_100102631434_100000748298 [0,2,0,0,0,0|1,0,1]=4 5572 B11R0.141 CCOC(=O)CCC(C)N(C)C 269982a_100102631434_100000748298 [0,2,0,0,0,0|1,0,1]=4 5573 B11R0.141 CCOC(=O)CCN(C)C(=O)C 11a_100000745921_100015343762 [0,2,0,0,0,0|1,0,1]=4 5574 B11R0.141 CCOC(=O)CCN(C)C(=O)C 1626a_100000745921_100015343762 [0,2,0,0,0,0|1,0,1]=4 5575 B11R0.141 CCOC(=O)CCN(C)C(=O)C 240690a_100000745921_100015343762 [0,2,0,0,0,0|1,0,1]=4 5576 B11R0.141 CCOC(=O)CCN(C)C(=O)C 527a_100000745921_100103153847 [0,2,0,0,0,0|1,0,1]=4 5577 B11R0.141 CCOC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000188475 [0,2,0,0,0,0|2,0,0]=4 5578 B11R0.141 CCOC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000188475 [0,2,0,0,0,0|2,0,0]=4 5579 B11R0.141 CCOC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000188475 [0,2,0,0,0,0|2,0,0]=4 5580 B11R0.141 CCOC(=O)COC(C)C(=O)C 34a_100000212229_100000188475 [0,2,0,0,0,0|1,0,1]=4 5581 B11R0.141 CCOC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000188475 [0,2,0,0,0,0|2,0,0]=4 5582 B11R0.141 CCOC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000188475 [0,2,0,0,0,0|2,0,0]=4 5583 B11R0.141 CCOC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000188475 [0,2,0,0,0,0|2,0,0]=4 5584 B11R0.141 CCOC(=O)CSC(C)C(=O)C 62a_100000188475_100009814033 [0,2,0,0,0,0|1,0,1]=4 5585 B11R0.141 CCOC(=O)CSC(C)C(=O)C 62a_100009814033_100000188475 [0,2,0,0,0,0|1,0,1]=4 5586 B11R0.141 CCOC(=O)CSC(C)C(=O)N 62a_100000188475_100000702099 [0,2,0,0,0,0|2,0,0]=4 5587 B11R0.141 CCOC(=O)CSC(C)C(=O)N 62a_100000702099_100000188475 [0,2,0,0,0,0|2,0,0]=4 5588 B11R0.141 CCOC(=O)CSC(F)C(=O)N 62a_100000188475_100009813875 [0,2,0,0,0,0|2,0,0]=4 5589 B11R0.141 CCOC(=O)CSC(F)C(=O)N 62a_100009813875_100000188475 [0,2,0,0,0,0|2,0,0]=4 5590 B11R0.141 CCOC(=O)CSC(F)C(=O)[O-] 62a_100000188475_100020610796 [0,2,0,0,0,0|2,0,0]=4 5591 B11R0.141 CCOC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000188475 [0,2,0,0,0,0|2,0,0]=4 5592 B11R0.145 C=C(C)COCC(=O)N(C)CC 34a_100000210245_100000738999 [0,2,0,0,0,0|2,0,0]=4 5593 B11R0.145 C=C(C)CSCC(=O)N(C)CC 62a_100000738999_100000211660 [0,2,0,0,0,0|2,0,0]=4 5594 B11R0.145 C=C(C)CSCC(=O)N(C)CC 62a_100000748629_100000738999 [0,2,0,0,0,0|2,0,0]=4 5595 B11R0.145 C=C(F)COCC(=O)N(C)CC 34a_200010262243_100000738999 [0,2,0,0,0,0|2,0,0]=4 5596 B11R0.145 C=C(F)CSCC(=O)N(C)CC 62a_100000042424_100000738999 [0,2,0,0,0,0|2,0,0]=4 5597 B11R0.145 C=C(F)CSCC(=O)N(C)CC 62a_100000738999_100000042424 [0,2,0,0,0,0|2,0,0]=4 5598 B11R0.145 CCC(C)C(=O)CCCC(=O)C 1458a_100011192722_100011215641 [0,2,0,0,0,0|1,0,1]=4 5599 B11R0.145 CCC(C)C(=O)CCCC(=O)N 1458a_100011192722_100102525003 [0,2,0,0,0,0|2,0,0]=4 5600 B11R0.145 CCC(O)C(=O)CCCC(=O)C 1458a_100011196387_100011215641 [0,2,0,0,0,0|1,0,1]=4 5601 B11R0.145 CCC(O)C(=O)CCCC(=O)N 1458a_100011196387_100102525003 [0,2,0,0,0,0|2,0,0]=4 5602 B11R0.147 C=C(C)CNCC(=O)NCCC 2230a_100000174927_100000748629 [0,2,0,0,0,0|2,0,0]=4 5603 B11R0.147 C=C(C)CNCC(=O)NCCF 2230a_100000725713_100000748629 [0,2,0,0,0,0|2,0,0]=4 5604 B11R0.147 C=C(C)CNNC(=O)COCC 22a_100000729518_100000211967 [0,2,0,0,0,0|2,0,0]=4 5605 B11R0.147 C=C(C)COCC(=C)OCOC 34a_100000210245_100000042856 [0,2,0,0,0,0|2,0,0]=4 5606 B11R0.147 C=C(C)COCC(=O)NCCC 34a_100000210245_100000183358 [0,2,0,0,0,0|2,0,0]=4 5607 B11R0.147 C=C(C)COCC(=O)OCCC 34a_100000210245_200011215008 [0,2,0,0,0,0|1,0,0]=3 5608 B11R0.147 C=C(C)CSCC(=C)OCOC 62a_100000042856_100000211660 [0,2,0,0,0,0|2,0,0]=4 5609 B11R0.147 C=C(C)CSCC(=C)OCOC 62a_100000748629_100000042856 [0,2,0,0,0,0|2,0,0]=4 5610 B11R0.147 C=C(C)CSCC(=O)NCCC 62a_100000183358_100000211660 [0,2,0,0,0,0|2,0,0]=4 5611 B11R0.147 C=C(C)CSCC(=O)NCCC 62a_100000748629_100000183358 [0,2,0,0,0,0|2,0,0]=4 5612 B11R0.147 C=C(C)CSCC(=O)OCCC 62a_100000748629_200011215008 [0,2,0,0,0,0|1,0,0]=3 5613 B11R0.147 C=C(C)CSCC(=O)OCCC 62a_200011215008_100000211660 [0,2,0,0,0,0|1,0,0]=3 5614 B11R0.147 C=C(F)CNCC(=O)NCCC 2230a_100000174927_100009893438 [0,2,0,0,0,0|2,0,0]=4 5615 B11R0.147 C=C(F)CNCC(=O)NCCF 2230a_100000725713_100009893438 [0,2,0,0,0,0|2,0,0]=4 5616 B11R0.147 C=C(F)COCC(=C)OCOC 34a_200010262243_100000042856 [0,2,0,0,0,0|2,0,0]=4 5617 B11R0.147 C=C(F)COCC(=O)NCCC 34a_200010262243_100000183358 [0,2,0,0,0,0|2,0,0]=4 5618 B11R0.147 C=C(F)COCC(=O)OCCC 34a_200010262243_200011215008 [0,2,0,0,0,0|1,0,0]=3 5619 B11R0.147 C=C(F)CSCC(=C)OCOC 62a_100000042424_100000042856 [0,2,0,0,0,0|2,0,0]=4 5620 B11R0.147 C=C(F)CSCC(=C)OCOC 62a_100000042856_100000042424 [0,2,0,0,0,0|2,0,0]=4 5621 B11R0.147 C=C(F)CSCC(=O)NCCC 62a_100000042424_100000183358 [0,2,0,0,0,0|2,0,0]=4 5622 B11R0.147 C=C(F)CSCC(=O)NCCC 62a_100000183358_100000042424 [0,2,0,0,0,0|2,0,0]=4 5623 B11R0.147 C=C(F)CSCC(=O)OCCC 62a_100000042424_200011215008 [0,2,0,0,0,0|1,0,0]=3 5624 B11R0.147 C=C(F)CSCC(=O)OCCC 62a_200011215008_100000042424 [0,2,0,0,0,0|1,0,0]=3 5625 B11R0.147 C=CCOC(=O)COCC(=C)C 34a_100000210245_100000033060 [0,2,0,0,0,0|1,0,1]=4 5626 B11R0.147 C=CCOC(=O)COCC(=C)F 34a_200010262243_100000033060 [0,2,0,0,0,0|1,0,1]=4 5627 B11R0.147 C=CCOC(=O)CSCC(=C)C 62a_100000033060_100000211660 [0,2,0,0,0,0|1,0,1]=4 5628 B11R0.147 C=CCOC(=O)CSCC(=C)C 62a_100000748629_100000033060 [0,2,0,0,0,0|1,0,1]=4 5629 B11R0.147 C=CCOC(=O)CSCC(=C)F 62a_100000033060_100000042424 [0,2,0,0,0,0|1,0,1]=4 5630 B11R0.147 C=CCOC(=O)CSCC(=C)F 62a_100000042424_100000033060 [0,2,0,0,0,0|1,0,1]=4 5631 B11R0.147 CCC#CC(=O)CCCC(=O)C 1458a_100011827653_100011215641 [0,2,0,0,0,0|1,0,1]=4 5632 B11R0.147 CCC#CC(=O)CCCC(=O)N 1458a_100011827653_100102525003 [0,2,0,0,0,0|2,0,0]=4 5633 B11R0.147 CCC=CC(=O)CCCC(=O)C 1458a_100000212282_100011215641 [0,2,0,0,0,0|1,0,1]=4 5634 B11R0.147 CCC=CC(=O)CCCC(=O)N 1458a_100000212282_100102525003 [0,2,0,0,0,0|2,0,0]=4 5635 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [0,2,0,0,0,0|1,0,1]=4 5636 B11R0.147 CCCCC(=O)CCCC(=O)N 1458a_100000210183_100102525003 [0,2,0,0,0,0|2,0,0]=4 5637 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000070787_100011194427 [0,2,0,0,0,0|1,0,1]=4 5638 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000199544_200000210301 [0,2,0,0,0,0|1,0,1]=4 5639 B11R0.147 CCCNC(=O)CCCC(=O)[13CH3] 1458a_100000199544_200025704644 [0,2,0,0,0,0|1,0,1]=4 5640 B11R0.147 CCCOC(=O)CNCC(=O)N 2230a_100000711301_200011215008 [0,2,0,0,0,0|2,0,0]=4 5641 B11R0.147 CCCOC(=O)CNCC(=O)O 269956a_100016091260_200011215008 [0,2,0,0,0,0|2,0,0]=4 5642 B11R0.147 CCCOC(=O)COCC(=O)C 34a_100000211253_200011215008 [0,2,0,0,0,0|1,0,1]=4 5643 B11R0.147 CCCOC(=O)CSCC(=O)N 62a_100000747473_200011215008 [0,2,0,0,0,0|2,0,0]=4 5644 B11R0.147 CCCOC(=O)CSCC(=O)N 62a_200011215008_100000747473 [0,2,0,0,0,0|2,0,0]=4 5645 B11R0.147 CCCOC(=O)CSCC(=O)[O-] 62a_100020667443_200011215008 [0,2,0,0,0,0|2,0,0]=4 5646 B11R0.147 CCCOC(=O)CSCC(=O)[O-] 62a_200011215008_100020667443 [0,2,0,0,0,0|2,0,0]=4 5647 B11R0.147 CCOCC(=O)CCC=C(C)C 1458a_100000211967_100011217483 [0,2,0,0,0,0|0,0,2]=4 5648 B11R0.147 CCOCC(=O)CCC=C(F)F 1458a_100000211967_200009816681 [0,2,0,0,0,0|1,0,1]=4 5649 B11R0.147 CCOCC(=O)CCCC(=O)C 1458a_100000211967_100011215641 [0,2,0,0,0,0|0,0,1]=3 5650 B11R0.147 CCOCC(=O)CCCC(=O)N 1458a_100000211967_100102525003 [0,2,0,0,0,0|1,0,0]=3 5651 B11R0.147 CCOCC(=O)CCCC(C)C 1458a_100000211967_100011214892 [0,2,0,0,0,0|0,0,2]=4 5652 B11R0.147 CCOCC(=O)CCCC(C)O 1458a_100000211967_200000718107 [0,2,0,0,0,0|0,0,2]=4 5653 B11R0.147 CCOCC(=O)CCCN(C)C 1458a_100000211967_100000695564 [0,2,0,0,0,0|1,0,1]=4 5654 B11R0.147 CCOCC(=O)CCNC(=O)C 1458a_100000211967_100000189650 [0,2,0,0,0,0|1,0,1]=4 5655 B11R0.147 CCOCC(=O)CCNC(=O)N 1458a_100000211967_200000034859 [0,2,0,0,0,0|2,0,0]=4 5656 B11R0.147 CCOCC(=O)CCOC(=O)C 1458a_100000211967_100009814007 [0,2,0,0,0,0|1,0,1]=4 5657 B11R0.147 CCOCC(=O)CCOC(=O)N 1458a_100000211967_200011214921 [0,2,0,0,0,0|2,0,0]=4 5658 B11R0.147 CCOCC(=O)NCCC(=O)N 11a_100000740010_100000211967 [0,2,0,0,0,0|2,0,0]=4 5659 B11R0.147 CCOCC(=O)NCCC(=O)N 240690a_100000740010_100000211967 [0,2,0,0,0,0|2,0,0]=4 5660 B11R0.147 CCOCC(=O)NCCC(=O)N 527a_100000740010_100000211967 [0,2,0,0,0,0|2,0,0]=4 5661 B11R0.147 CCSCC(=O)CCCC(=O)C 1458a_100000230394_100011215641 [0,2,0,0,0,0|0,1,1]=4 5662 B11R0.147 CCSCC(=O)CCCC(=O)N 1458a_100000230394_100102525003 [0,2,0,0,0,0|1,1,0]=4 5663 B11R0.147 COCCC(=O)CCCC(=O)C 1458a_100000749529_100011215641 [0,2,0,0,0,0|1,0,1]=4 5664 B11R0.147 COCCC(=O)CCCC(=O)N 1458a_100000749529_100102525003 [0,2,0,0,0,0|2,0,0]=4 5665 B11R0.147 CSCCC(=O)CCCC(=O)C 1458a_100000174002_100011215641 [0,2,0,0,0,0|1,0,1]=4 5666 B11R0.147 CSCCC(=O)CCCC(=O)N 1458a_100000174002_100102525003 [0,2,0,0,0,0|2,0,0]=4 5667 B11R0.68 C=CCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000754431 [0,2,0,0,0,0|1,0,1]=4 5668 B11R0.68 C=CCCN(C)C(=O)CC(C)C 11a_100020639649_100000210554 [0,2,0,0,0,0|2,0,0]=4 5669 B11R0.68 C=CCCN(C)C(=O)CC(C)C 1626a_100020639649_100000210554 [0,2,0,0,0,0|2,0,0]=4 5670 B11R0.68 C=CCCN(C)C(=O)CC(C)C 240690a_100020639649_100000210554 [0,2,0,0,0,0|2,0,0]=4 5671 B11R0.68 C=CCCN(C)C(=O)CC(C)C 527a_100020639649_100000210554 [0,2,0,0,0,0|2,0,0]=4 5672 B11R0.68 C=CCCN(C)C(=O)C[C@@H](C)O 240690a_100020639649_100011933948 [0,2,0,0,0,0|2,0,0]=4 5673 B11R0.68 C=CCCN(C)C(=O)NC(C)C 2708a_100138425928_100020639649 [0,2,0,0,0,0|2,0,0]=4 5674 B11R0.68 C=CCCN(C)C(=O)NC(C)C 273464a_100138425928_100020639649 [0,2,0,0,0,0|2,0,0]=4 5675 B11R0.68 C=CCNC(C)C(=O)NC(C)C 2230a_100015205314_100000210623 [0,2,0,0,0,0|2,0,0]=4 5676 B11R0.68 C=CCNC(C)C(=O)NC(C)C 2230a_100020586998_100000195394 [0,2,0,0,0,0|2,0,0]=4 5677 B11R0.68 C=CCNC(C)C(=O)NC(C)C 34a_100015205314_100015514636 [0,2,0,0,0,0|2,0,0]=4 5678 B11R0.68 C=CCOC(C)C(=O)NC(C)C 34a_200000210373_100000195394 [0,2,0,0,0,0|2,0,0]=4 5679 B11R0.68 C=CCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100015514636 [0,2,0,0,0,0|1,0,0]=3 5680 B11R0.68 C=CCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100015514636 [0,2,0,0,0,0|1,0,0]=3 5681 B11R0.68 C=CCSC(C)C(=O)CC(C)C 1458a_100000230602_100000210624 [0,2,0,0,0,0|2,0,0]=4 5682 B11R0.68 C=CCSC(C)C(=O)CC(C)O 1458a_100000230602_100011218427 [0,2,0,0,0,0|2,0,0]=4 5683 B11R0.68 C=CCSC(C)C(=O)NC(C)C 11a_100138425928_100000230602 [0,2,0,0,0,0|2,0,0]=4 5684 B11R0.68 C=CCSC(C)C(=O)NC(C)C 1626a_100138425928_100000230602 [0,2,0,0,0,0|2,0,0]=4 5685 B11R0.68 C=CCSC(C)C(=O)NC(C)C 240690a_100138425928_100000230602 [0,2,0,0,0,0|2,0,0]=4 5686 B11R0.68 C=CCSC(C)C(=O)NC(C)C 527a_100138425928_100000230602 [0,2,0,0,0,0|2,0,0]=4 5687 B11R0.68 C=CCSC(C)C(=O)NC(C)C 62a_100000195394_100000210623 [0,2,0,0,0,0|2,0,0]=4 5688 B11R0.68 C=CCSC(C)C(=O)NC(C)C 62a_100000210623_100000195394 [0,2,0,0,0,0|2,0,0]=4 5689 B11R0.68 CC(C)OC(=O)[C@@H](C)OCC=O 34a_100015307928_200009817547 [0,2,0,0,0,0|2,0,0]=4 5690 B11R0.68 CC(C)OC(=O)[C@@H](C)OCC=O 7a_100015307928_200015260668 [0,2,0,0,0,0|2,0,0]=4 5691 B11R0.107 C=CC(=O)CCC(=O)NC(C)C 1458a_100000185746_100000737564 [0,2,0,0,0,0|1,0,1]=4 5692 B11R0.107 C=CC(=O)CCC(=O)OC(C)C 1458a_100000185746_100000760027 [0,2,0,0,0,0|0,0,1]=3 5693 B11R0.107 C=CC(=O)COC(=O)OC(C)C 1458a_100000185746_100000003507 [0,2,0,0,0,0|1,0,1]=4 5694 B11R0.107 C=CC(C)OCC(=O)NC(C)C 34a_100000695699_100000183996 [0,2,0,0,0,0|2,0,0]=4 5695 B11R0.107 C=CC(C)OCC(=O)OC(C)C 34a_100000695699_100011215430 [0,2,0,0,0,0|1,0,0]=3 5696 B11R0.107 C=CC(C)SCC(=O)NC(C)C 62a_100011215867_100000183996 [0,2,0,0,0,0|2,0,0]=4 5697 B11R0.107 C=CC(C)SCC(=O)OC(C)C 62a_100011215867_100011215430 [0,2,0,0,0,0|1,0,0]=3 5698 B11R0.139 C=CCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000757094 [0,2,0,0,0,0|2,0,0]=4 5699 B11R0.139 C=CCCCC(=O)C(C)C(=O)C 1458a_100000766728_100000179758 [0,2,0,0,0,0|1,0,1]=4 5700 B11R0.139 C=CCCCC(=O)C(C)C(C)C 1458a_100000755409_100000757094 [0,2,0,0,0,0|1,0,0]=3 5701 B11R0.139 C=CCCCC(=O)N(C)C(C)C 11a_200000211004_100000766728 [0,2,0,0,0,0|1,0,0]=3 5702 B11R0.139 C=CCCCC(=O)N(C)C(C)C 1626a_200000211004_100000766728 [0,2,0,0,0,0|1,0,0]=3 5703 B11R0.139 C=CCCCC(=O)N(C)C(C)C 240690a_200000211004_100000766728 [0,2,0,0,0,0|1,0,0]=3 5704 B11R0.139 C=CCCCC(=O)N(C)C(C)C 527a_200000211004_100000766728 [0,2,0,0,0,0|1,0,0]=3 5705 B11R0.139 C=CCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000757094 [0,2,0,0,0,0|2,0,0]=4 5706 B11R0.139 C=CCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000757094 [0,2,0,0,0,0|1,0,0]=3 5707 B11R0.139 C=CCCNC(=O)C(C)C(C)C 11a_100015191253_100000755409 [0,2,0,0,0,0|2,0,0]=4 5708 B11R0.139 C=CCCNC(=O)C(C)C(C)C 1626a_100015191253_100000755409 [0,2,0,0,0,0|2,0,0]=4 5709 B11R0.139 C=CCCNC(=O)C(C)C(C)C 240690a_100015191253_100000755409 [0,2,0,0,0,0|2,0,0]=4 5710 B11R0.139 C=CCCNC(=O)C(C)C(C)C 527a_100015191253_100000755409 [0,2,0,0,0,0|2,0,0]=4 5711 B11R0.139 C=CCCNC(=O)N(C)C(C)C 2708a_100015191253_200000211004 [0,2,0,0,0,0|2,0,0]=4 5712 B11R0.139 C=CCCNC(=O)N(C)C(C)C 273464a_100015191253_200000211004 [0,2,0,0,0,0|2,0,0]=4 5713 B11R0.139 C=CCCNC(=O)[C@H](O)C(C)C 240690a_100015191253_100000691806 [0,2,0,0,0,0|2,0,0]=4 5714 B11R0.139 C=CCNCC(=O)N(C)C(C)C 2230a_100020586998_100000230190 [0,2,0,0,0,0|2,0,0]=4 5715 B11R0.139 C=CCOCC(=O)N(C)C(C)C 34a_200000210373_100000230190 [0,2,0,0,0,0|2,0,0]=4 5716 B11R0.139 C=CCSCC(=O)N(C)C(C)C 11a_200000211004_100000230395 [0,2,0,0,0,0|2,0,0]=4 5717 B11R0.139 C=CCSCC(=O)N(C)C(C)C 1626a_200000211004_100000230395 [0,2,0,0,0,0|2,0,0]=4 5718 B11R0.139 C=CCSCC(=O)N(C)C(C)C 240690a_200000211004_100000230395 [0,2,0,0,0,0|2,0,0]=4 5719 B11R0.139 C=CCSCC(=O)N(C)C(C)C 527a_200000211004_100000230395 [0,2,0,0,0,0|2,0,0]=4 5720 B11R0.139 C=CCSCC(=O)N(C)C(C)C 62a_100000210623_100000230190 [0,2,0,0,0,0|2,0,0]=4 5721 B11R0.139 C=CCSCC(=O)N(C)C(C)C 62a_100000230190_100000210623 [0,2,0,0,0,0|2,0,0]=4 5722 B11R0.139 C=COCCC(=O)C(C)C(C)C 1458a_100000755409_100000039644 [0,2,0,0,0,0|2,0,0]=4 5723 B11R0.139 C=COCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000039644 [0,2,0,0,0,0|2,0,0]=4 5724 B11R0.154 C#CC(C)NC(=O)CCCC=C 11a_100000707721_100000766728 [0,2,0,0,0,0|1,0,0]=3 5725 B11R0.154 C#CC(C)NC(=O)CCCC=C 1626a_100000707721_100000766728 [0,2,0,0,0,0|1,0,0]=3 5726 B11R0.154 C#CC(C)NC(=O)CCCC=C 240690a_100000707721_100000766728 [0,2,0,0,0,0|1,0,0]=3 5727 B11R0.154 C#CC(C)NC(=O)CCCC=C 527a_100000707721_100000766728 [0,2,0,0,0,0|1,0,0]=3 5728 B11R0.154 C#CC(C)NC(=O)CSCC=C 11a_100000707721_100000230395 [0,2,0,0,0,0|2,0,0]=4 5729 B11R0.154 C#CC(C)NC(=O)CSCC=C 1626a_100000707721_100000230395 [0,2,0,0,0,0|2,0,0]=4 5730 B11R0.154 C#CC(C)NC(=O)CSCC=C 240690a_100000707721_100000230395 [0,2,0,0,0,0|2,0,0]=4 5731 B11R0.154 C#CC(C)NC(=O)CSCC=C 527a_100000707721_100000230395 [0,2,0,0,0,0|2,0,0]=4 5732 B11R0.154 C#CC(C)NC(=O)NCCC=C 2708a_100000707721_100015191253 [0,2,0,0,0,0|2,0,0]=4 5733 B11R0.154 C#CC(C)NC(=O)NCCC=C 2708a_100015191253_100000707721 [0,2,0,0,0,0|2,0,0]=4 5734 B11R0.154 C#CC(C)NC(=O)NCCC=C 273464a_100000707721_100015191253 [0,2,0,0,0,0|2,0,0]=4 5735 B11R0.154 C#CC(C)NC(=O)NCCC=C 273464a_100015191253_100000707721 [0,2,0,0,0,0|2,0,0]=4 5736 B11R0.154 C#CC(C)NC(=O)NCCC=C 512a_100000707721_100015191253 [0,2,0,0,0,0|2,0,0]=4 5737 B11R0.154 C#CC(C)NC(=O)NCCC=C 512a_100015191253_100000707721 [0,2,0,0,0,0|2,0,0]=4 5738 B11R0.154 C=CCCCC(=O)C=C(C)CC 1458a_100020758463_100000757094 [0,2,0,0,0,0|1,0,0]=3 5739 B11R0.154 C=CCCCC(=O)CC(=O)CC 1458a_100000766728_100000747405 [0,2,0,0,0,0|1,0,0]=3 5740 B11R0.154 C=CCCCC(=O)CC(=O)NC 1458a_100000766728_100000183359 [0,2,0,0,0,0|1,0,1]=4 5741 B11R0.154 C=CCCCC(=O)CC(=O)OC 1458a_100000211351_100000757094 [0,2,0,0,0,0|1,0,1]=4 5742 B11R0.154 C=CCCCC(=O)CC(=O)OC 1458a_100000766728_100000747449 [0,2,0,0,0,0|1,0,1]=4 5743 B11R0.154 C=CCCCC(=O)CC(C)C=C 1458a_100011934298_100000757094 [0,2,0,0,0,0|1,0,0]=3 5744 B11R0.154 C=CCCCC(=O)CC(C)CC 1458a_100000708755_100000757094 [0,2,0,0,0,0|1,0,0]=3 5745 B11R0.154 C=CCCCC(=O)CC(C)CC 1458a_100000766728_100000748023 [0,2,0,0,0,0|1,0,0]=3 5746 B11R0.154 C=CCCCC(=O)CC(O)CC 1458a_100000766728_100011218378 [0,2,0,0,0,0|1,0,0]=3 5747 B11R0.154 C=CCCCC(=O)CC(O)CC 1458a_100011667805_100000757094 [0,2,0,0,0,0|1,0,0]=3 5748 B11R0.154 C=CCCCC(=O)CN(C)CC 1458a_100116209913_100000757094 [0,2,0,0,0,0|1,0,0]=3 5749 B11R0.154 C=CCCCC(=O)C[C@@H](C)CC 1458a_100000766728_100009816398 [0,2,0,0,0,0|1,0,0]=3 5750 B11R0.154 C=CCCCC(=O)C[C@@H](C)CO 1458a_100000766728_100000059175 [0,2,0,0,0,0|1,0,0]=3 5751 B11R0.154 C=CCCCC(=O)NC(C)C#N 11a_100000737613_100000766728 [0,2,0,0,0,0|1,0,0]=3 5752 B11R0.154 C=CCCCC(=O)NC(C)C#N 1626a_100000737613_100000766728 [0,2,0,0,0,0|1,0,0]=3 5753 B11R0.154 C=CCCCC(=O)NC(C)C#N 527a_100000737613_100000766728 [0,2,0,0,0,0|1,0,0]=3 5754 B11R0.154 C=CCCCC(=O)NC(C)CC 11a_100000209981_100000766728 [0,2,0,0,0,0|1,0,0]=3 5755 B11R0.154 C=CCCCC(=O)NC(C)CC 1626a_100000209981_100000766728 [0,2,0,0,0,0|1,0,0]=3 5756 B11R0.154 C=CCCCC(=O)NC(C)CC 240690a_100000209981_100000766728 [0,2,0,0,0,0|1,0,0]=3 5757 B11R0.154 C=CCCCC(=O)NC(C)CC 527a_100000209981_100000766728 [0,2,0,0,0,0|1,0,0]=3 5758 B11R0.154 C=CCCCC(=O)N[C@H](C)CF 11a_100102880703_100000766728 [0,2,0,0,0,0|1,0,0]=3 5759 B11R0.154 C=CCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000766728 [0,2,0,0,0,0|1,0,0]=3 5760 B11R0.154 C=CCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000766728 [0,2,0,0,0,0|1,0,0]=3 5761 B11R0.154 C=CCCCC(=O)N[C@H](C)CF 527a_100102880703_100000766728 [0,2,0,0,0,0|1,0,0]=3 5762 B11R0.154 C=CCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000766728 [0,2,0,0,0,0|1,0,0]=3 5763 B11R0.154 C=CCCCC(=O)N[C@H](C)CO 527a_100000737577_100000766728 [0,2,0,0,0,0|1,0,0]=3 5764 B11R0.154 C=CCCNC(=O)C=C(C)CC 11a_100015191253_100020758463 [0,2,0,0,0,0|2,0,0]=4 5765 B11R0.154 C=CCCNC(=O)C=C(C)CC 1626a_100015191253_100020758463 [0,2,0,0,0,0|2,0,0]=4 5766 B11R0.154 C=CCCNC(=O)C=C(C)CC 240690a_100015191253_100020758463 [0,2,0,0,0,0|2,0,0]=4 5767 B11R0.154 C=CCCNC(=O)CC(C)C=C 11a_100015191253_100011934298 [0,2,0,0,0,0|2,0,0]=4 5768 B11R0.154 C=CCCNC(=O)CC(C)C=C 1626a_100015191253_100011934298 [0,2,0,0,0,0|2,0,0]=4 5769 B11R0.154 C=CCCNC(=O)CC(C)C=C 240690a_100015191253_100011934298 [0,2,0,0,0,0|2,0,0]=4 5770 B11R0.154 C=CCCNC(=O)CC(C)C=C 527a_100015191253_100011934298 [0,2,0,0,0,0|2,0,0]=4 5771 B11R0.154 C=CCCNC(=O)CC(C)CC 11a_100015191253_100000708755 [0,2,0,0,0,0|2,0,0]=4 5772 B11R0.154 C=CCCNC(=O)CC(C)CC 1626a_100015191253_100000708755 [0,2,0,0,0,0|2,0,0]=4 5773 B11R0.154 C=CCCNC(=O)CC(C)CC 240690a_100015191253_100000708755 [0,2,0,0,0,0|2,0,0]=4 5774 B11R0.154 C=CCCNC(=O)CC(C)CC 527a_100015191253_100000708755 [0,2,0,0,0,0|2,0,0]=4 5775 B11R0.154 C=CCCNC(=O)CC(O)CC 1626a_100015191253_100011667805 [0,2,0,0,0,0|2,0,0]=4 5776 B11R0.154 C=CCCNC(=O)CC(O)CC 240690a_100015191253_100011667805 [0,2,0,0,0,0|2,0,0]=4 5777 B11R0.154 C=CCCNC(=O)CN(C)CC 240690a_100015191253_100116209913 [0,2,0,0,0,0|2,0,0]=4 5778 B11R0.154 C=CCCNC(=O)CN(C)CC 527a_100015191253_100116209913 [0,2,0,0,0,0|2,0,0]=4 5779 B11R0.154 C=CCCNC(=O)NC(C)C#N 2708a_100000737613_100015191253 [0,2,0,0,0,0|2,0,0]=4 5780 B11R0.154 C=CCCNC(=O)NC(C)C#N 2708a_100015191253_100000737613 [0,2,0,0,0,0|2,0,0]=4 5781 B11R0.154 C=CCCNC(=O)NC(C)C#N 273464a_100000737613_100015191253 [0,2,0,0,0,0|2,0,0]=4 5782 B11R0.154 C=CCCNC(=O)NC(C)C#N 273464a_100015191253_100000737613 [0,2,0,0,0,0|2,0,0]=4 5783 B11R0.154 C=CCCNC(=O)NC(C)C#N 512a_100000737613_100015191253 [0,2,0,0,0,0|2,0,0]=4 5784 B11R0.154 C=CCCNC(=O)NC(C)C#N 512a_100015191253_100000737613 [0,2,0,0,0,0|2,0,0]=4 5785 B11R0.154 C=CCCNC(=O)NC(C)CC 2708a_100000209981_100015191253 [0,2,0,0,0,0|2,0,0]=4 5786 B11R0.154 C=CCCNC(=O)NC(C)CC 2708a_100015191253_100000209981 [0,2,0,0,0,0|2,0,0]=4 5787 B11R0.154 C=CCCNC(=O)NC(C)CC 273464a_100000209981_100015191253 [0,2,0,0,0,0|2,0,0]=4 5788 B11R0.154 C=CCCNC(=O)NC(C)CC 273464a_100015191253_100000209981 [0,2,0,0,0,0|2,0,0]=4 5789 B11R0.154 C=CCCNC(=O)NC(C)CC 512a_100000209981_100015191253 [0,2,0,0,0,0|2,0,0]=4 5790 B11R0.154 C=CCCNC(=O)NC(C)CC 512a_100015191253_100000209981 [0,2,0,0,0,0|2,0,0]=4 5791 B11R0.154 C=CCCNC(=O)N[C@H](C)CF 2708a_100015191253_100102880703 [0,2,0,0,0,0|2,0,0]=4 5792 B11R0.154 C=CCCNC(=O)N[C@H](C)CF 273464a_100015191253_100102880703 [0,2,0,0,0,0|2,0,0]=4 5793 B11R0.154 C=CCCNC(=O)N[C@H](C)CF 273464a_100102880703_100015191253 [0,2,0,0,0,0|2,0,0]=4 5794 B11R0.154 C=CCCNC(=O)N[C@H](C)CF 512a_100015191253_100102880703 [0,2,0,0,0,0|2,0,0]=4 5795 B11R0.154 C=CCCNC(=O)N[C@H](C)CF 512a_100102880703_100015191253 [0,2,0,0,0,0|2,0,0]=4 5796 B11R0.154 C=CCCNC(=O)N[C@H](C)CO 2708a_100015191253_100000737577 [0,2,0,0,0,0|2,0,0]=4 5797 B11R0.154 C=CCCNC(=O)N[C@H](C)CO 273464a_100000737577_100015191253 [0,2,0,0,0,0|2,0,0]=4 5798 B11R0.154 C=CCCNC(=O)N[C@H](C)CO 512a_100000737577_100015191253 [0,2,0,0,0,0|2,0,0]=4 5799 B11R0.154 C=CCCNC(=O)N[C@H](C)CO 512a_100015191253_100000737577 [0,2,0,0,0,0|2,0,0]=4 5800 B11R0.154 C=CCNCC(=O)NC(C)CC 2230a_100020586998_100000182745 [0,2,0,0,0,0|2,0,0]=4 5801 B11R0.154 C=CCOCC(=O)NC(C)CC 34a_200000210373_100000182745 [0,2,0,0,0,0|2,0,0]=4 5802 B11R0.154 C=CCSCC(=O)CC(=O)CC 1458a_100000230395_100000747405 [0,2,0,0,0,0|2,0,0]=4 5803 B11R0.154 C=CCSCC(=O)CC(C)CC 1458a_100000230395_100000748023 [0,2,0,0,0,0|2,0,0]=4 5804 B11R0.154 C=CCSCC(=O)CC(O)CC 1458a_100000230395_100011218378 [0,2,0,0,0,0|2,0,0]=4 5805 B11R0.154 C=CCSCC(=O)C[C@@H](C)CC 1458a_100000230395_100009816398 [0,2,0,0,0,0|2,0,0]=4 5806 B11R0.154 C=CCSCC(=O)C[C@@H](C)CO 1458a_100000230395_100000059175 [0,2,0,0,0,0|2,0,0]=4 5807 B11R0.154 C=CCSCC(=O)NC(C)C#N 11a_100000737613_100000230395 [0,2,0,0,0,0|2,0,0]=4 5808 B11R0.154 C=CCSCC(=O)NC(C)C#N 1626a_100000737613_100000230395 [0,2,0,0,0,0|2,0,0]=4 5809 B11R0.154 C=CCSCC(=O)NC(C)C#N 527a_100000737613_100000230395 [0,2,0,0,0,0|2,0,0]=4 5810 B11R0.154 C=CCSCC(=O)NC(C)CC 11a_100000209981_100000230395 [0,2,0,0,0,0|2,0,0]=4 5811 B11R0.154 C=CCSCC(=O)NC(C)CC 1626a_100000209981_100000230395 [0,2,0,0,0,0|2,0,0]=4 5812 B11R0.154 C=CCSCC(=O)NC(C)CC 240690a_100000209981_100000230395 [0,2,0,0,0,0|2,0,0]=4 5813 B11R0.154 C=CCSCC(=O)NC(C)CC 527a_100000209981_100000230395 [0,2,0,0,0,0|2,0,0]=4 5814 B11R0.154 C=CCSCC(=O)NC(C)CC 62a_100000182745_100000210623 [0,2,0,0,0,0|2,0,0]=4 5815 B11R0.154 C=CCSCC(=O)NC(C)CC 62a_100000210623_100000182745 [0,2,0,0,0,0|2,0,0]=4 5816 B11R0.154 C=CCSCC(=O)N[C@H](C)CF 11a_100102880703_100000230395 [0,2,0,0,0,0|2,0,0]=4 5817 B11R0.154 C=CCSCC(=O)N[C@H](C)CF 1626a_100102880703_100000230395 [0,2,0,0,0,0|2,0,0]=4 5818 B11R0.154 C=CCSCC(=O)N[C@H](C)CF 240690a_100102880703_100000230395 [0,2,0,0,0,0|2,0,0]=4 5819 B11R0.154 C=CCSCC(=O)N[C@H](C)CF 527a_100102880703_100000230395 [0,2,0,0,0,0|2,0,0]=4 5820 B11R0.154 C=CCSCC(=O)N[C@H](C)CO 240690a_100000737577_100000230395 [0,2,0,0,0,0|2,0,0]=4 5821 B11R0.154 C=CCSCC(=O)N[C@H](C)CO 527a_100000737577_100000230395 [0,2,0,0,0,0|2,0,0]=4 5822 B11R0.154 C=COCCC(=O)C=C(C)CC 1458a_100020758463_100000039644 [0,2,0,0,0,0|2,0,0]=4 5823 B11R0.154 C=COCCC(=O)CC(C)C=C 1458a_100011934298_100000039644 [0,2,0,0,0,0|2,0,0]=4 5824 B11R0.154 C=COCCC(=O)CC(C)CC 1458a_100000708755_100000039644 [0,2,0,0,0,0|2,0,0]=4 5825 B11R0.154 C=COCCC(=O)CC(O)CC 1458a_100011667805_100000039644 [0,2,0,0,0,0|2,0,0]=4 5826 B11R0.154 C=COCCC(=O)CN(C)CC 1458a_100116209913_100000039644 [0,2,0,0,0,0|2,0,0]=4 5827 B11R0.165 C=CCCCC(=O)CC(C)(C)C 1458a_100000211214_100000757094 [0,2,0,0,0,0|1,0,0]=3 5828 B11R0.165 C=CCCCC(=O)CC(C)(C)O 1458a_100000693243_100000757094 [0,2,0,0,0,0|1,0,0]=3 5829 B11R0.165 C=CCCCC(=O)CC(F)(F)F 1458a_100000245130_100000757094 [0,2,0,0,0,0|2,0,0]=4 5830 B11R0.165 C=CCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000757094 [0,2,0,0,0,0|2,0,0]=4 5831 B11R0.165 C=CCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000757094 [0,2,0,0,0,0|2,0,0]=4 5832 B11R0.165 C=CCCCC(=O)C[Si](C)(C)C 1458a_100000766728_100000233785 [0,2,0,0,0,0|1,1,0]=4 5833 B11R0.165 C=CCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000757094 [0,2,0,0,0,0|1,1,0]=4 5834 B11R0.165 C=CCCCC(=O)NC(C)(C)C 11a_100000715429_100000766728 [0,2,0,0,0,0|1,0,0]=3 5835 B11R0.165 C=CCCCC(=O)NC(C)(C)C 1626a_100000715429_100000766728 [0,2,0,0,0,0|1,0,0]=3 5836 B11R0.165 C=CCCCC(=O)NC(C)(C)C 240690a_100000715429_100000766728 [0,2,0,0,0,0|1,0,0]=3 5837 B11R0.165 C=CCCCC(=O)NC(C)(C)C 527a_100000715429_100000766728 [0,2,0,0,0,0|1,0,0]=3 5838 B11R0.165 C=CCCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000766728 [0,2,0,0,0,0|2,0,0]=4 5839 B11R0.165 C=CCCNC(=O)CC(C)(C)C 11a_100015191253_100000211214 [0,2,0,0,0,0|2,0,0]=4 5840 B11R0.165 C=CCCNC(=O)CC(C)(C)C 1626a_100015191253_100000211214 [0,2,0,0,0,0|2,0,0]=4 5841 B11R0.165 C=CCCNC(=O)CC(C)(C)C 240690a_100015191253_100000211214 [0,2,0,0,0,0|2,0,0]=4 5842 B11R0.165 C=CCCNC(=O)CC(C)(C)C 527a_100015191253_100000211214 [0,2,0,0,0,0|2,0,0]=4 5843 B11R0.165 C=CCCNC(=O)CC(C)(C)O 527a_100015191253_100000693243 [0,2,0,0,0,0|2,0,0]=4 5844 B11R0.165 C=CCCNC(=O)NC(C)(C)C 2708a_100015191253_100000715429 [0,2,0,0,0,0|2,0,0]=4 5845 B11R0.165 C=CCCNC(=O)NC(C)(C)C 273464a_100000715429_100015191253 [0,2,0,0,0,0|2,0,0]=4 5846 B11R0.165 C=CCCNC(=O)NC(C)(C)C 273464a_100015191253_100000715429 [0,2,0,0,0,0|2,0,0]=4 5847 B11R0.165 C=CCCNC(=O)NC(C)(C)C 512a_100000715429_100015191253 [0,2,0,0,0,0|2,0,0]=4 5848 B11R0.165 C=CCNCC(=O)NC(C)(C)C 2230a_100000174917_100000210623 [0,2,0,0,0,0|2,0,0]=4 5849 B11R0.165 C=CCNCC(=O)NC(C)(C)C 2230a_100020586998_100000182746 [0,2,0,0,0,0|2,0,0]=4 5850 B11R0.165 C=CCNCC(=O)NC(C)(C)C 34a_100000174917_100015514636 [0,2,0,0,0,0|2,0,0]=4 5851 B11R0.165 C=CCNCC(=O)OC(C)(C)C 2230a_100020586998_100000183872 [0,2,0,0,0,0|1,0,0]=3 5852 B11R0.165 C=CCNCC(=O)O[Si](C)(C)C 2230a_100020586998_200009813336 [0,2,0,0,0,0|1,1,0]=4 5853 B11R0.165 C=CCOCC(=O)NC(C)(C)C 34a_200000210373_100000182746 [0,2,0,0,0,0|2,0,0]=4 5854 B11R0.165 C=CCOCC(=O)OC(C)(C)C 34a_100000752683_100015514636 [0,2,0,0,0,0|1,0,0]=3 5855 B11R0.165 C=CCOCC(=O)OC(C)(C)C 34a_200000210373_100000183872 [0,2,0,0,0,0|1,0,0]=3 5856 B11R0.165 C=CCOCC(=O)O[Si](C)(C)C 34a_200000210373_200009813336 [0,2,0,0,0,0|1,1,0]=4 5857 B11R0.165 C=CCSCC(=O)NC(C)(C)C 11a_100000715429_100000230395 [0,2,0,0,0,0|2,0,0]=4 5858 B11R0.165 C=CCSCC(=O)NC(C)(C)C 1626a_100000715429_100000230395 [0,2,0,0,0,0|2,0,0]=4 5859 B11R0.165 C=CCSCC(=O)NC(C)(C)C 240690a_100000715429_100000230395 [0,2,0,0,0,0|2,0,0]=4 5860 B11R0.165 C=CCSCC(=O)NC(C)(C)C 527a_100000715429_100000230395 [0,2,0,0,0,0|2,0,0]=4 5861 B11R0.165 C=CCSCC(=O)NC(C)(C)C 62a_100000182746_100000210623 [0,2,0,0,0,0|2,0,0]=4 5862 B11R0.165 C=CCSCC(=O)NC(C)(C)C 62a_100000210623_100000182746 [0,2,0,0,0,0|2,0,0]=4 5863 B11R0.165 C=CCSCC(=O)OC(C)(C)C 62a_100000183872_100000210623 [0,2,0,0,0,0|1,0,0]=3 5864 B11R0.165 C=CCSCC(=O)OC(C)(C)C 62a_100000210623_100000183872 [0,2,0,0,0,0|1,0,0]=3 5865 B11R0.165 C=CCSCC(=O)O[Si](C)(C)C 62a_100000210623_200009813336 [0,2,0,0,0,0|1,1,0]=4 5866 B11R0.165 C=CCSCC(=O)O[Si](C)(C)C 62a_200009813336_100000210623 [0,2,0,0,0,0|1,1,0]=4 5867 B11R0.165 C=COCCC(=O)CC(C)(C)C 1458a_100000211214_100000039644 [0,2,0,0,0,0|2,0,0]=4 5868 B11R0.165 C=COCCC(=O)CC(C)(C)O 1458a_100000693243_100000039644 [0,2,0,0,0,0|2,0,0]=4 5869 B11R0.165 CC(C)(C)OC(=O)CCCO[13CH3] 34a_100000067108_200025704644 [0,2,0,0,0,0|1,0,1]=4 5870 B11R0.165 CC(C)(C)OC(=O)CCCO[13CH3] 7a_100000067108_200025704644 [0,2,0,0,0,0|1,0,1]=4 5871 B11R0.165 CC(C)(C)OC(=O)CCCS[13CH3] 62a_100000708543_200025704644 [0,2,0,0,0,0|1,0,1]=4 5872 B11R0.165 CC(C)(C)OC(=O)CCCS[13CH3] 62a_200025704644_100000708543 [0,2,0,0,0,0|1,0,1]=4 5873 B11R0.165 CC(C)(C)OC(=O)COCC=O 34a_100000752683_200009817547 [0,2,0,0,0,0|2,0,0]=4 5874 B11R0.165 CC(C)(C)OC(=O)CSCC=O 62a_100000183872_200015260668 [0,2,0,0,0,0|2,0,0]=4 5875 B11R0.165 CC(C)(C)OC(=O)CSCC=O 62a_200015260668_100000183872 [0,2,0,0,0,0|2,0,0]=4 5876 B11R0.165 CNCCCC(=O)OC(C)(C)C 2230a_106832991635_100000708543 [0,2,0,0,0,0|1,0,1]=4 5877 B11R0.165 CNCCCC(=O)OC(C)(C)C 34a_100102657272_100000708543 [0,2,0,0,0,0|1,0,1]=4 5878 B11R0.165 CNCCCC(=O)OC(C)(C)C 7a_106832991635_100000708543 [0,2,0,0,0,0|1,0,1]=4 5879 B11R0.165 COCCCC(=O)OC(C)(C)C 34a_100000067108_200000210301 [0,2,0,0,0,0|1,0,1]=4 5880 B11R0.165 COCCCC(=O)OC(C)(C)C 34a_100138415774_100000708543 [0,2,0,0,0,0|1,0,1]=4 5881 B11R0.165 COCCCC(=O)OC(C)(C)C 7a_100000067108_200000210301 [0,2,0,0,0,0|1,0,1]=4 5882 B11R0.165 CSCCCC(=O)OC(C)(C)C 62a_100000708543_200000210301 [0,2,0,0,0,0|1,0,1]=4 5883 B11R0.165 CSCCCC(=O)OC(C)(C)C 62a_200000210301_100000708543 [0,2,0,0,0,0|1,0,1]=4 5884 B11R0.11 C=CCCC(=O)C(=O)NCCC 1458a_200011297150_100000754431 [0,2,0,0,0,0|1,0,1]=4 5885 B11R0.11 C=CCCN(C)C(=O)C=CCC 11a_100020639649_100000212282 [0,2,0,0,0,0|2,0,0]=4 5886 B11R0.11 C=CCCN(C)C(=O)C=CCC 1626a_100020639649_100000212282 [0,2,0,0,0,0|2,0,0]=4 5887 B11R0.11 C=CCCN(C)C(=O)C=CCC 240690a_100020639649_100000212282 [0,2,0,0,0,0|2,0,0]=4 5888 B11R0.11 C=CCCN(C)C(=O)CCCC 11a_100020639649_100000210183 [0,2,0,0,0,0|2,0,0]=4 5889 B11R0.11 C=CCCN(C)C(=O)CCCC 1626a_100020639649_100000210183 [0,2,0,0,0,0|2,0,0]=4 5890 B11R0.11 C=CCCN(C)C(=O)CCCC 240690a_100020639649_100000210183 [0,2,0,0,0,0|2,0,0]=4 5891 B11R0.11 C=CCCN(C)C(=O)CCCC 527a_100020639649_100000210183 [0,2,0,0,0,0|2,0,0]=4 5892 B11R0.11 C=CCCN(C)C(=O)CCOC 11a_100020639649_100000749529 [0,2,0,0,0,0|2,0,0]=4 5893 B11R0.11 C=CCCN(C)C(=O)CCOC 1626a_100020639649_100000749529 [0,2,0,0,0,0|2,0,0]=4 5894 B11R0.11 C=CCCN(C)C(=O)CCOC 240690a_100020639649_100000749529 [0,2,0,0,0,0|2,0,0]=4 5895 B11R0.11 C=CCCN(C)C(=O)CCOC 527a_100020639649_100000749529 [0,2,0,0,0,0|2,0,0]=4 5896 B11R0.11 C=CCCN(C)C(=O)CCSC 11a_100020639649_100000174002 [0,2,0,0,0,0|2,0,0]=4 5897 B11R0.11 C=CCCN(C)C(=O)CCSC 1626a_100020639649_100000174002 [0,2,0,0,0,0|2,0,0]=4 5898 B11R0.11 C=CCCN(C)C(=O)CCSC 240690a_100020639649_100000174002 [0,2,0,0,0,0|2,0,0]=4 5899 B11R0.11 C=CCCN(C)C(=O)CCSC 527a_100020639649_100000174002 [0,2,0,0,0,0|2,0,0]=4 5900 B11R0.11 C=CCCN(C)C(=O)COCC 11a_100020639649_100000211967 [0,2,0,0,0,0|1,0,0]=3 5901 B11R0.11 C=CCCN(C)C(=O)COCC 1626a_100020639649_100000211967 [0,2,0,0,0,0|1,0,0]=3 5902 B11R0.11 C=CCCN(C)C(=O)COCC 240690a_100020639649_100000211967 [0,2,0,0,0,0|1,0,0]=3 5903 B11R0.11 C=CCCN(C)C(=O)COCC 527a_100020639649_100000211967 [0,2,0,0,0,0|1,0,0]=3 5904 B11R0.11 C=CCCN(C)C(=O)CSCC 11a_100020639649_100000230394 [0,2,0,0,0,0|1,1,0]=4 5905 B11R0.11 C=CCCN(C)C(=O)CSCC 1626a_100020639649_100000230394 [0,2,0,0,0,0|1,1,0]=4 5906 B11R0.11 C=CCCN(C)C(=O)CSCC 240690a_100020639649_100000230394 [0,2,0,0,0,0|1,1,0]=4 5907 B11R0.11 C=CCCN(C)C(=O)CSCC 527a_100020639649_100000230394 [0,2,0,0,0,0|1,1,0]=4 5908 B11R0.11 C=CCCN(C)C(=O)NCCC 2708a_100020643023_100020639649 [0,2,0,0,0,0|2,0,0]=4 5909 B11R0.11 C=CCCN(C)C(=O)NCCC 273464a_100020643023_100020639649 [0,2,0,0,0,0|2,0,0]=4 5910 B11R0.11 C=CCCN(C)C(=O)NCCF 273464a_100000724931_100020639649 [0,2,0,0,0,0|2,0,0]=4 5911 B11R0.11 C=CCCN(C)C(=O)NCCO 273464a_100000210304_100020639649 [0,2,0,0,0,0|2,0,0]=4 5912 B11R0.11 C=CCNC(C)C(=O)NCCC 2230a_100020586998_100000230305 [0,2,0,0,0,0|2,0,0]=4 5913 B11R0.11 C=CCNC(C)C(=O)NCCC 2230a_100025744714_100000210623 [0,2,0,0,0,0|2,0,0]=4 5914 B11R0.11 C=CCNC(C)C(=O)NCCC 34a_100025744714_100015514636 [0,2,0,0,0,0|2,0,0]=4 5915 B11R0.11 C=CCNC(C)C(=O)OCCC 2230a_100020586998_100000760410 [0,2,0,0,0,0|1,0,0]=3 5916 B11R0.11 C=CCOC(C)C(=O)NCCC 34a_200000210373_100000230305 [0,2,0,0,0,0|2,0,0]=4 5917 B11R0.11 C=CCOC(C)C(=O)OCCC 34a_100000037348_100015514636 [0,2,0,0,0,0|1,0,0]=3 5918 B11R0.11 C=CCOC(C)C(=O)OCCC 34a_200000210373_100000760410 [0,2,0,0,0,0|1,0,0]=3 5919 B11R0.11 C=CCOC(C)C(=O)OCCC 7a_100000037348_100015514636 [0,2,0,0,0,0|1,0,0]=3 5920 B11R0.11 C=CCSC(C)C(=O)CCCC 1458a_100000230602_100000210211 [0,2,0,0,0,0|2,0,0]=4 5921 B11R0.11 C=CCSC(C)C(=O)CCCF 1458a_100000230602_100011934791 [0,2,0,0,0,0|2,0,0]=4 5922 B11R0.11 C=CCSC(C)C(=O)CCCO 1458a_100000230602_100011215043 [0,2,0,0,0,0|2,0,0]=4 5923 B11R0.11 C=CCSC(C)C(=O)CCOC 1458a_100000230602_100000233755 [0,2,0,0,0,0|2,0,0]=4 5924 B11R0.11 C=CCSC(C)C(=O)CCSC 1458a_100000230602_100000751147 [0,2,0,0,0,0|2,0,0]=4 5925 B11R0.11 C=CCSC(C)C(=O)NCCC 11a_100020643023_100000230602 [0,2,0,0,0,0|2,0,0]=4 5926 B11R0.11 C=CCSC(C)C(=O)NCCC 1626a_100020643023_100000230602 [0,2,0,0,0,0|2,0,0]=4 5927 B11R0.11 C=CCSC(C)C(=O)NCCC 240690a_100020643023_100000230602 [0,2,0,0,0,0|2,0,0]=4 5928 B11R0.11 C=CCSC(C)C(=O)NCCC 527a_100020643023_100000230602 [0,2,0,0,0,0|2,0,0]=4 5929 B11R0.11 C=CCSC(C)C(=O)NCCC 62a_100000210623_100000230305 [0,2,0,0,0,0|2,0,0]=4 5930 B11R0.11 C=CCSC(C)C(=O)NCCC 62a_100000230305_100000210623 [0,2,0,0,0,0|2,0,0]=4 5931 B11R0.11 C=CCSC(C)C(=O)NCCF 11a_100000724931_100000230602 [0,2,0,0,0,0|2,0,0]=4 5932 B11R0.11 C=CCSC(C)C(=O)NCCF 1626a_100000724931_100000230602 [0,2,0,0,0,0|2,0,0]=4 5933 B11R0.11 C=CCSC(C)C(=O)NCCF 240690a_100000724931_100000230602 [0,2,0,0,0,0|2,0,0]=4 5934 B11R0.11 C=CCSC(C)C(=O)NCCF 527a_100000724931_100000230602 [0,2,0,0,0,0|2,0,0]=4 5935 B11R0.11 C=CCSC(C)C(=O)NCCO 240690a_100000210304_100000230602 [0,2,0,0,0,0|2,0,0]=4 5936 B11R0.11 C=CCSC(C)C(=O)NCCO 527a_100000210304_100000230602 [0,2,0,0,0,0|2,0,0]=4 5937 B11R0.11 C=CCSC(C)C(=O)NNCC 22a_100000756455_100000230602 [0,2,0,0,0,0|2,0,0]=4 5938 B11R0.11 C=CCSC(C)C(=O)OCCC 62a_100000210623_100000760410 [0,2,0,0,0,0|1,0,0]=3 5939 B11R0.11 C=CCSC(C)C(=O)OCCC 62a_100000760410_100000210623 [0,2,0,0,0,0|1,0,0]=3 5940 B11R0.11 CCCCC(C)C(=O)COCC 1458a_100000211967_200011215066 [0,2,0,0,0,0|0,0,2]=4 5941 B11R0.11 CCCOC(=O)C(C)OCC=O 34a_100000037348_200009817547 [0,2,0,0,0,0|2,0,0]=4 5942 B11R0.11 CCCOC(=O)C(C)OCC=O 7a_100000037348_200015260668 [0,2,0,0,0,0|2,0,0]=4 5943 B11R0.11 CCCOC(=O)C(C)SCC=O 62a_100000760410_200015260668 [0,2,0,0,0,0|2,0,0]=4 5944 B11R0.11 CCCOC(=O)C(C)SCC=O 62a_200015260668_100000760410 [0,2,0,0,0,0|2,0,0]=4 5945 B11R0.43 C=CC(C)OC(C)C(=O)NCC 34a_100000695699_100000230173 [0,2,0,0,0,0|2,0,0]=4 5946 B11R0.43 C=CC(C)OC(C)C(=O)OCC 34a_100000695699_100011216346 [0,2,0,0,0,0|1,0,0]=3 5947 B11R0.43 C=CC(C)OC(F)C(=O)OCC 34a_100000695699_100000760018 [0,2,0,0,0,0|1,0,0]=3 5948 B11R0.43 C=CC(C)SC(C)C(=O)NCC 62a_100011215867_100000230173 [0,2,0,0,0,0|2,0,0]=4 5949 B11R0.43 C=CC(C)SC(C)C(=O)OCC 62a_100011215867_100011216346 [0,2,0,0,0,0|1,0,0]=3 5950 B11R0.43 C=CC(C)SC(F)C(=O)OCC 62a_100011215867_100000760018 [0,2,0,0,0,0|1,0,0]=3 5951 B11R0.73 C=CCCN(C)C(=O)C(C)CC 11a_100020639649_100011192722 [0,2,0,0,0,0|2,0,0]=4 5952 B11R0.73 C=CCCN(C)C(=O)C(C)CC 1626a_100020639649_100011192722 [0,2,0,0,0,0|2,0,0]=4 5953 B11R0.73 C=CCCN(C)C(=O)C(C)CC 240690a_100020639649_100011192722 [0,2,0,0,0,0|2,0,0]=4 5954 B11R0.73 C=CCCN(C)C(=O)C(C)CC 527a_100020639649_100011192722 [0,2,0,0,0,0|2,0,0]=4 5955 B11R0.73 C=CCCN(C)C(=O)C(O)CC 240690a_100020639649_100011196387 [0,2,0,0,0,0|2,0,0]=4 5956 B11R0.73 C=CCNC(C)C(=O)N(C)CC 2230a_100020586998_200012002205 [0,2,0,0,0,0|2,0,0]=4 5957 B11R0.73 C=CCOC(C)C(=O)N(C)CC 34a_200000210373_200012002205 [0,2,0,0,0,0|2,0,0]=4 5958 B11R0.73 C=CCSC(C)C(=O)C(C)CC 1458a_100000230602_100000758301 [0,2,0,0,0,0|2,0,0]=4 5959 B11R0.73 C=CCSC(C)C(=O)N(C)CC 11a_100000225621_100000230602 [0,2,0,0,0,0|2,0,0]=4 5960 B11R0.73 C=CCSC(C)C(=O)N(C)CC 1626a_100000225621_100000230602 [0,2,0,0,0,0|2,0,0]=4 5961 B11R0.73 C=CCSC(C)C(=O)N(C)CC 240690a_100000225621_100000230602 [0,2,0,0,0,0|2,0,0]=4 5962 B11R0.73 C=CCSC(C)C(=O)N(C)CC 527a_100000225621_100000230602 [0,2,0,0,0,0|2,0,0]=4 5963 B11R0.73 C=CCSC(C)C(=O)N(C)CC 62a_100000210623_200012002205 [0,2,0,0,0,0|2,0,0]=4 5964 B11R0.73 C=CCSC(C)C(=O)N(C)CC 62a_200012002205_100000210623 [0,2,0,0,0,0|2,0,0]=4 5965 B11R0.191 C=CCNC(CC)C(=O)OCC 2230a_100020586998_100000212269 [0,2,0,0,0,0|1,0,0]=3 5966 B11R0.191 C=CCOC(CC)C(=O)OCC 34a_100011216719_100015514636 [0,2,0,0,0,0|1,0,0]=3 5967 B11R0.191 C=CCOC(CC)C(=O)OCC 34a_200000210373_100000212269 [0,2,0,0,0,0|1,0,0]=3 5968 B11R0.191 C=CCOC(CC)C(=O)OCC 7a_100011216719_100015514636 [0,2,0,0,0,0|1,0,0]=3 5969 B11R0.191 C=CCOC(SC)C(=O)OCC 34a_200000210373_100009893047 [0,2,0,0,0,0|1,0,0]=3 5970 B11R0.191 C=CCSC(C=O)C(=O)OCC 62a_100000053139_100000210623 [0,2,0,0,0,0|1,0,0]=3 5971 B11R0.191 C=CCSC(C=O)C(=O)OCC 62a_100000210623_100000053139 [0,2,0,0,0,0|1,0,0]=3 5972 B11R0.191 C=CCSC(CC)C(=O)OCC 62a_100000210623_100000212269 [0,2,0,0,0,0|1,0,0]=3 5973 B11R0.191 C=CCSC(CC)C(=O)OCC 62a_100000212269_100000210623 [0,2,0,0,0,0|1,0,0]=3 5974 B11R0.191 C=CCSC(SC)C(=O)OCC 62a_100000210623_100009893047 [0,2,0,0,0,0|1,0,0]=3 5975 B11R0.191 C=CCSC(SC)C(=O)OCC 62a_100009893047_100000210623 [0,2,0,0,0,0|1,0,0]=3 5976 B11R0.191 CCCCC(NC)C(=O)OCC 2230a_106832991635_200009813700 [0,2,0,0,0,0|0,0,2]=4 5977 B11R0.191 CCCCC(NC)C(=O)OCC 34a_100102657272_200009813700 [0,2,0,0,0,0|0,0,2]=4 5978 B11R0.191 CCCCC(NC)C(=O)OCC 7a_106832991635_200009813700 [0,2,0,0,0,0|0,0,2]=4 5979 B11R0.191 CCCCC(OC)C(=O)OCC 34a_100138415774_200009813700 [0,2,0,0,0,0|0,0,2]=4 5980 B11R0.191 CCCCC(OC)C(=O)OCC 34a_200011215408_200000210301 [0,2,0,0,0,0|0,0,2]=4 5981 B11R0.191 CCCCC(OC)C(=O)OCC 7a_200011215408_200000210301 [0,2,0,0,0,0|0,0,2]=4 5982 B11R0.191 CCCCC(O[13CH3])C(=O)OCC 34a_200011215408_200025704644 [0,2,0,0,0,0|0,0,2]=4 5983 B11R0.191 CCCCC(O[13CH3])C(=O)OCC 7a_200011215408_200025704644 [0,2,0,0,0,0|0,0,2]=4 5984 B11R0.191 CCCCC(SC)C(=O)OCC 62a_200000210301_200009813700 [0,2,0,0,0,0|0,0,2]=4 5985 B11R0.191 CCCCC(SC)C(=O)OCC 62a_200009813700_200000210301 [0,2,0,0,0,0|0,0,2]=4 5986 B11R0.191 CCCCC(S[13CH3])C(=O)OCC 62a_200009813700_200025704644 [0,2,0,0,0,0|0,0,2]=4 5987 B11R0.191 CCCCC(S[13CH3])C(=O)OCC 62a_200025704644_200009813700 [0,2,0,0,0,0|0,0,2]=4 5988 B11R0.191 CCOC(=O)C(C=O)SCC=O 62a_100000053139_200015260668 [0,2,0,0,0,0|2,0,0]=4 5989 B11R0.191 CCOC(=O)C(C=O)SCC=O 62a_200015260668_100000053139 [0,2,0,0,0,0|2,0,0]=4 5990 B11R0.191 CCOC(=O)C(CC)OCC=O 34a_100011216719_200009817547 [0,2,0,0,0,0|2,0,0]=4 5991 B11R0.191 CCOC(=O)C(CC)OCC=O 7a_100011216719_200015260668 [0,2,0,0,0,0|2,0,0]=4 5992 B11R0.191 CCOC(=O)C(CC)SCC=O 62a_100000212269_200015260668 [0,2,0,0,0,0|2,0,0]=4 5993 B11R0.191 CCOC(=O)C(CC)SCC=O 62a_200015260668_100000212269 [0,2,0,0,0,0|2,0,0]=4 5994 B11R0.191 CCOC(=O)C(SC)SCC=O 62a_100009893047_200015260668 [0,2,0,0,0,0|2,0,0]=4 5995 B11R0.191 CCOC(=O)C(SC)SCC=O 62a_200015260668_100009893047 [0,2,0,0,0,0|2,0,0]=4 5996 B11R0.247 C=CCNC(C)(C)C(=O)OCC 2230a_100020586998_100011216345 [0,2,0,0,0,0|1,0,0]=3 5997 B11R0.247 C=CCOC(C)(C)C(=O)CCC 1458a_200116317110_100000210303 [0,2,0,0,0,0|2,0,0]=4 5998 B11R0.247 C=CCOC(C)(C)C(=O)NCC 11a_100015525214_200116317110 [0,2,0,0,0,0|2,0,0]=4 5999 B11R0.247 C=CCOC(C)(C)C(=O)NCC 240690a_100015525214_200116317110 [0,2,0,0,0,0|2,0,0]=4 6000 B11R0.247 C=CCOC(C)(C)C(=O)NCC 527a_100015525214_200116317110 [0,2,0,0,0,0|2,0,0]=4 6001 B11R0.247 C=CCOC(C)(C)C(=O)OCC 34a_100000686869_100015514636 [0,2,0,0,0,0|1,0,0]=3 6002 B11R0.247 C=CCOC(C)(C)C(=O)OCC 7a_100000686869_100015514636 [0,2,0,0,0,0|1,0,0]=3 6003 B11R0.247 C=CCOC(F)(F)C(=O)OCC 34a_200000210373_100000210910 [0,2,0,0,0,0|1,0,0]=3 6004 B11R0.247 C=CCSC(C)(C)C(=O)OCC 62a_100000210623_100011216345 [0,2,0,0,0,0|1,0,0]=3 6005 B11R0.247 C=CCSC(C)(C)C(=O)OCC 62a_100011216345_100000210623 [0,2,0,0,0,0|1,0,0]=3 6006 B11R0.247 C=CCSC(F)(F)C(=O)OCC 62a_100000210623_100000210910 [0,2,0,0,0,0|1,0,0]=3 6007 B11R0.247 C=CCSC(F)(F)C(=O)OCC 62a_100000210910_100000210623 [0,2,0,0,0,0|1,0,0]=3 6008 B11R0.247 CCOC(=O)C(C)(C)OCC=O 34a_100000686869_200009817547 [0,2,0,0,0,0|2,0,0]=4 6009 B11R0.247 CCOC(=O)C(C)(C)OCC=O 7a_100000686869_200015260668 [0,2,0,0,0,0|2,0,0]=4 6010 B11R0.247 CCOC(=O)C(C)(C)SCC=O 62a_100011216345_200015260668 [0,2,0,0,0,0|2,0,0]=4 6011 B11R0.247 CCOC(=O)C(C)(C)SCC=O 62a_200015260668_100011216345 [0,2,0,0,0,0|2,0,0]=4 6012 B11R0.247 CCOC(=O)C(F)(F)SCC=O 62a_100000210910_200015260668 [0,2,0,0,0,0|2,0,0]=4 6013 B11R0.247 CCOC(=O)C(F)(F)SCC=O 62a_200015260668_100000210910 [0,2,0,0,0,0|2,0,0]=4 6014 B11R0.87 C=CCCCC(=O)C(C)(C)CC 1458a_100000749717_100000757094 [0,2,0,0,0,0|1,0,0]=3 6015 B11R0.87 C=CCCCC(=O)C(C)(C)CF 1458a_100000138116_100000757094 [0,2,0,0,0,0|2,0,0]=4 6016 B11R0.87 C=CCCCC(=O)C(C)(C)CO 1458a_100000749806_100000757094 [0,2,0,0,0,0|2,0,0]=4 6017 B11R0.87 C=CCCCC(=O)C(C)(C)OC 1458a_100000753492_100000757094 [0,2,0,0,0,0|2,0,0]=4 6018 B11R0.87 C=CCCCC(=O)C(C)(O)CC 1458a_100011219770_100000757094 [0,2,0,0,0,0|1,0,0]=3 6019 B11R0.87 C=CCCCC(=O)C(F)(F)CC 1458a_100000061896_100000757094 [0,2,0,0,0,0|1,0,0]=3 6020 B11R0.87 C=CCCNC(=O)C(C)(C)CC 11a_100015191253_100000749717 [0,2,0,0,0,0|2,0,0]=4 6021 B11R0.87 C=CCCNC(=O)C(C)(C)CC 1626a_100015191253_100000749717 [0,2,0,0,0,0|2,0,0]=4 6022 B11R0.87 C=CCCNC(=O)C(C)(C)CC 240690a_100015191253_100000749717 [0,2,0,0,0,0|2,0,0]=4 6023 B11R0.87 C=CCCNC(=O)C(C)(C)CC 527a_100015191253_100000749717 [0,2,0,0,0,0|2,0,0]=4 6024 B11R0.87 C=CCCNC(=O)C(C)(O)CC 240690a_100015191253_100011219770 [0,2,0,0,0,0|2,0,0]=4 6025 B11R0.87 C=CCCNC(=O)C(F)(F)CC 11a_100015191253_100000061896 [0,2,0,0,0,0|2,0,0]=4 6026 B11R0.87 C=CCCNC(=O)C(F)(F)CC 1626a_100015191253_100000061896 [0,2,0,0,0,0|2,0,0]=4 6027 B11R0.87 C=CCCNC(=O)C(F)(F)CC 240690a_100015191253_100000061896 [0,2,0,0,0,0|2,0,0]=4 6028 B11R0.87 C=CCCNC(=O)C(F)(F)CC 527a_100015191253_100000061896 [0,2,0,0,0,0|2,0,0]=4 6029 B11R0.87 C=COCCC(=O)C(C)(C)CC 1458a_100000749717_100000039644 [0,2,0,0,0,0|2,0,0]=4 6030 B11R0.87 C=COCCC(=O)C(C)(O)CC 1458a_100011219770_100000039644 [0,2,0,0,0,0|2,0,0]=4 6031 B11R0.87 C=COCCC(=O)C(F)(F)CC 1458a_100000061896_100000039644 [0,2,0,0,0,0|2,0,0]=4 6032 B11R0.120 C=CC(C)OCC(=O)N(C)CC 34a_100000695699_100000738999 [0,2,0,0,0,0|2,0,0]=4 6033 B11R0.120 C=CC(C)SCC(=O)N(C)CC 62a_100011215867_100000738999 [0,2,0,0,0,0|2,0,0]=4 6034 B11R0.157 C=CCCCC(=O)C(CC)CC 1458a_100000211163_100000757094 [0,2,0,0,0,0|1,0,0]=3 6035 B11R0.157 C=CCCCC(=O)C(CC)CC 1458a_100000766728_100000210505 [0,2,0,0,0,0|1,0,0]=3 6036 B11R0.157 C=CCCCC(=O)C(CC)OC 1458a_100000747056_100000757094 [0,2,0,0,0,0|1,0,0]=3 6037 B11R0.157 C=CCCCC(=O)C(OC)OC 1458a_100000046285_100000757094 [0,2,0,0,0,0|2,0,0]=4 6038 B11R0.157 C=CCCCC(=O)N(CC)CC 11a_100000724800_100000766728 [0,2,0,0,0,0|1,0,0]=3 6039 B11R0.157 C=CCCCC(=O)N(CC)CC 1626a_100000724800_100000766728 [0,2,0,0,0,0|1,0,0]=3 6040 B11R0.157 C=CCCCC(=O)N(CC)CC 240690a_100000724800_100000766728 [0,2,0,0,0,0|1,0,0]=3 6041 B11R0.157 C=CCCCC(=O)N(CC)CC 527a_100000724800_100000766728 [0,2,0,0,0,0|1,0,0]=3 6042 B11R0.157 C=CCCNC(=O)C(CC)CC 11a_100015191253_100000211163 [0,2,0,0,0,0|2,0,0]=4 6043 B11R0.157 C=CCCNC(=O)C(CC)CC 1626a_100015191253_100000211163 [0,2,0,0,0,0|2,0,0]=4 6044 B11R0.157 C=CCCNC(=O)C(CC)CC 240690a_100015191253_100000211163 [0,2,0,0,0,0|2,0,0]=4 6045 B11R0.157 C=CCCNC(=O)C(CC)CC 527a_100015191253_100000211163 [0,2,0,0,0,0|2,0,0]=4 6046 B11R0.157 C=CCCNC(=O)C(CC)OC 11a_100015191253_100000747056 [0,2,0,0,0,0|2,0,0]=4 6047 B11R0.157 C=CCCNC(=O)C(CC)OC 1626a_100015191253_100000747056 [0,2,0,0,0,0|2,0,0]=4 6048 B11R0.157 C=CCCNC(=O)C(CC)OC 240690a_100015191253_100000747056 [0,2,0,0,0,0|2,0,0]=4 6049 B11R0.157 C=CCCNC(=O)C(CC)OC 527a_100015191253_100000747056 [0,2,0,0,0,0|2,0,0]=4 6050 B11R0.157 C=CCCNC(=O)N(CC)CC 2708a_100015191253_100000724800 [0,2,0,0,0,0|2,0,0]=4 6051 B11R0.157 C=CCCNC(=O)N(CC)CC 273464a_100015191253_100000724800 [0,2,0,0,0,0|2,0,0]=4 6052 B11R0.157 C=CCNCC(=O)N(CC)CC 2230a_100000174916_100000210623 [0,2,0,0,0,0|2,0,0]=4 6053 B11R0.157 C=CCNCC(=O)N(CC)CC 2230a_100020586998_100000211521 [0,2,0,0,0,0|2,0,0]=4 6054 B11R0.157 C=CCOCC(=O)N(CC)CC 34a_200000210373_100000211521 [0,2,0,0,0,0|2,0,0]=4 6055 B11R0.157 C=CCOCC(=O)N(CC)CC 7a_200000238847_100015514636 [0,2,0,0,0,0|2,0,0]=4 6056 B11R0.157 C=CCSCC(=O)C(CC)CC 1458a_100000230395_100000210505 [0,2,0,0,0,0|2,0,0]=4 6057 B11R0.157 C=CCSCC(=O)N(CC)CC 11a_100000724800_100000230395 [0,2,0,0,0,0|2,0,0]=4 6058 B11R0.157 C=CCSCC(=O)N(CC)CC 1626a_100000724800_100000230395 [0,2,0,0,0,0|2,0,0]=4 6059 B11R0.157 C=CCSCC(=O)N(CC)CC 240690a_100000724800_100000230395 [0,2,0,0,0,0|2,0,0]=4 6060 B11R0.157 C=CCSCC(=O)N(CC)CC 527a_100000724800_100000230395 [0,2,0,0,0,0|2,0,0]=4 6061 B11R0.157 C=CCSCC(=O)N(CC)CC 62a_100000210623_100000211521 [0,2,0,0,0,0|2,0,0]=4 6062 B11R0.157 C=CCSCC(=O)N(CC)CC 62a_100000211521_100000210623 [0,2,0,0,0,0|2,0,0]=4 6063 B11R0.157 C=COCCC(=O)C(CC)CC 1458a_100000211163_100000039644 [0,2,0,0,0,0|2,0,0]=4 6064 B11R0.157 C=COCCC(=O)C(CC)OC 1458a_100000747056_100000039644 [0,2,0,0,0,0|2,0,0]=4 6065 B11R0.46 C#CCCCC(=O)COC(C)C 1458a_100000745533_100000731252 [0,2,0,0,0,0|0,0,2]=4 6066 B11R0.46 C=CCCCC(=O)C=CC(C)C 1458a_100016268746_100000757094 [0,2,0,0,0,0|1,0,0]=3 6067 B11R0.46 C=CCCCC(=O)CC=C(C)C 1458a_100000766728_100000761012 [0,2,0,0,0,0|1,0,1]=4 6068 B11R0.46 C=CCCCC(=O)CC=C(C)C 1458a_100011220947_100000757094 [0,2,0,0,0,0|1,0,1]=4 6069 B11R0.46 C=CCCCC(=O)CCC(=C)C 1458a_100000766728_100000730704 [0,2,0,0,0,0|1,0,0]=3 6070 B11R0.46 C=CCCCC(=O)CCC(=C)C 1458a_200000688413_100000757094 [0,2,0,0,0,0|1,0,0]=3 6071 B11R0.46 C=CCCCC(=O)CCC(=O)N 1458a_100011215257_100000757094 [0,2,0,0,0,0|1,0,1]=4 6072 B11R0.46 C=CCCCC(=O)CCC(C)C 1458a_100000181311_100000757094 [0,2,0,0,0,0|1,0,0]=3 6073 B11R0.46 C=CCCCC(=O)CCC(C)C 1458a_100000766728_100000210312 [0,2,0,0,0,0|1,0,0]=3 6074 B11R0.46 C=CCCCC(=O)CCC(C)O 1458a_100000766728_100012276601 [0,2,0,0,0,0|1,0,0]=3 6075 B11R0.46 C=CCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000757094 [0,2,0,0,0,0|2,0,0]=4 6076 B11R0.46 C=CCCCC(=O)CC[S+](C)C 1458a_100009452791_100000757094 [0,2,0,0,0,0|1,0,0]=3 6077 B11R0.46 C=CCCCC(=O)CNC(=O)C 1458a_100000194580_100000757094 [0,2,0,0,0,0|1,0,1]=4 6078 B11R0.46 C=CCCCC(=O)COC(=O)C 1458a_100000183556_100000757094 [0,2,0,0,0,0|0,0,1]=3 6079 B11R0.46 C=CCCCC(=O)COC(C)C 1458a_100000745533_100000757094 [0,2,0,0,0,0|0,0,0]=2 6080 B11R0.46 C=CCCCC(=O)COC(F)F 1458a_200000719455_100000757094 [0,2,0,0,0,0|1,0,0]=3 6081 B11R0.46 C=CCCCC(=O)CSC(=O)C 1458a_100000049016_100000757094 [0,2,0,0,0,0|0,1,1]=4 6082 B11R0.46 C=CCCCC(=O)CSC(C)C 1458a_100000241585_100000757094 [0,2,0,0,0,0|0,1,0]=3 6083 B11R0.46 C=CCCCC(=O)CSC(F)F 1458a_114828291038_100000757094 [0,2,0,0,0,0|1,1,0]=4 6084 B11R0.46 C=CCCCC(=O)NCC(=C)C 11a_100000765925_100000766728 [0,2,0,0,0,0|1,0,0]=3 6085 B11R0.46 C=CCCCC(=O)NCC(=C)C 1626a_100000765925_100000766728 [0,2,0,0,0,0|1,0,0]=3 6086 B11R0.46 C=CCCCC(=O)NCC(=C)C 240690a_100000765925_100000766728 [0,2,0,0,0,0|1,0,0]=3 6087 B11R0.46 C=CCCCC(=O)NCC(=C)C 527a_100000765925_100000766728 [0,2,0,0,0,0|1,0,0]=3 6088 B11R0.46 C=CCCCC(=O)NCC(=O)N 11a_100000711301_100000766728 [0,2,0,0,0,0|1,0,1]=4 6089 B11R0.46 C=CCCCC(=O)NCC(=O)N 240690a_100000711301_100000766728 [0,2,0,0,0,0|1,0,1]=4 6090 B11R0.46 C=CCCCC(=O)NCC(=O)N 527a_100000711301_100000766728 [0,2,0,0,0,0|1,0,1]=4 6091 B11R0.46 C=CCCCC(=O)NCC(C)C 11a_100000210953_100000766728 [0,2,0,0,0,0|1,0,0]=3 6092 B11R0.46 C=CCCCC(=O)NCC(C)C 1626a_100000210953_100000766728 [0,2,0,0,0,0|1,0,0]=3 6093 B11R0.46 C=CCCCC(=O)NCC(C)C 240690a_100000210953_100000766728 [0,2,0,0,0,0|1,0,0]=3 6094 B11R0.46 C=CCCCC(=O)NCC(C)C 527a_100000210953_100000766728 [0,2,0,0,0,0|1,0,0]=3 6095 B11R0.46 C=CCCCC(=O)NCC(C)O 11a_100000210904_100000766728 [0,2,0,0,0,0|1,0,0]=3 6096 B11R0.46 C=CCCCC(=O)NCC(C)O 240690a_100000210904_100000766728 [0,2,0,0,0,0|1,0,0]=3 6097 B11R0.46 C=CCCCC(=O)NCC(C)O 527a_100000210904_100000766728 [0,2,0,0,0,0|1,0,0]=3 6098 B11R0.46 C=CCCCC(=O)NCC(F)F 11a_100000765723_100000766728 [0,2,0,0,0,0|1,0,0]=3 6099 B11R0.46 C=CCCCC(=O)NCC(F)F 1626a_100000765723_100000766728 [0,2,0,0,0,0|1,0,0]=3 6100 B11R0.46 C=CCCCC(=O)NCC(F)F 240690a_100000765723_100000766728 [0,2,0,0,0,0|1,0,0]=3 6101 B11R0.46 C=CCCCC(=O)NCC(F)F 527a_100000765723_100000766728 [0,2,0,0,0,0|1,0,0]=3 6102 B11R0.46 C=CCCCC(=O)NNC(=O)C 22a_100000189765_100000766728 [0,2,0,0,0,0|1,0,1]=4 6103 B11R0.46 C=CCCCC(=O)NNC(C)C 22a_100000741168_100000766728 [0,2,0,0,0,0|1,0,0]=3 6104 B11R0.46 C=CCCNC(=O)C=CC(C)C 11a_100015191253_100016268746 [0,2,0,0,0,0|2,0,0]=4 6105 B11R0.46 C=CCCNC(=O)C=CC(C)C 1626a_100015191253_100016268746 [0,2,0,0,0,0|2,0,0]=4 6106 B11R0.46 C=CCCNC(=O)C=CC(C)C 240690a_100015191253_100016268746 [0,2,0,0,0,0|2,0,0]=4 6107 B11R0.46 C=CCCNC(=O)CCC(=C)C 11a_100015191253_200000688413 [0,2,0,0,0,0|2,0,0]=4 6108 B11R0.46 C=CCCNC(=O)CCC(=C)C 1626a_100015191253_200000688413 [0,2,0,0,0,0|2,0,0]=4 6109 B11R0.46 C=CCCNC(=O)CCC(=C)C 240690a_100015191253_200000688413 [0,2,0,0,0,0|2,0,0]=4 6110 B11R0.46 C=CCCNC(=O)CCC(=C)C 527a_100015191253_200000688413 [0,2,0,0,0,0|2,0,0]=4 6111 B11R0.46 C=CCCNC(=O)CCC(C)C 11a_100015191253_100000181311 [0,2,0,0,0,0|2,0,0]=4 6112 B11R0.46 C=CCCNC(=O)CCC(C)C 1626a_100015191253_100000181311 [0,2,0,0,0,0|2,0,0]=4 6113 B11R0.46 C=CCCNC(=O)CCC(C)C 240690a_100015191253_100000181311 [0,2,0,0,0,0|2,0,0]=4 6114 B11R0.46 C=CCCNC(=O)CCC(C)C 527a_100015191253_100000181311 [0,2,0,0,0,0|2,0,0]=4 6115 B11R0.46 C=CCCNC(=O)CCC(C)O 1626a_100015191253_100000718519 [0,2,0,0,0,0|2,0,0]=4 6116 B11R0.46 C=CCCNC(=O)CCN(C)C 11a_100015191253_100000689311 [0,2,0,0,0,0|2,0,0]=4 6117 B11R0.46 C=CCCNC(=O)CCN(C)C 240690a_100015191253_100000689311 [0,2,0,0,0,0|2,0,0]=4 6118 B11R0.46 C=CCCNC(=O)CCN(C)C 527a_100015191253_100000689311 [0,2,0,0,0,0|2,0,0]=4 6119 B11R0.46 C=CCCNC(=O)CC[S+](C)C 11a_100015191253_100009452791 [0,2,0,0,0,0|2,0,0]=4 6120 B11R0.46 C=CCCNC(=O)CC[S+](C)C 1626a_100015191253_100009452791 [0,2,0,0,0,0|2,0,0]=4 6121 B11R0.46 C=CCCNC(=O)CC[S+](C)C 240690a_100015191253_100009452791 [0,2,0,0,0,0|2,0,0]=4 6122 B11R0.46 C=CCCNC(=O)COC(=O)C 1626a_100015191253_100000183556 [0,2,0,0,0,0|1,0,1]=4 6123 B11R0.46 C=CCCNC(=O)COC(=O)C 240690a_100015191253_100000183556 [0,2,0,0,0,0|1,0,1]=4 6124 B11R0.46 C=CCCNC(=O)COC(=O)C 527a_100015191253_100000183556 [0,2,0,0,0,0|1,0,1]=4 6125 B11R0.46 C=CCCNC(=O)COC(C)C 11a_100015191253_100000745533 [0,2,0,0,0,0|1,0,0]=3 6126 B11R0.46 C=CCCNC(=O)COC(C)C 1626a_100015191253_100000745533 [0,2,0,0,0,0|1,0,0]=3 6127 B11R0.46 C=CCCNC(=O)COC(C)C 240690a_100015191253_100000745533 [0,2,0,0,0,0|1,0,0]=3 6128 B11R0.46 C=CCCNC(=O)COC(C)C 527a_100015191253_100000745533 [0,2,0,0,0,0|1,0,0]=3 6129 B11R0.46 C=CCCNC(=O)COC(F)F 11a_100015191253_200000719455 [0,2,0,0,0,0|2,0,0]=4 6130 B11R0.46 C=CCCNC(=O)COC(F)F 1626a_100015191253_200000719455 [0,2,0,0,0,0|2,0,0]=4 6131 B11R0.46 C=CCCNC(=O)COC(F)F 240690a_100015191253_200000719455 [0,2,0,0,0,0|2,0,0]=4 6132 B11R0.46 C=CCCNC(=O)COC(F)F 527a_100015191253_200000719455 [0,2,0,0,0,0|2,0,0]=4 6133 B11R0.46 C=CCCNC(=O)CSC(C)C 11a_100015191253_100000241585 [0,2,0,0,0,0|1,1,0]=4 6134 B11R0.46 C=CCCNC(=O)CSC(C)C 1626a_100015191253_100000241585 [0,2,0,0,0,0|1,1,0]=4 6135 B11R0.46 C=CCCNC(=O)CSC(C)C 240690a_100015191253_100000241585 [0,2,0,0,0,0|1,1,0]=4 6136 B11R0.46 C=CCCNC(=O)CSC(C)C 527a_100015191253_100000241585 [0,2,0,0,0,0|1,1,0]=4 6137 B11R0.46 C=CCCNC(=O)NCC(=C)C 2708a_100000765925_100015191253 [0,2,0,0,0,0|2,0,0]=4 6138 B11R0.46 C=CCCNC(=O)NCC(=C)C 2708a_100015191253_100000765925 [0,2,0,0,0,0|2,0,0]=4 6139 B11R0.46 C=CCCNC(=O)NCC(=C)C 273464a_100000765925_100015191253 [0,2,0,0,0,0|2,0,0]=4 6140 B11R0.46 C=CCCNC(=O)NCC(=C)C 273464a_100015191253_100000765925 [0,2,0,0,0,0|2,0,0]=4 6141 B11R0.46 C=CCCNC(=O)NCC(=C)C 512a_100000765925_100015191253 [0,2,0,0,0,0|2,0,0]=4 6142 B11R0.46 C=CCCNC(=O)NCC(=C)C 512a_100015191253_100000765925 [0,2,0,0,0,0|2,0,0]=4 6143 B11R0.46 C=CCCNC(=O)NCC(C)C 2708a_100000210953_100015191253 [0,2,0,0,0,0|2,0,0]=4 6144 B11R0.46 C=CCCNC(=O)NCC(C)C 2708a_100015191253_100000210953 [0,2,0,0,0,0|2,0,0]=4 6145 B11R0.46 C=CCCNC(=O)NCC(C)C 273464a_100000210953_100015191253 [0,2,0,0,0,0|2,0,0]=4 6146 B11R0.46 C=CCCNC(=O)NCC(C)C 273464a_100015191253_100000210953 [0,2,0,0,0,0|2,0,0]=4 6147 B11R0.46 C=CCCNC(=O)NCC(C)C 512a_100000210953_100015191253 [0,2,0,0,0,0|2,0,0]=4 6148 B11R0.46 C=CCCNC(=O)NCC(C)C 512a_100015191253_100000210953 [0,2,0,0,0,0|2,0,0]=4 6149 B11R0.46 C=CCCNC(=O)NCC(C)O 2708a_100015191253_100000210904 [0,2,0,0,0,0|2,0,0]=4 6150 B11R0.46 C=CCCNC(=O)NCC(C)O 273464a_100000210904_100015191253 [0,2,0,0,0,0|2,0,0]=4 6151 B11R0.46 C=CCCNC(=O)NCC(C)O 273464a_100015191253_100000210904 [0,2,0,0,0,0|2,0,0]=4 6152 B11R0.46 C=CCCNC(=O)NCC(C)O 512a_100000210904_100015191253 [0,2,0,0,0,0|2,0,0]=4 6153 B11R0.46 C=CCCNC(=O)NCC(C)O 512a_100015191253_100000210904 [0,2,0,0,0,0|2,0,0]=4 6154 B11R0.46 C=CCCNC(=O)NCC(F)F 2708a_100015191253_100000765723 [0,2,0,0,0,0|2,0,0]=4 6155 B11R0.46 C=CCCNC(=O)NCC(F)F 273464a_100000765723_100015191253 [0,2,0,0,0,0|2,0,0]=4 6156 B11R0.46 C=CCCNC(=O)NCC(F)F 273464a_100015191253_100000765723 [0,2,0,0,0,0|2,0,0]=4 6157 B11R0.46 C=CCCNC(=O)NCC(F)F 512a_100000765723_100015191253 [0,2,0,0,0,0|2,0,0]=4 6158 B11R0.46 C=CCCNC(=O)NCC(F)F 512a_100015191253_100000765723 [0,2,0,0,0,0|2,0,0]=4 6159 B11R0.46 C=CCCNC(=O)NNC(C)C 273464a_100015191253_100000741168 [0,2,0,0,0,0|2,0,0]=4 6160 B11R0.46 C=CCCNC(=O)NNC(C)C 512a_100000741168_100015191253 [0,2,0,0,0,0|2,0,0]=4 6161 B11R0.46 C=CCCNC(=O)NNC(C)C 512a_100015191253_100000741168 [0,2,0,0,0,0|2,0,0]=4 6162 B11R0.46 C=CCNCC(=O)NCC(C)C 2230a_100020586998_100000183291 [0,2,0,0,0,0|2,0,0]=4 6163 B11R0.46 C=CCNNC(=O)COC(C)C 22a_100020588587_100000745533 [0,2,0,0,0,0|2,0,0]=4 6164 B11R0.46 C=CCOCC(=O)COC(=O)C 34a_200000210373_100000036994 [0,2,0,0,0,0|1,0,1]=4 6165 B11R0.46 C=CCOCC(=O)NCC(C)C 34a_200000210373_100000183291 [0,2,0,0,0,0|2,0,0]=4 6166 B11R0.46 C=CCSCC(=O)CCC(=C)C 1458a_100000230395_100000730704 [0,2,0,0,0,0|2,0,0]=4 6167 B11R0.46 C=CCSCC(=O)CCC(C)C 1458a_100000230395_100000210312 [0,2,0,0,0,0|2,0,0]=4 6168 B11R0.46 C=CCSCC(=O)CCC(C)O 1458a_100000230395_100012276601 [0,2,0,0,0,0|2,0,0]=4 6169 B11R0.46 C=CCSCC(=O)COC(=O)C 62a_100000036994_100000210623 [0,2,0,0,0,0|1,0,1]=4 6170 B11R0.46 C=CCSCC(=O)COC(=O)C 62a_100000210623_100000036994 [0,2,0,0,0,0|1,0,1]=4 6171 B11R0.46 C=CCSCC(=O)NCC(=C)C 11a_100000765925_100000230395 [0,2,0,0,0,0|2,0,0]=4 6172 B11R0.46 C=CCSCC(=O)NCC(=C)C 1626a_100000765925_100000230395 [0,2,0,0,0,0|2,0,0]=4 6173 B11R0.46 C=CCSCC(=O)NCC(=C)C 240690a_100000765925_100000230395 [0,2,0,0,0,0|2,0,0]=4 6174 B11R0.46 C=CCSCC(=O)NCC(=C)C 527a_100000765925_100000230395 [0,2,0,0,0,0|2,0,0]=4 6175 B11R0.46 C=CCSCC(=O)NCC(C)C 11a_100000210953_100000230395 [0,2,0,0,0,0|2,0,0]=4 6176 B11R0.46 C=CCSCC(=O)NCC(C)C 1626a_100000210953_100000230395 [0,2,0,0,0,0|2,0,0]=4 6177 B11R0.46 C=CCSCC(=O)NCC(C)C 240690a_100000210953_100000230395 [0,2,0,0,0,0|2,0,0]=4 6178 B11R0.46 C=CCSCC(=O)NCC(C)C 527a_100000210953_100000230395 [0,2,0,0,0,0|2,0,0]=4 6179 B11R0.46 C=CCSCC(=O)NCC(C)C 62a_100000183291_100000210623 [0,2,0,0,0,0|2,0,0]=4 6180 B11R0.46 C=CCSCC(=O)NCC(C)C 62a_100000210623_100000183291 [0,2,0,0,0,0|2,0,0]=4 6181 B11R0.46 C=CCSCC(=O)NCC(C)O 11a_100000210904_100000230395 [0,2,0,0,0,0|2,0,0]=4 6182 B11R0.46 C=CCSCC(=O)NCC(C)O 240690a_100000210904_100000230395 [0,2,0,0,0,0|2,0,0]=4 6183 B11R0.46 C=CCSCC(=O)NCC(C)O 527a_100000210904_100000230395 [0,2,0,0,0,0|2,0,0]=4 6184 B11R0.46 C=CCSCC(=O)NCC(F)F 11a_100000765723_100000230395 [0,2,0,0,0,0|2,0,0]=4 6185 B11R0.46 C=CCSCC(=O)NCC(F)F 1626a_100000765723_100000230395 [0,2,0,0,0,0|2,0,0]=4 6186 B11R0.46 C=CCSCC(=O)NCC(F)F 240690a_100000765723_100000230395 [0,2,0,0,0,0|2,0,0]=4 6187 B11R0.46 C=CCSCC(=O)NCC(F)F 527a_100000765723_100000230395 [0,2,0,0,0,0|2,0,0]=4 6188 B11R0.46 C=CCSCC(=O)NNC(C)C 22a_100000741168_100000230395 [0,2,0,0,0,0|2,0,0]=4 6189 B11R0.46 C=COCCC(=O)C=CC(C)C 1458a_100016268746_100000039644 [0,2,0,0,0,0|2,0,0]=4 6190 B11R0.46 C=COCCC(=O)CCC(=C)C 1458a_200000688413_100000039644 [0,2,0,0,0,0|2,0,0]=4 6191 B11R0.46 C=COCCC(=O)CCC(C)C 1458a_100000181311_100000039644 [0,2,0,0,0,0|2,0,0]=4 6192 B11R0.46 C=COCCC(=O)CC[S+](C)C 1458a_100009452791_100000039644 [0,2,0,0,0,0|2,0,0]=4 6193 B11R0.46 C=COCCC(=O)COC(=O)C 1458a_100000183556_100000039644 [0,2,0,0,0,0|1,0,1]=4 6194 B11R0.46 C=COCCC(=O)COC(C)C 1458a_100000745533_100000039644 [0,2,0,0,0,0|1,0,0]=3 6195 B11R0.46 C=COCCC(=O)COC(F)F 1458a_200000719455_100000039644 [0,2,0,0,0,0|2,0,0]=4 6196 B11R0.46 C=COCCC(=O)CSC(C)C 1458a_100000241585_100000039644 [0,2,0,0,0,0|1,1,0]=4 6197 B11R0.46 CC(C)OCC(=O)CCCC#N 1458a_100000745533_100000211468 [0,2,0,0,0,0|1,0,1]=4 6198 B11R0.46 CC(C)OCC(=O)CCCCF 1458a_100000745533_100000729493 [0,2,0,0,0,0|1,0,1]=4 6199 B11R0.46 CC(C)OCC(=O)CCCCO 1458a_100000745533_100000210776 [0,2,0,0,0,0|1,0,1]=4 6200 B11R0.46 CCCCCC(=O)COC(C)C 1458a_100000745533_100000210326 [0,2,0,0,0,0|0,0,2]=4 6201 B11R0.46 CCCCCC(=O)COC(C)C 34a_100000212225_200012276598 [0,2,0,0,0,0|0,0,2]=4 6202 B11R0.46 COCCCC(=O)COC(C)C 1458a_100000745533_100000740836 [0,2,0,0,0,0|1,0,1]=4 6203 B11R0.70 C=CC(=O)COC(=O)OCCC 1458a_100000185746_200000139673 [0,2,0,0,0,0|1,0,1]=4 6204 B11R0.70 C=CC(C)OCC(=C)OCOC 34a_100000695699_100000042856 [0,2,0,0,0,0|2,0,0]=4 6205 B11R0.70 C=CC(C)OCC(=O)NCCC 34a_100000695699_100000183358 [0,2,0,0,0,0|2,0,0]=4 6206 B11R0.70 C=CC(C)OCC(=O)OCCC 34a_100000695699_200011215008 [0,2,0,0,0,0|1,0,0]=3 6207 B11R0.70 C=CC(C)SCC(=C)OCOC 62a_100011215867_100000042856 [0,2,0,0,0,0|2,0,0]=4 6208 B11R0.70 C=CC(C)SCC(=O)NCCC 62a_100011215867_100000183358 [0,2,0,0,0,0|2,0,0]=4 6209 B11R0.70 C=CC(C)SCC(=O)OCCC 62a_100011215867_200011215008 [0,2,0,0,0,0|1,0,0]=3 6210 B11R0.70 C=CCOC(=O)COC(C)C=C 34a_100000695699_100000033060 [0,2,0,0,0,0|1,0,1]=4 6211 B11R0.70 C=CCOC(=O)CSC(C)C=C 62a_100011215867_100000033060 [0,2,0,0,0,0|1,0,1]=4 6212 B11R0.140 C#CCCCC(=O)C=COCC 1458a_100016266692_100000731252 [0,2,0,0,0,0|0,0,2]=4 6213 B11R0.140 C#CCCCC(=O)CCCC=C 1458a_100000690238_100000757094 [0,2,0,0,0,0|1,0,0]=3 6214 B11R0.140 C#CCCCC(=O)CCCC=C 1458a_100000766728_100000731252 [0,2,0,0,0,0|1,0,0]=3 6215 B11R0.140 C#CCCCC(=O)CCOC=C 1458a_100000690238_100000039644 [0,2,0,0,0,0|2,0,0]=4 6216 B11R0.140 C#CCCCC(=O)CCOCC 1458a_100000690238_100011215890 [0,2,0,0,0,0|0,0,2]=4 6217 B11R0.140 C#CCCCC(=O)CCOCC 1458a_100000749530_100000731252 [0,2,0,0,0,0|0,0,2]=4 6218 B11R0.140 C#CCCCC(=O)COCCC 1458a_100000745993_100000731252 [0,2,0,0,0,0|0,0,2]=4 6219 B11R0.140 C#CCCCC(=O)COCCO 1458a_100000708028_100000731252 [0,2,0,0,0,0|0,0,2]=4 6220 B11R0.140 C#CCCCC(=O)CSCC=C 1458a_100000230395_100000731252 [0,2,0,0,0,0|2,0,0]=4 6221 B11R0.140 C#CCCCC(=O)NCCC=C 11a_100015191253_100000690238 [0,2,0,0,0,0|2,0,0]=4 6222 B11R0.140 C#CCCCC(=O)NCCC=C 1626a_100015191253_100000690238 [0,2,0,0,0,0|2,0,0]=4 6223 B11R0.140 C#CCCCC(=O)NCCC=C 240690a_100015191253_100000690238 [0,2,0,0,0,0|2,0,0]=4 6224 B11R0.140 C#CCCCC(=O)NCCC=C 527a_100015191253_100000690238 [0,2,0,0,0,0|2,0,0]=4 6225 B11R0.140 C#CCCNC(=O)CCCC=C 11a_100000755551_100000766728 [0,2,0,0,0,0|1,0,0]=3 6226 B11R0.140 C#CCCNC(=O)CCCC=C 1626a_100000755551_100000766728 [0,2,0,0,0,0|1,0,0]=3 6227 B11R0.140 C#CCCNC(=O)CCCC=C 240690a_100000755551_100000766728 [0,2,0,0,0,0|1,0,0]=3 6228 B11R0.140 C#CCCNC(=O)CCCC=C 527a_100000755551_100000766728 [0,2,0,0,0,0|1,0,0]=3 6229 B11R0.140 C#CCCNC(=O)CSCC=C 11a_100000755551_100000230395 [0,2,0,0,0,0|2,0,0]=4 6230 B11R0.140 C#CCCNC(=O)CSCC=C 1626a_100000755551_100000230395 [0,2,0,0,0,0|2,0,0]=4 6231 B11R0.140 C#CCCNC(=O)CSCC=C 240690a_100000755551_100000230395 [0,2,0,0,0,0|2,0,0]=4 6232 B11R0.140 C#CCCNC(=O)CSCC=C 527a_100000755551_100000230395 [0,2,0,0,0,0|2,0,0]=4 6233 B11R0.140 C#CCCNC(=O)NCCC=C 2708a_100000755551_100015191253 [0,2,0,0,0,0|2,0,0]=4 6234 B11R0.140 C#CCCNC(=O)NCCC=C 2708a_100015191253_100000755551 [0,2,0,0,0,0|2,0,0]=4 6235 B11R0.140 C#CCCNC(=O)NCCC=C 273464a_100000755551_100015191253 [0,2,0,0,0,0|2,0,0]=4 6236 B11R0.140 C#CCCNC(=O)NCCC=C 273464a_100015191253_100000755551 [0,2,0,0,0,0|2,0,0]=4 6237 B11R0.140 C#CCCNC(=O)NCCC=C 512a_100000755551_100015191253 [0,2,0,0,0,0|2,0,0]=4 6238 B11R0.140 C#CCCNC(=O)NCCC=C 512a_100015191253_100000755551 [0,2,0,0,0,0|2,0,0]=4 6239 B11R0.140 C#CCOCC(=O)CCCC=C 1458a_100011251226_100000757094 [0,2,0,0,0,0|0,0,1]=3 6240 B11R0.140 C#CCOCC(=O)CCOC=C 1458a_100011251226_100000039644 [0,2,0,0,0,0|1,0,1]=4 6241 B11R0.140 C#CCOCC(=O)NCCC=C 11a_100015191253_100011251226 [0,2,0,0,0,0|1,0,1]=4 6242 B11R0.140 C#CCOCC(=O)NCCC=C 1626a_100015191253_100011251226 [0,2,0,0,0,0|1,0,1]=4 6243 B11R0.140 C#CCOCC(=O)NCCC=C 527a_100015191253_100011251226 [0,2,0,0,0,0|1,0,1]=4 6244 B11R0.140 C=CCCCC(=O)C#CCCC 1458a_200011218047_100000757094 [0,2,0,0,0,0|1,0,0]=3 6245 B11R0.140 C=CCCCC(=O)C/C=C/CC 1458a_100016274230_100000757094 [0,2,0,0,0,0|1,0,0]=3 6246 B11R0.140 C=CCCCC(=O)C/C=C\CC 1458a_100000766728_100103147603 [0,2,0,0,0,0|1,0,0]=3 6247 B11R0.140 C=CCCCC(=O)C=C/C=C/C 1458a_100000185730_100000757094 [0,2,0,0,0,0|1,0,1]=4 6248 B11R0.140 C=CCCCC(=O)C=CCCC 1458a_100000212230_100000757094 [0,2,0,0,0,0|1,0,0]=3 6249 B11R0.140 C=CCCCC(=O)C=CCOC 1458a_100016285016_100000757094 [0,2,0,0,0,0|1,0,0]=3 6250 B11R0.140 C=CCCCC(=O)C=COCC 1458a_100016266692_100000757094 [0,2,0,0,0,0|0,0,0]=2 6251 B11R0.140 C=CCCCC(=O)CC#CCC 1458a_100000766728_100009813939 [0,2,0,0,0,0|1,0,0]=3 6252 B11R0.140 C=CCCCC(=O)CC#CCO 1458a_100000766728_200000047223 [0,2,0,0,0,0|1,0,1]=4 6253 B11R0.140 C=CCCCC(=O)CCCC#N 1458a_100000075515_100000757094 [0,2,0,0,0,0|1,0,0]=3 6254 B11R0.140 C=CCCCC(=O)CCCC#N 1458a_100000766728_100000211468 [0,2,0,0,0,0|1,0,0]=3 6255 B11R0.140 C=CCCCC(=O)CCCC=C 1458a_100000766728_100000757094 [0,2,0,0,0,0|1,0,0]=3 6256 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [0,2,0,0,0,0|1,0,0]=3 6257 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [0,2,0,0,0,0|1,0,0]=3 6258 B11R0.140 C=CCCCC(=O)CCCCF 1458a_100000766728_100000729493 [0,2,0,0,0,0|1,0,0]=3 6259 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000695505_100000757094 [0,2,0,0,0,0|1,0,0]=3 6260 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000766728_100000210776 [0,2,0,0,0,0|1,0,0]=3 6261 B11R0.140 C=CCCCC(=O)CCCOC 1458a_100000741012_100000757094 [0,2,0,0,0,0|1,0,0]=3 6262 B11R0.140 C=CCCCC(=O)CCCOC 1458a_100000766728_100000740836 [0,2,0,0,0,0|1,0,0]=3 6263 B11R0.140 C=CCCCC(=O)CCCSC 1458a_100000173376_100000757094 [0,2,0,0,0,0|1,0,0]=3 6264 B11R0.140 C=CCCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000757094 [0,2,0,0,0,0|2,0,0]=4 6265 B11R0.140 C=CCCCC(=O)CCOC=C 1458a_100000766728_100000039644 [0,2,0,0,0,0|0,0,2]=4 6266 B11R0.140 C=CCCCC(=O)CCOCC 1458a_100000749530_100000757094 [0,2,0,0,0,0|0,0,0]=2 6267 B11R0.140 C=CCCCC(=O)CCOCC 1458a_100000766728_100011215890 [0,2,0,0,0,0|0,0,0]=2 6268 B11R0.140 C=CCCCC(=O)CCSCC 1458a_100000230768_100000757094 [0,2,0,0,0,0|0,1,0]=3 6269 B11R0.140 C=CCCCC(=O)CCSCC 1458a_100000766728_100000757381 [0,2,0,0,0,0|0,1,0]=3 6270 B11R0.140 C=CCCCC(=O)COCCC 1458a_100000745993_100000757094 [0,2,0,0,0,0|0,0,0]=2 6271 B11R0.140 C=CCCCC(=O)COCCO 1458a_100000708028_100000757094 [0,2,0,0,0,0|0,0,0]=2 6272 B11R0.140 C=CCCCC(=O)CSCC#N 1458a_100000150266_100000757094 [0,2,0,0,0,0|0,1,1]=4 6273 B11R0.140 C=CCCCC(=O)CSCC=C 1458a_100000230395_100000757094 [0,2,0,0,0,0|0,1,1]=4 6274 B11R0.140 C=CCCCC(=O)CSCCC 1458a_100000217233_100000757094 [0,2,0,0,0,0|0,1,0]=3 6275 B11R0.140 C=CCCCC(=O)NCC#CC 11a_100000685387_100000766728 [0,2,0,0,0,0|1,0,0]=3 6276 B11R0.140 C=CCCCC(=O)NCC#CC 1626a_100000685387_100000766728 [0,2,0,0,0,0|1,0,0]=3 6277 B11R0.140 C=CCCCC(=O)NCC#CC 527a_100000685387_100000766728 [0,2,0,0,0,0|1,0,0]=3 6278 B11R0.140 C=CCCCC(=O)NCCC#N 11a_100000720768_100000766728 [0,2,0,0,0,0|1,0,0]=3 6279 B11R0.140 C=CCCCC(=O)NCCC#N 1626a_100000720768_100000766728 [0,2,0,0,0,0|1,0,0]=3 6280 B11R0.140 C=CCCCC(=O)NCCC#N 240690a_100000720768_100000766728 [0,2,0,0,0,0|1,0,0]=3 6281 B11R0.140 C=CCCCC(=O)NCCC#N 527a_100000720768_100000766728 [0,2,0,0,0,0|1,0,0]=3 6282 B11R0.140 C=CCCCC(=O)NCCC=C 11a_100015191253_100000766728 [0,2,0,0,0,0|1,0,0]=3 6283 B11R0.140 C=CCCCC(=O)NCCC=C 1626a_100015191253_100000766728 [0,2,0,0,0,0|1,0,0]=3 6284 B11R0.140 C=CCCCC(=O)NCCC=C 240690a_100015191253_100000766728 [0,2,0,0,0,0|1,0,0]=3 6285 B11R0.140 C=CCCCC(=O)NCCC=C 527a_100015191253_100000766728 [0,2,0,0,0,0|1,0,0]=3 6286 B11R0.140 C=CCCCC(=O)NCCCC 11a_100000102301_100000766728 [0,2,0,0,0,0|1,0,0]=3 6287 B11R0.140 C=CCCCC(=O)NCCCC 1626a_100000102301_100000766728 [0,2,0,0,0,0|1,0,0]=3 6288 B11R0.140 C=CCCCC(=O)NCCCC 240690a_100000102301_100000766728 [0,2,0,0,0,0|1,0,0]=3 6289 B11R0.140 C=CCCCC(=O)NCCCC 527a_100000102301_100000766728 [0,2,0,0,0,0|1,0,0]=3 6290 B11R0.140 C=CCCCC(=O)NCCCF 11a_100015189416_100000766728 [0,2,0,0,0,0|1,0,0]=3 6291 B11R0.140 C=CCCCC(=O)NCCCF 1626a_100015189416_100000766728 [0,2,0,0,0,0|1,0,0]=3 6292 B11R0.140 C=CCCCC(=O)NCCCF 240690a_100015189416_100000766728 [0,2,0,0,0,0|1,0,0]=3 6293 B11R0.140 C=CCCCC(=O)NCCCF 527a_100015189416_100000766728 [0,2,0,0,0,0|1,0,0]=3 6294 B11R0.140 C=CCCCC(=O)NCCCO 240690a_100000182051_100000766728 [0,2,0,0,0,0|1,0,0]=3 6295 B11R0.140 C=CCCCC(=O)NCCCO 527a_100000182051_100000766728 [0,2,0,0,0,0|1,0,0]=3 6296 B11R0.140 C=CCCCC(=O)NCCOC 1626a_100000209980_100000766728 [0,2,0,0,0,0|1,0,0]=3 6297 B11R0.140 C=CCCCC(=O)NCCOC 240690a_100000209980_100000766728 [0,2,0,0,0,0|1,0,0]=3 6298 B11R0.140 C=CCCCC(=O)NCCOC 527a_100000209980_100000766728 [0,2,0,0,0,0|1,0,0]=3 6299 B11R0.140 C=CCCCC(=O)NCCSC 11a_100020590264_100000766728 [0,2,0,0,0,0|1,0,0]=3 6300 B11R0.140 C=CCCCC(=O)NCCSC 1626a_100020590264_100000766728 [0,2,0,0,0,0|1,0,0]=3 6301 B11R0.140 C=CCCCC(=O)NCCSC 240690a_100020590264_100000766728 [0,2,0,0,0,0|1,0,0]=3 6302 B11R0.140 C=CCCCC(=O)NCCSC 527a_100020590264_100000766728 [0,2,0,0,0,0|1,0,0]=3 6303 B11R0.140 C=CCCCC(=O)NNCC=C 22a_100020588587_100000766728 [0,2,0,0,0,0|1,0,1]=4 6304 B11R0.140 C=CCCCC(=O)NNCCC 22a_100000740057_100000766728 [0,2,0,0,0,0|1,0,0]=3 6305 B11R0.140 C=CCCCC(=O)NNCCO 22a_100000210001_100000766728 [0,2,0,0,0,0|1,0,0]=3 6306 B11R0.140 C=CCCNC(=O)C#CCCC 240690a_100015191253_200011218047 [0,2,0,0,0,0|2,0,0]=4 6307 B11R0.140 C=CCCNC(=O)C/C=C/CC 11a_100015191253_100016274230 [0,2,0,0,0,0|2,0,0]=4 6308 B11R0.140 C=CCCNC(=O)C/C=C/CC 1626a_100015191253_100016274230 [0,2,0,0,0,0|2,0,0]=4 6309 B11R0.140 C=CCCNC(=O)C/C=C/CC 240690a_100015191253_100016274230 [0,2,0,0,0,0|2,0,0]=4 6310 B11R0.140 C=CCCNC(=O)C/C=C/CC 527a_100015191253_100016274230 [0,2,0,0,0,0|2,0,0]=4 6311 B11R0.140 C=CCCNC(=O)C=CCCC 11a_100015191253_100000212230 [0,2,0,0,0,0|2,0,0]=4 6312 B11R0.140 C=CCCNC(=O)C=CCCC 1626a_100015191253_100000212230 [0,2,0,0,0,0|2,0,0]=4 6313 B11R0.140 C=CCCNC(=O)C=CCCC 240690a_100015191253_100000212230 [0,2,0,0,0,0|2,0,0]=4 6314 B11R0.140 C=CCCNC(=O)C=CCOC 11a_100015191253_100016285016 [0,2,0,0,0,0|2,0,0]=4 6315 B11R0.140 C=CCCNC(=O)C=CCOC 1626a_100015191253_100016285016 [0,2,0,0,0,0|2,0,0]=4 6316 B11R0.140 C=CCCNC(=O)C=CCOC 240690a_100015191253_100016285016 [0,2,0,0,0,0|2,0,0]=4 6317 B11R0.140 C=CCCNC(=O)C=COCC 11a_100015191253_100016266692 [0,2,0,0,0,0|1,0,0]=3 6318 B11R0.140 C=CCCNC(=O)C=COCC 1626a_100015191253_100016266692 [0,2,0,0,0,0|1,0,0]=3 6319 B11R0.140 C=CCCNC(=O)C=COCC 240690a_100015191253_100016266692 [0,2,0,0,0,0|1,0,0]=3 6320 B11R0.140 C=CCCNC(=O)CCCC#N 11a_100015191253_100000075515 [0,2,0,0,0,0|2,0,0]=4 6321 B11R0.140 C=CCCNC(=O)CCCC#N 1626a_100015191253_100000075515 [0,2,0,0,0,0|2,0,0]=4 6322 B11R0.140 C=CCCNC(=O)CCCC#N 240690a_100015191253_100000075515 [0,2,0,0,0,0|2,0,0]=4 6323 B11R0.140 C=CCCNC(=O)CCCC#N 527a_100015191253_100000075515 [0,2,0,0,0,0|2,0,0]=4 6324 B11R0.140 C=CCCNC(=O)CCCCC 11a_100015191253_100000212188 [0,2,0,0,0,0|2,0,0]=4 6325 B11R0.140 C=CCCNC(=O)CCCCC 1626a_100015191253_100000212188 [0,2,0,0,0,0|2,0,0]=4 6326 B11R0.140 C=CCCNC(=O)CCCCC 240690a_100015191253_100000212188 [0,2,0,0,0,0|2,0,0]=4 6327 B11R0.140 C=CCCNC(=O)CCCCC 527a_100015191253_100000212188 [0,2,0,0,0,0|2,0,0]=4 6328 B11R0.140 C=CCCNC(=O)CCCCO 1626a_100015191253_100000695505 [0,2,0,0,0,0|2,0,0]=4 6329 B11R0.140 C=CCCNC(=O)CCCOC 11a_100015191253_100000741012 [0,2,0,0,0,0|2,0,0]=4 6330 B11R0.140 C=CCCNC(=O)CCCOC 1626a_100015191253_100000741012 [0,2,0,0,0,0|2,0,0]=4 6331 B11R0.140 C=CCCNC(=O)CCCOC 240690a_100015191253_100000741012 [0,2,0,0,0,0|2,0,0]=4 6332 B11R0.140 C=CCCNC(=O)CCCOC 527a_100015191253_100000741012 [0,2,0,0,0,0|2,0,0]=4 6333 B11R0.140 C=CCCNC(=O)CCCSC 11a_100015191253_100000173376 [0,2,0,0,0,0|2,0,0]=4 6334 B11R0.140 C=CCCNC(=O)CCCSC 1626a_100015191253_100000173376 [0,2,0,0,0,0|2,0,0]=4 6335 B11R0.140 C=CCCNC(=O)CCCSC 240690a_100015191253_100000173376 [0,2,0,0,0,0|2,0,0]=4 6336 B11R0.140 C=CCCNC(=O)CCCSC 527a_100015191253_100000173376 [0,2,0,0,0,0|2,0,0]=4 6337 B11R0.140 C=CCCNC(=O)CCOCC 11a_100015191253_100000749530 [0,2,0,0,0,0|1,0,0]=3 6338 B11R0.140 C=CCCNC(=O)CCOCC 1626a_100015191253_100000749530 [0,2,0,0,0,0|1,0,0]=3 6339 B11R0.140 C=CCCNC(=O)CCOCC 240690a_100015191253_100000749530 [0,2,0,0,0,0|1,0,0]=3 6340 B11R0.140 C=CCCNC(=O)CCOCC 527a_100015191253_100000749530 [0,2,0,0,0,0|1,0,0]=3 6341 B11R0.140 C=CCCNC(=O)CCSCC 11a_100015191253_100000230768 [0,2,0,0,0,0|1,1,0]=4 6342 B11R0.140 C=CCCNC(=O)CCSCC 1626a_100015191253_100000230768 [0,2,0,0,0,0|1,1,0]=4 6343 B11R0.140 C=CCCNC(=O)CCSCC 240690a_100015191253_100000230768 [0,2,0,0,0,0|1,1,0]=4 6344 B11R0.140 C=CCCNC(=O)CCSCC 527a_100015191253_100000230768 [0,2,0,0,0,0|1,1,0]=4 6345 B11R0.140 C=CCCNC(=O)COCCC 11a_100015191253_100000745993 [0,2,0,0,0,0|1,0,0]=3 6346 B11R0.140 C=CCCNC(=O)COCCC 1626a_100015191253_100000745993 [0,2,0,0,0,0|1,0,0]=3 6347 B11R0.140 C=CCCNC(=O)COCCC 240690a_100015191253_100000745993 [0,2,0,0,0,0|1,0,0]=3 6348 B11R0.140 C=CCCNC(=O)COCCC 527a_100015191253_100000745993 [0,2,0,0,0,0|1,0,0]=3 6349 B11R0.140 C=CCCNC(=O)COCCO 1626a_100015191253_100000708028 [0,2,0,0,0,0|1,0,0]=3 6350 B11R0.140 C=CCCNC(=O)COCCO 240690a_100015191253_100000708028 [0,2,0,0,0,0|1,0,0]=3 6351 B11R0.140 C=CCCNC(=O)CSCC=C 11a_100015191253_100000230395 [0,2,0,0,0,0|2,0,0]=4 6352 B11R0.140 C=CCCNC(=O)CSCC=C 1626a_100015191253_100000230395 [0,2,0,0,0,0|2,0,0]=4 6353 B11R0.140 C=CCCNC(=O)CSCC=C 240690a_100015191253_100000230395 [0,2,0,0,0,0|2,0,0]=4 6354 B11R0.140 C=CCCNC(=O)CSCC=C 527a_100015191253_100000230395 [0,2,0,0,0,0|2,0,0]=4 6355 B11R0.140 C=CCCNC(=O)CSCCC 11a_100015191253_100000217233 [0,2,0,0,0,0|1,1,0]=4 6356 B11R0.140 C=CCCNC(=O)CSCCC 1626a_100015191253_100000217233 [0,2,0,0,0,0|1,1,0]=4 6357 B11R0.140 C=CCCNC(=O)CSCCC 240690a_100015191253_100000217233 [0,2,0,0,0,0|1,1,0]=4 6358 B11R0.140 C=CCCNC(=O)CSCCC 527a_100015191253_100000217233 [0,2,0,0,0,0|1,1,0]=4 6359 B11R0.140 C=CCCNC(=O)NCC#CC 2708a_100015191253_100000685387 [0,2,0,0,0,0|2,0,0]=4 6360 B11R0.140 C=CCCNC(=O)NCC#CC 273464a_100000685387_100015191253 [0,2,0,0,0,0|2,0,0]=4 6361 B11R0.140 C=CCCNC(=O)NCC#CC 273464a_100015191253_100000685387 [0,2,0,0,0,0|2,0,0]=4 6362 B11R0.140 C=CCCNC(=O)NCC#CC 512a_100000685387_100015191253 [0,2,0,0,0,0|2,0,0]=4 6363 B11R0.140 C=CCCNC(=O)NCC#CC 512a_100015191253_100000685387 [0,2,0,0,0,0|2,0,0]=4 6364 B11R0.140 C=CCCNC(=O)NCCC#N 2708a_100000720768_100015191253 [0,2,0,0,0,0|2,0,0]=4 6365 B11R0.140 C=CCCNC(=O)NCCC#N 2708a_100015191253_100000720768 [0,2,0,0,0,0|2,0,0]=4 6366 B11R0.140 C=CCCNC(=O)NCCC#N 273464a_100000720768_100015191253 [0,2,0,0,0,0|2,0,0]=4 6367 B11R0.140 C=CCCNC(=O)NCCC#N 273464a_100015191253_100000720768 [0,2,0,0,0,0|2,0,0]=4 6368 B11R0.140 C=CCCNC(=O)NCCC#N 512a_100000720768_100015191253 [0,2,0,0,0,0|2,0,0]=4 6369 B11R0.140 C=CCCNC(=O)NCCC#N 512a_100015191253_100000720768 [0,2,0,0,0,0|2,0,0]=4 6370 B11R0.140 C=CCCNC(=O)NCCC=C 2708a_100015191253_100015191253 [0,2,0,0,0,0|2,0,0]=4 6371 B11R0.140 C=CCCNC(=O)NCCC=C 273464a_100015191253_100015191253 [0,2,0,0,0,0|2,0,0]=4 6372 B11R0.140 C=CCCNC(=O)NCCC=C 512a_100015191253_100015191253 [0,2,0,0,0,0|2,0,0]=4 6373 B11R0.140 C=CCCNC(=O)NCCCC 2708a_100000102301_100015191253 [0,2,0,0,0,0|2,0,0]=4 6374 B11R0.140 C=CCCNC(=O)NCCCC 2708a_100015191253_100000102301 [0,2,0,0,0,0|2,0,0]=4 6375 B11R0.140 C=CCCNC(=O)NCCCC 273464a_100000102301_100015191253 [0,2,0,0,0,0|2,0,0]=4 6376 B11R0.140 C=CCCNC(=O)NCCCC 273464a_100015191253_100000102301 [0,2,0,0,0,0|2,0,0]=4 6377 B11R0.140 C=CCCNC(=O)NCCCC 512a_100000102301_100015191253 [0,2,0,0,0,0|2,0,0]=4 6378 B11R0.140 C=CCCNC(=O)NCCCC 512a_100015191253_100000102301 [0,2,0,0,0,0|2,0,0]=4 6379 B11R0.140 C=CCCNC(=O)NCCCF 2708a_100015189416_100015191253 [0,2,0,0,0,0|2,0,0]=4 6380 B11R0.140 C=CCCNC(=O)NCCCF 2708a_100015191253_100015189416 [0,2,0,0,0,0|2,0,0]=4 6381 B11R0.140 C=CCCNC(=O)NCCCF 273464a_100015189416_100015191253 [0,2,0,0,0,0|2,0,0]=4 6382 B11R0.140 C=CCCNC(=O)NCCCF 273464a_100015191253_100015189416 [0,2,0,0,0,0|2,0,0]=4 6383 B11R0.140 C=CCCNC(=O)NCCCF 512a_100015189416_100015191253 [0,2,0,0,0,0|2,0,0]=4 6384 B11R0.140 C=CCCNC(=O)NCCCF 512a_100015191253_100015189416 [0,2,0,0,0,0|2,0,0]=4 6385 B11R0.140 C=CCCNC(=O)NCCCO 2708a_100015191253_100000182051 [0,2,0,0,0,0|2,0,0]=4 6386 B11R0.140 C=CCCNC(=O)NCCCO 273464a_100000182051_100015191253 [0,2,0,0,0,0|2,0,0]=4 6387 B11R0.140 C=CCCNC(=O)NCCCO 273464a_100015191253_100000182051 [0,2,0,0,0,0|2,0,0]=4 6388 B11R0.140 C=CCCNC(=O)NCCCO 512a_100015191253_100000182051 [0,2,0,0,0,0|2,0,0]=4 6389 B11R0.140 C=CCCNC(=O)NCCOC 2708a_100015191253_100000209980 [0,2,0,0,0,0|2,0,0]=4 6390 B11R0.140 C=CCCNC(=O)NCCOC 273464a_100000209980_100015191253 [0,2,0,0,0,0|2,0,0]=4 6391 B11R0.140 C=CCCNC(=O)NCCOC 273464a_100015191253_100000209980 [0,2,0,0,0,0|2,0,0]=4 6392 B11R0.140 C=CCCNC(=O)NCCSC 2708a_100015191253_100020590264 [0,2,0,0,0,0|2,0,0]=4 6393 B11R0.140 C=CCCNC(=O)NCCSC 2708a_100020590264_100015191253 [0,2,0,0,0,0|2,0,0]=4 6394 B11R0.140 C=CCCNC(=O)NCCSC 273464a_100015191253_100020590264 [0,2,0,0,0,0|2,0,0]=4 6395 B11R0.140 C=CCCNC(=O)NCCSC 273464a_100020590264_100015191253 [0,2,0,0,0,0|2,0,0]=4 6396 B11R0.140 C=CCCNC(=O)NCCSC 512a_100015191253_100020590264 [0,2,0,0,0,0|2,0,0]=4 6397 B11R0.140 C=CCCNC(=O)NCCSC 512a_100020590264_100015191253 [0,2,0,0,0,0|2,0,0]=4 6398 B11R0.140 C=CCCNC(=O)NNCCC 273464a_100015191253_100000740057 [0,2,0,0,0,0|2,0,0]=4 6399 B11R0.140 C=CCCNC(=O)NNCCC 512a_100000740057_100015191253 [0,2,0,0,0,0|2,0,0]=4 6400 B11R0.140 C=CCCNC(=O)NNCCC 512a_100015191253_100000740057 [0,2,0,0,0,0|2,0,0]=4 6401 B11R0.140 C=CCCNC(=O)NNCCO 273464a_100015191253_100000210001 [0,2,0,0,0,0|2,0,0]=4 6402 B11R0.140 C=CCCNC(=O)NNCCO 512a_100015191253_100000210001 [0,2,0,0,0,0|2,0,0]=4 6403 B11R0.140 C=CCNCC(=O)CCCCC 2230a_100020586998_200012276598 [0,2,0,0,0,0|2,0,0]=4 6404 B11R0.140 C=CCNCC(=O)NCCCC 2230a_100020586998_100000182744 [0,2,0,0,0,0|2,0,0]=4 6405 B11R0.140 C=CCNCC(=O)NCCOC 2230a_100000754632_100000210623 [0,2,0,0,0,0|2,0,0]=4 6406 B11R0.140 C=CCNCC(=O)NCCOC 2230a_100020586998_100000183275 [0,2,0,0,0,0|2,0,0]=4 6407 B11R0.140 C=CCNCC(=O)OCCCC 2230a_100020586998_100000211628 [0,2,0,0,0,0|1,0,0]=3 6408 B11R0.140 C=CCNCC(=O)OCCOC 2230a_100020586998_200000040189 [0,2,0,0,0,0|1,0,0]=3 6409 B11R0.140 C=CCNNC(=O)C=COCC 22a_100020588587_100016266692 [0,2,0,0,0,0|2,0,0]=4 6410 B11R0.140 C=CCNNC(=O)CCOCC 22a_100020588587_100000749530 [0,2,0,0,0,0|2,0,0]=4 6411 B11R0.140 C=CCNNC(=O)COCCC 22a_100020588587_100000745993 [0,2,0,0,0,0|2,0,0]=4 6412 B11R0.140 C=CCOCC(=O)CCCCC 34a_200000210373_200012276598 [0,2,0,0,0,0|2,0,0]=4 6413 B11R0.140 C=CCOCC(=O)NCCCC 34a_200000210373_100000182744 [0,2,0,0,0,0|2,0,0]=4 6414 B11R0.140 C=CCOCC(=O)NCCOC 34a_200000210373_100000183275 [0,2,0,0,0,0|2,0,0]=4 6415 B11R0.140 C=CCOCC(=O)OCCCC 34a_200000210373_100000211628 [0,2,0,0,0,0|1,0,0]=3 6416 B11R0.140 C=CCOCC(=O)OCCOC 34a_200000210373_200000040189 [0,2,0,0,0,0|1,0,0]=3 6417 B11R0.140 C=CCSCC(=O)C/C=C\CC 1458a_100000230395_100103147603 [0,2,0,0,0,0|2,0,0]=4 6418 B11R0.140 C=CCSCC(=O)CC#CCC 1458a_100000230395_100009813939 [0,2,0,0,0,0|2,0,0]=4 6419 B11R0.140 C=CCSCC(=O)CCCC#N 1458a_100000230395_100000211468 [0,2,0,0,0,0|2,0,0]=4 6420 B11R0.140 C=CCSCC(=O)CCCCC 1458a_100000230395_100000210326 [0,2,0,0,0,0|2,0,0]=4 6421 B11R0.140 C=CCSCC(=O)CCCCC 62a_100000210623_200012276598 [0,2,0,0,0,0|2,0,0]=4 6422 B11R0.140 C=CCSCC(=O)CCCCC 62a_200012276598_100000210623 [0,2,0,0,0,0|2,0,0]=4 6423 B11R0.140 C=CCSCC(=O)CCCCF 1458a_100000230395_100000729493 [0,2,0,0,0,0|2,0,0]=4 6424 B11R0.140 C=CCSCC(=O)CCCCO 1458a_100000230395_100000210776 [0,2,0,0,0,0|2,0,0]=4 6425 B11R0.140 C=CCSCC(=O)CCCOC 1458a_100000230395_100000740836 [0,2,0,0,0,0|2,0,0]=4 6426 B11R0.140 C=CCSCC(=O)CCOCC 1458a_100000230395_100011215890 [0,2,0,0,0,0|1,0,0]=3 6427 B11R0.140 C=CCSCC(=O)CCSCC 1458a_100000230395_100000757381 [0,2,0,0,0,0|1,1,0]=4 6428 B11R0.140 C=CCSCC(=O)NCC#CC 11a_100000685387_100000230395 [0,2,0,0,0,0|2,0,0]=4 6429 B11R0.140 C=CCSCC(=O)NCC#CC 1626a_100000685387_100000230395 [0,2,0,0,0,0|2,0,0]=4 6430 B11R0.140 C=CCSCC(=O)NCC#CC 527a_100000685387_100000230395 [0,2,0,0,0,0|2,0,0]=4 6431 B11R0.140 C=CCSCC(=O)NCCC#N 11a_100000720768_100000230395 [0,2,0,0,0,0|2,0,0]=4 6432 B11R0.140 C=CCSCC(=O)NCCC#N 1626a_100000720768_100000230395 [0,2,0,0,0,0|2,0,0]=4 6433 B11R0.140 C=CCSCC(=O)NCCC#N 240690a_100000720768_100000230395 [0,2,0,0,0,0|2,0,0]=4 6434 B11R0.140 C=CCSCC(=O)NCCC#N 527a_100000720768_100000230395 [0,2,0,0,0,0|2,0,0]=4 6435 B11R0.140 C=CCSCC(=O)NCCCC 11a_100000102301_100000230395 [0,2,0,0,0,0|2,0,0]=4 6436 B11R0.140 C=CCSCC(=O)NCCCC 1626a_100000102301_100000230395 [0,2,0,0,0,0|2,0,0]=4 6437 B11R0.140 C=CCSCC(=O)NCCCC 240690a_100000102301_100000230395 [0,2,0,0,0,0|2,0,0]=4 6438 B11R0.140 C=CCSCC(=O)NCCCC 527a_100000102301_100000230395 [0,2,0,0,0,0|2,0,0]=4 6439 B11R0.140 C=CCSCC(=O)NCCCC 62a_100000182744_100000210623 [0,2,0,0,0,0|2,0,0]=4 6440 B11R0.140 C=CCSCC(=O)NCCCC 62a_100000210623_100000182744 [0,2,0,0,0,0|2,0,0]=4 6441 B11R0.140 C=CCSCC(=O)NCCCF 11a_100015189416_100000230395 [0,2,0,0,0,0|2,0,0]=4 6442 B11R0.140 C=CCSCC(=O)NCCCF 1626a_100015189416_100000230395 [0,2,0,0,0,0|2,0,0]=4 6443 B11R0.140 C=CCSCC(=O)NCCCF 240690a_100015189416_100000230395 [0,2,0,0,0,0|2,0,0]=4 6444 B11R0.140 C=CCSCC(=O)NCCCF 527a_100015189416_100000230395 [0,2,0,0,0,0|2,0,0]=4 6445 B11R0.140 C=CCSCC(=O)NCCCO 240690a_100000182051_100000230395 [0,2,0,0,0,0|2,0,0]=4 6446 B11R0.140 C=CCSCC(=O)NCCCO 527a_100000182051_100000230395 [0,2,0,0,0,0|2,0,0]=4 6447 B11R0.140 C=CCSCC(=O)NCCOC 1626a_100000209980_100000230395 [0,2,0,0,0,0|2,0,0]=4 6448 B11R0.140 C=CCSCC(=O)NCCOC 240690a_100000209980_100000230395 [0,2,0,0,0,0|2,0,0]=4 6449 B11R0.140 C=CCSCC(=O)NCCOC 527a_100000209980_100000230395 [0,2,0,0,0,0|2,0,0]=4 6450 B11R0.140 C=CCSCC(=O)NCCOC 62a_100000183275_100000210623 [0,2,0,0,0,0|2,0,0]=4 6451 B11R0.140 C=CCSCC(=O)NCCOC 62a_100000210623_100000183275 [0,2,0,0,0,0|2,0,0]=4 6452 B11R0.140 C=CCSCC(=O)NCCSC 11a_100020590264_100000230395 [0,2,0,0,0,0|2,0,0]=4 6453 B11R0.140 C=CCSCC(=O)NCCSC 1626a_100020590264_100000230395 [0,2,0,0,0,0|2,0,0]=4 6454 B11R0.140 C=CCSCC(=O)NCCSC 240690a_100020590264_100000230395 [0,2,0,0,0,0|2,0,0]=4 6455 B11R0.140 C=CCSCC(=O)NCCSC 527a_100020590264_100000230395 [0,2,0,0,0,0|2,0,0]=4 6456 B11R0.140 C=CCSCC(=O)NNCCC 22a_100000740057_100000230395 [0,2,0,0,0,0|2,0,0]=4 6457 B11R0.140 C=CCSCC(=O)NNCCO 22a_100000210001_100000230395 [0,2,0,0,0,0|2,0,0]=4 6458 B11R0.140 C=CCSCC(=O)OCCCC 62a_100000210623_100000211628 [0,2,0,0,0,0|1,0,0]=3 6459 B11R0.140 C=CCSCC(=O)OCCCC 62a_100000211628_100000210623 [0,2,0,0,0,0|1,0,0]=3 6460 B11R0.140 C=CCSCC(=O)OCCOC 62a_100000210623_200000040189 [0,2,0,0,0,0|1,0,0]=3 6461 B11R0.140 C=CCSCC(=O)OCCOC 62a_200000040189_100000210623 [0,2,0,0,0,0|1,0,0]=3 6462 B11R0.140 C=COCCC(=O)C#CCCC 1458a_200011218047_100000039644 [0,2,0,0,0,0|2,0,0]=4 6463 B11R0.140 C=COCCC(=O)C/C=C/CC 1458a_100016274230_100000039644 [0,2,0,0,0,0|2,0,0]=4 6464 B11R0.140 C=COCCC(=O)C=CCCC 1458a_100000212230_100000039644 [0,2,0,0,0,0|2,0,0]=4 6465 B11R0.140 C=COCCC(=O)C=CCOC 1458a_100016285016_100000039644 [0,2,0,0,0,0|2,0,0]=4 6466 B11R0.140 C=COCCC(=O)C=COCC 1458a_100016266692_100000039644 [0,2,0,0,0,0|1,0,0]=3 6467 B11R0.140 C=COCCC(=O)CCCC#N 1458a_100000075515_100000039644 [0,2,0,0,0,0|2,0,0]=4 6468 B11R0.140 C=COCCC(=O)CCCCC 1458a_100000212188_100000039644 [0,2,0,0,0,0|2,0,0]=4 6469 B11R0.140 C=COCCC(=O)CCCCO 1458a_100000695505_100000039644 [0,2,0,0,0,0|2,0,0]=4 6470 B11R0.140 C=COCCC(=O)CCCOC 1458a_100000741012_100000039644 [0,2,0,0,0,0|2,0,0]=4 6471 B11R0.140 C=COCCC(=O)CCCSC 1458a_100000173376_100000039644 [0,2,0,0,0,0|2,0,0]=4 6472 B11R0.140 C=COCCC(=O)CCOCC 1458a_100000749530_100000039644 [0,2,0,0,0,0|1,0,0]=3 6473 B11R0.140 C=COCCC(=O)CCSCC 1458a_100000230768_100000039644 [0,2,0,0,0,0|1,1,0]=4 6474 B11R0.140 C=COCCC(=O)COCCC 1458a_100000745993_100000039644 [0,2,0,0,0,0|1,0,0]=3 6475 B11R0.140 C=COCCC(=O)COCCO 1458a_100000708028_100000039644 [0,2,0,0,0,0|1,0,0]=3 6476 B11R0.140 C=COCCC(=O)CSCCC 1458a_100000217233_100000039644 [0,2,0,0,0,0|1,1,0]=4 6477 B11R0.140 CCCCCC(=O)C=COCC 1458a_100016266692_100000210326 [0,2,0,0,0,0|0,0,2]=4 6478 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000212188_100011215890 [0,2,0,0,0,0|0,0,2]=4 6479 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000749530_100000210326 [0,2,0,0,0,0|0,0,2]=4 6480 B11R0.140 CCCCCC(=O)COCCBr 34a_100000211926_200012276598 [0,2,0,0,0,0|0,0,2]=4 6481 B11R0.140 CCCCCC(=O)COCCC 1458a_100000745993_100000210326 [0,2,0,0,0,0|0,0,2]=4 6482 B11R0.140 CCCCCC(=O)COCCC 34a_100000210258_200012276598 [0,2,0,0,0,0|0,0,2]=4 6483 B11R0.140 CCCCCC(=O)COCCN 34a_100000210304_200012276598 [0,2,0,0,0,0|0,0,2]=4 6484 B11R0.140 CCCCCC(=O)COCCO 1458a_100000708028_100000210326 [0,2,0,0,0,0|0,0,2]=4 6485 B11R0.140 CCCCOC(=O)CSCC=O 62a_100000211628_200015260668 [0,2,0,0,0,0|2,0,0]=4 6486 B11R0.140 CCCCOC(=O)CSCC=O 62a_200015260668_100000211628 [0,2,0,0,0,0|2,0,0]=4 6487 B11R0.140 CCCOCC(=O)CCCC#N 1458a_100000745993_100000211468 [0,2,0,0,0,0|1,0,1]=4 6488 B11R0.140 CCCOCC(=O)CCCCF 1458a_100000745993_100000729493 [0,2,0,0,0,0|1,0,1]=4 6489 B11R0.140 CCCOCC(=O)CCCCO 1458a_100000745993_100000210776 [0,2,0,0,0,0|1,0,1]=4 6490 B11R0.140 CCCOCC(=O)CCCOC 1458a_100000745993_100000740836 [0,2,0,0,0,0|1,0,1]=4 6491 B11R0.140 CCOC=CC(=O)CCCC#N 1458a_100016266692_100000211468 [0,2,0,0,0,0|1,0,1]=4 6492 B11R0.140 CCOC=CC(=O)CCCCF 1458a_100016266692_100000729493 [0,2,0,0,0,0|1,0,1]=4 6493 B11R0.140 CCOC=CC(=O)CCCCO 1458a_100016266692_100000210776 [0,2,0,0,0,0|1,0,1]=4 6494 B11R0.140 CCOC=CC(=O)CCCOC 1458a_100016266692_100000740836 [0,2,0,0,0,0|1,0,1]=4 6495 B11R0.140 CCOCCC(=O)CCCC#N 1458a_100000075515_100011215890 [0,2,0,0,0,0|1,0,1]=4 6496 B11R0.140 CCOCCC(=O)CCCC#N 1458a_100000749530_100000211468 [0,2,0,0,0,0|1,0,1]=4 6497 B11R0.140 CCOCCC(=O)CCCCF 1458a_100000749530_100000729493 [0,2,0,0,0,0|1,0,1]=4 6498 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000695505_100011215890 [0,2,0,0,0,0|1,0,1]=4 6499 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000749530_100000210776 [0,2,0,0,0,0|1,0,1]=4 6500 B11R0.140 CCOCCC(=O)CCCOC 1458a_100000741012_100011215890 [0,2,0,0,0,0|1,0,1]=4 6501 B11R0.140 CCOCCC(=O)CCCOC 1458a_100000749530_100000740836 [0,2,0,0,0,0|1,0,1]=4 6502 B11R0.140 CCOCCC(=O)CCCSC 1458a_100000173376_100011215890 [0,2,0,0,0,0|1,0,1]=4 6503 B11R0.140 COCCCC(=O)COCCO 1458a_100000708028_100000740836 [0,2,0,0,0,0|1,0,1]=4 6504 B11R0.140 COCCOC(=O)CSCC=O 62a_200000040189_200015260668 [0,2,0,0,0,0|2,0,0]=4 6505 B11R0.140 COCCOC(=O)CSCC=O 62a_200015260668_200000040189 [0,2,0,0,0,0|2,0,0]=4 6506 B11R0.140 N#CCCCC(=O)COCCO 1458a_100000708028_100000211468 [0,2,0,0,0,0|1,0,1]=4 6507 B11R0.140 O=C(CCCCF)COCCO 1458a_100000708028_100000729493 [0,2,0,0,0,0|1,0,1]=4 6508 B11R0.140 O=C(CCCCO)COCCO 1458a_100000708028_100000210776 [0,2,0,0,0,0|1,0,1]=4 6509 B11R0.9 C=CC(C=C)OCC(=O)NCC 34a_100000033096_100000183381 [0,2,0,0,0,0|2,0,0]=4 6510 B11R0.9 C=CC(C=C)OCC(=O)OCC 34a_100000033096_100000188475 [0,2,0,0,0,0|1,0,0]=3 6511 B11R0.9 C=CC(CC)OCC(=O)CCC 7a_100000766422_100000747444 [0,2,0,0,0,0|2,0,0]=4 6512 B11R0.9 C=CC(CC)OCC(=O)NCC 34a_100000766422_100000183381 [0,2,0,0,0,0|2,0,0]=4 6513 B11R0.9 C=CC(CC)OCC(=O)NCC 7a_100000766422_100000183381 [0,2,0,0,0,0|2,0,0]=4 6514 B11R0.9 C=CC(CC)OCC(=O)OCC 34a_100000766422_100000188475 [0,2,0,0,0,0|1,0,0]=3 6515 B11R0.9 C=CC(CC)OCC(=O)OCC 7a_100000766422_100000188475 [0,2,0,0,0,0|1,0,0]=3 6516 B11R0.9 C=C[C@@H](CO)NCC(=O)CCC 2230a_100016989147_100000747444 [0,2,0,0,0,0|2,0,0]=4 6517 B11R0.9 C=C[C@@H](CO)NCC(=O)NCC 2230a_100016989147_100000183381 [0,2,0,0,0,0|2,0,0]=4 6518 B11R0.9 C=C[C@@H](CO)NCC(=O)NCC 34a_100016989147_100000183381 [0,2,0,0,0,0|2,0,0]=4 6519 B11R0.9 C=C[C@@H](CO)NCC(=O)OCC 2230a_100016989147_100000188475 [0,2,0,0,0,0|1,0,0]=3 6520 B11R0.9 C=C[C@@H](CO)NCC(=O)OCC 34a_100016989147_100000188475 [0,2,0,0,0,0|1,0,0]=3 6521 B11R0.9 CCOC(=O)CSC(C=O)C=O 62a_100000188475_100000736813 [0,2,0,0,0,0|2,0,0]=4 6522 B11R0.9 CCOC(=O)CSC(C=O)C=O 62a_100000736813_100000188475 [0,2,0,0,0,0|2,0,0]=4 6523 B11R0.170 C=CC(C)(C)OCC(=O)CCC 7a_100011215311_100000747444 [0,2,0,0,0,0|2,0,0]=4 6524 B11R0.170 C=CC(C)(C)OCC(=O)NCC 34a_100011215311_100000183381 [0,2,0,0,0,0|2,0,0]=4 6525 B11R0.170 C=CC(C)(C)OCC(=O)NCC 7a_100011215311_100000183381 [0,2,0,0,0,0|2,0,0]=4 6526 B11R0.170 C=CC(C)(C)OCC(=O)OCC 34a_100011215311_100000188475 [0,2,0,0,0,0|1,0,0]=3 6527 B11R0.170 C=CC(C)(C)OCC(=O)OCC 7a_100011215311_100000188475 [0,2,0,0,0,0|1,0,0]=3 6528 B11R0.170 C=CC(F)(F)SCC(=O)CCC 62a_100000747444_100009814244 [0,2,0,0,0,0|2,0,0]=4 6529 B11R0.170 C=CC(F)(F)SCC(=O)CCC 62a_100009814244_100000747444 [0,2,0,0,0,0|2,0,0]=4 6530 B11R0.170 C=CC(F)(F)SCC(=O)NCC 62a_100000183381_100009814244 [0,2,0,0,0,0|2,0,0]=4 6531 B11R0.170 C=CC(F)(F)SCC(=O)NCC 62a_100009814244_100000183381 [0,2,0,0,0,0|2,0,0]=4 6532 B11R0.170 C=CC(F)(F)SCC(=O)OCC 62a_100000188475_100009814244 [0,2,0,0,0,0|1,0,0]=3 6533 B11R0.170 C=CC(F)(F)SCC(=O)OCC 62a_100009814244_100000188475 [0,2,0,0,0,0|1,0,0]=3 6534 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [1,0,0,1,0,0|1,0,1]=4 6535 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [1,0,0,1,0,0|1,0,1]=4 6536 B9R1.8 CCOC1CC=CCC1 34a_100000073881_100000210202 [1,0,0,1,0,0|1,0,1]=4 6537 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [1,0,0,1,0,0|1,0,1]=4 6538 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [1,0,0,1,0,0|1,0,1]=4 6539 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [1,0,0,1,0,0|1,0,1]=4 6540 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [1,0,0,1,0,0|1,0,1]=4 6541 B9R1.33 O=C1OCCC1SCF 62a_100000211211_100015361967 [1,0,0,1,0,0|2,0,0]=4 6542 B9R1.33 O=C1OCCC1SCF 62a_100015361967_100000211211 [1,0,0,1,0,0|2,0,0]=4 6543 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [1,0,0,1,0,0|1,0,1]=4 6544 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [1,0,0,1,0,0|1,0,1]=4 6545 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [1,0,0,1,0,0|2,0,0]=4 6546 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [1,0,0,1,0,0|1,0,1]=4 6547 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [1,0,0,1,0,0|1,0,1]=4 6548 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [1,0,0,1,0,0|1,0,1]=4 6549 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 6550 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 6551 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 6552 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [1,0,0,1,0,0|1,0,1]=4 6553 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [1,0,0,1,0,0|1,0,1]=4 6554 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [1,0,0,1,0,0|2,0,0]=4 6555 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [1,0,0,1,0,0|2,0,0]=4 6556 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [1,0,0,1,0,0|2,0,0]=4 6557 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [1,0,0,1,0,0|1,0,1]=4 6558 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [1,0,0,1,0,0|1,0,1]=4 6559 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [1,0,0,1,0,0|1,0,1]=4 6560 B9R1.100 C=CCCC(=O)C1CC1 1458a_100000210395_100000754431 [1,0,0,1,0,0|1,0,0]=3 6561 B9R1.100 C=CCCC(=O)C1CO1 1458a_100000701028_100000754431 [1,0,0,1,0,0|2,0,0]=4 6562 B9R1.100 C=CCNC(=O)C1CC1 1626a_100020586998_100000210395 [1,0,0,1,0,0|2,0,0]=4 6563 B9R1.100 C=CCNC(=O)C1CC1 240690a_100020586998_100000210395 [1,0,0,1,0,0|2,0,0]=4 6564 B9R1.100 C=CCNC(=O)C1CC1 527a_100020586998_100000210395 [1,0,0,1,0,0|2,0,0]=4 6565 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [1,0,0,1,0,0|1,0,1]=4 6566 B9R1.100 O=C(CCCF)C1CC1 1458a_100000210395_100011934791 [1,0,0,1,0,0|2,0,0]=4 6567 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [1,0,0,1,0,0|2,0,0]=4 6568 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [1,0,0,1,0,0|1,0,1]=4 6569 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [1,0,0,1,0,0|2,0,0]=4 6570 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [1,0,0,1,0,0|1,0,1]=4 6571 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [1,0,0,1,0,0|1,0,1]=4 6572 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 6573 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 6574 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 6575 B9R1.17 C=CCCCN1CCC1 269982a_100000754969_100000757094 [1,0,0,1,0,0|2,0,0]=4 6576 B9R1.17 C=CCNCC1CCO1 2230a_100020586998_100000103362 [1,0,0,1,0,0|1,0,1]=4 6577 B9R1.17 C=CCNC[C@@H]1CCO1 2230a_100020831831_100000210623 [1,0,0,1,0,0|1,0,1]=4 6578 B9R1.17 C=CCNC[C@@H]1CCO1 34a_100020831831_100015514636 [1,0,0,1,0,0|1,0,1]=4 6579 B9R1.17 C=CCOCC1CCO1 34a_100000039022_100015514636 [1,0,0,1,0,0|1,0,1]=4 6580 B9R1.17 C=CCOCC1CCO1 34a_200000210373_100000103362 [1,0,0,1,0,0|1,0,1]=4 6581 B9R1.17 C=CCSCC1CCO1 62a_100000103362_100000210623 [1,0,0,1,0,0|1,0,1]=4 6582 B9R1.17 C=CCSCC1CCO1 62a_100000210623_100000103362 [1,0,0,1,0,0|1,0,1]=4 6583 B9R1.83 C=CCCCNC1CC1 34a_100000212008_100000757094 [1,0,0,1,0,0|2,0,0]=4 6584 B9R1.83 C=CCCCNC1CC1 34a_100000700776_100000211595 [1,0,0,1,0,0|2,0,0]=4 6585 B9R1.83 C=CCCCOC1CC1 34a_100000758997_100000211595 [1,0,0,1,0,0|2,0,0]=4 6586 B9R1.83 C=CCCCSC1CC1 62a_100011713584_100000211595 [1,0,0,1,0,0|2,0,0]=4 6587 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [1,0,0,1,0,0|1,0,1]=4 6588 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [1,0,0,1,0,0|1,0,1]=4 6589 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [1,0,0,1,0,0|1,0,1]=4 6590 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [1,0,0,1,0,0|1,0,1]=4 6591 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [1,0,0,1,0,0|0,0,2]=4 6592 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [1,0,0,1,0,0|1,0,1]=4 6593 B9R1.11 CCC(=O)C1CC=CC1 1458a_100000759439_100000210202 [1,0,0,1,0,0|0,0,2]=4 6594 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [1,0,0,1,0,0|0,0,2]=4 6595 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [1,0,0,1,0,0|0,0,2]=4 6596 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [1,0,0,1,0,0|1,0,1]=4 6597 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [1,0,0,1,0,0|1,0,1]=4 6598 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [1,0,0,1,0,0|1,0,1]=4 6599 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [1,0,0,1,0,0|1,0,1]=4 6600 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [1,0,0,1,0,0|0,0,2]=4 6601 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [1,0,0,1,0,0|0,0,2]=4 6602 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [1,0,0,1,0,0|1,0,1]=4 6603 B9R1.79 CCC(=O)CC1COC1 1458a_100000210414_100010264016 [1,0,0,1,0,0|1,0,1]=4 6604 B9R1.79 CCC(=O)CC1COC1 1458a_100000687760_100000210202 [1,0,0,1,0,0|1,0,1]=4 6605 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [1,0,0,1,0,0|0,0,2]=4 6606 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [1,0,0,1,0,0|0,0,2]=4 6607 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [1,0,0,1,0,0|1,0,1]=4 6608 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [1,0,0,1,0,0|1,0,0]=3 6609 B9R1.81 COC(=O)[C@@H]1CCN1C 2230a_102516456887_200000210301 [1,0,0,1,0,0|1,0,1]=4 6610 B9R1.81 COC(=O)[C@@H]1CCN1C 269982a_102516456887_200000210301 [1,0,0,1,0,0|1,0,1]=4 6611 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 2230a_102516456887_200025704644 [1,0,0,1,0,0|1,0,1]=4 6612 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 269982a_102516456887_200025704644 [1,0,0,1,0,0|1,0,1]=4 6613 B9R1.81 O=C(CO)C1CCC1=O 1458a_100000210174_100009892977 [1,0,0,1,0,0|2,0,0]=4 6614 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [1,0,0,1,0,0|0,0,2]=4 6615 B9R1.88 CCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210202 [1,0,0,1,0,0|1,0,1]=4 6616 B11R1.4 C=CCCCOC1CCCO1 34a_100000085407_100000757094 [0,1,0,1,0,0|1,0,1]=4 6617 B11R1.4 C=CCCNCC1CCCO1 2230a_100015191253_100000203698 [0,1,0,1,0,0|1,0,1]=4 6618 B11R1.4 C=CCCNCC1OCCO1 2230a_100000036311_100000754431 [0,1,0,1,0,0|0,0,2]=4 6619 B11R1.4 C=CCCNCC1OCCO1 2230a_100015191253_100000755774 [0,1,0,1,0,0|0,0,2]=4 6620 B11R1.4 C=CCCNCC1OCCO1 34a_100000036311_100000754431 [0,1,0,1,0,0|0,0,2]=4 6621 B11R1.4 C=CCCNC[C@@H]1CCCO1 2230a_100020590478_100000754431 [0,1,0,1,0,0|1,0,1]=4 6622 B11R1.4 C=CCCNC[C@@H]1CCCO1 34a_100020590478_100000754431 [0,1,0,1,0,0|1,0,1]=4 6623 B11R1.4 C=CCCOCC1=NCCN1 34a_100011205117_100000737910 [0,1,0,1,0,0|2,0,0]=4 6624 B11R1.4 C=CCCOCC1CCCO1 34a_100000210270_100000754431 [0,1,0,1,0,0|1,0,1]=4 6625 B11R1.4 C=CCCOCC1CCCO1 7a_100000210270_100000754431 [0,1,0,1,0,0|1,0,1]=4 6626 B11R1.4 C=CCCOCC1OCCO1 34a_100000087154_100000754431 [0,1,0,1,0,0|0,0,2]=4 6627 B11R1.4 C=CCCOCC1OCCO1 34a_100011205117_100000755774 [0,1,0,1,0,0|0,0,2]=4 6628 B11R1.4 C=CCCSCC1=NCCN1 62a_100000737910_100000754431 [0,1,0,1,0,0|2,0,0]=4 6629 B11R1.4 C=CCCSCC1=NCCN1 62a_100000754431_100000737910 [0,1,0,1,0,0|2,0,0]=4 6630 B11R1.4 C=CCCSCC1CCCO1 62a_100000203698_100000754431 [0,1,0,1,0,0|1,0,1]=4 6631 B11R1.4 C=CCCSCC1CCCO1 62a_100000754431_100000203698 [0,1,0,1,0,0|1,0,1]=4 6632 B11R1.4 C=CCCSCC1OCCO1 62a_100000754431_100000755774 [0,1,0,1,0,0|0,0,2]=4 6633 B11R1.4 C=CCCSCC1OCCO1 62a_100000755774_100000754431 [0,1,0,1,0,0|0,0,2]=4 6634 B11R1.4 C=CCNCCC1OCCO1 2230a_100000034215_100000210623 [0,1,0,1,0,0|0,0,2]=4 6635 B11R1.4 C=CCNCCC1OCCO1 2230a_100020586998_100000740749 [0,1,0,1,0,0|0,0,2]=4 6636 B11R1.4 C=CCNCCC1OCCO1 34a_100000034215_100015514636 [0,1,0,1,0,0|0,0,2]=4 6637 B11R1.4 C=CCOCCC1OCCO1 34a_200000210373_100000740749 [0,1,0,1,0,0|0,0,2]=4 6638 B11R1.4 C=CCSCCC1OCCO1 62a_100000210623_100000740749 [0,1,0,1,0,0|0,0,2]=4 6639 B11R1.16 CC#CC(=O)C1C=CCCC1 1458a_100000763181_100000751183 [0,1,0,1,0,0|1,0,1]=4 6640 B11R1.16 CC=CC(=O)C1C=CCCC1 1458a_100000210699_100000751183 [0,1,0,1,0,0|1,0,1]=4 6641 B11R1.16 CCCC(=O)C1=CCCCC1 1458a_100000765259_100000210303 [0,1,0,1,0,0|1,0,1]=4 6642 B11R1.16 CCCC(=O)C1=COCCC1 1458a_100000749935_100000210303 [0,1,0,1,0,0|2,0,0]=4 6643 B11R1.16 CCCC(=O)C1C=CCCC1 1458a_100000211992_100000751183 [0,1,0,1,0,0|1,0,0]=3 6644 B11R1.16 CCCC(=O)N1CC=CCC1 11a_100000698166_100000211992 [0,1,0,1,0,0|2,0,0]=4 6645 B11R1.16 CCCC(=O)N1CC=CCC1 1626a_100000698166_100000211992 [0,1,0,1,0,0|2,0,0]=4 6646 B11R1.16 CCCC(=O)N1CC=CCC1 240690a_100000698166_100000211992 [0,1,0,1,0,0|2,0,0]=4 6647 B11R1.16 CCCC(=O)N1CC=CCC1 527a_100000698166_100000211992 [0,1,0,1,0,0|2,0,0]=4 6648 B11R1.16 CCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210303 [0,1,0,1,0,0|1,0,0]=3 6649 B11R1.16 CCNC(=O)C1=CCCCC1 11a_100015525214_100000765259 [0,1,0,1,0,0|1,0,1]=4 6650 B11R1.16 CCNC(=O)C1=CCCCC1 240690a_100015525214_100000765259 [0,1,0,1,0,0|1,0,1]=4 6651 B11R1.16 CCNC(=O)C1=CCCCC1 527a_100015525214_100000765259 [0,1,0,1,0,0|1,0,1]=4 6652 B11R1.16 CCNC(=O)C1=COCCC1 527a_100015525214_100000749935 [0,1,0,1,0,0|2,0,0]=4 6653 B11R1.16 CCNC(=O)N1CC=CCC1 2708a_100015525214_100000698166 [0,1,0,1,0,0|2,0,0]=4 6654 B11R1.16 CCNC(=O)N1CC=CCC1 273464a_100015525214_100000698166 [0,1,0,1,0,0|2,0,0]=4 6655 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 11a_100015525214_100009820709 [0,1,0,1,0,0|1,0,0]=3 6656 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 240690a_100015525214_100009820709 [0,1,0,1,0,0|1,0,0]=3 6657 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 527a_100015525214_100009820709 [0,1,0,1,0,0|1,0,0]=3 6658 B11R1.16 CNNC(=O)[C@H]1CC=CCC1 22a_100016993582_100009820709 [0,1,0,1,0,0|2,0,0]=4 6659 B11R1.16 COCC(=O)C1C=CCCC1 1458a_100000210968_100000751183 [0,1,0,1,0,0|2,0,0]=4 6660 B11R1.16 CSCC(=O)C1C=CCCC1 1458a_100000184570_100000751183 [0,1,0,1,0,0|2,0,0]=4 6661 B11R1.16 O=C(CCF)[C@H]1CC=CCC1 1458a_100009820709_100011217306 [0,1,0,1,0,0|2,0,0]=4 6662 B11R1.16 O=C(CCO)C1C=CCCC1 1458a_100011216618_100000751183 [0,1,0,1,0,0|2,0,0]=4 6663 B11R1.16 O=C(CCO)[C@H]1CC=CCC1 1458a_100009820709_100000211926 [0,1,0,1,0,0|2,0,0]=4 6664 B11R1.24 C#CCCN1CCOC(=O)C1 2230a_100000131268_100000688953 [0,1,0,1,0,0|0,0,2]=4 6665 B11R1.24 C=CCCN1CCC=C(C1)C 2230a_100000725631_100000754431 [0,1,0,1,0,0|2,0,0]=4 6666 B11R1.24 C=CCCN1CCC=C(C1)C 269982a_100000725631_100000754431 [0,1,0,1,0,0|2,0,0]=4 6667 B11R1.24 C=CCCN1CCC=C(C1)C 34a_100000725631_100000754431 [0,1,0,1,0,0|2,0,0]=4 6668 B11R1.24 C=CCCN1CCNC(=O)C1 2230a_100000184651_100000754431 [0,1,0,1,0,0|1,0,0]=3 6669 B11R1.24 C=CCCN1CCOC(=O)C1 2230a_100000131268_100000754431 [0,1,0,1,0,0|0,0,0]=2 6670 B11R1.24 C=CCCN1CCOC(C1)C 2230a_100000729577_100000754431 [0,1,0,1,0,0|1,0,1]=4 6671 B11R1.24 C=CCCN1CCOC(C1)C 269982a_100000729577_100000754431 [0,1,0,1,0,0|1,0,1]=4 6672 B11R1.24 C=CCCN1CCOC(C1)C 34a_100000729577_100000754431 [0,1,0,1,0,0|1,0,1]=4 6673 B11R1.24 C=CCCN1CCOC(C1)O 2230a_100000688207_100000754431 [0,1,0,1,0,0|0,0,2]=4 6674 B11R1.24 C=CCCN1CCOC(C1)O 269982a_100000688207_100000754431 [0,1,0,1,0,0|0,0,2]=4 6675 B11R1.24 C=CCNC1CCNC(=O)C1 2230a_100016994916_100000210623 [0,1,0,1,0,0|1,0,0]=3 6676 B11R1.24 C=CCNC1CCNC(=O)C1 34a_100016994916_100015514636 [0,1,0,1,0,0|1,0,0]=3 6677 B11R1.24 C=CCNC1CCOC(C1)C 270004a_100020586998_100000755752 [0,1,0,1,0,0|1,0,1]=4 6678 B11R1.24 C=CCOC1CCCC(=O)C1 34a_100012613340_100015514636 [0,1,0,1,0,0|1,0,0]=3 6679 B11R1.24 C=CCOC1CCOC(C1)C 34a_100011986385_100015514636 [0,1,0,1,0,0|1,0,1]=4 6680 B11R1.24 C=CCOC1CCOC(C1)C 7a_100011986385_100015514636 [0,1,0,1,0,0|1,0,1]=4 6681 B11R1.24 C=CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100015514636 [0,1,0,1,0,0|1,0,0]=3 6682 B11R1.24 CC=CCN1CCNC(=O)C1 2230a_100000184651_100000070051 [0,1,0,1,0,0|2,0,0]=4 6683 B11R1.24 CC=CCN1CCOC(=O)C1 2230a_100000131268_100000070051 [0,1,0,1,0,0|1,0,0]=3 6684 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [0,1,0,1,0,0|0,0,2]=4 6685 B11R1.24 COCCN1CCOC(=O)C1 2230a_100000131268_100011201679 [0,1,0,1,0,0|1,0,1]=4 6686 B11R1.24 CSCCN1CCOC(=O)C1 2230a_100000131268_100000751147 [0,1,0,1,0,0|1,0,1]=4 6687 B11R1.24 N#CCCN1CCOC(=O)C1 2230a_100000131268_100011215226 [0,1,0,1,0,0|1,0,1]=4 6688 B11R1.24 O=C1CN(CCO1)CCCF 2230a_100000131268_100011934791 [0,1,0,1,0,0|1,0,1]=4 6689 B11R1.24 O=C1CN(CCO1)CCCO 2230a_100000131268_100000230001 [0,1,0,1,0,0|1,0,1]=4 6690 B11R1.24 O=CCNC1CCNC(=O)C1 2230a_100016994916_200015260668 [0,1,0,1,0,0|2,0,0]=4 6691 B11R1.24 O=CCNC1CCNC(=O)C1 34a_100016994916_200009817547 [0,1,0,1,0,0|2,0,0]=4 6692 B11R1.24 O=CCOC1CCCC(=O)C1 34a_100012613340_200009817547 [0,1,0,1,0,0|2,0,0]=4 6693 B11R1.24 O=CCO[C@@H]1CCNC(=O)C1 34a_100015189427_200009817547 [0,1,0,1,0,0|2,0,0]=4 6694 B11R1.30 CCCC(=O)CC1=CCCC1 1458a_100000050221_100000210303 [0,1,0,1,0,0|1,0,1]=4 6695 B11R1.30 CCCC(=O)CC1C=CCC1 1458a_100000212241_100000210303 [0,1,0,1,0,0|1,0,0]=3 6696 B11R1.30 CCCC(=O)CC1CC=CC1 1458a_200000137526_100000210303 [0,1,0,1,0,0|1,0,0]=3 6697 B11R1.30 CCCC(=O)CN1CC=CC1 269982a_100015195280_100000747444 [0,1,0,1,0,0|2,0,0]=4 6698 B11R1.30 CCCC(=O)NC1CC=CC1 11a_100015188752_100000211992 [0,1,0,1,0,0|2,0,0]=4 6699 B11R1.30 CCCC(=O)NC1CC=CC1 1626a_100015188752_100000211992 [0,1,0,1,0,0|2,0,0]=4 6700 B11R1.30 CCCC(=O)NC1CC=CC1 240690a_100015188752_100000211992 [0,1,0,1,0,0|2,0,0]=4 6701 B11R1.30 CCCC(=O)NC1CC=CC1 527a_100015188752_100000211992 [0,1,0,1,0,0|2,0,0]=4 6702 B11R1.30 CCNC(=O)CC1=CCCC1 11a_100015525214_100000050221 [0,1,0,1,0,0|1,0,1]=4 6703 B11R1.30 CCNC(=O)CC1=CCCC1 240690a_100015525214_100000050221 [0,1,0,1,0,0|1,0,1]=4 6704 B11R1.30 CCNC(=O)CC1=CCCC1 527a_100015525214_100000050221 [0,1,0,1,0,0|1,0,1]=4 6705 B11R1.30 CCNC(=O)CC1C=CCC1 11a_100015525214_100000212241 [0,1,0,1,0,0|1,0,0]=3 6706 B11R1.30 CCNC(=O)CC1C=CCC1 240690a_100015525214_100000212241 [0,1,0,1,0,0|1,0,0]=3 6707 B11R1.30 CCNC(=O)CC1C=CCC1 527a_100015525214_100000212241 [0,1,0,1,0,0|1,0,0]=3 6708 B11R1.30 CCNC(=O)CC1CC=CC1 11a_100015525214_200000137526 [0,1,0,1,0,0|1,0,0]=3 6709 B11R1.30 CCNC(=O)CC1CC=CC1 240690a_100015525214_200000137526 [0,1,0,1,0,0|1,0,0]=3 6710 B11R1.30 CCNC(=O)CC1CC=CC1 527a_100015525214_200000137526 [0,1,0,1,0,0|1,0,0]=3 6711 B11R1.30 CCNC(=O)CN1CC=CC1 269982a_100015195280_100000183381 [0,1,0,1,0,0|2,0,0]=4 6712 B11R1.30 CCNC(=O)NC1CC=CC1 2708a_100015188752_100015525214 [0,1,0,1,0,0|2,0,0]=4 6713 B11R1.30 CCNC(=O)NC1CC=CC1 2708a_100015525214_100015188752 [0,1,0,1,0,0|2,0,0]=4 6714 B11R1.30 CCNC(=O)NC1CC=CC1 273464a_100015188752_100015525214 [0,1,0,1,0,0|2,0,0]=4 6715 B11R1.30 CCNC(=O)NC1CC=CC1 273464a_100015525214_100015188752 [0,1,0,1,0,0|2,0,0]=4 6716 B11R1.30 CCNC(=O)NC1CC=CC1 512a_100015188752_100015525214 [0,1,0,1,0,0|2,0,0]=4 6717 B11R1.30 CCNC(=O)NC1CC=CC1 512a_100015525214_100015188752 [0,1,0,1,0,0|2,0,0]=4 6718 B11R1.30 CCOC(=O)CN1CC=CC1 269982a_100015195280_100000188475 [0,1,0,1,0,0|1,0,0]=3 6719 B11R1.30 CCOC(=O)CN1CCCC1 2230a_100000188435_100000188475 [0,1,0,1,0,0|0,0,2]=4 6720 B11R1.30 CCOC(=O)CN1CCCC1 269982a_100000188435_100000188475 [0,1,0,1,0,0|0,0,2]=4 6721 B11R1.30 CCOC(=O)CN1CCSC1 2230a_100011215254_100000188475 [0,1,0,1,0,0|1,0,1]=4 6722 B11R1.30 CCOC(=O)CN1CCSC1 269982a_100011215254_100000188475 [0,1,0,1,0,0|1,0,1]=4 6723 B11R1.30 CNNC(=O)CC1C=CCC1 22a_100016993582_100000212241 [0,1,0,1,0,0|2,0,0]=4 6724 B11R1.30 CNNC(=O)CC1CC=CC1 22a_100016993582_200000137526 [0,1,0,1,0,0|2,0,0]=4 6725 B11R1.30 O=C(CCF)CC1C=CCC1 1458a_100000212241_100011217306 [0,1,0,1,0,0|2,0,0]=4 6726 B11R1.30 O=C(CCF)CC1CC=CC1 1458a_200000137526_100011217306 [0,1,0,1,0,0|2,0,0]=4 6727 B11R1.30 O=C(CCO)CC1C=CCC1 1458a_100000212241_100000211926 [0,1,0,1,0,0|2,0,0]=4 6728 B11R1.30 O=C(CCO)CC1CC=CC1 1458a_200000137526_100000211926 [0,1,0,1,0,0|2,0,0]=4 6729 B11R1.110 C=CCN1CCCNC(=O)C1 2230a_100015190381_100000210623 [0,1,0,1,0,0|2,0,0]=4 6730 B11R1.117 CCOC1CC/C=C\CCC1 34a_100016989180_100000210202 [0,1,0,1,0,0|1,0,1]=4 6731 B11R1.117 CCOC1CC/C=C\CCC1 34a_100121572206_100021000466 [0,1,0,1,0,0|1,0,1]=4 6732 B11R1.127 C=CCN1CC[C@@H](C1)OCC 2230a_100011787710_100000210623 [0,1,0,1,0,0|1,0,1]=4 6733 B11R1.127 C=CCN1CC[C@@H](C1)OCC 269982a_100011787710_100000210623 [0,1,0,1,0,0|1,0,1]=4 6734 B11R1.127 C=CCN1CC[C@@H](C1)OCC 34a_100011787710_100015514636 [0,1,0,1,0,0|1,0,1]=4 6735 B11R1.135 C=CCN1CCNC(=O)CC1 2230a_100000698595_100000210623 [0,1,0,1,0,0|1,0,0]=3 6736 B11R1.135 C=CCN1CCNC(=O)CC1 269982a_100000698595_100000210623 [0,1,0,1,0,0|1,0,0]=3 6737 B11R1.135 O=CCN1CCNC(=O)CC1 2230a_100000698595_200015260668 [0,1,0,1,0,0|2,0,0]=4 6738 B11R1.135 O=CCN1CCNC(=O)CC1 269982a_100000698595_200015260668 [0,1,0,1,0,0|2,0,0]=4 6739 B11R1.180 C#CCCNC1CCOC1=O 34a_100000755551_100000211211 [0,1,0,1,0,0|0,0,2]=4 6740 B11R1.180 C#CCCOC1CCOC1=O 34a_100011215631_100000211211 [0,1,0,1,0,0|0,0,2]=4 6741 B11R1.180 C#CCCSC1CCOC1=O 62a_100000211211_100000688953 [0,1,0,1,0,0|0,0,2]=4 6742 B11R1.180 C#CCCSC1CCOC1=O 62a_100000688953_100000211211 [0,1,0,1,0,0|0,0,2]=4 6743 B11R1.180 C/C=C/CNC1CCNC1=O 34a_100016995588_100102629194 [0,1,0,1,0,0|2,0,0]=4 6744 B11R1.180 C/C=C/COC1CCCC1=O 34a_100016270725_100000709159 [0,1,0,1,0,0|2,0,0]=4 6745 B11R1.180 C/C=C/COC1CCCC1=O 34a_200000719330_100102629194 [0,1,0,1,0,0|2,0,0]=4 6746 B11R1.180 C/C=C/COC1CCOC1=O 34a_100016270725_100000211211 [0,1,0,1,0,0|1,0,0]=3 6747 B11R1.180 C/C=C/CO[C@H]1CCNC1=O 34a_100000688343_100102629194 [0,1,0,1,0,0|2,0,0]=4 6748 B11R1.180 C/C=C/CSC1CCCC1=O 62a_100000211823_100102629194 [0,1,0,1,0,0|2,0,0]=4 6749 B11R1.180 C/C=C/CSC1CCCC1=O 62a_100102629194_100000211823 [0,1,0,1,0,0|2,0,0]=4 6750 B11R1.180 C/C=C/CSC1CCOC1=O 62a_100000211211_100102629194 [0,1,0,1,0,0|1,0,0]=3 6751 B11R1.180 C/C=C/CSC1CCOC1=O 62a_100102629194_100000211211 [0,1,0,1,0,0|1,0,0]=3 6752 B11R1.180 C=CCCNC1CCCC1=O 2230a_100015191253_100000211823 [0,1,0,1,0,0|1,0,0]=3 6753 B11R1.180 C=CCCNC1CCNC1=O 2230a_100016995588_100000754431 [0,1,0,1,0,0|1,0,0]=3 6754 B11R1.180 C=CCCNC1CCNC1=O 34a_100016995588_100000754431 [0,1,0,1,0,0|1,0,0]=3 6755 B11R1.180 C=CCCNC1CCOC1=O 2230a_100015191253_100000211211 [0,1,0,1,0,0|0,0,0]=2 6756 B11R1.180 C=CCCNC1CCOC1C 270004a_100015191253_100000691750 [0,1,0,1,0,0|1,0,1]=4 6757 B11R1.180 C=CCCN[C@@H]1CONC1=O 2230a_100000765999_100000754431 [0,1,0,1,0,0|2,0,0]=4 6758 B11R1.180 C=CCCN[C@@H]1CONC1=O 34a_100000765999_100000754431 [0,1,0,1,0,0|2,0,0]=4 6759 B11R1.180 C=CCCOC1CCCC1=O 34a_100011205117_100000709159 [0,1,0,1,0,0|1,0,0]=3 6760 B11R1.180 C=CCCOC1CCCC1=O 34a_200000719330_100000754431 [0,1,0,1,0,0|1,0,0]=3 6761 B11R1.180 C=CCCOC1CCOC1=O 34a_100011205117_100000211211 [0,1,0,1,0,0|0,0,0]=2 6762 B11R1.180 C=CCCO[C@H]1CCNC1=O 34a_100000688343_100000754431 [0,1,0,1,0,0|1,0,0]=3 6763 B11R1.180 C=CCCSC1CCCC1=O 62a_100000211823_100000754431 [0,1,0,1,0,0|1,0,0]=3 6764 B11R1.180 C=CCCSC1CCCC1=O 62a_100000754431_100000211823 [0,1,0,1,0,0|1,0,0]=3 6765 B11R1.180 C=CCCSC1CCOC1=O 62a_100000211211_100000754431 [0,1,0,1,0,0|0,0,0]=2 6766 B11R1.180 C=CCCSC1CCOC1=O 62a_100000754431_100000211211 [0,1,0,1,0,0|0,0,0]=2 6767 B11R1.180 C=CCOCC1=CCCC1=O 34a_100000087531_100015514636 [0,1,0,1,0,0|2,0,0]=4 6768 B11R1.180 C=CCOCC1CCNC1=O 34a_100000133458_100015514636 [0,1,0,1,0,0|1,0,0]=3 6769 B11R1.180 C=CCSCN1CCCC1=O 62a_100000026320_100000210623 [0,1,0,1,0,0|2,0,0]=4 6770 B11R1.180 C=CCSCN1CCCC1=O 62a_100000210623_100000026320 [0,1,0,1,0,0|2,0,0]=4 6771 B11R1.180 CC=CCNC1CCNC1=O 2230a_100016995588_100000070051 [0,1,0,1,0,0|2,0,0]=4 6772 B11R1.180 CC=CCNC1CCNC1=O 34a_100016995588_100000070051 [0,1,0,1,0,0|2,0,0]=4 6773 B11R1.180 CC=CCOC1CCCC1=O 34a_200000719330_100000070051 [0,1,0,1,0,0|2,0,0]=4 6774 B11R1.180 CC=CCO[C@H]1CCNC1=O 34a_100000688343_100000070051 [0,1,0,1,0,0|2,0,0]=4 6775 B11R1.180 CC=CCSC1CCCC1=O 62a_100000070051_100000211823 [0,1,0,1,0,0|2,0,0]=4 6776 B11R1.180 CC=CCSC1CCCC1=O 62a_100000211823_100000070051 [0,1,0,1,0,0|2,0,0]=4 6777 B11R1.180 CC=CCSC1CCOC1=O 62a_100000070051_100000211211 [0,1,0,1,0,0|1,0,0]=3 6778 B11R1.180 CC=CCSC1CCOC1=O 62a_100000211211_100000070051 [0,1,0,1,0,0|1,0,0]=3 6779 B11R1.180 CCCCNC1CCOC1=O 2230a_100000102301_100000211211 [0,1,0,1,0,0|0,0,2]=4 6780 B11R1.180 CCCCNC1CCOC1=O 7a_106832991798_100000211211 [0,1,0,1,0,0|0,0,2]=4 6781 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [0,1,0,1,0,0|0,0,2]=4 6782 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [0,1,0,1,0,0|0,0,2]=4 6783 B11R1.180 CCCCSC1CCOC1=O 62a_100000210211_100000211211 [0,1,0,1,0,0|0,0,2]=4 6784 B11R1.180 CCCCSC1CCOC1=O 62a_100000211211_100000210210 [0,1,0,1,0,0|0,0,2]=4 6785 B11R1.180 COCCNC1CCOC1=O 2230a_100000209980_100000211211 [0,1,0,1,0,0|1,0,1]=4 6786 B11R1.180 COCCOC1CCOC1=O 34a_100000210237_100000211211 [0,1,0,1,0,0|1,0,1]=4 6787 B11R1.180 COCCSC1CCOC1=O 62a_100000211211_100000233755 [0,1,0,1,0,0|1,0,1]=4 6788 B11R1.180 COCCSC1CCOC1=O 62a_100000233755_100000211211 [0,1,0,1,0,0|1,0,1]=4 6789 B11R1.180 CSCCNC1CCOC1=O 2230a_100020590264_100000211211 [0,1,0,1,0,0|1,0,1]=4 6790 B11R1.180 CSCCOC1CCOC1=O 34a_100000230434_100000211211 [0,1,0,1,0,0|1,0,1]=4 6791 B11R1.180 CSCCOC1CCOC1=O 7a_100000230434_100000211211 [0,1,0,1,0,0|1,0,1]=4 6792 B11R1.180 CSCCSC1CCOC1=O 62a_100000211211_100000751147 [0,1,0,1,0,0|1,0,1]=4 6793 B11R1.180 CSCCSC1CCOC1=O 62a_100000212216_100000211211 [0,1,0,1,0,0|1,0,1]=4 6794 B11R1.180 N#CCCSC1CCOC1=O 62a_100000211211_100011215226 [0,1,0,1,0,0|1,0,1]=4 6795 B11R1.180 N#CCCSC1CCOC1=O 62a_100011215226_100000211211 [0,1,0,1,0,0|1,0,1]=4 6796 B11R1.180 NCCCOC1CCOC1=O 34a_100000182051_100000211211 [0,1,0,1,0,0|1,0,1]=4 6797 B11R1.180 NOCCOC1CCOC1=O 34a_100000700252_100000211211 [0,1,0,1,0,0|2,0,0]=4 6798 B11R1.180 O=C1OCCC1NCCCF 2230a_100015189416_100000211211 [0,1,0,1,0,0|1,0,1]=4 6799 B11R1.180 O=C1OCCC1NCCCF 34a_100015189416_100000211211 [0,1,0,1,0,0|1,0,1]=4 6800 B11R1.180 O=C1OCCC1OCCCBr 34a_100011217188_100000211211 [0,1,0,1,0,0|1,0,1]=4 6801 B11R1.180 O=C1OCCC1OCCCCl 34a_100000230001_100000211211 [0,1,0,1,0,0|1,0,1]=4 6802 B11R1.180 O=C1OCCC1OCCCF 34a_100000759539_100000211211 [0,1,0,1,0,0|1,0,1]=4 6803 B11R1.180 O=C1OCCC1SCCCF 62a_100000211211_100011934791 [0,1,0,1,0,0|1,0,1]=4 6804 B11R1.180 O=C1OCCC1SCCCF 62a_100011934791_100000211211 [0,1,0,1,0,0|1,0,1]=4 6805 B11R1.180 O=C1OCCC1SCCCO 62a_100000211211_100011215043 [0,1,0,1,0,0|1,0,1]=4 6806 B11R1.180 O=C1OCCC1SCCCO 62a_100011215043_100000211211 [0,1,0,1,0,0|1,0,1]=4 6807 B11R1.180 O=CCOCC1CCNC1=O 34a_100000133458_200009817547 [0,1,0,1,0,0|2,0,0]=4 6808 B11R1.199 C=CCC(=O)C1CCCC1=O 1458a_100000210193_100000211823 [0,1,0,1,0,0|1,0,1]=4 6809 B11R1.199 C=CCC(=O)C1CCOC1=O 1458a_100000210193_100000211211 [0,1,0,1,0,0|0,0,1]=3 6810 B11R1.199 C=CCN(C)C1CCCC1=O 2230a_100000225617_100000211823 [0,1,0,1,0,0|2,0,0]=4 6811 B11R1.199 C=CCN(C)C1CCCC1=O 269982a_100000225617_100000211823 [0,1,0,1,0,0|2,0,0]=4 6812 B11R1.199 C=CCN(C)C1CCOC1=O 2230a_100000225617_100000211211 [0,1,0,1,0,0|1,0,0]=3 6813 B11R1.199 C=CCN(C)C1CCOC1=O 269982a_100000225617_100000211211 [0,1,0,1,0,0|1,0,0]=3 6814 B11R1.199 CCCC(=O)C1CCCC1=O 1458a_100000211992_100000211823 [0,1,0,1,0,0|1,0,1]=4 6815 B11R1.199 CCCC(=O)C1CCOC1=O 1458a_100000211992_100000211211 [0,1,0,1,0,0|2,0,0]=4 6816 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 2230a_100000703725_200000210301 [0,1,0,1,0,0|0,0,2]=4 6817 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 269982a_100000703725_200000210301 [0,1,0,1,0,0|0,0,2]=4 6818 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000703725_200025704644 [0,1,0,1,0,0|0,0,2]=4 6819 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000703725_200025704644 [0,1,0,1,0,0|0,0,2]=4 6820 B11R1.199 CCOC(=O)[C@@H]1CSCN1C 269982a_100016989239_200000210301 [0,1,0,1,0,0|1,0,1]=4 6821 B11R1.199 CCOC(=O)[C@@H]1CSCN1[13CH3] 269982a_100016989239_200025704644 [0,1,0,1,0,0|1,0,1]=4 6822 B11R1.210 C=CCCN1CC(C1)OCC 269982a_100000732654_100000754431 [0,1,0,1,0,0|1,0,1]=4 6823 B11R1.210 C=CCCN1CC(C1)OCC 34a_100000732654_100000754431 [0,1,0,1,0,0|1,0,1]=4 6824 B11R1.230 C=CCNC1CC(OC1=O)C 2230a_100020586998_200000216747 [0,1,0,1,0,0|1,0,0]=3 6825 B11R1.230 C=CCOC1CC(OC1=O)C 34a_200000210373_200000216747 [0,1,0,1,0,0|1,0,0]=3 6826 B11R1.230 C=CCSC1CC(OC1=O)C 62a_100000210623_200000216747 [0,1,0,1,0,0|1,0,0]=3 6827 B11R1.230 C=CCSC1CC(OC1=O)C 62a_200000216747_100000210623 [0,1,0,1,0,0|1,0,0]=3 6828 B11R1.230 CC1CC(C(=O)O1)SCC=O 62a_200000216747_200015260668 [0,1,0,1,0,0|2,0,0]=4 6829 B11R1.230 CC1CC(C(=O)O1)SCC=O 62a_200015260668_200000216747 [0,1,0,1,0,0|2,0,0]=4 6830 B11R1.288 CCOC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000188475 [0,1,0,1,0,0|1,0,1]=4 6831 B11R1.288 CCOC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000188475 [0,1,0,1,0,0|1,0,1]=4 6832 B11R1.288 CCOC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000188475 [0,1,0,1,0,0|1,0,1]=4 6833 B11R1.289 CCOC(=O)CCN1CCC1 269982a_100000754969_100011206558 [0,1,0,1,0,0|0,0,2]=4 6834 B11R1.289 CCOC(=O)CNC1CCC1 2230a_100000749019_100000188475 [0,1,0,1,0,0|0,0,2]=4 6835 B11R1.289 CCOC(=O)CNC1CCC1 34a_100000749019_100000188475 [0,1,0,1,0,0|0,0,2]=4 6836 B11R1.289 CCOC(=O)CNC1COC1 2230a_100016991112_100000188475 [0,1,0,1,0,0|1,0,1]=4 6837 B11R1.289 CCOC(=O)COC1CCC1 34a_100000748187_100000188475 [0,1,0,1,0,0|0,0,2]=4 6838 B11R1.289 CCOC(=O)COC1CSC1 7a_100000072292_100000188475 [0,1,0,1,0,0|1,0,1]=4 6839 B11R1.289 CCOC(=O)CSC1CCC1 62a_100000188475_100000749161 [0,1,0,1,0,0|0,0,2]=4 6840 B11R1.289 CCOC(=O)CSC1COC1 62a_100000188475_100009818527 [0,1,0,1,0,0|1,0,1]=4 6841 B11R1.290 CCOC(=O)CCNC1CC1 34a_100000212008_100000765890 [0,1,0,1,0,0|0,0,2]=4 6842 B11R1.290 CCOC(=O)CCSC1CC1 62a_100000765890_100000211595 [0,1,0,1,0,0|0,0,2]=4 6843 B11R1.290 CCOC(=O)CNCC1CC1 2230a_100000735609_100000188475 [0,1,0,1,0,0|0,0,2]=4 6844 B11R1.290 CCOC(=O)CNCC1CC1 34a_100000735609_100000188475 [0,1,0,1,0,0|0,0,2]=4 6845 B11R1.290 CCOC(=O)COCC1CC1 34a_100000211283_100000188475 [0,1,0,1,0,0|0,0,2]=4 6846 B11R1.290 CCOC(=O)COC[C@@H]1CO1 34a_100000757423_100000188475 [0,1,0,1,0,0|1,0,1]=4 6847 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000188475_100000742324 [0,1,0,1,0,0|0,0,2]=4 6848 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000756562_100000188475 [0,1,0,1,0,0|0,0,2]=4 6849 B11R1.290 CCOC(=O)CSCC1CO1 62a_100000188475_102125554688 [0,1,0,1,0,0|1,0,1]=4 6850 B11R1.290 CCOC(=O)CSCC1CO1 62a_102125554688_100000188475 [0,1,0,1,0,0|1,0,1]=4 6851 B11R1.290 CCOC(=O)CSCC1CS1 62a_100000031435_100000188475 [0,1,0,1,0,0|1,0,1]=4 6852 B11R1.290 CCOC(=O)CSCC1CS1 62a_100000188475_100000031435 [0,1,0,1,0,0|1,0,1]=4 6853 B11R1.290 CCOC(=O)CSC[C@@H]1CO1 62a_100000188475_100000745022 [0,1,0,1,0,0|1,0,1]=4 6854 B11R1.290 CCOC(=O)CSC[C@@H]1CO1 62a_100000745022_100000188475 [0,1,0,1,0,0|1,0,1]=4 6855 B11R1.291 CCOC(=O)CN1CCC1C 269982a_100000755817_100000188475 [0,1,0,1,0,0|0,0,2]=4 6856 B11R1.291 CCOC(=O)CN1CCC1C 34a_100000755817_100000188475 [0,1,0,1,0,0|0,0,2]=4 6857 B11R1.356 C/C=C/COCC(=O)C1CC1 34a_100000686663_100102629194 [0,1,0,1,0,0|2,0,0]=4 6858 B11R1.356 C/C=C/COCC(=O)C1CC1 34a_100016270725_100000746382 [0,1,0,1,0,0|2,0,0]=4 6859 B11R1.356 C/C=C/CSCC(=O)C1CC1 62a_100000746382_100102629194 [0,1,0,1,0,0|2,0,0]=4 6860 B11R1.356 C/C=C/CSCC(=O)C1CC1 62a_100102629194_100000746382 [0,1,0,1,0,0|2,0,0]=4 6861 B11R1.356 C=CCCCCC(=O)C1CC1 1458a_100000210395_100011215482 [0,1,0,1,0,0|1,0,0]=3 6862 B11R1.356 C=CCCCCC(=O)C1CO1 1458a_100000701028_100011215482 [0,1,0,1,0,0|2,0,0]=4 6863 B11R1.356 C=CCCCNC(=O)C1CC1 11a_100000700776_100000210395 [0,1,0,1,0,0|1,0,0]=3 6864 B11R1.356 C=CCCCNC(=O)C1CC1 1626a_100000700776_100000210395 [0,1,0,1,0,0|1,0,0]=3 6865 B11R1.356 C=CCCCNC(=O)C1CC1 240690a_100000700776_100000210395 [0,1,0,1,0,0|1,0,0]=3 6866 B11R1.356 C=CCCCNC(=O)C1CC1 527a_100000700776_100000210395 [0,1,0,1,0,0|1,0,0]=3 6867 B11R1.356 C=CCCCNC(=O)C1CO1 11a_100000700776_100000701028 [0,1,0,1,0,0|2,0,0]=4 6868 B11R1.356 C=CCCCNC(=O)C1CO1 1626a_100000700776_100000701028 [0,1,0,1,0,0|2,0,0]=4 6869 B11R1.356 C=CCCCNC(=O)C1CO1 240690a_100000700776_100000701028 [0,1,0,1,0,0|2,0,0]=4 6870 B11R1.356 C=CCCCNC(=O)C1CO1 527a_100000700776_100000701028 [0,1,0,1,0,0|2,0,0]=4 6871 B11R1.356 C=CCCNCC(=O)C1CC1 2230a_100015191253_100000746382 [0,1,0,1,0,0|1,0,0]=3 6872 B11R1.356 C=CCCOCC(=O)C1CC1 34a_100000686663_100000754431 [0,1,0,1,0,0|1,0,0]=3 6873 B11R1.356 C=CCCOCC(=O)C1CC1 34a_100011205117_100000746382 [0,1,0,1,0,0|1,0,0]=3 6874 B11R1.356 C=CCCSCC(=O)C1CC1 62a_100000746382_100000754431 [0,1,0,1,0,0|1,0,0]=3 6875 B11R1.356 C=CCCSCC(=O)C1CC1 62a_100000754431_100000746382 [0,1,0,1,0,0|1,0,0]=3 6876 B11R1.356 C=CCNCOC(=O)C1CC1 2230a_100020586998_100000140896 [0,1,0,1,0,0|2,0,0]=4 6877 B11R1.356 C=CCOCOC(=O)C1CC1 34a_200000210373_100000140896 [0,1,0,1,0,0|2,0,0]=4 6878 B11R1.356 C=CCSCOC(=O)C1CC1 62a_100000140896_100000210623 [0,1,0,1,0,0|2,0,0]=4 6879 B11R1.356 C=CCSCOC(=O)C1CC1 62a_100000210623_100000140896 [0,1,0,1,0,0|2,0,0]=4 6880 B11R1.356 CC=CCOCC(=O)C1CC1 34a_100000686663_100000070051 [0,1,0,1,0,0|2,0,0]=4 6881 B11R1.356 CC=CCSCC(=O)C1CC1 62a_100000070051_100000746382 [0,1,0,1,0,0|2,0,0]=4 6882 B11R1.356 CC=CCSCC(=O)C1CC1 62a_100000746382_100000070051 [0,1,0,1,0,0|2,0,0]=4 6883 B11R1.201 C=C1CC(C1)NC(=O)CCC 11a_100132301982_100000211992 [0,1,0,1,0,0|2,0,0]=4 6884 B11R1.201 C=C1CC(C1)NC(=O)CCC 1626a_100132301982_100000211992 [0,1,0,1,0,0|2,0,0]=4 6885 B11R1.201 C=C1CC(C1)NC(=O)CCC 527a_100132301982_100000211992 [0,1,0,1,0,0|2,0,0]=4 6886 B11R1.201 C=C1CC(C1)NC(=O)NCC 2708a_100015525214_100132301982 [0,1,0,1,0,0|2,0,0]=4 6887 B11R1.201 C=C1CC(C1)NC(=O)NCC 2708a_100132301982_100015525214 [0,1,0,1,0,0|2,0,0]=4 6888 B11R1.201 C=C1CC(C1)NC(=O)NCC 273464a_100015525214_100132301982 [0,1,0,1,0,0|2,0,0]=4 6889 B11R1.201 C=C1CC(C1)NC(=O)NCC 273464a_100132301982_100015525214 [0,1,0,1,0,0|2,0,0]=4 6890 B11R1.201 C=C1CC(C1)NC(=O)NCC 512a_100015525214_100132301982 [0,1,0,1,0,0|2,0,0]=4 6891 B11R1.201 C=C1CC(C1)NC(=O)NCC 512a_100132301982_100015525214 [0,1,0,1,0,0|2,0,0]=4 6892 B11R1.201 CCCC(=O)CC1CC(=O)C1 1458a_100000211992_100009874392 [0,1,0,1,0,0|1,0,1]=4 6893 B11R1.334 C=CCC(=O)CC(=O)C1CC1 1458a_100000210193_100000746382 [0,1,0,1,0,0|1,0,1]=4 6894 B11R1.334 C=CCN(C)CC(=O)C1CC1 2230a_100000225617_100000746382 [0,1,0,1,0,0|2,0,0]=4 6895 B11R1.334 C=CCN(C)CC(=O)C1CC1 269982a_100000225617_100000746382 [0,1,0,1,0,0|2,0,0]=4 6896 B11R1.15 CCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210303 [0,1,0,1,0,0|2,0,0]=4 6897 B11R1.15 CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210303 [0,1,0,1,0,0|2,0,0]=4 6898 B11R1.15 CCNC(=O)C1CCC(=O)N1 240690a_100015525214_100000210400 [0,1,0,1,0,0|2,0,0]=4 6899 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 11a_100015525214_100009814974 [0,1,0,1,0,0|2,0,0]=4 6900 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 240690a_100015525214_100009814974 [0,1,0,1,0,0|2,0,0]=4 6901 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 527a_100015525214_100009814974 [0,1,0,1,0,0|2,0,0]=4 6902 B11R1.15 CCOC(=O)C1CCN(C1)C 2230a_100016987290_200000210301 [0,1,0,1,0,0|1,0,1]=4 6903 B11R1.15 CCOC(=O)C1CCN(C1)C 269982a_100016987290_200000210301 [0,1,0,1,0,0|1,0,1]=4 6904 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 2230a_100016987290_200025704644 [0,1,0,1,0,0|1,0,1]=4 6905 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 269982a_100016987290_200025704644 [0,1,0,1,0,0|1,0,1]=4 6906 B11R1.90 C=C(C)CNC1CCNC1=O 2230a_100016995588_100000748629 [0,1,0,1,0,0|2,0,0]=4 6907 B11R1.90 C=C(C)CNC1CCNC1=O 34a_100016995588_100000748629 [0,1,0,1,0,0|2,0,0]=4 6908 B11R1.90 C=C(C)COC1CCCC1=O 34a_100000210245_100000709159 [0,1,0,1,0,0|2,0,0]=4 6909 B11R1.90 C=C(C)COC1CCCC1=O 34a_200000719330_100000748629 [0,1,0,1,0,0|2,0,0]=4 6910 B11R1.90 C=C(C)COC1CCOC1=O 34a_100000210245_100000211211 [0,1,0,1,0,0|1,0,0]=3 6911 B11R1.90 C=C(C)CO[C@H]1CCNC1=O 34a_100000688343_100000748629 [0,1,0,1,0,0|2,0,0]=4 6912 B11R1.90 C=C(C)CSC1CCCC1=O 62a_100000211823_100000211660 [0,1,0,1,0,0|2,0,0]=4 6913 B11R1.90 C=C(C)CSC1CCCC1=O 62a_100000748629_100000211823 [0,1,0,1,0,0|2,0,0]=4 6914 B11R1.90 C=C(C)CSC1CCOC1=O 62a_100000211211_100000211660 [0,1,0,1,0,0|1,0,0]=3 6915 B11R1.90 C=C(C)CSC1CCOC1=O 62a_100000748629_100000211211 [0,1,0,1,0,0|1,0,0]=3 6916 B11R1.90 C=C(F)CNC1CCNC1=O 2230a_100016995588_100009893438 [0,1,0,1,0,0|2,0,0]=4 6917 B11R1.90 C=C(F)CNC1CCNC1=O 34a_100016995588_100009893438 [0,1,0,1,0,0|2,0,0]=4 6918 B11R1.90 C=C(F)COC1CCCC1=O 34a_200000719330_100009893438 [0,1,0,1,0,0|2,0,0]=4 6919 B11R1.90 C=C(F)COC1CCCC1=O 34a_200010262243_100000709159 [0,1,0,1,0,0|2,0,0]=4 6920 B11R1.90 C=C(F)COC1CCOC1=O 34a_200010262243_100000211211 [0,1,0,1,0,0|1,0,0]=3 6921 B11R1.90 C=C(F)CO[C@H]1CCNC1=O 34a_100000688343_100009893438 [0,1,0,1,0,0|2,0,0]=4 6922 B11R1.90 C=C(F)CSC1CCCC1=O 62a_100000042424_100000211823 [0,1,0,1,0,0|2,0,0]=4 6923 B11R1.90 C=C(F)CSC1CCCC1=O 62a_100000211823_100000042424 [0,1,0,1,0,0|2,0,0]=4 6924 B11R1.90 C=C(F)CSC1CCOC1=O 62a_100000042424_100000211211 [0,1,0,1,0,0|1,0,0]=3 6925 B11R1.90 C=C(F)CSC1CCOC1=O 62a_100000211211_100000042424 [0,1,0,1,0,0|1,0,0]=3 6926 B11R1.90 CC(=O)CCC1CCOC1=O 1458a_100000117037_200000210301 [0,1,0,1,0,0|0,0,1]=3 6927 B11R1.90 CC(=O)CCN1CCOC1=O 1458a_100000744634_200000210301 [0,1,0,1,0,0|1,0,1]=4 6928 B11R1.90 CC(=O)COC1CCOC1=O 34a_100000211253_100000211211 [0,1,0,1,0,0|1,0,1]=4 6929 B11R1.90 NC(=O)CNC1CCOC1=O 2230a_100000711301_100000211211 [0,1,0,1,0,0|2,0,0]=4 6930 B11R1.90 NC(=O)CSC1CCOC1=O 62a_100000211211_100000747473 [0,1,0,1,0,0|2,0,0]=4 6931 B11R1.90 NC(=O)CSC1CCOC1=O 62a_100000747473_100000211211 [0,1,0,1,0,0|2,0,0]=4 6932 B11R1.90 O=C([O-])CSC1CCOC1=O 62a_100000211211_100020667443 [0,1,0,1,0,0|2,0,0]=4 6933 B11R1.90 O=C([O-])CSC1CCOC1=O 62a_100020667443_100000211211 [0,1,0,1,0,0|2,0,0]=4 6934 B11R1.90 [13CH3]C(=O)CCC1CCOC1=O 1458a_100000117037_200025704644 [0,1,0,1,0,0|0,0,1]=3 6935 B11R1.90 [13CH3]C(=O)CCN1CCOC1=O 1458a_100000744634_200025704644 [0,1,0,1,0,0|1,0,1]=4 6936 B11R1.157 C=C(C)CN1CCNC(=O)C1 2230a_100000184651_100000748629 [0,1,0,1,0,0|2,0,0]=4 6937 B11R1.157 C=C(C)CN1CCOC(=O)C1 2230a_100000131268_100000748629 [0,1,0,1,0,0|1,0,0]=3 6938 B11R1.157 C=C(F)CN1CCNC(=O)C1 2230a_100000184651_100009893438 [0,1,0,1,0,0|2,0,0]=4 6939 B11R1.157 C=C(F)CN1CCOC(=O)C1 2230a_100000131268_100009893438 [0,1,0,1,0,0|1,0,0]=3 6940 B11R1.157 NC(=O)CN1CCOC(=O)C1 2230a_100000131268_100000747473 [0,1,0,1,0,0|2,0,0]=4 6941 B11R1.720 C=C(C)COCC(=O)C1CC1 34a_100000210245_100000746382 [0,1,0,1,0,0|2,0,0]=4 6942 B11R1.720 C=C(C)COCC(=O)C1CC1 34a_100000686663_100000748629 [0,1,0,1,0,0|2,0,0]=4 6943 B11R1.720 C=C(C)CSCC(=O)C1CC1 62a_100000746382_100000211660 [0,1,0,1,0,0|2,0,0]=4 6944 B11R1.720 C=C(C)CSCC(=O)C1CC1 62a_100000748629_100000746382 [0,1,0,1,0,0|2,0,0]=4 6945 B11R1.720 C=C(F)COCC(=O)C1CC1 34a_100000686663_100009893438 [0,1,0,1,0,0|2,0,0]=4 6946 B11R1.720 C=C(F)COCC(=O)C1CC1 34a_200010262243_100000746382 [0,1,0,1,0,0|2,0,0]=4 6947 B11R1.720 C=C(F)CSCC(=O)C1CC1 62a_100000042424_100000746382 [0,1,0,1,0,0|2,0,0]=4 6948 B11R1.720 C=C(F)CSCC(=O)C1CC1 62a_100000746382_100000042424 [0,1,0,1,0,0|2,0,0]=4 6949 B11R1.720 CC(=O)CCCC(=O)C1CC1 1458a_100000210395_100011215641 [0,1,0,1,0,0|1,0,1]=4 6950 B11R1.720 NC(=O)CCCC(=O)C1CC1 1458a_100000210395_100102525003 [0,1,0,1,0,0|2,0,0]=4 6951 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)C 1458a_100009818562_200000210301 [0,1,0,1,0,0|0,0,1]=3 6952 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)[13CH3] 1458a_100009818562_200025704644 [0,1,0,1,0,0|0,0,1]=3 6953 B11R1.27 C=CCCCc1nc(no1)C 270196a_100000212224_100000766728 [0,1,0,1,0,0|1,0,1]=4 6954 B11R1.27 C=CCCCc1noc(n1)C 270196a_100011217847_100000070787 [0,1,0,1,0,0|1,0,1]=4 6955 B11R1.141 CC(C)CC(=O)C1CCC1=O 1458a_100000210554_100009892977 [0,1,0,1,0,0|2,0,0]=4 6956 B11R1.141 C[C@@H](O)CC(=O)C1CCC1=O 1458a_100011933948_100009892977 [0,1,0,1,0,0|2,0,0]=4 6957 B11R1.301 C=CCCCC(=O)CC1CC1 1458a_100000738066_100000757094 [0,1,0,1,0,0|1,0,0]=3 6958 B11R1.301 C=CCCCC(=O)CC1CC1 1458a_100000766728_100000742324 [0,1,0,1,0,0|1,0,0]=3 6959 B11R1.301 C=CCCCC(=O)CC1CO1 1458a_100000766728_100011216344 [0,1,0,1,0,0|1,0,0]=3 6960 B11R1.301 C=CCCCC(=O)CC1CS1 1458a_100000766728_100000031435 [0,1,0,1,0,0|1,0,0]=3 6961 B11R1.301 C=CCCCC(=O)C[C@@H]1CO1 1458a_100000766728_100000745022 [0,1,0,1,0,0|1,0,0]=3 6962 B11R1.301 C=CCCCC(=O)NC1CC1 1626a_100000212008_100000766728 [0,1,0,1,0,0|1,0,0]=3 6963 B11R1.301 C=CCCCC(=O)NC1CC1 240690a_100000212008_100000766728 [0,1,0,1,0,0|1,0,0]=3 6964 B11R1.301 C=CCCCC(=O)NC1CC1 527a_100000212008_100000766728 [0,1,0,1,0,0|1,0,0]=3 6965 B11R1.301 C=CCCNC(=O)CC1CC1 11a_100015191253_100000738066 [0,1,0,1,0,0|2,0,0]=4 6966 B11R1.301 C=CCCNC(=O)CC1CC1 1626a_100015191253_100000738066 [0,1,0,1,0,0|2,0,0]=4 6967 B11R1.301 C=CCCNC(=O)CC1CC1 240690a_100015191253_100000738066 [0,1,0,1,0,0|2,0,0]=4 6968 B11R1.301 C=CCCNC(=O)CC1CC1 527a_100015191253_100000738066 [0,1,0,1,0,0|2,0,0]=4 6969 B11R1.301 C=CCCNC(=O)NC1CC1 2708a_100000212008_100015191253 [0,1,0,1,0,0|2,0,0]=4 6970 B11R1.301 C=CCCNC(=O)NC1CC1 2708a_100015191253_100000212008 [0,1,0,1,0,0|2,0,0]=4 6971 B11R1.301 C=CCCNC(=O)NC1CC1 273464a_100000212008_100015191253 [0,1,0,1,0,0|2,0,0]=4 6972 B11R1.301 C=CCCNC(=O)NC1CC1 273464a_100015191253_100000212008 [0,1,0,1,0,0|2,0,0]=4 6973 B11R1.301 C=CCCNC(=O)NC1CC1 512a_100000212008_100015191253 [0,1,0,1,0,0|2,0,0]=4 6974 B11R1.301 C=CCNCC(=O)NC1CC1 2230a_100000702991_100000210623 [0,1,0,1,0,0|2,0,0]=4 6975 B11R1.301 C=CCNCC(=O)NC1CC1 2230a_100020586998_100000182950 [0,1,0,1,0,0|2,0,0]=4 6976 B11R1.301 C=CCOCC(=O)NC1CC1 34a_200000210373_100000182950 [0,1,0,1,0,0|2,0,0]=4 6977 B11R1.301 C=CCSCC(=O)CC1CC1 1458a_100000230395_100000742324 [0,1,0,1,0,0|2,0,0]=4 6978 B11R1.301 C=CCSCC(=O)CC1CO1 1458a_100000230395_100011216344 [0,1,0,1,0,0|2,0,0]=4 6979 B11R1.301 C=CCSCC(=O)CC1CS1 1458a_100000230395_100000031435 [0,1,0,1,0,0|2,0,0]=4 6980 B11R1.301 C=CCSCC(=O)C[C@@H]1CO1 1458a_100000230395_100000745022 [0,1,0,1,0,0|2,0,0]=4 6981 B11R1.301 C=CCSCC(=O)NC1CC1 1626a_100000212008_100000230395 [0,1,0,1,0,0|2,0,0]=4 6982 B11R1.301 C=CCSCC(=O)NC1CC1 240690a_100000212008_100000230395 [0,1,0,1,0,0|2,0,0]=4 6983 B11R1.301 C=CCSCC(=O)NC1CC1 527a_100000212008_100000230395 [0,1,0,1,0,0|2,0,0]=4 6984 B11R1.301 C=CCSCC(=O)NC1CC1 62a_100000182950_100000210623 [0,1,0,1,0,0|2,0,0]=4 6985 B11R1.301 C=CCSCC(=O)NC1CC1 62a_100000210623_100000182950 [0,1,0,1,0,0|2,0,0]=4 6986 B11R1.301 C=COCCC(=O)CC1CC1 1458a_100000738066_100000039644 [0,1,0,1,0,0|2,0,0]=4 6987 B11R1.1034 C=CCCCC(=O)C1CC1C 1458a_100000211227_100000757094 [0,1,0,1,0,0|1,0,0]=3 6988 B11R1.1034 C=CCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000757094 [0,1,0,1,0,0|1,0,0]=3 6989 B11R1.1034 C=CCCNC(=O)C1CC1C 11a_100015191253_100000211227 [0,1,0,1,0,0|2,0,0]=4 6990 B11R1.1034 C=CCCNC(=O)C1CC1C 1626a_100015191253_100000211227 [0,1,0,1,0,0|2,0,0]=4 6991 B11R1.1034 C=CCCNC(=O)C1CC1C 527a_100015191253_100000211227 [0,1,0,1,0,0|2,0,0]=4 6992 B11R1.1034 C=CCCNC(=O)[C@@H]1C[C@@H]1F 11a_100015191253_100015396687 [0,1,0,1,0,0|2,0,0]=4 6993 B11R1.1034 C=CCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015191253_100015396687 [0,1,0,1,0,0|2,0,0]=4 6994 B11R1.1034 C=CCCNC(=O)[C@@H]1C[C@@H]1F 527a_100015191253_100015396687 [0,1,0,1,0,0|2,0,0]=4 6995 B11R1.1034 C=COCCC(=O)C1CC1C 1458a_100000211227_100000039644 [0,1,0,1,0,0|2,0,0]=4 6996 B11R1.1034 C=COCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000039644 [0,1,0,1,0,0|2,0,0]=4 6997 B11R1.13 C=CCN1CCNC(=O)C1C 2230a_100000750721_100000210623 [0,1,0,1,0,0|2,0,0]=4 6998 B11R1.13 C=CCN1CCNC(=O)C1C 269982a_100000750721_100000210623 [0,1,0,1,0,0|2,0,0]=4 6999 B11R1.13 C=CCN1CCNC(=O)C1C 34a_100000750721_100015514636 [0,1,0,1,0,0|2,0,0]=4 7000 B11R1.17 C=CCNC1CCCNC1=O 2230a_100000747585_100000210623 [0,1,0,1,0,0|2,0,0]=4 7001 B11R1.17 C=CCNC1CCCNC1=O 2230a_100020586998_100000687798 [0,1,0,1,0,0|2,0,0]=4 7002 B11R1.17 C=CCNC1CCCNC1=O 34a_100000747585_100015514636 [0,1,0,1,0,0|2,0,0]=4 7003 B11R1.17 C=CCOC1CCCCC1=O 34a_100011214950_100015514636 [0,1,0,1,0,0|2,0,0]=4 7004 B11R1.17 C=CCOC1CCCCC1=O 34a_200000210373_100000754470 [0,1,0,1,0,0|2,0,0]=4 7005 B11R1.17 C=CCOC1CCCNC1=O 34a_100000073722_100015514636 [0,1,0,1,0,0|2,0,0]=4 7006 B11R1.17 C=CCOC1CCCNC1=O 34a_200000210373_100000687798 [0,1,0,1,0,0|2,0,0]=4 7007 B11R1.17 C=CCOC1COCCC1=O 34a_200000210373_100012180262 [0,1,0,1,0,0|2,0,0]=4 7008 B11R1.17 C=CCSC1CCCCC1=O 62a_100000204591_100000210623 [0,1,0,1,0,0|2,0,0]=4 7009 B11R1.17 C=CCSC1CCCCC1=O 62a_100000210623_100000204591 [0,1,0,1,0,0|2,0,0]=4 7010 B11R1.17 C=CCSC1CCCNC1=O 62a_100000210623_100000687798 [0,1,0,1,0,0|2,0,0]=4 7011 B11R1.17 C=CCSC1CCCNC1=O 62a_100000687798_100000210623 [0,1,0,1,0,0|2,0,0]=4 7012 B11R1.17 C=CCSC1COCCC1=O 62a_100000210623_100012180262 [0,1,0,1,0,0|2,0,0]=4 7013 B11R1.17 C=CCSC1COCCC1=O 62a_100012180262_100000210623 [0,1,0,1,0,0|2,0,0]=4 7014 B11R1.29 CCOCC(=O)C1CCCC1 1458a_100000211967_100000179811 [0,1,0,1,0,0|0,0,2]=4 7015 B11R1.29 CCOCC(=O)C1CCOC1 1458a_100000211967_100000690089 [0,1,0,1,0,0|1,0,1]=4 7016 B11R1.526 C=CCCN(C)C(=O)C1CC1 11a_100020639649_100000210395 [0,1,0,1,0,0|2,0,0]=4 7017 B11R1.526 C=CCCN(C)C(=O)C1CC1 1626a_100020639649_100000210395 [0,1,0,1,0,0|2,0,0]=4 7018 B11R1.526 C=CCCN(C)C(=O)C1CC1 240690a_100020639649_100000210395 [0,1,0,1,0,0|2,0,0]=4 7019 B11R1.526 C=CCCN(C)C(=O)C1CC1 527a_100020639649_100000210395 [0,1,0,1,0,0|2,0,0]=4 7020 B11R1.822 CCOC(=O)C1CC(C1)OC 7a_100000093532_200000210301 [0,1,0,1,0,0|1,0,1]=4 7021 B11R1.822 CCOC(=O)C1CC(C1)O[13CH3] 7a_100000093532_200025704644 [0,1,0,1,0,0|1,0,1]=4 7022 B11R1.28 C=CCCCN1CCCOC1 2230a_100000131196_100011713584 [0,1,0,1,0,0|2,0,0]=4 7023 B11R1.28 C=CCCCN1CCCOC1 269982a_100000131196_100000757094 [0,1,0,1,0,0|2,0,0]=4 7024 B11R1.28 C=CCCCN1CCCOC1 34a_100000131196_100000757094 [0,1,0,1,0,0|2,0,0]=4 7025 B11R1.23 C=CC(=O)N1CCOC(=O)C1 240690a_100000131268_200121576911 [0,1,0,1,0,0|1,0,1]=4 7026 B11R1.192 C=CCN1CCN(C(=O)C1)C 2230a_100000187256_100000210623 [0,1,0,1,0,0|2,0,0]=4 7027 B11R1.192 C=CCN1CCN(C(=O)C1)C 269982a_100000187256_100000210623 [0,1,0,1,0,0|2,0,0]=4 7028 B11R1.212 C=CCNC1CCN(C1=O)C 2230a_100020586998_100000755940 [0,1,0,1,0,0|2,0,0]=4 7029 B11R1.212 C=CCOC1CCN(C1=O)C 34a_200000210373_100000755940 [0,1,0,1,0,0|2,0,0]=4 7030 B11R1.212 C=CCSC1CCN(C1=O)C 62a_100000210623_100000755940 [0,1,0,1,0,0|2,0,0]=4 7031 B11R1.212 C=CCSC1CCN(C1=O)C 62a_100000755940_100000210623 [0,1,0,1,0,0|2,0,0]=4 7032 B11R1.295 CCC(C)C(=O)C1CCC1=O 1458a_100011192722_100009892977 [0,1,0,1,0,0|2,0,0]=4 7033 B11R1.295 CCC(O)C(=O)C1CCC1=O 1458a_100011196387_100009892977 [0,1,0,1,0,0|2,0,0]=4 7034 B11R1.299 C#CCCCC(=O)C1CCO1 1458a_100000089072_100000731252 [0,1,0,1,0,0|0,0,2]=4 7035 B11R1.299 C=CCCCC(=O)C1CCC1 1458a_100000209988_100000757094 [0,1,0,1,0,0|1,0,0]=3 7036 B11R1.299 C=CCCCC(=O)C1CCC1 1458a_100000766728_100000749161 [0,1,0,1,0,0|1,0,0]=3 7037 B11R1.299 C=CCCCC(=O)C1CCO1 1458a_100000089072_100000757094 [0,1,0,1,0,0|0,0,0]=2 7038 B11R1.299 C=CCCCC(=O)C1COC1 1458a_100000758290_100000757094 [0,1,0,1,0,0|1,0,0]=3 7039 B11R1.299 C=CCCCC(=O)C1COC1 1458a_100000766728_100000687716 [0,1,0,1,0,0|1,0,0]=3 7040 B11R1.299 C=CCCCC(=O)N1CCC1 11a_100000754969_100000766728 [0,1,0,1,0,0|1,0,0]=3 7041 B11R1.299 C=CCCCC(=O)N1CCC1 240690a_100000754969_100000766728 [0,1,0,1,0,0|1,0,0]=3 7042 B11R1.299 C=CCCCC(=O)N1CCC1 527a_100000754969_100000766728 [0,1,0,1,0,0|1,0,0]=3 7043 B11R1.299 C=CCCNC(=O)C1CCC1 11a_100015191253_100000209988 [0,1,0,1,0,0|2,0,0]=4 7044 B11R1.299 C=CCCNC(=O)C1CCC1 1626a_100015191253_100000209988 [0,1,0,1,0,0|2,0,0]=4 7045 B11R1.299 C=CCCNC(=O)C1CCC1 240690a_100015191253_100000209988 [0,1,0,1,0,0|2,0,0]=4 7046 B11R1.299 C=CCCNC(=O)C1CCC1 527a_100015191253_100000209988 [0,1,0,1,0,0|2,0,0]=4 7047 B11R1.299 C=CCCNC(=O)C1CCO1 11a_100015191253_100000089072 [0,1,0,1,0,0|1,0,0]=3 7048 B11R1.299 C=CCCNC(=O)C1CCO1 1626a_100015191253_100000089072 [0,1,0,1,0,0|1,0,0]=3 7049 B11R1.299 C=CCCNC(=O)C1CCO1 240690a_100015191253_100000089072 [0,1,0,1,0,0|1,0,0]=3 7050 B11R1.299 C=CCCNC(=O)C1CCO1 527a_100015191253_100000089072 [0,1,0,1,0,0|1,0,0]=3 7051 B11R1.299 C=CCCNC(=O)C1COC1 11a_100015191253_100000758290 [0,1,0,1,0,0|2,0,0]=4 7052 B11R1.299 C=CCCNC(=O)C1COC1 1626a_100015191253_100000758290 [0,1,0,1,0,0|2,0,0]=4 7053 B11R1.299 C=CCCNC(=O)C1COC1 240690a_100015191253_100000758290 [0,1,0,1,0,0|2,0,0]=4 7054 B11R1.299 C=CCCNC(=O)C1COC1 527a_100015191253_100000758290 [0,1,0,1,0,0|2,0,0]=4 7055 B11R1.299 C=CCCNC(=O)N1CCC1 2708a_100015191253_100000754969 [0,1,0,1,0,0|2,0,0]=4 7056 B11R1.299 C=CCCNC(=O)N1CCC1 273464a_100015191253_100000754969 [0,1,0,1,0,0|2,0,0]=4 7057 B11R1.299 C=CCNCC(=O)C1CCC1 2230a_100020586998_100000686122 [0,1,0,1,0,0|2,0,0]=4 7058 B11R1.299 C=CCNCC(=O)N1CCC1 2230a_100020586998_100000185095 [0,1,0,1,0,0|2,0,0]=4 7059 B11R1.299 C=CCNNC(=O)C1CCO1 22a_100020588587_100000089072 [0,1,0,1,0,0|2,0,0]=4 7060 B11R1.299 C=CCOCC(=O)C1CCC1 34a_200000210373_100000686122 [0,1,0,1,0,0|2,0,0]=4 7061 B11R1.299 C=CCOCC(=O)N1CCC1 34a_200000210373_100000185095 [0,1,0,1,0,0|2,0,0]=4 7062 B11R1.299 C=CCSCC(=O)C1CCC1 1458a_100000230395_100000749161 [0,1,0,1,0,0|2,0,0]=4 7063 B11R1.299 C=CCSCC(=O)C1CCC1 62a_100000210623_100000686122 [0,1,0,1,0,0|2,0,0]=4 7064 B11R1.299 C=CCSCC(=O)C1CCC1 62a_100000686122_100000210623 [0,1,0,1,0,0|2,0,0]=4 7065 B11R1.299 C=CCSCC(=O)C1COC1 1458a_100000230395_100000687716 [0,1,0,1,0,0|2,0,0]=4 7066 B11R1.299 C=CCSCC(=O)N1CCC1 11a_100000754969_100000230395 [0,1,0,1,0,0|2,0,0]=4 7067 B11R1.299 C=CCSCC(=O)N1CCC1 240690a_100000754969_100000230395 [0,1,0,1,0,0|2,0,0]=4 7068 B11R1.299 C=CCSCC(=O)N1CCC1 527a_100000754969_100000230395 [0,1,0,1,0,0|2,0,0]=4 7069 B11R1.299 C=CCSCC(=O)N1CCC1 62a_100000185095_100000210623 [0,1,0,1,0,0|2,0,0]=4 7070 B11R1.299 C=CCSCC(=O)N1CCC1 62a_100000210623_100000185095 [0,1,0,1,0,0|2,0,0]=4 7071 B11R1.299 C=COCCC(=O)C1CCC1 1458a_100000209988_100000039644 [0,1,0,1,0,0|2,0,0]=4 7072 B11R1.299 C=COCCC(=O)C1CCO1 1458a_100000089072_100000039644 [0,1,0,1,0,0|1,0,0]=3 7073 B11R1.299 C=COCCC(=O)C1COC1 1458a_100000758290_100000039644 [0,1,0,1,0,0|2,0,0]=4 7074 B11R1.299 CCCCCC(=O)C1CCO1 1458a_100000089072_100000210326 [0,1,0,1,0,0|0,0,2]=4 7075 B11R1.299 COCCCC(=O)C1CCO1 1458a_100000089072_100000740836 [0,1,0,1,0,0|1,0,1]=4 7076 B11R1.299 N#CCCCC(=O)C1CCO1 1458a_100000089072_100000211468 [0,1,0,1,0,0|1,0,1]=4 7077 B11R1.299 O=C(CCCCF)C1CCO1 1458a_100000089072_100000729493 [0,1,0,1,0,0|1,0,1]=4 7078 B11R1.299 O=C(CCCCO)C1CCO1 1458a_100000089072_100000210776 [0,1,0,1,0,0|1,0,1]=4 7079 B11R1.300 C=CCCCC(=O)C1(CC1)C 1458a_100000756474_100000757094 [0,1,0,1,0,0|1,0,0]=3 7080 B11R1.300 C=CCCCC(=O)C1(CC1)F 1458a_100000055089_100000757094 [0,1,0,1,0,0|1,0,0]=3 7081 B11R1.300 C=CCCCC(=O)C1(CC1)O 1458a_100000241761_100000757094 [0,1,0,1,0,0|1,0,0]=3 7082 B11R1.300 C=CCCNC(=O)C1(CC1)C 11a_100015191253_100000756474 [0,1,0,1,0,0|2,0,0]=4 7083 B11R1.300 C=CCCNC(=O)C1(CC1)C 1626a_100015191253_100000756474 [0,1,0,1,0,0|2,0,0]=4 7084 B11R1.300 C=CCCNC(=O)C1(CC1)C 240690a_100015191253_100000756474 [0,1,0,1,0,0|2,0,0]=4 7085 B11R1.300 C=CCCNC(=O)C1(CC1)C 527a_100015191253_100000756474 [0,1,0,1,0,0|2,0,0]=4 7086 B11R1.300 C=CCCNC(=O)C1(CC1)F 11a_100015191253_100000055089 [0,1,0,1,0,0|2,0,0]=4 7087 B11R1.300 C=CCCNC(=O)C1(CC1)F 1626a_100015191253_100000055089 [0,1,0,1,0,0|2,0,0]=4 7088 B11R1.300 C=CCCNC(=O)C1(CC1)F 240690a_100015191253_100000055089 [0,1,0,1,0,0|2,0,0]=4 7089 B11R1.300 C=CCCNC(=O)C1(CC1)F 527a_100015191253_100000055089 [0,1,0,1,0,0|2,0,0]=4 7090 B11R1.300 C=CCCNC(=O)C1(CC1)O 240690a_100015191253_100000241761 [0,1,0,1,0,0|2,0,0]=4 7091 B11R1.300 C=COCCC(=O)C1(CC1)C 1458a_100000756474_100000039644 [0,1,0,1,0,0|2,0,0]=4 7092 B11R1.300 C=COCCC(=O)C1(CC1)F 1458a_100000055089_100000039644 [0,1,0,1,0,0|2,0,0]=4 7093 B11R1.300 C=COCCC(=O)C1(CC1)O 1458a_100000241761_100000039644 [0,1,0,1,0,0|2,0,0]=4 7094 B11R1.284 CCOCC(=O)CC1CCC1 1458a_100000211967_100000763275 [0,1,0,1,0,0|0,0,2]=4 7095 B11R1.284 CCOCC(=O)CC1CCO1 1458a_100000211967_100000103362 [0,1,0,1,0,0|1,0,1]=4 7096 B11R1.284 CCOCC(=O)CC1COC1 1458a_100000211967_100010264016 [0,1,0,1,0,0|1,0,1]=4 7097 B11R1.285 CCOCC(=O)CCC1CC1 1458a_100000211967_100000694398 [0,1,0,1,0,0|0,0,2]=4 7098 B11R1.285 CCOCC(=O)CCC1CO1 1458a_100000211967_100000732470 [0,1,0,1,0,0|1,0,1]=4 7099 B11R1.286 CCC#CC(=O)C1CCC1=O 1458a_100011827653_100009892977 [0,1,0,1,0,0|2,0,0]=4 7100 B11R1.286 CCC=CC(=O)C1CCC1=O 1458a_100000212282_100009892977 [0,1,0,1,0,0|2,0,0]=4 7101 B11R1.286 CCCCC(=O)C1CCC1=O 1458a_100000210183_100009892977 [0,1,0,1,0,0|2,0,0]=4 7102 B11R1.286 CCOCC(=O)C1CCC1=O 1458a_100000211967_100009892977 [0,1,0,1,0,0|1,0,0]=3 7103 B11R1.286 CCSCC(=O)C1CCC1=O 1458a_100000230394_100009892977 [0,1,0,1,0,0|1,1,0]=4 7104 B11R1.286 COCCC(=O)C1CCC1=O 1458a_100000749529_100009892977 [0,1,0,1,0,0|2,0,0]=4 7105 B11R1.286 CSCCC(=O)C1CCC1=O 1458a_100000174002_100009892977 [0,1,0,1,0,0|2,0,0]=4 7106 B11R1.465 C=CCOC1C(=O)COC1=O 34a_200000210373_100000032967 [0,1,0,1,0,0|1,0,1]=4 7107 B11R1.465 C=CCSC1C(=O)COC1=O 62a_100000210623_100000032967 [0,1,0,1,0,0|1,0,1]=4 7108 B11R1.605 CCNC1C(=O)CCCC1=O 2230a_100015525214_100009814513 [0,1,0,1,0,0|2,0,0]=4 7109 B11R1.605 CCSC1C(=O)CCCC1=O 62a_100000210202_100009814513 [0,1,0,1,0,0|1,1,0]=4 7110 B11R1.605 CCSC1C(=O)CCCC1=O 62a_100009814513_100000210202 [0,1,0,1,0,0|1,1,0]=4 7111 B11R1.228 C=CC(C)OC1CCCC1=O 34a_100000695699_100000709159 [0,1,0,1,0,0|2,0,0]=4 7112 B11R1.228 C=CC(C)OC1CCOC1=O 34a_100000695699_100000211211 [0,1,0,1,0,0|1,0,0]=3 7113 B11R1.228 C=CC(C)SC1CCCC1=O 62a_100011215867_100000211823 [0,1,0,1,0,0|2,0,0]=4 7114 B11R1.228 C=CC(C)SC1CCOC1=O 62a_100011215867_100000211211 [0,1,0,1,0,0|1,0,0]=3 7115 B11R1.524 C=CC(C)OCC(=O)C1CC1 34a_100000695699_100000746382 [0,1,0,1,0,0|2,0,0]=4 7116 B11R1.524 C=CC(C)SCC(=O)C1CC1 62a_100011215867_100000746382 [0,1,0,1,0,0|2,0,0]=4 7117 B11R2.248 CCOC1CC2C=CC1C2 34a_100000043678_100000210202 [0,0,0,2,0,0|1,0,1]=4 7118 B11R2.792 O=C1CCC1C(=O)C2CC2 1458a_100000210395_100009892977 [0,0,0,2,0,0|2,0,0]=4