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CC#CCOCOC(=O)CCC 34a_100000761923_100000034017 [0,0,0,0,0,0|1,0,3]=4 13 B11R0.4 CC#CCSCOC(=O)CCC 62a_100000748600_100000034017 [0,0,0,0,0,0|1,0,3]=4 14 B11R0.4 CC/C=C\CCNC(C)CCC 2230a_100000741246_100015370543 [0,0,0,0,0,0|2,0,1]=3 15 B11R0.4 CC/C=C\CCN[C@H](C)CCO 2230a_100000706166_100015370543 [0,0,0,0,0,0|3,0,1]=4 16 B11R0.4 CC/C=C\CCN[C@H](C)CCO 34a_100000706166_100015370543 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.4 CC/C=C\CCN[C@H](C)COC 2230a_100000764878_100015370543 [0,0,0,0,0,0|3,0,1]=4 18 B11R0.4 CC/C=C\CCOC(C)CC#N 7a_100016288707_100009813641 [0,0,0,0,0,0|2,0,2]=4 19 B11R0.4 CC/C=C\CCOC(C)CCBr 34a_100012276601_100015370543 [0,0,0,0,0,0|2,0,1]=3 20 B11R0.4 CC/C=C\CCOC(C)CCC 34a_100000764384_100015370543 [0,0,0,0,0,0|1,0,1]=2 21 B11R0.4 CC/C=C\CCOC(C)CCC 34a_100016288707_100000766640 [0,0,0,0,0,0|1,0,1]=2 22 B11R0.4 CC/C=C\CCOC(C)CCC 7a_100000764384_100015370543 [0,0,0,0,0,0|1,0,1]=2 23 B11R0.4 CC/C=C\CCOC(C)CCC 7a_100016288707_100000766640 [0,0,0,0,0,0|1,0,1]=2 24 B11R0.4 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62a_100103147603_100000185155 [0,0,0,0,0,0|4,0,0]=4 49 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100000188475_100103147603 [0,0,0,0,0,0|3,0,0]=3 50 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100103147603_100000188475 [0,0,0,0,0,0|3,0,0]=3 51 B11R0.4 CC/C=C\CSCC(C)CCC 62a_100011216630_100103147603 [0,0,0,0,0,0|3,0,1]=4 52 B11R0.4 CC/C=C\CSCC(C)CCC 62a_100103147603_100011216630 [0,0,0,0,0,0|3,0,1]=4 53 B11R0.4 CC=C=CCCOC(C)CCC 34a_100011020354_100000766640 [0,0,0,0,0,0|1,0,3]=4 54 B11R0.4 CC=CCCCOC(C)CCC 34a_100020645299_100000766640 [0,0,0,0,0,0|1,0,3]=4 55 B11R0.4 CC=CCSCOC(=O)CCC 62a_100000070051_100000034017 [0,0,0,0,0,0|1,0,2]=3 56 B11R0.4 CC=CCSCOC(=O)OCC 62a_100000070051_100000075025 [0,0,0,0,0,0|2,0,2]=4 57 B11R0.4 CCC#CCCOC(C)CCC 34a_100000036655_100000766640 [0,0,0,0,0,0|1,0,3]=4 58 B11R0.4 CCC#CCCOC(C)CCC 7a_100000036655_100000766640 [0,0,0,0,0,0|1,0,3]=4 59 B11R0.4 CCC#CCSCC(=O)CCC 62a_100000747444_100009813939 [0,0,0,0,0,0|2,0,2]=4 60 B11R0.4 CCC#CCSCC(=O)CCC 62a_100009813939_100000747444 [0,0,0,0,0,0|2,0,2]=4 61 B11R0.4 CCC/C=C/C=CC(=O)CCC 1458a_200016258893_100000210303 [0,0,0,0,0,0|1,0,3]=4 62 B11R0.4 CCC/C=C/COC(C)CCC 34a_100016278788_100000766640 [0,0,0,0,0,0|1,0,3]=4 63 B11R0.4 CCC/C=C/COC(C)CCC 7a_100016278788_100000766640 [0,0,0,0,0,0|1,0,3]=4 64 B11R0.4 CCC=CC=NNC(=O)CCC 4a_100000189770_100011216943 [0,0,0,0,0,0|2,0,1]=3 65 B11R0.4 CCC=CC=NNC(=O)COC 4a_100000216845_100011216943 [0,0,0,0,0,0|3,0,1]=4 66 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,0,0,0,0,0|2,0,2]=4 67 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,0,0,0,0,0|2,0,2]=4 68 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,0,0,0,0,0|2,0,2]=4 69 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,0,0,0,0,0|2,0,2]=4 70 B11R0.4 CCCC(=O)CNCCOCC 2230a_102516460346_100000747444 [0,0,0,0,0,0|3,0,1]=4 71 B11R0.4 CCCC(=O)CNCCSCC 2230a_100000106463_100000747444 [0,0,0,0,0,0|3,0,1]=4 72 B11R0.4 CCCC(=O)COCCOCC 7a_100000210136_100000747444 [0,0,0,0,0,0|3,0,1]=4 73 B11R0.4 CCCC(=O)COCCSCC 7a_100000212035_100000747444 [0,0,0,0,0,0|3,0,1]=4 74 B11R0.4 CCCC(=O)CSCCOCC 62a_100000210147_100000747444 [0,0,0,0,0,0|3,0,1]=4 75 B11R0.4 CCCC(=O)CSCCOCC 62a_100000747444_100011215890 [0,0,0,0,0,0|3,0,1]=4 76 B11R0.4 CCCC(=O)CSCCSCC 62a_100000747444_100000757381 [0,0,0,0,0,0|3,0,1]=4 77 B11R0.4 CCCC(=O)CSCCSCC 62a_100000757381_100000747444 [0,0,0,0,0,0|3,0,1]=4 78 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [0,0,0,0,0,0|2,0,2]=4 79 B11R0.4 CCCC(=O)NCCCOCC 11a_100000210961_100000211992 [0,0,0,0,0,0|2,0,1]=3 80 B11R0.4 CCCC(=O)NCCCOCC 1626a_100000210961_100000211992 [0,0,0,0,0,0|2,0,1]=3 81 B11R0.4 CCCC(=O)NCCCOCC 240690a_100000210961_100000211992 [0,0,0,0,0,0|2,0,1]=3 82 B11R0.4 CCCC(=O)NCCCOCC 527a_100000210961_100000211992 [0,0,0,0,0,0|2,0,1]=3 83 B11R0.4 CCCC(=O)NCCOCCO 240690a_100000211614_100000211992 [0,0,0,0,0,0|3,0,1]=4 84 B11R0.4 CCCC(=O)NCCSCCO 240690a_100011219999_100000211992 [0,0,0,0,0,0|3,0,1]=4 85 B11R0.4 CCCC(=O)NCCSCCO 527a_100011219999_100000211992 [0,0,0,0,0,0|3,0,1]=4 86 B11R0.4 CCCC(=O)NNCCOCC 22a_100000732670_100000211992 [0,0,0,0,0,0|3,0,1]=4 87 B11R0.4 CCCC(=O)OCNCCCF 2230a_100015189416_100000034017 [0,0,0,0,0,0|2,0,2]=4 88 B11R0.4 CCCC(=O)OCNCCCF 34a_100015189416_100000034017 [0,0,0,0,0,0|2,0,2]=4 89 B11R0.4 CCCC(=O)OCNCCOC 2230a_100000209980_100000034017 [0,0,0,0,0,0|2,0,2]=4 90 B11R0.4 CCCC(=O)OCNCCSC 2230a_100020590264_100000034017 [0,0,0,0,0,0|2,0,2]=4 91 B11R0.4 CCCC(=O)OCOCCCBr 34a_100011217188_100000034017 [0,0,0,0,0,0|2,0,2]=4 92 B11R0.4 CCCC(=O)OCOCCCCl 34a_100000230001_100000034017 [0,0,0,0,0,0|2,0,2]=4 93 B11R0.4 CCCC(=O)OCOCCCF 34a_100000759539_100000034017 [0,0,0,0,0,0|2,0,2]=4 94 B11R0.4 CCCC(=O)OCOCCCN 34a_100000182051_100000034017 [0,0,0,0,0,0|2,0,2]=4 95 B11R0.4 CCCC(=O)OCOCCOC 34a_100000210237_100000034017 [0,0,0,0,0,0|2,0,2]=4 96 B11R0.4 CCCC(=O)OCOCCSC 34a_100000230434_100000034017 [0,0,0,0,0,0|2,0,2]=4 97 B11R0.4 CCCC(=O)OCSCCCF 62a_100011934791_100000034017 [0,0,0,0,0,0|2,0,2]=4 98 B11R0.4 CCCC(=O)OCSCCCO 62a_100011215043_100000034017 [0,0,0,0,0,0|2,0,2]=4 99 B11R0.4 CCCC(=O)OCSCCOC 62a_100000233755_100000034017 [0,0,0,0,0,0|2,0,2]=4 100 B11R0.4 CCCC(=O)OCSCCSC 62a_100000212216_100000034017 [0,0,0,0,0,0|2,0,2]=4 101 B11R0.4 CCCC(=O)OCSCOCC 62a_100000739092_100000034017 [0,0,0,0,0,0|2,0,1]=3 102 B11R0.4 CCCC(C)OCCCOCC 34a_100000757476_100000766640 [0,0,0,0,0,0|2,0,2]=4 103 B11R0.4 CCCC(C)OCCCOCC 34a_100000764384_100012232248 [0,0,0,0,0,0|2,0,2]=4 104 B11R0.4 CCCC(C)OCCCOCC 7a_100000757476_100000766640 [0,0,0,0,0,0|2,0,2]=4 105 B11R0.4 CCCC(C)OCCCOCC 7a_100000764384_100012232248 [0,0,0,0,0,0|2,0,2]=4 106 B11R0.4 CCCC(C)OCCCSCC 34a_100011216438_100000766640 [0,0,0,0,0,0|2,0,2]=4 107 B11R0.4 CCCC(C)OCCCSCC 7a_100011216438_100000766640 [0,0,0,0,0,0|2,0,2]=4 108 B11R0.4 CCCCCC#CC(=O)CCC 1458a_100011215388_100000210303 [0,0,0,0,0,0|1,0,3]=4 109 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [0,0,0,0,0,0|1,0,3]=4 110 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,0,0,0,0,0|1,0,2]=3 111 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,0,0,0,0,0|1,0,2]=3 112 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,0,0,0,0,0|2,0,2]=4 113 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,0,0,0,0,0|2,0,2]=4 114 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,0,0,0,0,0|2,0,2]=4 115 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,0,0,0,0,0|2,0,2]=4 116 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,0,0,0,0,0|2,0,2]=4 117 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,0,0,0,0,0|2,0,2]=4 118 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,0,0,0,0,0|2,0,2]=4 119 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,0,0,0,0,0|2,0,2]=4 120 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,0,0,0,0,0|1,0,2]=3 121 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,0,0,0,0,0|1,0,2]=3 122 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,0,0,0,0,0|1,0,2]=3 123 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,0,0,0,0,0|1,0,2]=3 124 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,0,0,0,0,0|2,0,2]=4 125 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [0,0,0,0,0,0|2,0,2]=4 126 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [0,0,0,0,0,0|2,0,2]=4 127 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [0,0,0,0,0,0|2,0,2]=4 128 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [0,0,0,0,0,0|2,0,2]=4 129 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [0,0,0,0,0,0|2,0,2]=4 130 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [0,0,0,0,0,0|2,0,2]=4 131 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [0,0,0,0,0,0|2,0,2]=4 132 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [0,0,0,0,0,0|2,0,2]=4 133 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [0,0,0,0,0,0|2,0,2]=4 134 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [0,0,0,0,0,0|2,0,2]=4 135 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [0,0,0,0,0,0|2,0,2]=4 136 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [0,0,0,0,0,0|2,0,2]=4 137 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [0,0,0,0,0,0|2,0,2]=4 138 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [0,0,0,0,0,0|2,0,2]=4 139 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [0,0,0,0,0,0|2,0,2]=4 140 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [0,0,0,0,0,0|2,0,2]=4 141 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [0,0,0,0,0,0|2,0,2]=4 142 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [0,0,0,0,0,0|2,0,2]=4 143 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [0,0,0,0,0,0|2,0,2]=4 144 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [0,0,0,0,0,0|2,0,2]=4 145 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [0,0,0,0,0,0|1,0,3]=4 146 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [0,0,0,0,0,0|1,0,3]=4 147 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [0,0,0,0,0,0|1,0,3]=4 148 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [0,0,0,0,0,0|1,0,3]=4 149 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [0,0,0,0,0,0|2,0,2]=4 150 B11R0.4 CCCCCNNC(=O)CCC 22a_100000694160_100000211992 [0,0,0,0,0,0|2,0,2]=4 151 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [0,0,0,0,0,0|2,0,2]=4 152 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [0,0,0,0,0,0|2,0,2]=4 153 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [0,0,0,0,0,0|2,0,2]=4 154 B11R0.4 CCCCNCOC(=O)CCC 2230a_100000102301_100000034017 [0,0,0,0,0,0|1,0,2]=3 155 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [0,0,0,0,0,0|2,0,2]=4 156 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [0,0,0,0,0,0|1,0,2]=3 157 B11R0.4 CCCCSCOC(=O)CCC 62a_100000210211_100000034017 [0,0,0,0,0,0|1,0,2]=3 158 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [0,0,0,0,0,0|2,0,2]=4 159 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [0,0,0,0,0,0|3,0,1]=4 160 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [0,0,0,0,0,0|3,0,1]=4 161 B11R0.4 CCCOCCNC(=O)CCC 1626a_100161115042_100000211992 [0,0,0,0,0,0|2,0,1]=3 162 B11R0.4 CCCOCCNC(=O)CCC 240690a_100161115042_100000211992 [0,0,0,0,0,0|2,0,1]=3 163 B11R0.4 CCCOCCNC(=O)CCC 527a_100161115042_100000211992 [0,0,0,0,0,0|2,0,1]=3 164 B11R0.4 CCCOCCNC(=O)CCO 240690a_100161115042_100011216618 [0,0,0,0,0,0|3,0,1]=4 165 B11R0.4 CCCOCCNC(=O)COC 1626a_100161115042_100000210968 [0,0,0,0,0,0|3,0,1]=4 166 B11R0.4 CCCOCCNC(=O)COC 240690a_100161115042_100000210968 [0,0,0,0,0,0|3,0,1]=4 167 B11R0.4 CCCOCCNC(=O)COC 527a_100161115042_100000210968 [0,0,0,0,0,0|3,0,1]=4 168 B11R0.4 CCCOCCNC(=O)CSC 1626a_100161115042_100000184570 [0,0,0,0,0,0|3,0,1]=4 169 B11R0.4 CCCOCCNC(=O)CSC 240690a_100161115042_100000184570 [0,0,0,0,0,0|3,0,1]=4 170 B11R0.4 CCCOCCNC(=O)CSC 527a_100161115042_100000184570 [0,0,0,0,0,0|3,0,1]=4 171 B11R0.4 CCCOCCNC(=O)NCC 2708a_100015525214_100161115042 [0,0,0,0,0,0|3,0,1]=4 172 B11R0.4 CCCOCCNC(=O)NCC 2708a_100161115042_100015525214 [0,0,0,0,0,0|3,0,1]=4 173 B11R0.4 CCCOCCNC(=O)NCC 273464a_100015525214_100161115042 [0,0,0,0,0,0|3,0,1]=4 174 B11R0.4 CCCOCCNC(=O)NCC 273464a_100161115042_100015525214 [0,0,0,0,0,0|3,0,1]=4 175 B11R0.4 CCCOCCNC(=O)NCC 512a_100015525214_100161115042 [0,0,0,0,0,0|3,0,1]=4 176 B11R0.4 CCCOCCNC(=O)NCC 512a_100161115042_100015525214 [0,0,0,0,0,0|3,0,1]=4 177 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [0,0,0,0,0,0|3,0,1]=4 178 B11R0.4 CCCOCCOC(C)CCC 34a_100000752267_100000766640 [0,0,0,0,0,0|2,0,2]=4 179 B11R0.4 CCCOCCOC(C)CCC 34a_100000764384_100011215938 [0,0,0,0,0,0|2,0,2]=4 180 B11R0.4 CCCOCCOC(C)CCC 7a_100000752267_100000766640 [0,0,0,0,0,0|2,0,2]=4 181 B11R0.4 CCCOCCOC(C)CCC 7a_100000764384_100011215938 [0,0,0,0,0,0|2,0,2]=4 182 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [0,0,0,0,0,0|3,0,1]=4 183 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [0,0,0,0,0,0|3,0,1]=4 184 B11R0.4 CCCSCCNC(=O)CCC 11a_100020603323_100000211992 [0,0,0,0,0,0|2,0,1]=3 185 B11R0.4 CCCSCCNC(=O)CCC 240690a_100020603323_100000211992 [0,0,0,0,0,0|2,0,1]=3 186 B11R0.4 CCCSCCNC(=O)CCC 527a_100020603323_100000211992 [0,0,0,0,0,0|2,0,1]=3 187 B11R0.4 CCCSCCNC(=O)CCO 240690a_100020603323_100011216618 [0,0,0,0,0,0|3,0,1]=4 188 B11R0.4 CCCSCCNC(=O)COC 11a_100020603323_100000210968 [0,0,0,0,0,0|3,0,1]=4 189 B11R0.4 CCCSCCNC(=O)COC 240690a_100020603323_100000210968 [0,0,0,0,0,0|3,0,1]=4 190 B11R0.4 CCCSCCNC(=O)COC 527a_100020603323_100000210968 [0,0,0,0,0,0|3,0,1]=4 191 B11R0.4 CCCSCCNC(=O)CSC 11a_100020603323_100000184570 [0,0,0,0,0,0|3,0,1]=4 192 B11R0.4 CCCSCCNC(=O)CSC 240690a_100020603323_100000184570 [0,0,0,0,0,0|3,0,1]=4 193 B11R0.4 CCCSCCNC(=O)CSC 527a_100020603323_100000184570 [0,0,0,0,0,0|3,0,1]=4 194 B11R0.4 CCCSCCNC(=O)NCC 2708a_100015525214_100020603323 [0,0,0,0,0,0|3,0,1]=4 195 B11R0.4 CCCSCCNC(=O)NCC 2708a_100020603323_100015525214 [0,0,0,0,0,0|3,0,1]=4 196 B11R0.4 CCCSCCNC(=O)NCC 273464a_100015525214_100020603323 [0,0,0,0,0,0|3,0,1]=4 197 B11R0.4 CCCSCCNC(=O)NCC 273464a_100020603323_100015525214 [0,0,0,0,0,0|3,0,1]=4 198 B11R0.4 CCCSCCNC(=O)NCC 512a_100015525214_100020603323 [0,0,0,0,0,0|3,0,1]=4 199 B11R0.4 CCCSCCNC(=O)NCC 512a_100020603323_100015525214 [0,0,0,0,0,0|3,0,1]=4 200 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [0,0,0,0,0,0|3,0,1]=4 201 B11R0.4 CCCSCCOC(C)CCC 34a_200000230433_100000766640 [0,0,0,0,0,0|2,0,2]=4 202 B11R0.4 CCCSCCOC(C)CCC 7a_200000230433_100000766640 [0,0,0,0,0,0|2,0,2]=4 203 B11R0.4 CCNC(=O)NCCCOCC 2708a_100000210961_100015525214 [0,0,0,0,0,0|3,0,1]=4 204 B11R0.4 CCNC(=O)NCCCOCC 2708a_100015525214_100000210961 [0,0,0,0,0,0|3,0,1]=4 205 B11R0.4 CCNC(=O)NCCCOCC 273464a_100000210961_100015525214 [0,0,0,0,0,0|3,0,1]=4 206 B11R0.4 CCNC(=O)NCCCOCC 273464a_100015525214_100000210961 [0,0,0,0,0,0|3,0,1]=4 207 B11R0.4 CCNC(=O)NCCCOCC 512a_100000210961_100015525214 [0,0,0,0,0,0|3,0,1]=4 208 B11R0.4 CCNC(=O)NCCCOCC 512a_100015525214_100000210961 [0,0,0,0,0,0|3,0,1]=4 209 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [0,0,0,0,0,0|3,0,1]=4 210 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [0,0,0,0,0,0|3,0,1]=4 211 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [0,0,0,0,0,0|3,0,1]=4 212 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [0,0,0,0,0,0|3,0,1]=4 213 B11R0.4 CCOCCCNC(=O)CCO 240690a_100000210961_100011216618 [0,0,0,0,0,0|3,0,1]=4 214 B11R0.4 CCOCCCNC(=O)COC 11a_100000210961_100000210968 [0,0,0,0,0,0|3,0,1]=4 215 B11R0.4 CCOCCCNC(=O)COC 1626a_100000210961_100000210968 [0,0,0,0,0,0|3,0,1]=4 216 B11R0.4 CCOCCCNC(=O)COC 240690a_100000210961_100000210968 [0,0,0,0,0,0|3,0,1]=4 217 B11R0.4 CCOCCCNC(=O)COC 527a_100000210961_100000210968 [0,0,0,0,0,0|3,0,1]=4 218 B11R0.4 CCOCCCNC(=O)CSC 11a_100000210961_100000184570 [0,0,0,0,0,0|3,0,1]=4 219 B11R0.4 CCOCCCNC(=O)CSC 1626a_100000210961_100000184570 [0,0,0,0,0,0|3,0,1]=4 220 B11R0.4 CCOCCCNC(=O)CSC 240690a_100000210961_100000184570 [0,0,0,0,0,0|3,0,1]=4 221 B11R0.4 CCOCCCNC(=O)CSC 527a_100000210961_100000184570 [0,0,0,0,0,0|3,0,1]=4 222 B11R0.4 CCOCSCOC(=O)OCC 62a_100000739092_100000075025 [0,0,0,0,0,0|3,0,1]=4 223 B10R0.1 C#CCC(=O)CC/C=C\CC 1458a_100011220946_100015370543 [1,0,0,0,0,0|0,0,2]=3 224 B10R0.1 C/C=C/CCOC(C)CCC 34a_100016278192_100000766640 [1,0,0,0,0,0|1,0,1]=3 225 B10R0.1 C/C=C/CCOC(C)CCO 34a_100016278192_100009893172 [1,0,0,0,0,0|2,0,1]=4 226 B10R0.1 C/C=C/CCOC(C)COC 34a_100016278192_100000765312 [1,0,0,0,0,0|2,0,1]=4 227 B10R0.1 C/C=C/COCC(=O)NCC 34a_100016270725_100000183381 [1,0,0,0,0,0|3,0,0]=4 228 B10R0.1 C/C=C/COCC(=O)OCC 34a_100016270725_100000188475 [1,0,0,0,0,0|3,0,0]=4 229 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100000747444_100102629194 [1,0,0,0,0,0|2,0,0]=3 230 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100102629194_100000747444 [1,0,0,0,0,0|2,0,0]=3 231 B10R0.1 C/C=C/CSCC(=O)NCC 62a_100000183381_100102629194 [1,0,0,0,0,0|3,0,0]=4 232 B10R0.1 C/C=C/CSCC(=O)NCC 62a_100102629194_100000183381 [1,0,0,0,0,0|3,0,0]=4 233 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100000188475_100102629194 [1,0,0,0,0,0|3,0,0]=4 234 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100102629194_100000188475 [1,0,0,0,0,0|3,0,0]=4 235 B10R0.1 C=CCC(=O)CC/C=C\CC 1458a_100000210193_100015370543 [1,0,0,0,0,0|0,0,2]=3 236 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [1,0,0,0,0,0|1,0,2]=4 237 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [1,0,0,0,0,0|1,0,2]=4 238 B10R0.1 C=CCCCNC(=O)CCC 11a_100000700776_100000211992 [1,0,0,0,0,0|1,0,2]=4 239 B10R0.1 C=CCCCNC(=O)CCC 1626a_100000700776_100000211992 [1,0,0,0,0,0|1,0,2]=4 240 B10R0.1 C=CCCCNC(=O)CCC 240690a_100000700776_100000211992 [1,0,0,0,0,0|1,0,2]=4 241 B10R0.1 C=CCCCNC(=O)CCC 527a_100000700776_100000211992 [1,0,0,0,0,0|1,0,2]=4 242 B10R0.1 C=CCNCOC(=O)CCC 2230a_100020586998_100000034017 [1,0,0,0,0,0|1,0,2]=4 243 B10R0.1 C=CCOCOC(=O)CCC 34a_200000210373_100000034017 [1,0,0,0,0,0|1,0,2]=4 244 B10R0.1 C=CCSCOC(=O)CCC 62a_100000210623_100000034017 [1,0,0,0,0,0|1,0,2]=4 245 B10R0.1 CC#CC(=O)CC/C=C\CC 1458a_100000763181_100015370543 [1,0,0,0,0,0|0,0,2]=3 246 B10R0.1 CC/C=C\CCC(=O)C=CBr 1458a_100016273825_100015370543 [1,0,0,0,0,0|1,0,2]=4 247 B10R0.1 CC/C=C\CCC(=O)C=CCl 1458a_200016279998_100015370543 [1,0,0,0,0,0|1,0,2]=4 248 B10R0.1 CC/C=C\CCC(=O)C=CI 1458a_100016256311_100015370543 [1,0,0,0,0,0|1,0,2]=4 249 B10R0.1 CC/C=C\CCC(=O)CC#N 1458a_100051588842_100015370543 [1,0,0,0,0,0|1,0,1]=3 250 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [1,0,0,0,0,0|0,0,0]=1 251 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [1,0,0,0,0,0|1,0,0]=2 252 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [1,0,0,0,0,0|1,0,0]=2 253 B10R0.1 CC/C=C\CCC(=O)CSC 1458a_100000184570_100015370543 [1,0,0,0,0,0|1,0,0]=2 254 B10R0.1 CC/C=C\CCN(C)CCC 2230a_100000747261_100015370543 [1,0,0,0,0,0|2,0,0]=3 255 B10R0.1 CC/C=C\CCN(C)CCC 269982a_100000747261_100015370543 [1,0,0,0,0,0|2,0,0]=3 256 B10R0.1 CC/C=C\CCN(C)CCO 2230a_100000210263_100015370543 [1,0,0,0,0,0|3,0,0]=4 257 B10R0.1 CC/C=C\CCN(C)CCO 269982a_100000210263_100015370543 [1,0,0,0,0,0|3,0,0]=4 258 B10R0.1 CC/C=C\CNC(C)CCC 2230a_100000741246_100103147603 [1,0,0,0,0,0|2,0,1]=4 259 B10R0.1 CC/C=C\COC(C)CCBr 34a_100012276601_100103147603 [1,0,0,0,0,0|2,0,1]=4 260 B10R0.1 CC/C=C\COC(C)CCC 34a_100000764384_100103147603 [1,0,0,0,0,0|1,0,1]=3 261 B10R0.1 CC/C=C\COC(C)CCC 34a_100016268518_100000766640 [1,0,0,0,0,0|1,0,1]=3 262 B10R0.1 CC/C=C\COC(C)CCC 7a_100000764384_100103147603 [1,0,0,0,0,0|1,0,1]=3 263 B10R0.1 CC/C=C\COC(C)CCO 34a_100016268518_100009893172 [1,0,0,0,0,0|2,0,1]=4 264 B10R0.1 CC/C=C\COC(C)COC 34a_100016268518_100000765312 [1,0,0,0,0,0|2,0,1]=4 265 B10R0.1 CC/C=C\CO[C@H](C)COC 34a_100011934205_100103147603 [1,0,0,0,0,0|2,0,1]=4 266 B10R0.1 CC/C=C\CSC(C)CCC 62a_100000766640_100103147603 [1,0,0,0,0,0|1,1,1]=4 267 B10R0.1 CC/C=C\CSC(C)CCC 62a_100103147603_100000766640 [1,0,0,0,0,0|1,1,1]=4 268 B10R0.1 CC=CC(=O)CC/C=C\CC 1458a_100000210699_100015370543 [1,0,0,0,0,0|0,0,2]=3 269 B10R0.1 CC=CCNCC(=O)NCC 2230a_100016988866_100000070051 [1,0,0,0,0,0|3,0,0]=4 270 B10R0.1 CC=CCSCC(=O)CCC 62a_100000070051_100000747444 [1,0,0,0,0,0|2,0,0]=3 271 B10R0.1 CC=CCSCC(=O)CCC 62a_100000747444_100000070051 [1,0,0,0,0,0|2,0,0]=3 272 B10R0.1 CC=CCSCC(=O)NCC 62a_100000070051_100000183381 [1,0,0,0,0,0|3,0,0]=4 273 B10R0.1 CC=CCSCC(=O)NCC 62a_100000183381_100000070051 [1,0,0,0,0,0|3,0,0]=4 274 B10R0.1 CC=CCSCC(=O)OCC 62a_100000070051_100000188475 [1,0,0,0,0,0|3,0,0]=4 275 B10R0.1 CC=CCSCC(=O)OCC 62a_100000188475_100000070051 [1,0,0,0,0,0|3,0,0]=4 276 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [1,0,0,0,0,0|0,0,2]=3 277 B10R0.1 CCC/C=C/CC(=O)CCF 1458a_200016266809_100011217306 [1,0,0,0,0,0|1,0,2]=4 278 B10R0.1 CCC/C=C/CC(=O)CCO 1458a_200016266809_100000211926 [1,0,0,0,0,0|1,0,2]=4 279 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [1,0,0,0,0,0|1,0,2]=4 280 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [1,0,0,0,0,0|1,0,2]=4 281 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [1,0,0,0,0,0|1,0,2]=4 282 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [1,0,0,0,0,0|1,0,2]=4 283 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [1,0,0,0,0,0|1,0,2]=4 284 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [1,0,0,0,0,0|1,0,2]=4 285 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [1,0,0,0,0,0|1,0,2]=4 286 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [1,0,0,0,0,0|1,0,1]=3 287 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [1,0,0,0,0,0|2,0,1]=4 288 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [1,0,0,0,0,0|2,0,1]=4 289 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [1,0,0,0,0,0|2,0,1]=4 290 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [1,0,0,0,0,0|2,0,1]=4 291 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [1,0,0,0,0,0|2,0,1]=4 292 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [1,0,0,0,0,0|2,0,1]=4 293 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [1,0,0,0,0,0|2,0,1]=4 294 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [1,0,0,0,0,0|2,0,1]=4 295 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [1,0,0,0,0,0|2,0,1]=4 296 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [1,0,0,0,0,0|2,0,1]=4 297 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [1,0,0,0,0,0|2,0,1]=4 298 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [1,0,0,0,0,0|2,0,1]=4 299 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [1,0,0,0,0,0|2,0,1]=4 300 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [1,0,0,0,0,0|2,0,0]=3 301 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [1,0,0,0,0,0|2,0,0]=3 302 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [1,0,0,0,0,0|2,0,0]=3 303 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [1,0,0,0,0,0|2,0,0]=3 304 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [1,0,0,0,0,0|2,0,0]=3 305 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [1,0,0,0,0,0|2,0,0]=3 306 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [1,0,0,0,0,0|2,0,0]=3 307 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [1,0,0,0,0,0|2,0,0]=3 308 B10R0.1 CCCC(=O)OCNCCF 34a_100000724931_100000034017 [1,0,0,0,0,0|2,0,1]=4 309 B10R0.1 CCCC(=O)OCNCCO 2230a_100016997473_100000034017 [1,0,0,0,0,0|2,0,1]=4 310 B10R0.1 CCCC(=O)OCNCCO 34a_100016990907_100000034017 [1,0,0,0,0,0|2,0,1]=4 311 B10R0.1 CCCC(=O)OCOCCBr 34a_100000211926_100000034017 [1,0,0,0,0,0|2,0,1]=4 312 B10R0.1 CCCC(=O)OCOCCN 34a_100000210304_100000034017 [1,0,0,0,0,0|2,0,1]=4 313 B10R0.1 CCCC(=O)OCSCC=O 62a_200015260668_100000034017 [1,0,0,0,0,0|2,0,1]=4 314 B10R0.1 CCCC(=O)OCSCCF 62a_100011217306_100000034017 [1,0,0,0,0,0|2,0,1]=4 315 B10R0.1 CCCC(=O)OCSCCO 62a_100000211926_100000034017 [1,0,0,0,0,0|2,0,1]=4 316 B10R0.1 CCCC(=O)OCSCOC 62a_100000766300_100000034017 [1,0,0,0,0,0|2,0,1]=4 317 B10R0.1 CCCC(=O)OCSCSC 62a_100011218213_100000034017 [1,0,0,0,0,0|2,0,1]=4 318 B10R0.1 CCCC(C)OCCOCC 34a_100000210136_100000766640 [1,0,0,0,0,0|2,0,1]=4 319 B10R0.1 CCCC(C)OCCOCC 34a_100000764384_100000210147 [1,0,0,0,0,0|2,0,1]=4 320 B10R0.1 CCCC(C)OCCOCC 7a_100000210136_100000766640 [1,0,0,0,0,0|2,0,1]=4 321 B10R0.1 CCCC(C)OCCOCC 7a_100000764384_100011215890 [1,0,0,0,0,0|2,0,1]=4 322 B10R0.1 CCCC(C)OCCSCC 34a_100000212035_100000766640 [1,0,0,0,0,0|2,0,1]=4 323 B10R0.1 CCCC(C)OCCSCC 34a_100000764384_100000757381 [1,0,0,0,0,0|2,0,1]=4 324 B10R0.1 CCCC(C)OCCSCC 7a_100000212035_100000766640 [1,0,0,0,0,0|2,0,1]=4 325 B10R0.1 CCCC(C)OCCSCC 7a_100000764384_100000757381 [1,0,0,0,0,0|2,0,1]=4 326 B10R0.1 CCCC=NNC(=O)CCC 4a_100000189770_100000185831 [1,0,0,0,0,0|2,0,1]=4 327 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [1,0,0,0,0,0|1,0,2]=4 328 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [1,0,0,0,0,0|0,0,2]=3 329 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [1,0,0,0,0,0|0,0,2]=3 330 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [1,0,0,0,0,0|1,0,2]=4 331 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [1,0,0,0,0,0|1,0,2]=4 332 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [1,0,0,0,0,0|1,0,2]=4 333 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [1,0,0,0,0,0|1,0,2]=4 334 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [1,0,0,0,0,0|1,0,2]=4 335 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [1,0,0,0,0,0|1,0,2]=4 336 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [1,0,0,0,0,0|1,0,2]=4 337 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [1,0,0,0,0,0|1,0,2]=4 338 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [1,0,0,0,0,0|1,0,1]=3 339 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [1,0,0,0,0,0|1,0,1]=3 340 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [1,0,0,0,0,0|1,0,1]=3 341 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [1,0,0,0,0,0|1,0,1]=3 342 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [1,0,0,0,0,0|2,0,1]=4 343 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [1,0,0,0,0,0|2,0,1]=4 344 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [1,0,0,0,0,0|2,0,1]=4 345 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [1,0,0,0,0,0|2,0,1]=4 346 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [1,0,0,0,0,0|2,0,1]=4 347 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [1,0,0,0,0,0|2,0,1]=4 348 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [1,0,0,0,0,0|2,0,1]=4 349 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [1,0,0,0,0,0|2,0,1]=4 350 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [1,0,0,0,0,0|2,0,1]=4 351 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [1,0,0,0,0,0|2,0,1]=4 352 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [1,0,0,0,0,0|2,0,1]=4 353 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [1,0,0,0,0,0|2,0,1]=4 354 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [1,0,0,0,0,0|2,0,1]=4 355 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [1,0,0,0,0,0|2,0,1]=4 356 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [1,0,0,0,0,0|2,0,1]=4 357 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [1,0,0,0,0,0|2,0,1]=4 358 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [1,0,0,0,0,0|2,0,1]=4 359 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [1,0,0,0,0,0|2,0,1]=4 360 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [1,0,0,0,0,0|2,0,1]=4 361 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [1,0,0,0,0,0|2,0,1]=4 362 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [1,0,0,0,0,0|2,0,1]=4 363 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [1,0,0,0,0,0|2,0,1]=4 364 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [1,0,0,0,0,0|2,0,1]=4 365 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [1,0,0,0,0,0|1,0,2]=4 366 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [1,0,0,0,0,0|1,0,2]=4 367 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [1,0,0,0,0,0|1,0,2]=4 368 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [1,0,0,0,0,0|1,0,2]=4 369 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [1,0,0,0,0,0|1,0,2]=4 370 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [1,0,0,0,0,0|1,0,2]=4 371 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [1,0,0,0,0,0|2,0,1]=4 372 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [1,0,0,0,0,0|1,0,2]=4 373 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [1,0,0,0,0,0|1,0,2]=4 374 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [1,0,0,0,0,0|1,0,2]=4 375 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [1,0,0,0,0,0|1,0,2]=4 376 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [1,0,0,0,0,0|1,0,2]=4 377 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [1,0,0,0,0,0|1,0,2]=4 378 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [1,0,0,0,0,0|2,0,1]=4 379 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [1,0,0,0,0,0|1,0,1]=3 380 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [1,0,0,0,0,0|2,0,1]=4 381 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [1,0,0,0,0,0|2,0,1]=4 382 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [1,0,0,0,0,0|2,0,1]=4 383 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [1,0,0,0,0,0|2,0,1]=4 384 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [1,0,0,0,0,0|1,0,1]=3 385 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [1,0,0,0,0,0|2,0,1]=4 386 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [1,0,0,0,0,0|2,0,1]=4 387 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [1,0,0,0,0,0|2,0,1]=4 388 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [1,0,0,0,0,0|2,0,1]=4 389 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [1,0,0,0,0,0|1,0,1]=3 390 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [1,0,0,0,0,0|2,0,1]=4 391 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [1,0,0,0,0,0|3,0,0]=4 392 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [1,0,0,0,0,0|3,0,0]=4 393 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [1,0,0,0,0,0|3,0,0]=4 394 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [1,0,0,0,0,0|3,0,0]=4 395 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [1,0,0,0,0,0|3,0,0]=4 396 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [1,0,0,0,0,0|3,0,0]=4 397 B10R0.1 CCNC(=O)NCCSCC 2708a_100000106463_100015525214 [1,0,0,0,0,0|3,0,0]=4 398 B10R0.1 CCNC(=O)NCCSCC 2708a_100015525214_100000106463 [1,0,0,0,0,0|3,0,0]=4 399 B10R0.1 CCNC(=O)NCCSCC 273464a_100000106463_100015525214 [1,0,0,0,0,0|3,0,0]=4 400 B10R0.1 CCNC(=O)NCCSCC 273464a_100015525214_100000106463 [1,0,0,0,0,0|3,0,0]=4 401 B10R0.1 CCNC(=O)NCCSCC 512a_100000106463_100015525214 [1,0,0,0,0,0|3,0,0]=4 402 B10R0.1 CCNC(=O)NCCSCC 512a_100015525214_100000106463 [1,0,0,0,0,0|3,0,0]=4 403 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [1,0,0,0,0,0|2,0,1]=4 404 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [1,0,0,0,0,0|2,0,1]=4 405 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [1,0,0,0,0,0|2,0,1]=4 406 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [1,0,0,0,0,0|3,0,0]=4 407 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [1,0,0,0,0,0|2,0,1]=4 408 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [1,0,0,0,0,0|2,0,1]=4 409 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [1,0,0,0,0,0|2,0,1]=4 410 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [1,0,0,0,0,0|2,0,1]=4 411 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [1,0,0,0,0,0|2,0,1]=4 412 B10R0.1 CCOCCNC(=O)CCO 240690a_100011200944_100011216618 [1,0,0,0,0,0|3,0,0]=4 413 B10R0.1 CCOCCNC(=O)COC 11a_100011200944_100000210968 [1,0,0,0,0,0|3,0,0]=4 414 B10R0.1 CCOCCNC(=O)COC 1626a_102516460346_100000210968 [1,0,0,0,0,0|3,0,0]=4 415 B10R0.1 CCOCCNC(=O)COC 240690a_100011200944_100000210968 [1,0,0,0,0,0|3,0,0]=4 416 B10R0.1 CCOCCNC(=O)COC 527a_100011200944_100000210968 [1,0,0,0,0,0|3,0,0]=4 417 B10R0.1 CCOCCNC(=O)CSC 11a_100011200944_100000184570 [1,0,0,0,0,0|3,0,0]=4 418 B10R0.1 CCOCCNC(=O)CSC 1626a_102516460346_100000184570 [1,0,0,0,0,0|3,0,0]=4 419 B10R0.1 CCOCCNC(=O)CSC 240690a_100011200944_100000184570 [1,0,0,0,0,0|3,0,0]=4 420 B10R0.1 CCOCCNC(=O)CSC 527a_100011200944_100000184570 [1,0,0,0,0,0|3,0,0]=4 421 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [1,0,0,0,0,0|3,0,0]=4 422 B10R0.1 CCOCCOC(=O)CNC 2230a_106832991635_200000101388 [1,0,0,0,0,0|2,0,0]=3 423 B10R0.1 CCOCCOC(=O)CNC 34a_100102657272_200000101388 [1,0,0,0,0,0|2,0,0]=3 424 B10R0.1 CCOCCOC(=O)CNC 7a_106832991635_200000101388 [1,0,0,0,0,0|2,0,0]=3 425 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [1,0,0,0,0,0|2,0,0]=3 426 B10R0.1 CCOCCOC(=O)CSC 62a_200000101388_200000210301 [1,0,0,0,0,0|2,0,0]=3 427 B10R0.1 CCOCCOC(=O)CSC 62a_200000210301_200000101388 [1,0,0,0,0,0|2,0,0]=3 428 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200000101388_200025704644 [1,0,0,0,0,0|2,0,0]=3 429 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200025704644_200000101388 [1,0,0,0,0,0|2,0,0]=3 430 B10R0.1 CCSCCNC(=O)CCO 240690a_100000106463_100011216618 [1,0,0,0,0,0|3,0,0]=4 431 B10R0.1 CCSCCNC(=O)COC 11a_100000106463_100000210968 [1,0,0,0,0,0|3,0,0]=4 432 B10R0.1 CCSCCNC(=O)COC 1626a_100000106463_100000210968 [1,0,0,0,0,0|3,0,0]=4 433 B10R0.1 CCSCCNC(=O)COC 240690a_100000106463_100000210968 [1,0,0,0,0,0|3,0,0]=4 434 B10R0.1 CCSCCNC(=O)COC 527a_100000106463_100000210968 [1,0,0,0,0,0|3,0,0]=4 435 B10R0.1 CCSCCNC(=O)CSC 11a_100000106463_100000184570 [1,0,0,0,0,0|3,0,0]=4 436 B10R0.1 CCSCCNC(=O)CSC 1626a_100000106463_100000184570 [1,0,0,0,0,0|3,0,0]=4 437 B10R0.1 CCSCCNC(=O)CSC 240690a_100000106463_100000184570 [1,0,0,0,0,0|3,0,0]=4 438 B10R0.1 CCSCCNC(=O)CSC 527a_100000106463_100000184570 [1,0,0,0,0,0|3,0,0]=4 439 B10R0.71 C#CCCOCC/C=C\CC 34a_100011215631_100015370543 [1,0,0,0,0,0|0,0,3]=4 440 B10R0.71 C#CCCOCC/C=C\CC 34a_100016288707_100000688953 [1,0,0,0,0,0|0,0,3]=4 441 B10R0.71 C#CCCOCC/C=C\CC 7a_100016288707_100000688953 [1,0,0,0,0,0|0,0,3]=4 442 B10R0.71 C/C=C/C=C/COCCCC 34a_100016283227_100000210210 [1,0,0,0,0,0|0,0,3]=4 443 B10R0.71 C/C=C/COCC/C=C\CC 34a_100016270725_100015370543 [1,0,0,0,0,0|0,0,3]=4 444 B10R0.71 C/C=C/COCC/C=C\CC 34a_100016288707_100102629194 [1,0,0,0,0,0|0,0,3]=4 445 B10R0.71 C/C=C/COCC/C=C\CC 7a_100016288707_100102629194 [1,0,0,0,0,0|0,0,3]=4 446 B10R0.71 C=CCCOCC/C=C\CC 34a_100011205117_100015370543 [1,0,0,0,0,0|0,0,3]=4 447 B10R0.71 C=CCCOCC/C=C\CC 34a_100016288707_100000754431 [1,0,0,0,0,0|0,0,3]=4 448 B10R0.71 C=CCCOCC/C=C\CC 7a_100016288707_100000754431 [1,0,0,0,0,0|0,0,3]=4 449 B10R0.71 CC#CCOCC/C=C\CC 34a_100000761923_100015370543 [1,0,0,0,0,0|0,0,3]=4 450 B10R0.71 CC#CCOCC/C=C\CC 34a_100016288707_100000748600 [1,0,0,0,0,0|0,0,3]=4 451 B10R0.71 CC#CCOCC/C=C\CC 7a_100016288707_100000748600 [1,0,0,0,0,0|0,0,3]=4 452 B10R0.71 CC/C=C/CC/C=C/COC 34a_100016264143_200000210301 [1,0,0,0,0,0|2,0,0]=3 453 B10R0.71 CC/C=C/CC/C=C/COC 7a_100016264143_200000210301 [1,0,0,0,0,0|2,0,0]=3 454 B10R0.71 CC/C=C/CC/C=C/CO[13CH3] 34a_100016264143_200025704644 [1,0,0,0,0,0|2,0,0]=3 455 B10R0.71 CC/C=C/CC/C=C/CO[13CH3] 7a_100016264143_200025704644 [1,0,0,0,0,0|2,0,0]=3 456 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [1,0,0,0,0,0|2,0,0]=3 457 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [1,0,0,0,0,0|2,0,0]=3 458 B10R0.71 CC/C=C/CCCOCCF 34a_100016287902_100011217306 [1,0,0,0,0,0|3,0,0]=4 459 B10R0.71 CC/C=C/CCCOCCF 7a_100016287902_100011217306 [1,0,0,0,0,0|3,0,0]=4 460 B10R0.71 CC/C=C/CCCOCCO 34a_100016287902_100000211926 [1,0,0,0,0,0|3,0,0]=4 461 B10R0.71 CC/C=C/CCCOCCO 7a_100016287902_100000211926 [1,0,0,0,0,0|3,0,0]=4 462 B10R0.71 CC/C=C/CCCOCSC 34a_100016287902_100011218213 [1,0,0,0,0,0|3,0,0]=4 463 B10R0.71 CC/C=C\CCC=NNCC 4a_100000756455_100016279218 [1,0,0,0,0,0|3,0,0]=4 464 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [1,0,0,0,0,0|2,0,1]=4 465 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [1,0,0,0,0,0|2,0,1]=4 466 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [1,0,0,0,0,0|2,0,1]=4 467 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [1,0,0,0,0,0|2,0,1]=4 468 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [1,0,0,0,0,0|2,0,1]=4 469 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [1,0,0,0,0,0|2,0,1]=4 470 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [1,0,0,0,0,0|2,0,1]=4 471 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [1,0,0,0,0,0|1,0,1]=3 472 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [1,0,0,0,0,0|1,0,1]=3 473 B10R0.71 CC/C=C\CCNCCCF 2230a_100015189416_100015370543 [1,0,0,0,0,0|2,0,1]=4 474 B10R0.71 CC/C=C\CCNCCCF 34a_100015189416_100015370543 [1,0,0,0,0,0|2,0,1]=4 475 B10R0.71 CC/C=C\CCNCCOC 2230a_100000209980_100015370543 [1,0,0,0,0,0|2,0,1]=4 476 B10R0.71 CC/C=C\CCNCCSC 2230a_100020590264_100015370543 [1,0,0,0,0,0|2,0,1]=4 477 B10R0.71 CC/C=C\CCOCCC#N 7a_100016288707_100000184422 [1,0,0,0,0,0|1,0,2]=4 478 B10R0.71 CC/C=C\CCOCCCBr 34a_100011217188_100015370543 [1,0,0,0,0,0|1,0,1]=3 479 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [1,0,0,0,0,0|0,0,1]=2 480 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [1,0,0,0,0,0|0,0,1]=2 481 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [1,0,0,0,0,0|0,0,1]=2 482 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [1,0,0,0,0,0|0,0,1]=2 483 B10R0.71 CC/C=C\CCOCCCCl 34a_100000230001_100015370543 [1,0,0,0,0,0|1,0,1]=3 484 B10R0.71 CC/C=C\CCOCCCF 34a_100000759539_100015370543 [1,0,0,0,0,0|1,0,1]=3 485 B10R0.71 CC/C=C\CCOCCCF 34a_100016288707_100011934791 [1,0,0,0,0,0|1,0,1]=3 486 B10R0.71 CC/C=C\CCOCCCF 7a_100016288707_100011934791 [1,0,0,0,0,0|1,0,1]=3 487 B10R0.71 CC/C=C\CCOCCCN 34a_100000182051_100015370543 [1,0,0,0,0,0|1,0,1]=3 488 B10R0.71 CC/C=C\CCOCCCO 34a_100016288707_100000230001 [1,0,0,0,0,0|1,0,1]=3 489 B10R0.71 CC/C=C\CCOCCCO 7a_100016288707_100011215043 [1,0,0,0,0,0|1,0,1]=3 490 B10R0.71 CC/C=C\CCOCCOC 34a_100000210237_100015370543 [1,0,0,0,0,0|1,0,1]=3 491 B10R0.71 CC/C=C\CCOCCOC 34a_100016288707_100011201679 [1,0,0,0,0,0|1,0,1]=3 492 B10R0.71 CC/C=C\CCOCCOC 7a_100016288707_100000233755 [1,0,0,0,0,0|1,0,1]=3 493 B10R0.71 CC/C=C\CCOCCON 34a_100000700252_100015370543 [1,0,0,0,0,0|2,0,1]=4 494 B10R0.71 CC/C=C\CCOCCSC 34a_100000230434_100015370543 [1,0,0,0,0,0|1,0,1]=3 495 B10R0.71 CC/C=C\CCOCCSC 34a_100016288707_100000212216 [1,0,0,0,0,0|1,0,1]=3 496 B10R0.71 CC/C=C\CCOCCSC 7a_100000230434_100015370543 [1,0,0,0,0,0|1,0,1]=3 497 B10R0.71 CC/C=C\CCOCCSC 7a_100016288707_100000212216 [1,0,0,0,0,0|1,0,1]=3 498 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [1,0,0,0,0,0|0,1,1]=3 499 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [1,0,0,0,0,0|0,1,1]=3 500 B10R0.71 CC/C=C\CCSCCCF 62a_100011934791_100015370543 [1,0,0,0,0,0|1,1,1]=4 501 B10R0.71 CC/C=C\CCSCCCF 62a_100015370543_100011934791 [1,0,0,0,0,0|1,1,1]=4 502 B10R0.71 CC/C=C\CCSCCCO 62a_100011215043_100015370543 [1,0,0,0,0,0|1,1,1]=4 503 B10R0.71 CC/C=C\CCSCCCO 62a_100015370543_100011215043 [1,0,0,0,0,0|1,1,1]=4 504 B10R0.71 CC/C=C\CCSCCOC 62a_100000233755_100015370543 [1,0,0,0,0,0|1,1,1]=4 505 B10R0.71 CC/C=C\CCSCCOC 62a_100015370543_100000233755 [1,0,0,0,0,0|1,1,1]=4 506 B10R0.71 CC/C=C\CCSCCSC 62a_100000212216_100015370543 [1,0,0,0,0,0|1,1,1]=4 507 B10R0.71 CC/C=C\CCSCCSC 62a_100015370543_100000751147 [1,0,0,0,0,0|1,1,1]=4 508 B10R0.71 CC/C=C\CCSCOCC 62a_100000739092_100015370543 [1,0,0,0,0,0|1,1,1]=4 509 B10R0.71 CC/C=C\CCSCOCC 62a_100015370543_100000739092 [1,0,0,0,0,0|1,1,1]=4 510 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [1,0,0,0,0,0|2,0,1]=4 511 B10R0.71 CC/C=C\COC/C=C\CC 34a_100016268518_100103147603 [1,0,0,0,0,0|2,0,1]=4 512 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [1,0,0,0,0,0|2,0,1]=4 513 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [1,0,0,0,0,0|2,0,1]=4 514 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [1,0,0,0,0,0|2,0,1]=4 515 B10R0.71 CC/C=C\CSC/C=C\CC 62a_100103147603_100103147603 [1,0,0,0,0,0|2,0,1]=4 516 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [1,0,0,0,0,0|2,0,1]=4 517 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [1,0,0,0,0,0|2,0,1]=4 518 B10R0.71 CC=C=CCCOCCCC 34a_100011020354_100000210210 [1,0,0,0,0,0|0,0,3]=4 519 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [1,0,0,0,0,0|0,0,3]=4 520 B10R0.71 CC=CCOCC/C=C\CC 34a_100016288707_100000070051 [1,0,0,0,0,0|0,0,3]=4 521 B10R0.71 CC=CCOCC/C=C\CC 7a_100016288707_100000070051 [1,0,0,0,0,0|0,0,3]=4 522 B10R0.71 CCC#CCCOCCCC 34a_100000036655_100000210210 [1,0,0,0,0,0|0,0,3]=4 523 B10R0.71 CCC#CCCOCCCC 7a_100000036655_100000210211 [1,0,0,0,0,0|0,0,3]=4 524 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [1,0,0,0,0,0|0,0,3]=4 525 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [1,0,0,0,0,0|0,0,3]=4 526 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,0,0,0,0,0|0,0,3]=4 527 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,0,0,0,0,0|0,0,3]=4 528 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,0,0,0,0,0|0,0,3]=4 529 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,0,0,0,0,0|0,0,3]=4 530 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [1,0,0,0,0,0|1,0,2]=4 531 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [1,0,0,0,0,0|1,0,2]=4 532 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [1,0,0,0,0,0|1,0,2]=4 533 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [1,0,0,0,0,0|1,0,2]=4 534 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [1,0,0,0,0,0|1,0,2]=4 535 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [1,0,0,0,0,0|1,0,2]=4 536 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [1,0,0,0,0,0|1,0,2]=4 537 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [1,0,0,0,0,0|1,0,2]=4 538 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [1,0,0,0,0,0|1,0,2]=4 539 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [1,0,0,0,0,0|1,0,2]=4 540 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [1,0,0,0,0,0|1,0,2]=4 541 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [1,0,0,0,0,0|1,0,2]=4 542 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [1,0,0,0,0,0|1,0,2]=4 543 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [1,0,0,0,0,0|1,0,2]=4 544 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [1,0,0,0,0,0|1,0,2]=4 545 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [1,0,0,0,0,0|1,0,2]=4 546 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [1,0,0,0,0,0|1,0,2]=4 547 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [1,0,0,0,0,0|1,0,2]=4 548 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [1,0,0,0,0,0|1,0,2]=4 549 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [1,0,0,0,0,0|1,0,2]=4 550 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [1,0,0,0,0,0|1,0,2]=4 551 B10R0.74 CC/C=C\CCNC(C)CC 2230a_100000209981_100015370543 [1,0,0,0,0,0|2,0,1]=4 552 B10R0.74 CC/C=C\CCOC(C)CC 34a_100016288707_100011215416 [1,0,0,0,0,0|1,0,1]=3 553 B10R0.74 CC/C=C\CCOC(C)CC 7a_100000210228_100015370543 [1,0,0,0,0,0|1,0,1]=3 554 B10R0.74 CC/C=C\CCOC(C)CC 7a_100016288707_100000758301 [1,0,0,0,0,0|1,0,1]=3 555 B10R0.74 CC/C=C\CCOC(C)CF 34a_100016041109_100015370543 [1,0,0,0,0,0|2,0,1]=4 556 B10R0.74 CC/C=C\CCOC(C)CF 7a_100016041109_100015370543 [1,0,0,0,0,0|2,0,1]=4 557 B10R0.74 CC/C=C\CCOC(C)CN 34a_100000210904_100015370543 [1,0,0,0,0,0|2,0,1]=4 558 B10R0.74 CC/C=C\CCOC(C)CO 34a_100016288707_100012180447 [1,0,0,0,0,0|2,0,1]=4 559 B10R0.74 CC/C=C\CCOC(C)CO 7a_100016288707_100012180447 [1,0,0,0,0,0|2,0,1]=4 560 B10R0.74 CC/C=C\CCSC(C)CC 62a_100000758301_100015370543 [1,0,0,0,0,0|1,1,1]=4 561 B10R0.74 CC/C=C\CCSC(C)CC 62a_100015370543_100000758301 [1,0,0,0,0,0|1,1,1]=4 562 B10R0.74 CC/C=C\CNCC(=O)NC 2230a_100000693194_100103147603 [1,0,0,0,0,0|3,0,0]=4 563 B10R0.74 CC/C=C\COCC(=O)CC 34a_100000725409_100103147603 [1,0,0,0,0,0|2,0,0]=3 564 B10R0.74 CC/C=C\COCC(=O)NC 34a_100000750040_100103147603 [1,0,0,0,0,0|3,0,0]=4 565 B10R0.74 CC/C=C\COCC(=O)NC 34a_100016268518_100000183359 [1,0,0,0,0,0|3,0,0]=4 566 B10R0.74 CC/C=C\COCC(=O)OC 34a_100016268518_100000747449 [1,0,0,0,0,0|3,0,0]=4 567 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100000747405_100103147603 [1,0,0,0,0,0|2,0,0]=3 568 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100103147603_100000747405 [1,0,0,0,0,0|2,0,0]=3 569 B10R0.74 CC/C=C\CSCC(=O)NC 62a_100000183359_100103147603 [1,0,0,0,0,0|3,0,0]=4 570 B10R0.74 CC/C=C\CSCC(=O)NC 62a_100103147603_100000183359 [1,0,0,0,0,0|3,0,0]=4 571 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100000747449_100103147603 [1,0,0,0,0,0|3,0,0]=4 572 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100103147603_100000747449 [1,0,0,0,0,0|3,0,0]=4 573 B10R0.74 CCC(=O)OCCOCCF 7a_200000031056_100011217306 [1,0,0,0,0,0|2,0,1]=4 574 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [1,0,0,0,0,0|2,0,1]=4 575 B10R0.74 CCC=CC=NNC(=O)CC 4a_100000183195_100011216943 [1,0,0,0,0,0|2,0,1]=4 576 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [1,0,0,0,0,0|1,0,2]=4 577 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [1,0,0,0,0,0|1,0,2]=4 578 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [1,0,0,0,0,0|1,0,2]=4 579 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [1,0,0,0,0,0|1,0,2]=4 580 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [1,0,0,0,0,0|1,0,2]=4 581 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [1,0,0,0,0,0|1,0,2]=4 582 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [1,0,0,0,0,0|2,0,1]=4 583 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [1,0,0,0,0,0|2,0,1]=4 584 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [1,0,0,0,0,0|2,0,1]=4 585 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [1,0,0,0,0,0|2,0,1]=4 586 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [1,0,0,0,0,0|2,0,1]=4 587 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [1,0,0,0,0,0|2,0,1]=4 588 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [1,0,0,0,0,0|1,0,1]=3 589 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [1,0,0,0,0,0|2,0,1]=4 590 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [1,0,0,0,0,0|2,0,1]=4 591 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [1,0,0,0,0,0|2,0,1]=4 592 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [1,0,0,0,0,0|2,0,1]=4 593 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [1,0,0,0,0,0|2,0,1]=4 594 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [1,0,0,0,0,0|2,0,1]=4 595 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [1,0,0,0,0,0|2,0,1]=4 596 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [1,0,0,0,0,0|2,0,1]=4 597 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [1,0,0,0,0,0|2,0,1]=4 598 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [1,0,0,0,0,0|2,0,1]=4 599 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [1,0,0,0,0,0|2,0,1]=4 600 B12R0.1 C/C=C/C=C/COCC(=O)NCC 34a_100016283227_100000183381 [0,1,0,0,0,0|1,0,2]=4 601 B12R0.1 C/C=C/C=C/COCC(=O)OCC 34a_100016283227_100000188475 [0,1,0,0,0,0|1,0,2]=4 602 B12R0.1 C/C=C/CCOCOC(=O)CCC 34a_100016278192_100000034017 [0,1,0,0,0,0|0,0,2]=3 603 B12R0.1 C=COC(=O)COCC/C=C\CC 34a_100016288707_100000036128 [0,1,0,0,0,0|1,0,2]=4 604 B12R0.1 CC#CCCOCOC(=O)CCC 34a_100000750427_100000034017 [0,1,0,0,0,0|0,0,3]=4 605 B12R0.1 CC/C=C/CCCOC(C)CCC 34a_100016287902_100000766640 [0,1,0,0,0,0|1,0,1]=3 606 B12R0.1 CC/C=C/CCCOC(C)CCC 7a_100016287902_100000766640 [0,1,0,0,0,0|1,0,1]=3 607 B12R0.1 CC/C=C/CCCOC(C)CCO 34a_100016287902_100009893172 [0,1,0,0,0,0|2,0,1]=4 608 B12R0.1 CC/C=C/CCCOC(C)CCO 7a_100016287902_100009893172 [0,1,0,0,0,0|2,0,1]=4 609 B12R0.1 CC/C=C/CCCOC(C)COC 34a_100016287902_100000765312 [0,1,0,0,0,0|2,0,1]=4 610 B12R0.1 CC/C=C/CCCOC(C)COC 7a_100016287902_100000765312 [0,1,0,0,0,0|2,0,1]=4 611 B12R0.1 CC/C=C\CCNCC(=O)NCC 2230a_100016988866_100015370543 [0,1,0,0,0,0|2,0,0]=3 612 B12R0.1 CC/C=C\CCOCC(=O)CCC 7a_100016288707_100000747444 [0,1,0,0,0,0|0,0,0]=1 613 B12R0.1 CC/C=C\CCOCC(=O)NCC 34a_100016288707_100000183381 [0,1,0,0,0,0|1,0,0]=2 614 B12R0.1 CC/C=C\CCOCC(=O)NCC 7a_100016288707_100000183381 [0,1,0,0,0,0|1,0,0]=2 615 B12R0.1 CC/C=C\CCOCC(=O)NCO 34a_100016288707_100000185155 [0,1,0,0,0,0|2,0,0]=3 616 B12R0.1 CC/C=C\CCOCC(=O)NCO 7a_100016288707_100000185155 [0,1,0,0,0,0|2,0,0]=3 617 B12R0.1 CC/C=C\CCOCC(=O)OCC 34a_100016288707_100000188475 [0,1,0,0,0,0|1,0,0]=2 618 B12R0.1 CC/C=C\CCOCC(=O)OCC 7a_100016288707_100000188475 [0,1,0,0,0,0|1,0,0]=2 619 B12R0.1 CC/C=C\CCOCC(C)CCC 34a_100000688023_100015370543 [0,1,0,0,0,0|1,0,1]=3 620 B12R0.1 CC/C=C\CCOCC(C)CCC 34a_100016288707_100011216630 [0,1,0,0,0,0|1,0,1]=3 621 B12R0.1 CC/C=C\CCOCC(C)CCC 7a_100000688023_100015370543 [0,1,0,0,0,0|1,0,1]=3 622 B12R0.1 CC/C=C\CCOCC(C)CCC 7a_100016288707_100011216630 [0,1,0,0,0,0|1,0,1]=3 623 B12R0.1 CC/C=C\CCOCC(C)CCN 34a_106354213184_100015370543 [0,1,0,0,0,0|2,0,1]=4 624 B12R0.1 CC/C=C\CCOCC(N)COC 34a_100000724102_100015370543 [0,1,0,0,0,0|2,0,1]=4 625 B12R0.1 CC/C=C\CCOCC(O)COC 34a_100016288707_100011215053 [0,1,0,0,0,0|1,0,2]=4 626 B12R0.1 CC/C=C\CCOCC(O)COC 7a_100016288707_100011215053 [0,1,0,0,0,0|1,0,2]=4 627 B12R0.1 CC/C=C\CCOC[C@@H](N)CCC 34a_100000732646_100015370543 [0,1,0,0,0,0|1,0,1]=3 628 B12R0.1 CC/C=C\CCSCC(=O)CCC 62a_100000747444_100015370543 [0,1,0,0,0,0|0,1,0]=2 629 B12R0.1 CC/C=C\CCSCC(=O)CCC 62a_100015370543_100000747444 [0,1,0,0,0,0|0,1,0]=2 630 B12R0.1 CC/C=C\CCSCC(=O)NCC 62a_100000183381_100015370543 [0,1,0,0,0,0|1,1,0]=3 631 B12R0.1 CC/C=C\CCSCC(=O)NCC 62a_100015370543_100000183381 [0,1,0,0,0,0|1,1,0]=3 632 B12R0.1 CC/C=C\CCSCC(=O)NCO 62a_100000185155_100015370543 [0,1,0,0,0,0|2,1,0]=4 633 B12R0.1 CC/C=C\CCSCC(=O)NCO 62a_100015370543_100000185155 [0,1,0,0,0,0|2,1,0]=4 634 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100000188475_100015370543 [0,1,0,0,0,0|1,1,0]=3 635 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100015370543_100000188475 [0,1,0,0,0,0|1,1,0]=3 636 B12R0.1 CC/C=C\CCSCC(C)CCC 62a_100011216630_100015370543 [0,1,0,0,0,0|1,1,1]=4 637 B12R0.1 CC/C=C\CCSCC(C)CCC 62a_100015370543_100011216630 [0,1,0,0,0,0|1,1,1]=4 638 B12R0.1 CC/C=C\CNCCC(=O)NCC 34a_100025743525_100103147603 [0,1,0,0,0,0|2,0,0]=3 639 B12R0.1 CC/C=C\COCCC(=O)OCC 34a_100016268518_100000765890 [0,1,0,0,0,0|2,0,0]=3 640 B12R0.1 CC/C=C\COCCC(C)CCC 34a_100011217855_100103147603 [0,1,0,0,0,0|2,0,1]=4 641 B12R0.1 CC/C=C\COCCC(C)CCC 7a_100011217855_100103147603 [0,1,0,0,0,0|2,0,1]=4 642 B12R0.1 CC/C=C\COCC[C@@H](N)CCC 34a_100015193777_100103147603 [0,1,0,0,0,0|2,0,1]=4 643 B12R0.1 CC/C=C\COCOC(=O)CCC 34a_100016268518_100000034017 [0,1,0,0,0,0|0,0,0]=1 644 B12R0.1 CC/C=C\CSCCC(=O)NCC 62a_100000737597_100103147603 [0,1,0,0,0,0|2,0,0]=3 645 B12R0.1 CC/C=C\CSCCC(=O)NCC 62a_100103147603_100000737597 [0,1,0,0,0,0|2,0,0]=3 646 B12R0.1 CC/C=C\CSCCC(=O)OCC 62a_100000765890_100103147603 [0,1,0,0,0,0|2,0,0]=3 647 B12R0.1 CC/C=C\CSCCC(=O)OCC 62a_100103147603_100000765890 [0,1,0,0,0,0|2,0,0]=3 648 B12R0.1 CC/C=C\CSCOC(=O)CCC 62a_100103147603_100000034017 [0,1,0,0,0,0|0,0,0]=1 649 B12R0.1 CC/C=C\CSCOC(=O)OCC 62a_100103147603_100000075025 [0,1,0,0,0,0|1,0,0]=2 650 B12R0.1 CC=C=CCCOCC(=O)NCC 34a_100011020354_100000183381 [0,1,0,0,0,0|1,0,2]=4 651 B12R0.1 CC=C=CCCOCC(=O)OCC 34a_100011020354_100000188475 [0,1,0,0,0,0|1,0,2]=4 652 B12R0.1 CC=CCCCOCC(=O)NCC 34a_100020645299_100000183381 [0,1,0,0,0,0|1,0,2]=4 653 B12R0.1 CC=CCCCOCC(=O)OCC 34a_100020645299_100000188475 [0,1,0,0,0,0|1,0,2]=4 654 B12R0.1 CCC#CCCOCC(=O)CCC 7a_100000036655_100000747444 [0,1,0,0,0,0|0,0,2]=3 655 B12R0.1 CCC#CCCOCC(=O)NCC 34a_100000036655_100000183381 [0,1,0,0,0,0|1,0,2]=4 656 B12R0.1 CCC#CCCOCC(=O)NCC 7a_100000036655_100000183381 [0,1,0,0,0,0|1,0,2]=4 657 B12R0.1 CCC#CCCOCC(=O)OCC 34a_100000036655_100000188475 [0,1,0,0,0,0|1,0,2]=4 658 B12R0.1 CCC#CCCOCC(=O)OCC 7a_100000036655_100000188475 [0,1,0,0,0,0|1,0,2]=4 659 B12R0.1 CCC#CCOCOC(=O)CCC 34a_100000032950_100000034017 [0,1,0,0,0,0|0,0,2]=3 660 B12R0.1 CCC#CCSCOC(=O)CCC 62a_100009813939_100000034017 [0,1,0,0,0,0|0,0,2]=3 661 B12R0.1 CCC#CCSCOC(=O)OCC 62a_100009813939_100000075025 [0,1,0,0,0,0|1,0,2]=4 662 B12R0.1 CCC/C=C/COCC(=O)CCC 7a_100016278788_100000747444 [0,1,0,0,0,0|0,0,2]=3 663 B12R0.1 CCC/C=C/COCC(=O)NCC 34a_100016278788_100000183381 [0,1,0,0,0,0|1,0,2]=4 664 B12R0.1 CCC/C=C/COCC(=O)NCC 7a_100016278788_100000183381 [0,1,0,0,0,0|1,0,2]=4 665 B12R0.1 CCC/C=C/COCC(=O)OCC 34a_100016278788_100000188475 [0,1,0,0,0,0|1,0,2]=4 666 B12R0.1 CCC/C=C/COCC(=O)OCC 7a_100016278788_100000188475 [0,1,0,0,0,0|1,0,2]=4 667 B12R0.1 CCCC#CCOCC(=O)CCC 7a_100000034806_100000747444 [0,1,0,0,0,0|0,0,3]=4 668 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,1,0,0,0,0|1,0,2]=4 669 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,1,0,0,0,0|1,0,2]=4 670 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [0,1,0,0,0,0|1,0,2]=4 671 B12R0.1 CCCC(=O)CCCOCCOC 1458a_100000211992_100011216529 [0,1,0,0,0,0|2,0,1]=4 672 B12R0.1 CCCC(=O)CCOCCOCC 1458a_100000211992_100011211534 [0,1,0,0,0,0|2,0,1]=4 673 B12R0.1 CCCC(=O)CNCCCOCC 2230a_100000210961_100000747444 [0,1,0,0,0,0|2,0,1]=4 674 B12R0.1 CCCC(=O)COCCCCCBr 7a_100000746331_100000747444 [0,1,0,0,0,0|1,0,2]=4 675 B12R0.1 CCCC(=O)COCCCCCCl 7a_100000746330_100000747444 [0,1,0,0,0,0|1,0,2]=4 676 B12R0.1 CCCC(=O)COCCCCCI 7a_200012148887_100000747444 [0,1,0,0,0,0|1,0,2]=4 677 B12R0.1 CCCC(=O)COCCCCSC 7a_100011217163_100000747444 [0,1,0,0,0,0|1,0,2]=4 678 B12R0.1 CCCC(=O)COCCCOCC 7a_100000757476_100000747444 [0,1,0,0,0,0|1,0,1]=3 679 B12R0.1 CCCC(=O)COCCCSCC 7a_100011216438_100000747444 [0,1,0,0,0,0|1,0,1]=3 680 B12R0.1 CCCC(=O)COCCOCCBr 7a_100000692535_100000747444 [0,1,0,0,0,0|2,0,1]=4 681 B12R0.1 CCCC(=O)COCCOCCCl 7a_100011215305_100000747444 [0,1,0,0,0,0|2,0,1]=4 682 B12R0.1 CCCC(=O)COCCOCCF 7a_200015357709_100000747444 [0,1,0,0,0,0|2,0,1]=4 683 B12R0.1 CCCC(=O)COCCOCCI 7a_100012149058_100000747444 [0,1,0,0,0,0|2,0,1]=4 684 B12R0.1 CCCC(=O)COCCOCCO 1458a_106645077154_100000210303 [0,1,0,0,0,0|2,0,1]=4 685 B12R0.1 CCCC(=O)CSCCCOCC 62a_100000747444_100012232248 [0,1,0,0,0,0|1,1,1]=4 686 B12R0.1 CCCC(=O)CSCCCOCC 62a_100012232248_100000747444 [0,1,0,0,0,0|1,1,1]=4 687 B12R0.1 CCCC(=O)NCCCCCCO 240690a_100000686447_100000211992 [0,1,0,0,0,0|1,0,2]=4 688 B12R0.1 CCCC(=O)NCCCCCCO 527a_100000686447_100000211992 [0,1,0,0,0,0|1,0,2]=4 689 B12R0.1 CCCC(=O)NCCCCCOC 11a_100000747528_100000211992 [0,1,0,0,0,0|1,0,2]=4 690 B12R0.1 CCCC(=O)NCCCCCOC 1626a_100000747528_100000211992 [0,1,0,0,0,0|1,0,2]=4 691 B12R0.1 CCCC(=O)NCCCCCOC 240690a_100000747528_100000211992 [0,1,0,0,0,0|1,0,2]=4 692 B12R0.1 CCCC(=O)NCCCCCOC 527a_100000747528_100000211992 [0,1,0,0,0,0|1,0,2]=4 693 B12R0.1 CCCC(=O)NCCOCCOC 11a_100000745349_100000211992 [0,1,0,0,0,0|2,0,1]=4 694 B12R0.1 CCCC(=O)NCCOCCOC 1626a_100000745349_100000211992 [0,1,0,0,0,0|2,0,1]=4 695 B12R0.1 CCCC(=O)NCCOCCOC 240690a_100000745349_100000211992 [0,1,0,0,0,0|2,0,1]=4 696 B12R0.1 CCCC(=O)NCCOCCOC 527a_100000745349_100000211992 [0,1,0,0,0,0|2,0,1]=4 697 B12R0.1 CCCC(=O)OCNCCCCO 2230a_100000750430_100000034017 [0,1,0,0,0,0|1,0,2]=4 698 B12R0.1 CCCC(=O)OCNCCCCO 34a_100000750430_100000034017 [0,1,0,0,0,0|1,0,2]=4 699 B12R0.1 CCCC(=O)OCNCCCOC 34a_100150723488_100000034017 [0,1,0,0,0,0|1,0,2]=4 700 B12R0.1 CCCC(=O)OCNCCCSC 2230a_100000749238_100000034017 [0,1,0,0,0,0|1,0,2]=4 701 B12R0.1 CCCC(=O)OCNCCOCC 2230a_102516460346_100000034017 [0,1,0,0,0,0|1,0,1]=3 702 B12R0.1 CCCC(=O)OCNCCOCC 34a_102516460346_100000034017 [0,1,0,0,0,0|1,0,1]=3 703 B12R0.1 CCCC(=O)OCNCCSCC 2230a_100000106463_100000034017 [0,1,0,0,0,0|1,0,1]=3 704 B12R0.1 CCCC(=O)OCOCC#CCCl 34a_200000047223_100000034017 [0,1,0,0,0,0|1,0,2]=4 705 B12R0.1 CCCC(=O)OCOCCCCBr 34a_100011216708_100000034017 [0,1,0,0,0,0|1,0,2]=4 706 B12R0.1 CCCC(=O)OCOCCCCCl 34a_100000210776_100000034017 [0,1,0,0,0,0|1,0,2]=4 707 B12R0.1 CCCC(=O)OCOCCCCF 34a_100011995726_100000034017 [0,1,0,0,0,0|1,0,2]=4 708 B12R0.1 CCCC(=O)OCOCCCCI 34a_200012148704_100000034017 [0,1,0,0,0,0|1,0,2]=4 709 B12R0.1 CCCC(=O)OCOCCCCN 34a_100000750430_100000034017 [0,1,0,0,0,0|1,0,2]=4 710 B12R0.1 CCCC(=O)OCOCCCNC 34a_100000213112_100000034017 [0,1,0,0,0,0|1,0,2]=4 711 B12R0.1 CCCC(=O)OCOCCCOC 34a_100000740835_100000034017 [0,1,0,0,0,0|1,0,2]=4 712 B12R0.1 CCCC(=O)OCOCCCSC 34a_100000690336_100000034017 [0,1,0,0,0,0|1,0,2]=4 713 B12R0.1 CCCC(=O)OCOCCOCC 34a_100000210136_100000034017 [0,1,0,0,0,0|1,0,1]=3 714 B12R0.1 CCCC(=O)OCOCCSCC 34a_100000212035_100000034017 [0,1,0,0,0,0|1,0,1]=3 715 B12R0.1 CCCC(=O)OCSCC#CCO 62a_200000047223_100000034017 [0,1,0,0,0,0|1,0,2]=4 716 B12R0.1 CCCC(=O)OCSCCCCF 62a_100000729493_100000034017 [0,1,0,0,0,0|1,0,2]=4 717 B12R0.1 CCCC(=O)OCSCCCCO 62a_100000210776_100000034017 [0,1,0,0,0,0|1,0,2]=4 718 B12R0.1 CCCC(=O)OCSCCCOC 62a_100000709357_100000034017 [0,1,0,0,0,0|1,0,2]=4 719 B12R0.1 CCCC(=O)OCSCCOCC 62a_100000210147_100000034017 [0,1,0,0,0,0|1,0,1]=3 720 B12R0.1 CCCC(=O)OCSCCSCC 62a_100000757381_100000034017 [0,1,0,0,0,0|1,0,1]=3 721 B12R0.1 CCCC=CC=NNC(=O)CCC 4a_100000189770_100016266791 [0,1,0,0,0,0|2,0,1]=4 722 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [0,1,0,0,0,0|1,0,2]=4 723 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,1,0,0,0,0|1,0,2]=4 724 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,1,0,0,0,0|1,0,2]=4 725 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [0,1,0,0,0,0|1,0,2]=4 726 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [0,1,0,0,0,0|1,0,2]=4 727 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [0,1,0,0,0,0|1,0,2]=4 728 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [0,1,0,0,0,0|1,0,2]=4 729 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [0,1,0,0,0,0|1,0,2]=4 730 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,1,0,0,0,0|0,0,2]=3 731 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [0,1,0,0,0,0|1,0,2]=4 732 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [0,1,0,0,0,0|1,0,2]=4 733 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [0,1,0,0,0,0|1,0,2]=4 734 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [0,1,0,0,0,0|1,0,2]=4 735 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [0,1,0,0,0,0|0,1,2]=4 736 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [0,1,0,0,0,0|0,1,2]=4 737 B12R0.1 CCCCCNCOC(=O)CCC 2230a_100000209983_100000034017 [0,1,0,0,0,0|0,0,2]=3 738 B12R0.1 CCCCCOCOC(=O)CCC 34a_100000210253_100000034017 [0,1,0,0,0,0|0,0,2]=3 739 B12R0.1 CCCCCSCOC(=O)CCC 62a_100000210326_100000034017 [0,1,0,0,0,0|0,0,2]=3 740 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [0,1,0,0,0,0|1,0,2]=4 741 B12R0.1 CCCCSCCNC(=O)CCC 11a_100025743550_100000211992 [0,1,0,0,0,0|1,0,2]=4 742 B12R0.1 CCCCSCCNC(=O)CCC 1626a_100025743550_100000211992 [0,1,0,0,0,0|1,0,2]=4 743 B12R0.1 CCCCSCCNC(=O)CCC 240690a_100025743550_100000211992 [0,1,0,0,0,0|1,0,2]=4 744 B12R0.1 CCCCSCCNC(=O)CCC 527a_100025743550_100000211992 [0,1,0,0,0,0|1,0,2]=4 745 B12R0.1 CCCOCCCNC(=O)CCC 1626a_100011217757_100000211992 [0,1,0,0,0,0|1,0,2]=4 746 B12R0.1 CCCOCCCNC(=O)CCC 240690a_100011217757_100000211992 [0,1,0,0,0,0|1,0,2]=4 747 B12R0.1 CCCOCCCNC(=O)CCC 527a_100011217757_100000211992 [0,1,0,0,0,0|1,0,2]=4 748 B12R0.1 CCCOCCNCC(=O)CCC 2230a_100161115042_100000747444 [0,1,0,0,0,0|2,0,1]=4 749 B12R0.1 CCCOCCOCC(=O)CCC 7a_100000752267_100000747444 [0,1,0,0,0,0|1,0,1]=3 750 B12R0.1 CCCOCCOCC(=O)NCC 34a_100000752267_100000183381 [0,1,0,0,0,0|2,0,1]=4 751 B12R0.1 CCCOCCOCC(=O)NCC 7a_100000752267_100000183381 [0,1,0,0,0,0|2,0,1]=4 752 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000210258_100000088970 [0,1,0,0,0,0|2,0,1]=4 753 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000752267_100000188475 [0,1,0,0,0,0|2,0,1]=4 754 B12R0.1 CCCOCCOCC(=O)OCC 7a_100000752267_100000188475 [0,1,0,0,0,0|2,0,1]=4 755 B12R0.1 CCCOCCSCC(=O)CCC 62a_100000747444_100011215938 [0,1,0,0,0,0|1,1,1]=4 756 B12R0.1 CCCOCCSCC(=O)CCC 62a_100011215938_100000747444 [0,1,0,0,0,0|1,1,1]=4 757 B12R0.1 CCCSCCNCC(=O)CCC 2230a_100020603323_100000747444 [0,1,0,0,0,0|2,0,1]=4 758 B12R0.1 CCCSCCOCC(=O)CCC 7a_200000230433_100000747444 [0,1,0,0,0,0|1,0,1]=3 759 B12R0.1 CCCSCCOCC(=O)NCC 34a_200000230433_100000183381 [0,1,0,0,0,0|2,0,1]=4 760 B12R0.1 CCCSCCOCC(=O)NCC 7a_200000230433_100000183381 [0,1,0,0,0,0|2,0,1]=4 761 B12R0.1 CCCSCCOCC(=O)OCC 34a_200000230433_100000188475 [0,1,0,0,0,0|2,0,1]=4 762 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000088970_100000210303 [0,1,0,0,0,0|2,0,1]=4 763 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000210303_100000088970 [0,1,0,0,0,0|2,0,1]=4 764 B12R0.1 CCCSCCOCC(=O)OCC 7a_200000230433_100000188475 [0,1,0,0,0,0|2,0,1]=4 765 B12R0.1 CCNC(=O)COCCCOCC 34a_100000757476_100000183381 [0,1,0,0,0,0|2,0,1]=4 766 B12R0.1 CCNC(=O)COCCCOCC 7a_100000757476_100000183381 [0,1,0,0,0,0|2,0,1]=4 767 B12R0.1 CCNC(=O)COCCCSCC 34a_100011216438_100000183381 [0,1,0,0,0,0|2,0,1]=4 768 B12R0.1 CCNC(=O)COCCCSCC 7a_100011216438_100000183381 [0,1,0,0,0,0|2,0,1]=4 769 B12R0.1 CCNCCCOCC(=O)OCC 2230a_100015525214_100009893628 [0,1,0,0,0,0|2,0,1]=4 770 B12R0.1 CCOC(=O)COCCCSCC 34a_100011216438_100000188475 [0,1,0,0,0,0|2,0,1]=4 771 B12R0.1 CCOC(=O)COCCCSCC 62a_100000210202_100009893628 [0,1,0,0,0,0|2,0,1]=4 772 B12R0.1 CCOC(=O)COCCCSCC 62a_100009893628_100000210202 [0,1,0,0,0,0|2,0,1]=4 773 B12R0.1 CCOC(=O)COCCCSCC 7a_100011216438_100000188475 [0,1,0,0,0,0|2,0,1]=4 774 B12R0.1 CCOC(=O)OCSCCSCC 62a_100000757381_100000075025 [0,1,0,0,0,0|2,0,1]=4 775 B12R0.1 CCOCCCOCC(=O)OCC 34a_100000757476_100000188475 [0,1,0,0,0,0|2,0,1]=4 776 B12R0.1 CCOCCCOCC(=O)OCC 34a_100121572206_100009893628 [0,1,0,0,0,0|2,0,1]=4 777 B12R0.1 CCOCCCOCC(=O)OCC 7a_100000757476_100000188475 [0,1,0,0,0,0|2,0,1]=4 778 B12R0.1 CCOCCSCOC(=O)OCC 62a_100000210147_100000075025 [0,1,0,0,0,0|2,0,1]=4 779 B12R0.4 CC/C=C\CCNC(C)CC(C)C 2230a_100000692259_100015370543 [0,1,0,0,0,0|2,0,1]=4 780 B12R0.4 CC/C=C\CCOC(C)CC(C)C 34a_100000211805_100015370543 [0,1,0,0,0,0|1,0,1]=3 781 B12R0.4 CC/C=C\CCOC(C)CC(C)C 34a_100016288707_100000731052 [0,1,0,0,0,0|1,0,1]=3 782 B12R0.4 CC/C=C\CCOC(C)CC(C)C 7a_100000211805_100015370543 [0,1,0,0,0,0|1,0,1]=3 783 B12R0.4 CC/C=C\CCOC(C)CC(C)C 7a_100016288707_100000731052 [0,1,0,0,0,0|1,0,1]=3 784 B12R0.4 CC/C=C\CCSC(C)CC(C)C 62a_100000731052_100015370543 [0,1,0,0,0,0|1,1,1]=4 785 B12R0.4 CC/C=C\CCSC(C)CC(C)C 62a_100015370543_100000731052 [0,1,0,0,0,0|1,1,1]=4 786 B12R0.4 CC/C=C\CNCC(=O)NC(C)C 2230a_100000168517_100103147603 [0,1,0,0,0,0|3,0,0]=4 787 B12R0.4 CC/C=C\COCC(=O)NC(C)C 34a_100016268518_100000183996 [0,1,0,0,0,0|3,0,0]=4 788 B12R0.4 CC/C=C\COCC(=O)OC(C)C 34a_100016268518_100011215430 [0,1,0,0,0,0|3,0,0]=4 789 B12R0.4 CC/C=C\CSCC(=O)NC(C)C 62a_100000183996_100103147603 [0,1,0,0,0,0|3,0,0]=4 790 B12R0.4 CC/C=C\CSCC(=O)NC(C)C 62a_100103147603_100000183996 [0,1,0,0,0,0|3,0,0]=4 791 B12R0.4 CC/C=C\CSCC(=O)OC(C)C 62a_100011215430_100103147603 [0,1,0,0,0,0|3,0,0]=4 792 B12R0.4 CC/C=C\CSCC(=O)OC(C)C 62a_100103147603_100011215430 [0,1,0,0,0,0|3,0,0]=4 793 B12R0.4 CCC=CC=NNC(=O)CC(C)C 4a_100000189787_100011216943 [0,1,0,0,0,0|2,0,1]=4 794 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210614 [0,1,0,0,0,0|1,0,2]=4 795 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000211969_100000210624 [0,1,0,0,0,0|1,0,2]=4 796 B12R0.4 CCCCCCCC(=O)CC(C)O 1458a_100000211969_100011218427 [0,1,0,0,0,0|1,0,2]=4 797 B12R0.4 CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210614 [0,1,0,0,0,0|1,0,2]=4 798 B12R0.4 CCCCCCNC(=O)CC(C)C 11a_100000210581_100000210554 [0,1,0,0,0,0|1,0,2]=4 799 B12R0.4 CCCCCCNC(=O)CC(C)C 1626a_100000210581_100000210554 [0,1,0,0,0,0|1,0,2]=4 800 B12R0.4 CCCCCCNC(=O)CC(C)C 240690a_100000210581_100000210554 [0,1,0,0,0,0|1,0,2]=4 801 B12R0.4 CCCCCCNC(=O)CC(C)C 527a_100000210581_100000210554 [0,1,0,0,0,0|1,0,2]=4 802 B12R0.4 CCCCCCNC(=O)C[C@@H](C)O 240690a_100000210581_100011933948 [0,1,0,0,0,0|1,0,2]=4 803 B12R0.4 CCCOCCNC(=O)CC(C)C 1626a_100161115042_100000210554 [0,1,0,0,0,0|2,0,1]=4 804 B12R0.4 CCCOCCNC(=O)CC(C)C 240690a_100161115042_100000210554 [0,1,0,0,0,0|2,0,1]=4 805 B12R0.4 CCCOCCNC(=O)CC(C)C 527a_100161115042_100000210554 [0,1,0,0,0,0|2,0,1]=4 806 B12R0.4 CCCOCCNC(=O)C[C@@H](C)O 240690a_100161115042_100011933948 [0,1,0,0,0,0|2,0,1]=4 807 B12R0.4 CCCOCCOC(=O)CC(=O)C 34a_100000210258_100000102702 [0,1,0,0,0,0|1,0,2]=4 808 B12R0.4 CCCSCCNC(=O)CC(C)C 11a_100020603323_100000210554 [0,1,0,0,0,0|2,0,1]=4 809 B12R0.4 CCCSCCNC(=O)CC(C)C 240690a_100020603323_100000210554 [0,1,0,0,0,0|2,0,1]=4 810 B12R0.4 CCCSCCNC(=O)CC(C)C 527a_100020603323_100000210554 [0,1,0,0,0,0|2,0,1]=4 811 B12R0.4 CCCSCCNC(=O)C[C@@H](C)O 240690a_100020603323_100011933948 [0,1,0,0,0,0|2,0,1]=4 812 B12R0.4 CCCSCCOC(=O)CC(=O)C 62a_100000102702_100000210303 [0,1,0,0,0,0|1,0,2]=4 813 B12R0.4 CCCSCCOC(=O)CC(=O)C 62a_100000210303_100000102702 [0,1,0,0,0,0|1,0,2]=4 814 B12R0.4 CCOCCCNC(=O)CC(C)C 11a_100000210961_100000210554 [0,1,0,0,0,0|2,0,1]=4 815 B12R0.4 CCOCCCNC(=O)CC(C)C 1626a_100000210961_100000210554 [0,1,0,0,0,0|2,0,1]=4 816 B12R0.4 CCOCCCNC(=O)CC(C)C 240690a_100000210961_100000210554 [0,1,0,0,0,0|2,0,1]=4 817 B12R0.4 CCOCCCNC(=O)CC(C)C 527a_100000210961_100000210554 [0,1,0,0,0,0|2,0,1]=4 818 B12R0.4 CCOCCCNC(=O)C[C@@H](C)O 240690a_100000210961_100011933948 [0,1,0,0,0,0|2,0,1]=4 819 B12R0.49 CC/C=C\CCOC(=O)C(C)OC 34a_200020655201_200000210301 [0,1,0,0,0,0|1,0,0]=2 820 B12R0.49 CC/C=C\CCOC(=O)C(C)OC 7a_200020655201_200000210301 [0,1,0,0,0,0|1,0,0]=2 821 B12R0.49 CC/C=C\CCOC(=O)C(C)O[13CH3] 34a_200020655201_200025704644 [0,1,0,0,0,0|1,0,0]=2 822 B12R0.49 CC/C=C\CCOC(=O)C(C)O[13CH3] 7a_200020655201_200025704644 [0,1,0,0,0,0|1,0,0]=2 823 B12R0.49 CC/C=C\CCOC(C)C(=O)CC 7a_100016288707_100000742827 [0,1,0,0,0,0|1,0,2]=4 824 B12R0.49 CC/C=C\CCOC(C)C(C)CC 7a_100011215189_100015370543 [0,1,0,0,0,0|1,0,1]=3 825 B12R0.49 CC/C=C\COCC(=O)N(C)CC 34a_100016268518_100000738999 [0,1,0,0,0,0|3,0,0]=4 826 B12R0.49 CC/C=C\CSCC(=O)N(C)CC 62a_100000738999_100103147603 [0,1,0,0,0,0|3,0,0]=4 827 B12R0.49 CC/C=C\CSCC(=O)N(C)CC 62a_100103147603_100000738999 [0,1,0,0,0,0|3,0,0]=4 828 B12R0.49 CCC=CC=NNC(=O)C(C)CC 4a_100000740736_100011216943 [0,1,0,0,0,0|2,0,1]=4 829 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100000211969_100000758301 [0,1,0,0,0,0|1,0,2]=4 830 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210614 [0,1,0,0,0,0|1,0,2]=4 831 B12R0.49 CCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210614 [0,1,0,0,0,0|1,0,2]=4 832 B12R0.49 CCCCCCNC(=O)C(C)CC 11a_100000210581_100011192722 [0,1,0,0,0,0|1,0,2]=4 833 B12R0.49 CCCCCCNC(=O)C(C)CC 1626a_100000210581_100011192722 [0,1,0,0,0,0|1,0,2]=4 834 B12R0.49 CCCCCCNC(=O)C(C)CC 240690a_100000210581_100011192722 [0,1,0,0,0,0|1,0,2]=4 835 B12R0.49 CCCCCCNC(=O)C(C)CC 527a_100000210581_100011192722 [0,1,0,0,0,0|1,0,2]=4 836 B12R0.49 CCCCCCNC(=O)C(O)CC 240690a_100000210581_100011196387 [0,1,0,0,0,0|1,0,2]=4 837 B12R0.49 CCCOCCNC(=O)C(C)CC 1626a_100161115042_100011192722 [0,1,0,0,0,0|2,0,1]=4 838 B12R0.49 CCCOCCNC(=O)C(C)CC 240690a_100161115042_100011192722 [0,1,0,0,0,0|2,0,1]=4 839 B12R0.49 CCCOCCNC(=O)C(C)CC 527a_100161115042_100011192722 [0,1,0,0,0,0|2,0,1]=4 840 B12R0.49 CCCOCCNC(=O)C(O)CC 240690a_100161115042_100011196387 [0,1,0,0,0,0|2,0,1]=4 841 B12R0.49 CCCSCCNC(=O)C(C)CC 11a_100020603323_100011192722 [0,1,0,0,0,0|2,0,1]=4 842 B12R0.49 CCCSCCNC(=O)C(C)CC 240690a_100020603323_100011192722 [0,1,0,0,0,0|2,0,1]=4 843 B12R0.49 CCCSCCNC(=O)C(C)CC 527a_100020603323_100011192722 [0,1,0,0,0,0|2,0,1]=4 844 B12R0.49 CCCSCCNC(=O)C(O)CC 240690a_100020603323_100011196387 [0,1,0,0,0,0|2,0,1]=4 845 B12R0.49 CCOCCCNC(=O)C(C)CC 11a_100000210961_100011192722 [0,1,0,0,0,0|2,0,1]=4 846 B12R0.49 CCOCCCNC(=O)C(C)CC 1626a_100000210961_100011192722 [0,1,0,0,0,0|2,0,1]=4 847 B12R0.49 CCOCCCNC(=O)C(C)CC 240690a_100000210961_100011192722 [0,1,0,0,0,0|2,0,1]=4 848 B12R0.49 CCOCCCNC(=O)C(C)CC 527a_100000210961_100011192722 [0,1,0,0,0,0|2,0,1]=4 849 B12R0.49 CCOCCCNC(=O)C(O)CC 240690a_100000210961_100011196387 [0,1,0,0,0,0|2,0,1]=4 850 B12R0.101 C=CC=CC(=O)COC(=O)CCC 1458a_100016291481_100000034017 [0,1,0,0,0,0|0,0,3]=4 851 B12R0.101 CC=CCC(=O)COC(=O)CCC 1458a_100121576822_100000034017 [0,1,0,0,0,0|0,0,3]=4 852 B12R0.101 CCC#CC(=O)COC(=O)CCC 1458a_100011827653_100000034017 [0,1,0,0,0,0|0,0,3]=4 853 B12R0.101 CCC=CC(=O)COC(=O)CCC 1458a_100000212282_100000034017 [0,1,0,0,0,0|0,0,1]=2 854 B12R0.101 CCC=CC(=O)NNC(=O)CCC 22a_100000189770_100000212282 [0,1,0,0,0,0|2,0,1]=4 855 B12R0.101 CCCC(=O)NCC(O)COCC 240690a_102515437182_100000211992 [0,1,0,0,0,0|2,0,1]=4 856 B12R0.101 CCCC(=O)NCC(O)COCC 527a_102515437182_100000211992 [0,1,0,0,0,0|2,0,1]=4 857 B12R0.101 CCCC(=O)OCC(=O)C=COC 1458a_100016268678_100000034017 [0,1,0,0,0,0|1,0,1]=3 858 B12R0.101 CCCC(=O)OCC(=O)COCC 1458a_100000211967_100000034017 [0,1,0,0,0,0|1,0,2]=4 859 B12R0.101 CCCC(=O)OCC(=O)CSCC 1458a_100000230394_100000034017 [0,1,0,0,0,0|1,0,2]=4 860 B12R0.101 CCCCC(=O)COC(=O)CCC 1458a_100000210183_100000034017 [0,1,0,0,0,0|0,0,3]=4 861 B12R0.101 CCCCC(C)CCC(=O)CCC 1458a_100000033779_100000210303 [0,1,0,0,0,0|1,0,2]=4 862 B12R0.101 CCCCN(C)COC(=O)CCC 2230a_100000207549_100000034017 [0,1,0,0,0,0|1,0,2]=4 863 B12R0.101 CCCCN(C)COC(=O)CCC 269982a_100000207549_100000034017 [0,1,0,0,0,0|1,0,2]=4 864 B12R0.101 CCCOC(C)CNC(=O)CCC 11a_100015185124_100000211992 [0,1,0,0,0,0|2,0,1]=4 865 B12R0.101 CCCOC(C)CNC(=O)CCC 1626a_100015185124_100000211992 [0,1,0,0,0,0|2,0,1]=4 866 B12R0.101 CCCOC(C)CNC(=O)CCC 240690a_100015185124_100000211992 [0,1,0,0,0,0|2,0,1]=4 867 B12R0.101 CCCOC(C)CNC(=O)CCC 527a_100015185124_100000211992 [0,1,0,0,0,0|2,0,1]=4 868 B12R0.114 CC/C=C\CCC(=O)/C(=C/CC)/C 1458a_100016988807_100015370543 [0,1,0,0,0,0|2,0,1]=4 869 B12R0.114 CC/C=C\CCC(=O)C(=O)NCC 1458a_200011297158_100015370543 [0,1,0,0,0,0|2,0,0]=3 870 B12R0.114 CC/C=C\CCC(=O)C(C)CCC 1458a_100000210906_100015370543 [0,1,0,0,0,0|2,0,1]=4 871 B12R0.114 CC/C=C\CCC(=O)[C@@H](O)CCC 1458a_100009822183_100015370543 [0,1,0,0,0,0|1,0,2]=4 872 B12R0.114 CC/C=C\CNC(C)C(=O)NCC 2230a_100000736553_100103147603 [0,1,0,0,0,0|3,0,0]=4 873 B12R0.114 CC/C=C\CNC(C)C(=O)NCC 34a_100000736553_100103147603 [0,1,0,0,0,0|3,0,0]=4 874 B12R0.114 CC/C=C\CN[C@@H](C)C(=O)SCC 2230a_100103168634_100103147603 [0,1,0,0,0,0|3,0,0]=4 875 B12R0.114 CC/C=C\COC(C)C(=O)NCC 34a_100016268518_100000230173 [0,1,0,0,0,0|3,0,0]=4 876 B12R0.114 CC/C=C\COC(C)C(=O)OCC 34a_100016268518_100011216346 [0,1,0,0,0,0|3,0,0]=4 877 B12R0.114 CC/C=C\COC(F)C(=O)OCC 34a_100016268518_100000760018 [0,1,0,0,0,0|3,0,0]=4 878 B12R0.114 CC/C=C\CO[C@@H](C)C(=O)OCC 7a_100000751109_100103147603 [0,1,0,0,0,0|3,0,0]=4 879 B12R0.114 CC/C=C\CSC(C)C(=O)NCC 62a_100000230173_100103147603 [0,1,0,0,0,0|3,0,0]=4 880 B12R0.114 CC/C=C\CSC(C)C(=O)NCC 62a_100103147603_100000230173 [0,1,0,0,0,0|3,0,0]=4 881 B12R0.114 CC/C=C\CSC(C)C(=O)OCC 62a_100011216346_100103147603 [0,1,0,0,0,0|3,0,0]=4 882 B12R0.114 CC/C=C\CSC(C)C(=O)OCC 62a_100103147603_100011216346 [0,1,0,0,0,0|3,0,0]=4 883 B12R0.114 CC/C=C\CSC(F)C(=O)OCC 62a_100000760018_100103147603 [0,1,0,0,0,0|3,0,0]=4 884 B12R0.114 CC/C=C\CSC(F)C(=O)OCC 62a_100103147603_100000760018 [0,1,0,0,0,0|3,0,0]=4 885 B12R0.114 CCCCCCC(C)C(=O)CCC 1458a_100000211992_100011215978 [0,1,0,0,0,0|1,0,2]=4 886 B12R0.114 CCCCCCC(O)C(=O)CCC 1458a_100011215828_100000210303 [0,1,0,0,0,0|1,0,2]=4 887 B12R0.114 CCCCCCN(C)C(=O)CCC 11a_106256046315_100000211992 [0,1,0,0,0,0|1,0,2]=4 888 B12R0.114 CCCCCCN(C)C(=O)CCC 1626a_106256046315_100000211992 [0,1,0,0,0,0|1,0,2]=4 889 B12R0.114 CCCCCCN(C)C(=O)CCC 240690a_106256046315_100000211992 [0,1,0,0,0,0|1,0,2]=4 890 B12R0.114 CCCCCCN(C)C(=O)CCC 527a_106256046315_100000211992 [0,1,0,0,0,0|1,0,2]=4 891 B12R0.121 C#CC(CCC)OCC/C=C\CC 34a_200011217317_100015370543 [0,1,0,0,0,0|1,0,1]=3 892 B12R0.121 C#CC(CCC)OCC/C=C\CC 7a_200011217317_100015370543 [0,1,0,0,0,0|1,0,1]=3 893 B12R0.121 C=CC(CCC)OCC/C=C\CC 34a_100011216692_100015370543 [0,1,0,0,0,0|1,0,1]=3 894 B12R0.121 C=CC(CCC)OCC/C=C\CC 7a_100011216692_100015370543 [0,1,0,0,0,0|1,0,1]=3 895 B12R0.121 CC/C=C\CCNC(CC)CCC 2230a_100000747048_100015370543 [0,1,0,0,0,0|2,0,1]=4 896 B12R0.121 CC/C=C\CCN[C@H](CO)CCC 2230a_100000732646_100015370543 [0,1,0,0,0,0|1,0,2]=4 897 B12R0.121 CC/C=C\CCN[C@H](CO)CCC 34a_100000732646_100015370543 [0,1,0,0,0,0|1,0,2]=4 898 B12R0.121 CC/C=C\CCOC(C#N)CCC 34a_100000686963_100015370543 [0,1,0,0,0,0|1,0,1]=3 899 B12R0.121 CC/C=C\CCOC(C#N)CCC 7a_100000686963_100015370543 [0,1,0,0,0,0|1,0,1]=3 900 B12R0.121 CC/C=C\CCOC(CC)CCC 34a_100000687864_100015370543 [0,1,0,0,0,0|1,0,1]=3 901 B12R0.121 CC/C=C\CCOC(CC)CCC 7a_100000687864_100015370543 [0,1,0,0,0,0|1,0,1]=3 902 B12R0.121 CC/C=C\CCOC(CC)CCC 7a_100016288707_100011219200 [0,1,0,0,0,0|1,0,1]=3 903 B12R0.121 CC/C=C\CCOC(CC)COC 7a_200011214946_100015370543 [0,1,0,0,0,0|2,0,1]=4 904 B12R0.121 CC/C=C\CCOC(CCl)COC 34a_100011215053_100015370543 [0,1,0,0,0,0|2,0,1]=4 905 B12R0.121 CC/C=C\CCOC(CN)COC 34a_100000756049_100015370543 [0,1,0,0,0,0|2,0,1]=4 906 B12R0.121 CC/C=C\CCSC(CC)CCC 62a_100011219200_100015370543 [0,1,0,0,0,0|1,1,1]=4 907 B12R0.121 CC/C=C\CCSC(CC)CCC 62a_100015370543_100011219200 [0,1,0,0,0,0|1,1,1]=4 908 B12R0.206 C/C=C/COCOC(=O)OCCC 34a_100016270725_200000139673 [0,1,0,0,0,0|1,0,2]=4 909 B12R0.206 C/C=C/CSCOC(=O)OCCC 62a_100102629194_200000139673 [0,1,0,0,0,0|1,0,2]=4 910 B12R0.206 C=CCCC(C)OCC/C=C\CC 34a_100000765329_100015370543 [0,1,0,0,0,0|1,0,2]=4 911 B12R0.206 C=CCCC(C)OCC/C=C\CC 7a_100000765329_100015370543 [0,1,0,0,0,0|1,0,2]=4 912 B12R0.206 CC/C=C\CCNC(C)CCCC 2230a_100000126638_100015370543 [0,1,0,0,0,0|2,0,1]=4 913 B12R0.206 CC/C=C\CCOC(C)CCCC 34a_100000687866_100015370543 [0,1,0,0,0,0|1,0,1]=3 914 B12R0.206 CC/C=C\CCOC(C)CCCC 34a_100016288707_200011215066 [0,1,0,0,0,0|1,0,1]=3 915 B12R0.206 CC/C=C\CCOC(C)CCCC 7a_100000687866_100015370543 [0,1,0,0,0,0|1,0,1]=3 916 B12R0.206 CC/C=C\CCOC(C)CCCC 7a_100016288707_200011215066 [0,1,0,0,0,0|1,0,1]=3 917 B12R0.206 CC/C=C\CCOC(C)CCCCl 34a_200000718107_100015370543 [0,1,0,0,0,0|1,0,1]=3 918 B12R0.206 CC/C=C\CCOC(C)CCCCl 7a_200000718107_100015370543 [0,1,0,0,0,0|1,0,1]=3 919 B12R0.206 CC/C=C\CCOC(C)COCC 34a_100000718985_100015370543 [0,1,0,0,0,0|1,0,1]=3 920 B12R0.206 CC/C=C\CCOC(C)COCC 7a_100000718985_100015370543 [0,1,0,0,0,0|1,0,1]=3 921 B12R0.206 CC/C=C\CCSC(C)CCCC 62a_100015370543_200011215066 [0,1,0,0,0,0|1,1,1]=4 922 B12R0.206 CC/C=C\CCSC(C)CCCC 62a_200011215066_100015370543 [0,1,0,0,0,0|1,1,1]=4 923 B12R0.206 CC/C=C\CNCC(=O)NCCC 2230a_100000174927_100103147603 [0,1,0,0,0,0|2,0,0]=3 924 B12R0.206 CC/C=C\CNCC(=O)NCCF 2230a_100000725713_100103147603 [0,1,0,0,0,0|3,0,0]=4 925 B12R0.206 CC/C=C\COCC(=O)NCCC 34a_100016268518_100000183358 [0,1,0,0,0,0|2,0,0]=3 926 B12R0.206 CC/C=C\COCC(=O)OCCC 34a_100016268518_200011215008 [0,1,0,0,0,0|2,0,0]=3 927 B12R0.206 CC/C=C\CSCC(=O)NCCC 62a_100000183358_100103147603 [0,1,0,0,0,0|2,0,0]=3 928 B12R0.206 CC/C=C\CSCC(=O)NCCC 62a_100103147603_100000183358 [0,1,0,0,0,0|2,0,0]=3 929 B12R0.206 CC/C=C\CSCC(=O)OCCC 62a_100103147603_200011215008 [0,1,0,0,0,0|2,0,0]=3 930 B12R0.206 CC/C=C\CSCC(=O)OCCC 62a_200011215008_100103147603 [0,1,0,0,0,0|2,0,0]=3 931 B12R0.206 CC=CCSCOC(=O)OCCC 62a_100000070051_200000139673 [0,1,0,0,0,0|1,0,2]=4 932 B12R0.206 CCC#CC(C)OCC/C=C\CC 34a_100000033903_100015370543 [0,1,0,0,0,0|1,0,2]=4 933 B12R0.206 CCC#CC(C)OCC/C=C\CC 7a_100000033903_100015370543 [0,1,0,0,0,0|1,0,2]=4 934 B12R0.206 CCC=CC=NNC(=O)CCCC 4a_100000189769_100011216943 [0,1,0,0,0,0|2,0,1]=4 935 B12R0.206 CCC=CC=NNC(=O)CCOC 4a_100011260505_100011216943 [0,1,0,0,0,0|2,0,1]=4 936 B12R0.206 CCC=CC=NNC(=O)COCC 4a_100000216846_100011216943 [0,1,0,0,0,0|2,0,1]=4 937 B12R0.206 CCCCC(=O)NCCCOCC 11a_100000210961_100000210183 [0,1,0,0,0,0|2,0,1]=4 938 B12R0.206 CCCCC(=O)NCCCOCC 1626a_100000210961_100000210183 [0,1,0,0,0,0|2,0,1]=4 939 B12R0.206 CCCCC(=O)NCCCOCC 240690a_100000210961_100000210183 [0,1,0,0,0,0|2,0,1]=4 940 B12R0.206 CCCCC(=O)NCCCOCC 527a_100000210961_100000210183 [0,1,0,0,0,0|2,0,1]=4 941 B12R0.206 CCCCC(=O)NCCOCCC 1626a_100161115042_100000210183 [0,1,0,0,0,0|2,0,1]=4 942 B12R0.206 CCCCC(=O)NCCOCCC 240690a_100161115042_100000210183 [0,1,0,0,0,0|2,0,1]=4 943 B12R0.206 CCCCC(=O)NCCOCCC 527a_100161115042_100000210183 [0,1,0,0,0,0|2,0,1]=4 944 B12R0.206 CCCCC(=O)NCCSCCC 11a_100020603323_100000210183 [0,1,0,0,0,0|2,0,1]=4 945 B12R0.206 CCCCC(=O)NCCSCCC 240690a_100020603323_100000210183 [0,1,0,0,0,0|2,0,1]=4 946 B12R0.206 CCCCC(=O)NCCSCCC 527a_100020603323_100000210183 [0,1,0,0,0,0|2,0,1]=4 947 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000210183_100000210614 [0,1,0,0,0,0|1,0,2]=4 948 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000211969_100000210211 [0,1,0,0,0,0|1,0,2]=4 949 B12R0.206 CCCCCCCC(=O)CCCF 1458a_100000211969_100011934791 [0,1,0,0,0,0|1,0,2]=4 950 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [0,1,0,0,0,0|1,0,2]=4 951 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [0,1,0,0,0,0|1,0,2]=4 952 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [0,1,0,0,0,0|1,0,2]=4 953 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000174002_100000210614 [0,1,0,0,0,0|1,0,2]=4 954 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000211969_100000751147 [0,1,0,0,0,0|1,0,2]=4 955 B12R0.206 CCCCCCCC(=O)COCC 1458a_100000211967_100000210614 [0,1,0,0,0,0|1,0,2]=4 956 B12R0.206 CCCCCCCC(=O)CSCC 1458a_100000230394_100000210614 [0,1,0,0,0,0|1,0,2]=4 957 B12R0.206 CCCCCCCC(=O)NCCC 11a_100020643023_100000211969 [0,1,0,0,0,0|1,0,2]=4 958 B12R0.206 CCCCCCCC(=O)NCCC 1626a_100020643023_100000211969 [0,1,0,0,0,0|1,0,2]=4 959 B12R0.206 CCCCCCCC(=O)NCCC 240690a_100020643023_100000211969 [0,1,0,0,0,0|1,0,2]=4 960 B12R0.206 CCCCCCCC(=O)NCCC 527a_100020643023_100000211969 [0,1,0,0,0,0|1,0,2]=4 961 B12R0.206 CCCCCCNC(=O)CCCC 11a_100000210581_100000210183 [0,1,0,0,0,0|1,0,2]=4 962 B12R0.206 CCCCCCNC(=O)CCCC 1626a_100000210581_100000210183 [0,1,0,0,0,0|1,0,2]=4 963 B12R0.206 CCCCCCNC(=O)CCCC 240690a_100000210581_100000210183 [0,1,0,0,0,0|1,0,2]=4 964 B12R0.206 CCCCCCNC(=O)CCCC 527a_100000210581_100000210183 [0,1,0,0,0,0|1,0,2]=4 965 B12R0.206 CCCCCCNC(=O)CCOC 11a_100000210581_100000749529 [0,1,0,0,0,0|1,0,2]=4 966 B12R0.206 CCCCCCNC(=O)CCOC 1626a_100000210581_100000749529 [0,1,0,0,0,0|1,0,2]=4 967 B12R0.206 CCCCCCNC(=O)CCOC 240690a_100000210581_100000749529 [0,1,0,0,0,0|1,0,2]=4 968 B12R0.206 CCCCCCNC(=O)CCOC 527a_100000210581_100000749529 [0,1,0,0,0,0|1,0,2]=4 969 B12R0.206 CCCCCCNC(=O)CCSC 11a_100000210581_100000174002 [0,1,0,0,0,0|1,0,2]=4 970 B12R0.206 CCCCCCNC(=O)CCSC 1626a_100000210581_100000174002 [0,1,0,0,0,0|1,0,2]=4 971 B12R0.206 CCCCCCNC(=O)CCSC 240690a_100000210581_100000174002 [0,1,0,0,0,0|1,0,2]=4 972 B12R0.206 CCCCCCNC(=O)CCSC 527a_100000210581_100000174002 [0,1,0,0,0,0|1,0,2]=4 973 B12R0.206 CCCCCCNC(=O)CNCC 2230a_100015525214_100000230325 [0,1,0,0,0,0|1,0,2]=4 974 B12R0.206 CCCCCCNC(=O)COCC 11a_100000210581_100000211967 [0,1,0,0,0,0|1,0,2]=4 975 B12R0.206 CCCCCCNC(=O)COCC 1626a_100000210581_100000211967 [0,1,0,0,0,0|1,0,2]=4 976 B12R0.206 CCCCCCNC(=O)COCC 240690a_100000210581_100000211967 [0,1,0,0,0,0|1,0,2]=4 977 B12R0.206 CCCCCCNC(=O)COCC 34a_100121572206_100000230325 [0,1,0,0,0,0|1,0,2]=4 978 B12R0.206 CCCCCCNC(=O)COCC 527a_100000210581_100000211967 [0,1,0,0,0,0|1,0,2]=4 979 B12R0.206 CCCCCCNC(=O)CSCC 11a_100000210581_100000230394 [0,1,0,0,0,0|1,0,2]=4 980 B12R0.206 CCCCCCNC(=O)CSCC 1626a_100000210581_100000230394 [0,1,0,0,0,0|1,0,2]=4 981 B12R0.206 CCCCCCNC(=O)CSCC 240690a_100000210581_100000230394 [0,1,0,0,0,0|1,0,2]=4 982 B12R0.206 CCCCCCNC(=O)CSCC 527a_100000210581_100000230394 [0,1,0,0,0,0|1,0,2]=4 983 B12R0.206 CCCCCCNC(=O)CSCC 62a_100000230325_100000210202 [0,1,0,0,0,0|1,0,2]=4 984 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100000210581_100020643023 [0,1,0,0,0,0|1,0,2]=4 985 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100020643023_100000210581 [0,1,0,0,0,0|1,0,2]=4 986 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100000210581_100020643023 [0,1,0,0,0,0|1,0,2]=4 987 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100020643023_100000210581 [0,1,0,0,0,0|1,0,2]=4 988 B12R0.206 CCCCCCNC(=O)NCCC 512a_100000210581_100020643023 [0,1,0,0,0,0|1,0,2]=4 989 B12R0.206 CCCCCCNC(=O)NCCC 512a_100020643023_100000210581 [0,1,0,0,0,0|1,0,2]=4 990 B12R0.206 CCCCNCOC(=O)OCCC 7a_106832991798_200000139673 [0,1,0,0,0,0|1,0,2]=4 991 B12R0.206 CCCCOCOC(=O)OCCC 34a_100000210227_200000139673 [0,1,0,0,0,0|1,0,2]=4 992 B12R0.206 CCCCOCOC(=O)OCCC 7a_100000210227_200000139673 [0,1,0,0,0,0|1,0,2]=4 993 B12R0.206 CCCCSCOC(=O)OCCC 62a_100000210211_200000139673 [0,1,0,0,0,0|1,0,2]=4 994 B12R0.206 CCCNC(=O)CCCSCCC 62a_100000210303_100011194427 [0,1,0,0,0,0|2,0,1]=4 995 B12R0.206 CCCNC(=O)CCCSCCC 62a_100011194427_100000210303 [0,1,0,0,0,0|2,0,1]=4 996 B12R0.206 CCCNC(=O)NCCCOCC 2708a_100000210961_100020643023 [0,1,0,0,0,0|2,0,1]=4 997 B12R0.206 CCCNC(=O)NCCCOCC 2708a_100020643023_100000210961 [0,1,0,0,0,0|2,0,1]=4 998 B12R0.206 CCCNC(=O)NCCCOCC 273464a_100000210961_100020643023 [0,1,0,0,0,0|2,0,1]=4 999 B12R0.206 CCCNC(=O)NCCCOCC 273464a_100020643023_100000210961 [0,1,0,0,0,0|2,0,1]=4 1000 B12R0.206 CCCNC(=O)NCCCOCC 512a_100000210961_100020643023 [0,1,0,0,0,0|2,0,1]=4 1001 B12R0.206 CCCNC(=O)NCCCOCC 512a_100020643023_100000210961 [0,1,0,0,0,0|2,0,1]=4 1002 B12R0.206 CCCNC(=O)NCCOCCC 2708a_100020643023_100161115042 [0,1,0,0,0,0|2,0,1]=4 1003 B12R0.206 CCCNC(=O)NCCOCCC 2708a_100161115042_100020643023 [0,1,0,0,0,0|2,0,1]=4 1004 B12R0.206 CCCNC(=O)NCCOCCC 273464a_100020643023_100161115042 [0,1,0,0,0,0|2,0,1]=4 1005 B12R0.206 CCCNC(=O)NCCOCCC 273464a_100161115042_100020643023 [0,1,0,0,0,0|2,0,1]=4 1006 B12R0.206 CCCNC(=O)NCCOCCC 512a_100020643023_100161115042 [0,1,0,0,0,0|2,0,1]=4 1007 B12R0.206 CCCNC(=O)NCCOCCC 512a_100161115042_100020643023 [0,1,0,0,0,0|2,0,1]=4 1008 B12R0.206 CCCNC(=O)NCCSCCC 2708a_100020603323_100020643023 [0,1,0,0,0,0|2,0,1]=4 1009 B12R0.206 CCCNC(=O)NCCSCCC 2708a_100020643023_100020603323 [0,1,0,0,0,0|2,0,1]=4 1010 B12R0.206 CCCNC(=O)NCCSCCC 273464a_100020603323_100020643023 [0,1,0,0,0,0|2,0,1]=4 1011 B12R0.206 CCCNC(=O)NCCSCCC 273464a_100020643023_100020603323 [0,1,0,0,0,0|2,0,1]=4 1012 B12R0.206 CCCNC(=O)NCCSCCC 512a_100020603323_100020643023 [0,1,0,0,0,0|2,0,1]=4 1013 B12R0.206 CCCNC(=O)NCCSCCC 512a_100020643023_100020603323 [0,1,0,0,0,0|2,0,1]=4 1014 B12R0.206 CCCOC(=O)OCSCOCC 62a_100000739092_200000139673 [0,1,0,0,0,0|2,0,1]=4 1015 B12R0.206 CCCOCCNC(=O)CCOC 1626a_100161115042_100000749529 [0,1,0,0,0,0|2,0,1]=4 1016 B12R0.206 CCCOCCNC(=O)CCOC 240690a_100161115042_100000749529 [0,1,0,0,0,0|2,0,1]=4 1017 B12R0.206 CCCOCCNC(=O)CCOC 527a_100161115042_100000749529 [0,1,0,0,0,0|2,0,1]=4 1018 B12R0.206 CCCOCCNC(=O)CCSC 1626a_100161115042_100000174002 [0,1,0,0,0,0|2,0,1]=4 1019 B12R0.206 CCCOCCNC(=O)CCSC 240690a_100161115042_100000174002 [0,1,0,0,0,0|2,0,1]=4 1020 B12R0.206 CCCOCCNC(=O)CCSC 527a_100161115042_100000174002 [0,1,0,0,0,0|2,0,1]=4 1021 B12R0.206 CCCOCCNC(=O)COCC 1626a_100161115042_100000211967 [0,1,0,0,0,0|2,0,1]=4 1022 B12R0.206 CCCOCCNC(=O)COCC 240690a_100161115042_100000211967 [0,1,0,0,0,0|2,0,1]=4 1023 B12R0.206 CCCOCCNC(=O)COCC 527a_100161115042_100000211967 [0,1,0,0,0,0|2,0,1]=4 1024 B12R0.206 CCCOCCNC(=O)CSCC 1626a_100161115042_100000230394 [0,1,0,0,0,0|2,0,1]=4 1025 B12R0.206 CCCOCCNC(=O)CSCC 240690a_100161115042_100000230394 [0,1,0,0,0,0|2,0,1]=4 1026 B12R0.206 CCCOCCNC(=O)CSCC 527a_100161115042_100000230394 [0,1,0,0,0,0|2,0,1]=4 1027 B12R0.206 CCCSCCNC(=O)CCOC 11a_100020603323_100000749529 [0,1,0,0,0,0|2,0,1]=4 1028 B12R0.206 CCCSCCNC(=O)CCOC 240690a_100020603323_100000749529 [0,1,0,0,0,0|2,0,1]=4 1029 B12R0.206 CCCSCCNC(=O)CCOC 527a_100020603323_100000749529 [0,1,0,0,0,0|2,0,1]=4 1030 B12R0.206 CCCSCCNC(=O)CCSC 11a_100020603323_100000174002 [0,1,0,0,0,0|2,0,1]=4 1031 B12R0.206 CCCSCCNC(=O)CCSC 240690a_100020603323_100000174002 [0,1,0,0,0,0|2,0,1]=4 1032 B12R0.206 CCCSCCNC(=O)CCSC 527a_100020603323_100000174002 [0,1,0,0,0,0|2,0,1]=4 1033 B12R0.206 CCCSCCNC(=O)COCC 11a_100020603323_100000211967 [0,1,0,0,0,0|2,0,1]=4 1034 B12R0.206 CCCSCCNC(=O)COCC 240690a_100020603323_100000211967 [0,1,0,0,0,0|2,0,1]=4 1035 B12R0.206 CCCSCCNC(=O)COCC 527a_100020603323_100000211967 [0,1,0,0,0,0|2,0,1]=4 1036 B12R0.206 CCCSCCNC(=O)CSCC 11a_100020603323_100000230394 [0,1,0,0,0,0|2,0,1]=4 1037 B12R0.206 CCCSCCNC(=O)CSCC 240690a_100020603323_100000230394 [0,1,0,0,0,0|2,0,1]=4 1038 B12R0.206 CCCSCCNC(=O)CSCC 527a_100020603323_100000230394 [0,1,0,0,0,0|2,0,1]=4 1039 B12R0.206 CCOCCCNC(=O)CCOC 11a_100000210961_100000749529 [0,1,0,0,0,0|2,0,1]=4 1040 B12R0.206 CCOCCCNC(=O)CCOC 1626a_100000210961_100000749529 [0,1,0,0,0,0|2,0,1]=4 1041 B12R0.206 CCOCCCNC(=O)CCOC 240690a_100000210961_100000749529 [0,1,0,0,0,0|2,0,1]=4 1042 B12R0.206 CCOCCCNC(=O)CCOC 527a_100000210961_100000749529 [0,1,0,0,0,0|2,0,1]=4 1043 B12R0.206 CCOCCCNC(=O)CCSC 11a_100000210961_100000174002 [0,1,0,0,0,0|2,0,1]=4 1044 B12R0.206 CCOCCCNC(=O)CCSC 1626a_100000210961_100000174002 [0,1,0,0,0,0|2,0,1]=4 1045 B12R0.206 CCOCCCNC(=O)CCSC 240690a_100000210961_100000174002 [0,1,0,0,0,0|2,0,1]=4 1046 B12R0.206 CCOCCCNC(=O)CCSC 527a_100000210961_100000174002 [0,1,0,0,0,0|2,0,1]=4 1047 B12R0.206 CCOCCCNC(=O)COCC 11a_100000210961_100000211967 [0,1,0,0,0,0|2,0,1]=4 1048 B12R0.206 CCOCCCNC(=O)COCC 1626a_100000210961_100000211967 [0,1,0,0,0,0|2,0,1]=4 1049 B12R0.206 CCOCCCNC(=O)COCC 240690a_100000210961_100000211967 [0,1,0,0,0,0|2,0,1]=4 1050 B12R0.206 CCOCCCNC(=O)COCC 527a_100000210961_100000211967 [0,1,0,0,0,0|2,0,1]=4 1051 B12R0.206 CCOCCCNC(=O)CSCC 11a_100000210961_100000230394 [0,1,0,0,0,0|2,0,1]=4 1052 B12R0.206 CCOCCCNC(=O)CSCC 1626a_100000210961_100000230394 [0,1,0,0,0,0|2,0,1]=4 1053 B12R0.206 CCOCCCNC(=O)CSCC 240690a_100000210961_100000230394 [0,1,0,0,0,0|2,0,1]=4 1054 B12R0.206 CCOCCCNC(=O)CSCC 527a_100000210961_100000230394 [0,1,0,0,0,0|2,0,1]=4 1055 B12R0.239 C=C(CCC)CC(=O)C/C=C\CC 1458a_100000138376_100103147603 [0,1,0,0,0,0|2,0,1]=4 1056 B12R0.239 CC/C=C/CC(=O)CC(=O)CCC 1458a_100016274230_100000747444 [0,1,0,0,0,0|1,0,1]=3 1057 B12R0.239 CC/C=C/CC(=O)CC(=O)NCC 1458a_100016274230_100000183381 [0,1,0,0,0,0|2,0,1]=4 1058 B12R0.239 CC/C=C/CC(=O)CC(=O)OCC 1458a_100016274230_100000188475 [0,1,0,0,0,0|2,0,1]=4 1059 B12R0.239 CC/C=C\CC(=O)C=C(C)CCC 1458a_100020676950_100103147603 [0,1,0,0,0,0|2,0,1]=4 1060 B12R0.239 CC/C=C\CC(=O)CC(=O)OCC 1458a_100000243816_100103147603 [0,1,0,0,0,0|2,0,1]=4 1061 B12R0.239 CC/C=C\CC(=O)CS(=O)CCC 1458a_100011387404_100103147603 [0,1,0,0,0,0|2,0,1]=4 1062 B12R0.239 CC/C=C\CN(C)CC(=O)NCC 2230a_100000741943_100103147603 [0,1,0,0,0,0|3,0,0]=4 1063 B12R0.239 CC/C=C\CN(C)CC(=O)NCC 269982a_100000741943_100103147603 [0,1,0,0,0,0|3,0,0]=4 1064 B12R0.239 CC/C=C\CN(C)CC(=O)OCC 2230a_100000220588_100103147603 [0,1,0,0,0,0|3,0,0]=4 1065 B12R0.239 CCCCCC(C)NC(=O)CCC 11a_100000211957_100000211992 [0,1,0,0,0,0|1,0,2]=4 1066 B12R0.239 CCCCCC(C)NC(=O)CCC 1626a_100000211957_100000211992 [0,1,0,0,0,0|1,0,2]=4 1067 B12R0.239 CCCCCC(C)NC(=O)CCC 240690a_100000211957_100000211992 [0,1,0,0,0,0|1,0,2]=4 1068 B12R0.239 CCCCCC(C)NC(=O)CCC 527a_100000211957_100000211992 [0,1,0,0,0,0|1,0,2]=4 1069 B12R0.239 CCCCCC(C)OC(=O)CNC 2230a_106832991635_200000092394 [0,1,0,0,0,0|1,0,2]=4 1070 B12R0.239 CCCCCC(C)OC(=O)CNC 34a_100102657272_200000092394 [0,1,0,0,0,0|1,0,2]=4 1071 B12R0.239 CCCCCC(C)OC(=O)CNC 7a_106832991635_200000092394 [0,1,0,0,0,0|1,0,2]=4 1072 B12R0.239 CCCCCC(C)OC(=O)COC 34a_100138415774_200000092394 [0,1,0,0,0,0|1,0,2]=4 1073 B12R0.239 CCCCCC(C)OC(=O)CSC 62a_200000092394_200000210301 [0,1,0,0,0,0|1,0,2]=4 1074 B12R0.239 CCCCCC(C)OC(=O)CSC 62a_200000210301_200000092394 [0,1,0,0,0,0|1,0,2]=4 1075 B12R0.239 CCCCCC(C)OC(=O)CS[13CH3] 62a_200000092394_200025704644 [0,1,0,0,0,0|1,0,2]=4 1076 B12R0.239 CCCCCC(C)OC(=O)CS[13CH3] 62a_200025704644_200000092394 [0,1,0,0,0,0|1,0,2]=4 1077 B12R0.276 CCC(=O)NCCNC(=O)CCO 240690a_100132302217_100011216618 [0,1,0,0,0,0|3,0,0]=4 1078 B12R0.276 CCC(=O)NCCNC(=O)COC 11a_100132302217_100000210968 [0,1,0,0,0,0|3,0,0]=4 1079 B12R0.276 CCC(=O)NCCNC(=O)COC 1626a_100132302217_100000210968 [0,1,0,0,0,0|3,0,0]=4 1080 B12R0.276 CCC(=O)NCCNC(=O)COC 240690a_100132302217_100000210968 [0,1,0,0,0,0|3,0,0]=4 1081 B12R0.276 CCC(=O)NCCNC(=O)COC 527a_100132302217_100000210968 [0,1,0,0,0,0|3,0,0]=4 1082 B12R0.276 CCC(=O)NCCNC(=O)CSC 11a_100132302217_100000184570 [0,1,0,0,0,0|3,0,0]=4 1083 B12R0.276 CCC(=O)NCCNC(=O)CSC 1626a_100132302217_100000184570 [0,1,0,0,0,0|3,0,0]=4 1084 B12R0.276 CCC(=O)NCCNC(=O)CSC 240690a_100132302217_100000184570 [0,1,0,0,0,0|3,0,0]=4 1085 B12R0.276 CCC(=O)NCCNC(=O)CSC 527a_100132302217_100000184570 [0,1,0,0,0,0|3,0,0]=4 1086 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000211992_100000204269 [0,1,0,0,0,0|2,0,1]=4 1087 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210303 [0,1,0,0,0,0|2,0,1]=4 1088 B12R0.276 CCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210303 [0,1,0,0,0,0|3,0,0]=4 1089 B12R0.276 CCCC(=O)NCCCC(=O)NC 11a_100000740002_100000211992 [0,1,0,0,0,0|2,0,1]=4 1090 B12R0.276 CCCC(=O)NCCCC(=O)NC 240690a_100000740002_100000211992 [0,1,0,0,0,0|2,0,1]=4 1091 B12R0.276 CCCC(=O)NCCCC(=O)NC 527a_100000740002_100000211992 [0,1,0,0,0,0|2,0,1]=4 1092 B12R0.276 CCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000211992 [0,1,0,0,0,0|2,0,1]=4 1093 B12R0.276 CCCC(=O)NCCNC(=O)CC 11a_100132302217_100000211992 [0,1,0,0,0,0|2,0,0]=3 1094 B12R0.276 CCCC(=O)NCCNC(=O)CC 1626a_100132302217_100000211992 [0,1,0,0,0,0|2,0,0]=3 1095 B12R0.276 CCCC(=O)NCCNC(=O)CC 240690a_100132302217_100000211992 [0,1,0,0,0,0|2,0,0]=3 1096 B12R0.276 CCCC(=O)NCCNC(=O)CC 527a_100132302217_100000211992 [0,1,0,0,0,0|2,0,0]=3 1097 B12R0.276 CCCC(=O)NCCNC(=O)NC 11a_100015205895_100000211992 [0,1,0,0,0,0|3,0,0]=4 1098 B12R0.276 CCCC(=O)NCCNC(=O)NC 240690a_100015205895_100000211992 [0,1,0,0,0,0|3,0,0]=4 1099 B12R0.276 CCCC(=O)NCCNC(=O)NC 527a_100015205895_100000211992 [0,1,0,0,0,0|3,0,0]=4 1100 B12R0.276 CCCC(=O)OCNCC(=O)NC 2230a_100000693194_100000034017 [0,1,0,0,0,0|2,0,1]=4 1101 B12R0.276 CCCC(=O)OCNCC(C)CC 2230a_100020588543_100000034017 [0,1,0,0,0,0|1,0,2]=4 1102 B12R0.276 CCCC(=O)OCNCC(O)CC 2230a_100011218483_100000034017 [0,1,0,0,0,0|1,0,2]=4 1103 B12R0.276 CCCC(=O)OCOCC(=O)CC 34a_100000725409_100000034017 [0,1,0,0,0,0|1,0,1]=3 1104 B12R0.276 CCCC(=O)OCOCC(=O)NC 34a_100000750040_100000034017 [0,1,0,0,0,0|2,0,1]=4 1105 B12R0.276 CCCC(=O)OCSCC(=O)CC 62a_100000747405_100000034017 [0,1,0,0,0,0|1,0,1]=3 1106 B12R0.276 CCCC(=O)OCSCC(=O)NC 62a_100000183359_100000034017 [0,1,0,0,0,0|2,0,1]=4 1107 B12R0.276 CCCC(=O)OCSCC(=O)OC 62a_100000747449_100000034017 [0,1,0,0,0,0|2,0,1]=4 1108 B12R0.276 CCCC(=O)OCSCC(C)CC 62a_100000748023_100000034017 [0,1,0,0,0,0|1,0,2]=4 1109 B12R0.276 CCCC(=O)OCSCC(O)CC 62a_100011218378_100000034017 [0,1,0,0,0,0|1,0,2]=4 1110 B12R0.276 CCCC(=O)OCSC[C@@H](C)CC 62a_100009816398_100000034017 [0,1,0,0,0,0|1,0,2]=4 1111 B12R0.276 CCCC(C)OCCNC(=O)CC 34a_200000158885_100000766640 [0,1,0,0,0,0|2,0,1]=4 1112 B12R0.276 CCCC(C)OCCNC(=O)CC 7a_200000158885_100000766640 [0,1,0,0,0,0|2,0,1]=4 1113 B12R0.276 CCCC(C)OCCOC(=O)CC 7a_200000031056_100000766640 [0,1,0,0,0,0|2,0,1]=4 1114 B12R0.276 CCNC(=O)NCCNC(=O)CC 2708a_100015525214_100132302217 [0,1,0,0,0,0|3,0,0]=4 1115 B12R0.276 CCNC(=O)NCCNC(=O)CC 2708a_100132302217_100015525214 [0,1,0,0,0,0|3,0,0]=4 1116 B12R0.276 CCNC(=O)NCCNC(=O)CC 273464a_100015525214_100132302217 [0,1,0,0,0,0|3,0,0]=4 1117 B12R0.276 CCNC(=O)NCCNC(=O)CC 273464a_100132302217_100015525214 [0,1,0,0,0,0|3,0,0]=4 1118 B12R0.276 CCNC(=O)NCCNC(=O)CC 512a_100015525214_100132302217 [0,1,0,0,0,0|3,0,0]=4 1119 B12R0.276 CCNC(=O)NCCNC(=O)CC 512a_100132302217_100015525214 [0,1,0,0,0,0|3,0,0]=4 1120 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100000210414_100000750268 [0,1,0,0,0,0|2,0,1]=4 1121 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100011217402_100000210202 [0,1,0,0,0,0|2,0,1]=4 1122 B12R0.276 CCOC(=O)CCCNC(=O)CC 188690a_100000211256_100000210414 [0,1,0,0,0,0|3,0,0]=4 1123 B12R0.276 CCOC(=O)OCSCC(=O)CC 62a_100000747405_100000075025 [0,1,0,0,0,0|2,0,1]=4 1124 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000211992_100000210682 [0,1,0,0,0,0|1,0,2]=4 1125 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210303 [0,1,0,0,0,0|1,0,2]=4 1126 B12R0.277 CCCC(=O)NCCCOC(C)C 11a_100000737246_100000211992 [0,1,0,0,0,0|2,0,1]=4 1127 B12R0.277 CCCC(=O)NCCCOC(C)C 1626a_100000737246_100000211992 [0,1,0,0,0,0|2,0,1]=4 1128 B12R0.277 CCCC(=O)NCCCOC(C)C 240690a_100000737246_100000211992 [0,1,0,0,0,0|2,0,1]=4 1129 B12R0.277 CCCC(=O)NCCCOC(C)C 527a_100000737246_100000211992 [0,1,0,0,0,0|2,0,1]=4 1130 B12R0.277 CCCC(=O)OCNCC=C(C)C 34a_100000718196_100000034017 [0,1,0,0,0,0|1,0,2]=4 1131 B12R0.277 CCCC(=O)OCNCCC(C)O 2230a_200000755665_100000034017 [0,1,0,0,0,0|1,0,2]=4 1132 B12R0.277 CCCC(=O)OCOCC=C(C)C 34a_100000753907_100000034017 [0,1,0,0,0,0|1,0,2]=4 1133 B12R0.277 CCCC(=O)OCOCCC(C)Br 34a_100009893172_100000034017 [0,1,0,0,0,0|1,0,2]=4 1134 B12R0.277 CCCC(=O)OCOCCC(C)C 34a_100000210254_100000034017 [0,1,0,0,0,0|1,0,2]=4 1135 B12R0.277 CCCC(=O)OCOCC[C@@H](C)N 34a_100000706166_100000034017 [0,1,0,0,0,0|1,0,2]=4 1136 B12R0.277 CCCC(=O)OCSCC=C(C)C 62a_100000761012_100000034017 [0,1,0,0,0,0|1,0,2]=4 1137 B12R0.277 CCCC(=O)OCSCCC(C)C 62a_100000210312_100000034017 [0,1,0,0,0,0|1,0,2]=4 1138 B12R0.277 CCCC(=O)OCSCCC(C)O 62a_100012276601_100000034017 [0,1,0,0,0,0|1,0,2]=4 1139 B12R0.277 CCCC(=O)OCSCOC(C)C 62a_100000709892_100000034017 [0,1,0,0,0,0|2,0,1]=4 1140 B12R0.285 C/C=C/C(C)OCOC(=O)CCC 34a_200102604097_100000034017 [0,1,0,0,0,0|1,0,2]=4 1141 B12R0.285 CC/C=C(\C)/C=NNC(=O)CCC 4a_100000189770_100020678925 [0,1,0,0,0,0|2,0,1]=4 1142 B12R0.285 CC=CC(=O)CCCC(=O)OCC 1458a_100000210699_100011215271 [0,1,0,0,0,0|2,0,1]=4 1143 B12R0.285 CC=CC(=O)CCNC(=O)OCC 1458a_100000210699_200011445536 [0,1,0,0,0,0|2,0,1]=4 1144 B12R0.285 CCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210303 [0,1,0,0,0,0|2,0,0]=3 1145 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210303 [0,1,0,0,0,0|2,0,0]=3 1146 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000211992_100011215271 [0,1,0,0,0,0|2,0,0]=3 1147 B12R0.285 CCCC(=O)CCNC(=O)OCC 1458a_100000211992_200011445536 [0,1,0,0,0,0|2,0,1]=4 1148 B12R0.285 CCCC(=O)CCSC(=S)NCC 1458a_200009862762_100000210303 [0,1,0,0,0,0|3,0,0]=4 1149 B12R0.285 CCCC(=O)CNCC(=O)NCC 2230a_100016988866_100000747444 [0,1,0,0,0,0|3,0,0]=4 1150 B12R0.285 CCCC(=O)CSCC(=O)CCC 62a_100000747444_100000747444 [0,1,0,0,0,0|2,0,1]=4 1151 B12R0.285 CCCC(=O)CSCC(=O)NCC 62a_100000183381_100000747444 [0,1,0,0,0,0|3,0,0]=4 1152 B12R0.285 CCCC(=O)CSCC(=O)NCC 62a_100000747444_100000183381 [0,1,0,0,0,0|3,0,0]=4 1153 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000188475_100000747444 [0,1,0,0,0,0|3,0,0]=4 1154 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000747444_100000188475 [0,1,0,0,0,0|3,0,0]=4 1155 B12R0.285 CCCC(=O)NCCC(=O)NCC 11a_100025743525_100000211992 [0,1,0,0,0,0|2,0,0]=3 1156 B12R0.285 CCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000211992 [0,1,0,0,0,0|2,0,0]=3 1157 B12R0.285 CCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000211992 [0,1,0,0,0,0|2,0,0]=3 1158 B12R0.285 CCCC(=O)NCCC(=O)NCC 527a_100025743525_100000211992 [0,1,0,0,0,0|2,0,0]=3 1159 B12R0.285 CCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211992 [0,1,0,0,0,0|2,0,0]=3 1160 B12R0.285 CCCC(=O)OCNC(C)CCC 2230a_100000741246_100000034017 [0,1,0,0,0,0|1,0,2]=4 1161 B12R0.285 CCCC(=O)OCOC(C)CCC 34a_100000764384_100000034017 [0,1,0,0,0,0|1,0,2]=4 1162 B12R0.285 CCCC(=O)OCSC(C)CCC 62a_100000766640_100000034017 [0,1,0,0,0,0|1,0,2]=4 1163 B12R0.285 CCCC(C)OCCC(=O)NCC 7a_100000764384_100000737597 [0,1,0,0,0,0|2,0,1]=4 1164 B12R0.285 CCCC(C)OCCC(=O)OCC 34a_100000764384_100000765890 [0,1,0,0,0,0|2,0,1]=4 1165 B12R0.285 CCCC(C)OCCC(=O)OCC 7a_100000764384_100011206558 [0,1,0,0,0,0|2,0,1]=4 1166 B12R0.285 CCNC(=O)CCCC(=O)CCF 1458a_100000199580_100011217306 [0,1,0,0,0,0|3,0,0]=4 1167 B12R0.285 CCNC(=O)CCCC(=O)CCO 1458a_100000199580_100000211926 [0,1,0,0,0,0|3,0,0]=4 1168 B12R0.285 CCNC(=O)CCCC(=O)NCC 11a_100015525214_100000199580 [0,1,0,0,0,0|3,0,0]=4 1169 B12R0.285 CCNC(=O)CCCC(=O)NCC 240690a_100015525214_100000199580 [0,1,0,0,0,0|3,0,0]=4 1170 B12R0.285 CCNC(=O)CCCC(=O)NCC 527a_100015525214_100000199580 [0,1,0,0,0,0|3,0,0]=4 1171 B12R0.285 CCNC(=O)CCCC(=O)OCC 11a_100015525214_100000210991 [0,1,0,0,0,0|3,0,0]=4 1172 B12R0.285 CCNC(=O)CCCC(=O)OCC 240690a_100015525214_100000210991 [0,1,0,0,0,0|3,0,0]=4 1173 B12R0.285 CCNC(=O)CCCC(=O)OCC 527a_100015525214_100000210991 [0,1,0,0,0,0|3,0,0]=4 1174 B12R0.285 CCNC(=O)CCNC(=O)CCO 240690a_100025743525_100011216618 [0,1,0,0,0,0|3,0,0]=4 1175 B12R0.285 CCNC(=O)CCNC(=O)COC 11a_100025743525_100000210968 [0,1,0,0,0,0|3,0,0]=4 1176 B12R0.285 CCNC(=O)CCNC(=O)COC 1626a_100025743525_100000210968 [0,1,0,0,0,0|3,0,0]=4 1177 B12R0.285 CCNC(=O)CCNC(=O)COC 240690a_100025743525_100000210968 [0,1,0,0,0,0|3,0,0]=4 1178 B12R0.285 CCNC(=O)CCNC(=O)COC 527a_100025743525_100000210968 [0,1,0,0,0,0|3,0,0]=4 1179 B12R0.285 CCNC(=O)CCNC(=O)CSC 11a_100025743525_100000184570 [0,1,0,0,0,0|3,0,0]=4 1180 B12R0.285 CCNC(=O)CCNC(=O)CSC 1626a_100025743525_100000184570 [0,1,0,0,0,0|3,0,0]=4 1181 B12R0.285 CCNC(=O)CCNC(=O)CSC 240690a_100025743525_100000184570 [0,1,0,0,0,0|3,0,0]=4 1182 B12R0.285 CCNC(=O)CCNC(=O)CSC 527a_100025743525_100000184570 [0,1,0,0,0,0|3,0,0]=4 1183 B12R0.285 CCNC(=O)CCNC(=O)NCC 2708a_100015525214_100025743525 [0,1,0,0,0,0|3,0,0]=4 1184 B12R0.285 CCNC(=O)CCNC(=O)NCC 273464a_100015525214_100025743525 [0,1,0,0,0,0|3,0,0]=4 1185 B12R0.285 CCNC(=O)CCNC(=O)NCC 273464a_100025743525_100015525214 [0,1,0,0,0,0|3,0,0]=4 1186 B12R0.285 CCNC(=O)CCNC(=O)NCC 512a_100015525214_100025743525 [0,1,0,0,0,0|3,0,0]=4 1187 B12R0.285 CCNC(=O)CCNC(=O)NCC 512a_100025743525_100015525214 [0,1,0,0,0,0|3,0,0]=4 1188 B12R0.285 CCOC(=O)CCCC(=O)CCF 1458a_100000210991_100011217306 [0,1,0,0,0,0|3,0,0]=4 1189 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100000210991_100000211926 [0,1,0,0,0,0|3,0,0]=4 1190 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100011216618_100011215271 [0,1,0,0,0,0|3,0,0]=4 1191 B12R0.285 CCOC(=O)CCCC(=O)COC 1458a_100000210968_100011215271 [0,1,0,0,0,0|3,0,0]=4 1192 B12R0.285 CCOC(=O)CCCC(=O)CSC 1458a_100000184570_100011215271 [0,1,0,0,0,0|3,0,0]=4 1193 B12R0.285 CCOC(=O)CCNC(=O)COC 188690a_100000746078_100000210968 [0,1,0,0,0,0|3,0,0]=4 1194 B12R0.285 CCOC(=O)CCNC(=O)CSC 188690a_100000746078_100000184570 [0,1,0,0,0,0|3,0,0]=4 1195 B12R0.434 CC/C=C\CCOC(C)(C)CCBr 7a_100000702414_100015370543 [0,1,0,0,0,0|2,0,1]=4 1196 B12R0.434 CC/C=C\CCOC(C)(C)CCC 7a_100000748436_100015370543 [0,1,0,0,0,0|1,0,1]=3 1197 B12R1.28 CC/C=C\CN1CCNC(=O)C1 2230a_100000184651_100103147603 [0,0,0,1,0,0|3,0,0]=4 1198 B12R1.28 CC/C=C\CN1CCOC(=O)C1 2230a_100000131268_100103147603 [0,0,0,1,0,0|3,0,0]=4 1199 B12R1.28 CCCOCC1CCCC(=O)N1 34a_200000102386_100000210303 [0,0,0,1,0,0|2,0,1]=4 1200 B12R1.32 CC(CCO)OC1CC=CCC1 34a_100000073881_100009893172 [0,0,0,1,0,0|2,0,1]=4 1201 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211666_100000210303 [0,0,0,1,0,0|1,0,2]=4 1202 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211992_100000211423 [0,0,0,1,0,0|1,0,2]=4 1203 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000211992_100000741521 [0,0,0,1,0,0|2,0,1]=4 1204 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000741523_100000210303 [0,0,0,1,0,0|2,0,1]=4 1205 B12R1.32 CCCC(=O)CC1CCOCC1 1458a_100000211992_100000754603 [0,0,0,1,0,0|2,0,1]=4 1206 B12R1.32 CCCC(=O)CC1CCOCC1 1458a_100000757261_100000210303 [0,0,0,1,0,0|2,0,1]=4 1207 B12R1.32 CCCC(=O)CN1CC=CCC1 2230a_100000698166_100000747444 [0,0,0,1,0,0|2,0,0]=3 1208 B12R1.32 CCCC(=O)CN1CC=CCC1 269982a_100000698166_100000747444 [0,0,0,1,0,0|2,0,0]=3 1209 B12R1.32 CCCC(=O)NC1CCCCC1 11a_100000182618_100000211992 [0,0,0,1,0,0|1,0,2]=4 1210 B12R1.32 CCCC(=O)NC1CCCCC1 1626a_100000182618_100000211992 [0,0,0,1,0,0|1,0,2]=4 1211 B12R1.32 CCCC(=O)NC1CCCCC1 240690a_100000182618_100000211992 [0,0,0,1,0,0|1,0,2]=4 1212 B12R1.32 CCCC(=O)NC1CCCCC1 527a_100000182618_100000211992 [0,0,0,1,0,0|1,0,2]=4 1213 B12R1.32 CCCC(=O)NC1CCCOC1 11a_100000719290_100000211992 [0,0,0,1,0,0|2,0,1]=4 1214 B12R1.32 CCCC(=O)NC1CCCOC1 1626a_100000719290_100000211992 [0,0,0,1,0,0|2,0,1]=4 1215 B12R1.32 CCCC(=O)NC1CCCOC1 240690a_100000719290_100000211992 [0,0,0,1,0,0|2,0,1]=4 1216 B12R1.32 CCCC(=O)NC1CCCOC1 527a_100000719290_100000211992 [0,0,0,1,0,0|2,0,1]=4 1217 B12R1.32 CCCC(=O)NC1CCOCC1 11a_100000741149_100000211992 [0,0,0,1,0,0|2,0,1]=4 1218 B12R1.32 CCCC(=O)NC1CCOCC1 1626a_100000741149_100000211992 [0,0,0,1,0,0|2,0,1]=4 1219 B12R1.32 CCCC(=O)NC1CCOCC1 240690a_100000741149_100000211992 [0,0,0,1,0,0|2,0,1]=4 1220 B12R1.32 CCCC(=O)NC1CCOCC1 527a_100000741149_100000211992 [0,0,0,1,0,0|2,0,1]=4 1221 B12R1.32 CCCC(=O)NC1CCSCC1 11a_100000748639_100000211992 [0,0,0,1,0,0|2,0,1]=4 1222 B12R1.32 CCCC(=O)NC1CCSCC1 1626a_100000748639_100000211992 [0,0,0,1,0,0|2,0,1]=4 1223 B12R1.32 CCCC(=O)NC1CCSCC1 240690a_100000748639_100000211992 [0,0,0,1,0,0|2,0,1]=4 1224 B12R1.32 CCCC(=O)NC1CCSCC1 527a_100000748639_100000211992 [0,0,0,1,0,0|2,0,1]=4 1225 B12R1.32 CCCC(C)OC1CC=CCC1 34a_100000073881_100000766640 [0,0,0,1,0,0|1,0,1]=3 1226 B12R1.32 CCCN(C)CC1CC=CCC1 270004a_100000747261_100000189434 [0,0,0,1,0,0|3,0,0]=4 1227 B12R1.32 CCNC(=O)CN1CC=CCC1 2230a_100000698166_100000183381 [0,0,0,1,0,0|3,0,0]=4 1228 B12R1.32 CCNC(=O)CN1CC=CCC1 269982a_100000698166_100000183381 [0,0,0,1,0,0|3,0,0]=4 1229 B12R1.32 CCNC(=O)CN1CC=CCC1 34a_100000698166_100000183381 [0,0,0,1,0,0|3,0,0]=4 1230 B12R1.32 CCOC(=O)CN1CC=CCC1 2230a_100000698166_100000188475 [0,0,0,1,0,0|3,0,0]=4 1231 B12R1.32 CCOC(=O)CN1CC=CCC1 269982a_100000698166_100000188475 [0,0,0,1,0,0|3,0,0]=4 1232 B12R1.32 CCOC(=O)CN1CC=CCC1 34a_100000698166_100000188475 [0,0,0,1,0,0|3,0,0]=4 1233 B12R1.32 CNCC(=O)OC1CCCCC1 2230a_106832991635_100000041653 [0,0,0,1,0,0|1,0,2]=4 1234 B12R1.32 CNCC(=O)OC1CCCCC1 34a_100102657272_100000041653 [0,0,0,1,0,0|1,0,2]=4 1235 B12R1.32 CNCC(=O)OC1CCCCC1 7a_106832991635_100000041653 [0,0,0,1,0,0|1,0,2]=4 1236 B12R1.32 COCC(=O)OC1CCCCC1 34a_100138415774_100000041653 [0,0,0,1,0,0|1,0,2]=4 1237 B12R1.32 COCC(C)OC1CC=CCC1 34a_100000073881_100000765312 [0,0,0,1,0,0|2,0,1]=4 1238 B12R1.32 CSCC(=O)OC1CCCCC1 62a_100000041653_200000210301 [0,0,0,1,0,0|1,0,2]=4 1239 B12R1.32 CSCC(=O)OC1CCCCC1 62a_200000210301_100000041653 [0,0,0,1,0,0|1,0,2]=4 1240 B12R1.32 [13CH3]SCC(=O)OC1CCCCC1 62a_100000041653_200025704644 [0,0,0,1,0,0|1,0,2]=4 1241 B12R1.32 [13CH3]SCC(=O)OC1CCCCC1 62a_200025704644_100000041653 [0,0,0,1,0,0|1,0,2]=4 1242 B12R1.37 CC/C=C\CCNC1CCCC1 2230a_100000211070_100015370543 [0,0,0,1,0,0|2,0,1]=4 1243 B12R1.37 CC/C=C\CCNC1CCCC1 34a_100000211070_100015370543 [0,0,0,1,0,0|2,0,1]=4 1244 B12R1.37 CC/C=C\CCOC1CCCC1 34a_100000210269_100015370543 [0,0,0,1,0,0|1,0,1]=3 1245 B12R1.37 CC/C=C\CCOC1CCCC1 34a_100016288707_100000179811 [0,0,0,1,0,0|1,0,1]=3 1246 B12R1.37 CC/C=C\CCOC1CCCC1 7a_100000210269_100015370543 [0,0,0,1,0,0|1,0,1]=3 1247 B12R1.37 CC/C=C\CCOC1CCCC1 7a_100016288707_100000179811 [0,0,0,1,0,0|1,0,1]=3 1248 B12R1.37 CC/C=C\CCOC1CCCO1 34a_100000085407_100015370543 [0,0,0,1,0,0|0,0,2]=3 1249 B12R1.37 CC/C=C\CCOC1CCOC1 34a_100016288707_100000690089 [0,0,0,1,0,0|2,0,1]=4 1250 B12R1.37 CC/C=C\CCOC1CCOC1 7a_100016288707_100000731011 [0,0,0,1,0,0|2,0,1]=4 1251 B12R1.37 CC/C=C\CCOC1CCSC1 7a_100011232664_100015370543 [0,0,0,1,0,0|2,0,1]=4 1252 B12R1.37 CC/C=C\CCO[C@H]1CCOC1 34a_100000717292_100015370543 [0,0,0,1,0,0|2,0,1]=4 1253 B12R1.37 CC/C=C\CCSC1CCCC1 62a_100011217020_100015370543 [0,0,0,1,0,0|1,1,1]=4 1254 B12R1.37 CC/C=C\CCSC1CCCC1 62a_100015370543_100000179811 [0,0,0,1,0,0|1,1,1]=4 1255 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211120_100000210303 [0,0,0,1,0,0|1,0,2]=4 1256 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211992_100000760354 [0,0,0,1,0,0|1,0,2]=4 1257 B12R1.51 CCCC(=O)CCC1CCCO1 1458a_100011247709_100000210303 [0,0,0,1,0,0|2,0,1]=4 1258 B12R1.51 CCCC(=O)NCC1CCCC1 11a_100000737975_100000211992 [0,0,0,1,0,0|1,0,2]=4 1259 B12R1.51 CCCC(=O)NCC1CCCC1 1626a_100000737975_100000211992 [0,0,0,1,0,0|1,0,2]=4 1260 B12R1.51 CCCC(=O)NCC1CCCC1 240690a_100000737975_100000211992 [0,0,0,1,0,0|1,0,2]=4 1261 B12R1.51 CCCC(=O)NCC1CCCC1 527a_100000737975_100000211992 [0,0,0,1,0,0|1,0,2]=4 1262 B12R1.51 CCCC(=O)NCC1CCOC1 11a_100000737293_100000211992 [0,0,0,1,0,0|2,0,1]=4 1263 B12R1.51 CCCC(=O)NCC1CCOC1 1626a_100000737293_100000211992 [0,0,0,1,0,0|2,0,1]=4 1264 B12R1.51 CCCC(=O)NCC1CCOC1 240690a_100000737293_100000211992 [0,0,0,1,0,0|2,0,1]=4 1265 B12R1.51 CCCC(=O)NCC1CCOC1 527a_100000737293_100000211992 [0,0,0,1,0,0|2,0,1]=4 1266 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000211992 [0,0,0,1,0,0|2,0,1]=4 1267 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000211992 [0,0,0,1,0,0|2,0,1]=4 1268 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000211992 [0,0,0,1,0,0|2,0,1]=4 1269 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000211992 [0,0,0,1,0,0|2,0,1]=4 1270 B12R1.51 CCCC(=O)NN=C1C=CCC1 4a_100000189770_100000239507 [0,0,0,1,0,0|2,0,1]=4 1271 B12R1.51 CCCC(=O)OCN1CC=CC1 269982a_100015195280_100000034017 [0,0,0,1,0,0|1,0,2]=4 1272 B12R1.51 CCCC(=O)OCN1CCCC1 2230a_100000188435_100000034017 [0,0,0,1,0,0|1,0,2]=4 1273 B12R1.51 CCCC(=O)OCN1CCCC1 269982a_100000188435_100000034017 [0,0,0,1,0,0|1,0,2]=4 1274 B12R1.51 CCCC(=O)OCN1CCSC1 2230a_100011215254_100000034017 [0,0,0,1,0,0|2,0,1]=4 1275 B12R1.51 CCCC(=O)OCN1CCSC1 269982a_100011215254_100000034017 [0,0,0,1,0,0|2,0,1]=4 1276 B12R1.308 CCCC(=O)C1CCCCC1C 1458a_100011215568_100000210303 [0,0,0,1,0,0|1,0,2]=4 1277 B12R1.308 CCCC(=O)N1CCCCC1C 11a_100000211376_100000211992 [0,0,0,1,0,0|1,0,2]=4 1278 B12R1.308 CCCC(=O)N1CCCCC1C 1626a_100000211376_100000211992 [0,0,0,1,0,0|1,0,2]=4 1279 B12R1.308 CCCC(=O)N1CCCCC1C 240690a_100000211376_100000211992 [0,0,0,1,0,0|1,0,2]=4 1280 B12R1.308 CCCC(=O)N1CCCCC1C 527a_100000211376_100000211992 [0,0,0,1,0,0|1,0,2]=4 1281 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000211992 [0,0,0,1,0,0|2,0,1]=4 1282 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000211992 [0,0,0,1,0,0|2,0,1]=4 1283 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000211992 [0,0,0,1,0,0|2,0,1]=4 1284 B12R1.310 CCCC(=O)OCNCC1CC1 2230a_100000735609_100000034017 [0,0,0,1,0,0|1,0,2]=4 1285 B12R1.310 CCCC(=O)OCNCC1CC1 34a_100000735609_100000034017 [0,0,0,1,0,0|1,0,2]=4 1286 B12R1.310 CCCC(=O)OCOCC1CC1 34a_100000211283_100000034017 [0,0,0,1,0,0|1,0,2]=4 1287 B12R1.310 CCCC(=O)OCSCC1CC1 62a_100000756562_100000034017 [0,0,0,1,0,0|1,0,2]=4 1288 B12R1.311 CCCC(=O)OCN1CCC1C 269982a_100000755817_100000034017 [0,0,0,1,0,0|1,0,2]=4 1289 B12R1.311 CCCC(=O)OCN1CCC1C 34a_100000755817_100000034017 [0,0,0,1,0,0|1,0,2]=4 1290 B12R1.315 CCCC(=O)NCCN1CCC1 240690a_100000691440_100000211992 [0,0,0,1,0,0|2,0,1]=4 1291 B12R1.315 CCCC(=O)OCNC1CCC1 2230a_100000749019_100000034017 [0,0,0,1,0,0|1,0,2]=4 1292 B12R1.315 CCCC(=O)OCNC1CCC1 34a_100000749019_100000034017 [0,0,0,1,0,0|1,0,2]=4 1293 B12R1.315 CCCC(=O)OCOC1CCC1 34a_100000748187_100000034017 [0,0,0,1,0,0|1,0,2]=4 1294 B12R1.316 CCCC(=O)C1CCCN1CC 1458a_106256033941_100000210303 [0,0,0,1,0,0|2,0,1]=4 1295 B12R1.316 CCCC(=O)N1CC=CC1CC 11a_100000730860_100000211992 [0,0,0,1,0,0|1,0,2]=4 1296 B12R1.316 CCCC(=O)N1CC=CC1CC 1626a_100000730860_100000211992 [0,0,0,1,0,0|1,0,2]=4 1297 B12R1.316 CCCC(=O)N1CC=CC1CC 240690a_100000730860_100000211992 [0,0,0,1,0,0|1,0,2]=4 1298 B12R1.316 CCCC(=O)N1CC=CC1CC 527a_100000730860_100000211992 [0,0,0,1,0,0|1,0,2]=4 1299 B12R1.316 CCCC(=O)N1CCCC1CC 11a_100000754278_100000211992 [0,0,0,1,0,0|1,0,2]=4 1300 B12R1.316 CCCC(=O)N1CCCC1CC 1626a_100000754278_100000211992 [0,0,0,1,0,0|1,0,2]=4 1301 B12R1.316 CCCC(=O)N1CCCC1CC 240690a_100000754278_100000211992 [0,0,0,1,0,0|1,0,2]=4 1302 B12R1.316 CCCC(=O)N1CCCC1CC 527a_100000754278_100000211992 [0,0,0,1,0,0|1,0,2]=4 1303 B12R1.340 CCC=Cc1noc(n1)CCC 270196a_100016260345_100000211992 [0,0,0,1,0,0|2,0,1]=4 1304 B12R1.372 CC/C=C\CCN1CCC[C@@H]1C 2230a_100020605311_100015370543 [0,0,0,1,0,0|2,0,1]=4 1305 B12R1.372 CC/C=C\CCN1CCC[C@@H]1C 269982a_100020605311_100015370543 [0,0,0,1,0,0|2,0,1]=4 1306 B12R1.372 CC/C=C\CCN1CCC[C@H]1C 2230a_100015189458_100015370543 [0,0,0,1,0,0|2,0,1]=4 1307 B12R1.372 CC/C=C\CCN1CCC[C@H]1C 269982a_100015189458_100015370543 [0,0,0,1,0,0|2,0,1]=4 1308 B12R1.372 CC/C=C\CCN1CCC[C@H]1C 34a_100015189458_100015370543 [0,0,0,1,0,0|2,0,1]=4 1309 B12R1.372 CC/C=C\CNC1CCNC1=O 2230a_100016995588_100103147603 [0,0,0,1,0,0|3,0,0]=4 1310 B12R1.372 CC/C=C\CNC1CCNC1=O 34a_100016995588_100103147603 [0,0,0,1,0,0|3,0,0]=4 1311 B12R1.372 CC/C=C\COC1CCCC1=O 34a_100016268518_100000709159 [0,0,0,1,0,0|2,0,0]=3 1312 B12R1.372 CC/C=C\COC1CCCC1=O 34a_200000719330_100103147603 [0,0,0,1,0,0|2,0,0]=3 1313 B12R1.372 CC/C=C\COC1CCOC1=O 34a_100016268518_100000211211 [0,0,0,1,0,0|3,0,0]=4 1314 B12R1.372 CC/C=C\CO[C@H]1CCNC1=O 34a_100000688343_100103147603 [0,0,0,1,0,0|3,0,0]=4 1315 B12R1.372 CC/C=C\CSC1CCCC1=O 62a_100000211823_100103147603 [0,0,0,1,0,0|2,0,0]=3 1316 B12R1.372 CC/C=C\CSC1CCCC1=O 62a_100103147603_100000211823 [0,0,0,1,0,0|2,0,0]=3 1317 B12R1.372 CC/C=C\CSC1CCOC1=O 62a_100000211211_100103147603 [0,0,0,1,0,0|3,0,0]=4 1318 B12R1.372 CC/C=C\CSC1CCOC1=O 62a_100103147603_100000211211 [0,0,0,1,0,0|3,0,0]=4 1319 B12R1.372 CCCNCCN1CCCC1=O 2230a_100011200922_100000210303 [0,0,0,1,0,0|2,0,1]=4 1320 B12R1.372 CCCOCCN1CCCC1=O 34a_100000210258_100000739059 [0,0,0,1,0,0|2,0,1]=4 1321 B12R1.372 CCCOCCN1CCCC1=O 34a_100000211209_100000210303 [0,0,0,1,0,0|2,0,1]=4 1322 B12R1.372 CCCOCCN1CCCC1=O 7a_100000211209_100000210303 [0,0,0,1,0,0|2,0,1]=4 1323 B12R1.372 CCCSCCN1CCCC1=O 62a_100000210303_100000739059 [0,0,0,1,0,0|2,0,1]=4 1324 B12R1.372 CCCSCCN1CCCC1=O 62a_100000739059_100000210303 [0,0,0,1,0,0|2,0,1]=4 1325 B12R1.372 CCNCCCN1CCCC1=O 2230a_100000210347_100000210202 [0,0,0,1,0,0|2,0,1]=4 1326 B12R1.372 CCNCCCN1CCCC1=O 34a_100000210347_100000210202 [0,0,0,1,0,0|2,0,1]=4 1327 B12R1.372 CCOCCCN1CCCC1=O 34a_100011216539_100000210202 [0,0,0,1,0,0|2,0,1]=4 1328 B12R1.372 CCOCCCN1CCCC1=O 7a_100011216539_100000210202 [0,0,0,1,0,0|2,0,1]=4 1329 B12R1.542 CCCN1CCNC(=O)C1CC 2230a_100000187962_100000210303 [0,0,0,1,0,0|2,0,1]=4 1330 B12R1.542 CCCN1CCNC(=O)C1CC 269982a_100000187962_100000210303 [0,0,0,1,0,0|2,0,1]=4 1331 B12R1.542 CCCN1CCNC(=O)C1CC 34a_100000187962_100000210303 [0,0,0,1,0,0|2,0,1]=4 1332 B12R1.923 C/C=C/COCOC(=O)C1CC1 34a_100016270725_100000140896 [0,0,0,1,0,0|1,0,2]=4 1333 B12R1.923 C/C=C/CSCOC(=O)C1CC1 62a_100000140896_100102629194 [0,0,0,1,0,0|1,0,2]=4 1334 B12R1.923 C/C=C/CSCOC(=O)C1CC1 62a_100102629194_100000140896 [0,0,0,1,0,0|1,0,2]=4 1335 B12R1.923 CC/C=C\CCNC(C)C1CC1 2230a_100000700016_100015370543 [0,0,0,1,0,0|2,0,1]=4 1336 B12R1.923 CC/C=C\CCNC(C)C1CC1 34a_100000700016_100015370543 [0,0,0,1,0,0|2,0,1]=4 1337 B12R1.923 CC/C=C\CCOC(C)C1CC1 34a_100000744524_100015370543 [0,0,0,1,0,0|1,0,1]=3 1338 B12R1.923 CC/C=C\CCOC(C)C1CC1 7a_100000744524_100015370543 [0,0,0,1,0,0|1,0,1]=3 1339 B12R1.923 CC/C=C\COCC(=O)C1CC1 34a_100000686663_100103147603 [0,0,0,1,0,0|2,0,0]=3 1340 B12R1.923 CC/C=C\COCC(=O)C1CC1 34a_100016268518_100000746382 [0,0,0,1,0,0|2,0,0]=3 1341 B12R1.923 CC/C=C\CSCC(=O)C1CC1 62a_100000746382_100103147603 [0,0,0,1,0,0|2,0,0]=3 1342 B12R1.923 CC/C=C\CSCC(=O)C1CC1 62a_100103147603_100000746382 [0,0,0,1,0,0|2,0,0]=3 1343 B12R1.923 CC=CCSCOC(=O)C1CC1 62a_100000070051_100000140896 [0,0,0,1,0,0|1,0,2]=4 1344 B12R1.923 CC=CCSCOC(=O)C1CC1 62a_100000140896_100000070051 [0,0,0,1,0,0|1,0,2]=4 1345 B12R1.923 CCC=CC=NNC(=O)C1CC1 4a_100000183419_100011216943 [0,0,0,1,0,0|2,0,1]=4 1346 B12R1.923 CCCCCCCC(=O)C1CC1 1458a_100000210395_100000210614 [0,0,0,1,0,0|1,0,2]=4 1347 B12R1.923 CCCCCCNC(=O)C1CC1 11a_100000210581_100000210395 [0,0,0,1,0,0|1,0,2]=4 1348 B12R1.923 CCCCCCNC(=O)C1CC1 1626a_100000210581_100000210395 [0,0,0,1,0,0|1,0,2]=4 1349 B12R1.923 CCCCCCNC(=O)C1CC1 240690a_100000210581_100000210395 [0,0,0,1,0,0|1,0,2]=4 1350 B12R1.923 CCCCCCNC(=O)C1CC1 527a_100000210581_100000210395 [0,0,0,1,0,0|1,0,2]=4 1351 B12R1.923 CCCCNCOC(=O)C1CC1 2230a_100000102301_100000140896 [0,0,0,1,0,0|1,0,2]=4 1352 B12R1.923 CCCCOCOC(=O)C1CC1 34a_100000210227_100000140896 [0,0,0,1,0,0|1,0,2]=4 1353 B12R1.923 CCCCSCOC(=O)C1CC1 62a_100000140896_100000210210 [0,0,0,1,0,0|1,0,2]=4 1354 B12R1.923 CCCCSCOC(=O)C1CC1 62a_100000210211_100000140896 [0,0,0,1,0,0|1,0,2]=4 1355 B12R1.923 CCCOCCNC(=O)C1CC1 1626a_100161115042_100000210395 [0,0,0,1,0,0|2,0,1]=4 1356 B12R1.923 CCCOCCNC(=O)C1CC1 240690a_100161115042_100000210395 [0,0,0,1,0,0|2,0,1]=4 1357 B12R1.923 CCCOCCNC(=O)C1CC1 527a_100161115042_100000210395 [0,0,0,1,0,0|2,0,1]=4 1358 B12R1.923 CCCSCCNC(=O)C1CC1 11a_100020603323_100000210395 [0,0,0,1,0,0|2,0,1]=4 1359 B12R1.923 CCCSCCNC(=O)C1CC1 240690a_100020603323_100000210395 [0,0,0,1,0,0|2,0,1]=4 1360 B12R1.923 CCCSCCNC(=O)C1CC1 527a_100020603323_100000210395 [0,0,0,1,0,0|2,0,1]=4 1361 B12R1.923 CCOCCCNC(=O)C1CC1 11a_100000210961_100000210395 [0,0,0,1,0,0|2,0,1]=4 1362 B12R1.923 CCOCCCNC(=O)C1CC1 1626a_100000210961_100000210395 [0,0,0,1,0,0|2,0,1]=4 1363 B12R1.923 CCOCCCNC(=O)C1CC1 240690a_100000210961_100000210395 [0,0,0,1,0,0|2,0,1]=4 1364 B12R1.923 CCOCCCNC(=O)C1CC1 527a_100000210961_100000210395 [0,0,0,1,0,0|2,0,1]=4 1365 B12R1.923 CCOCSCOC(=O)C1CC1 62a_100000140896_100000739092 [0,0,0,1,0,0|2,0,1]=4 1366 B12R1.923 CCOCSCOC(=O)C1CC1 62a_100000739092_100000140896 [0,0,0,1,0,0|2,0,1]=4 1367 B12R1.1564 C#CCC(=O)C1CCC=CCC1 1458a_100000048548_100000184674 [0,0,0,1,0,0|1,0,2]=4 1368 B12R1.1564 C=CCC(=O)C1CCC=CCC1 1458a_100000048548_100000210623 [0,0,0,1,0,0|1,0,2]=4 1369 B12R1.1564 CCCC(=O)C1CCC=CCC1 1458a_100000048548_100000210303 [0,0,0,1,0,0|1,0,0]=2 1370 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000211992_100011217769 [0,0,0,1,0,0|1,0,2]=4 1371 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000749507_100000210303 [0,0,0,1,0,0|1,0,2]=4 1372 B12R1.1564 CCCC(=O)N1CCCCCC1 11a_100000185865_100000211992 [0,0,0,1,0,0|1,0,2]=4 1373 B12R1.1564 CCCC(=O)N1CCCCCC1 1626a_100000185865_100000211992 [0,0,0,1,0,0|1,0,2]=4 1374 B12R1.1564 CCCC(=O)N1CCCCCC1 240690a_100000185865_100000211992 [0,0,0,1,0,0|1,0,2]=4 1375 B12R1.1564 CCCC(=O)N1CCCCCC1 527a_100000185865_100000211992 [0,0,0,1,0,0|1,0,2]=4 1376 B12R1.1564 CCCC(=O)N1CCCOCC1 11a_100000685342_100000211992 [0,0,0,1,0,0|2,0,1]=4 1377 B12R1.1564 CCCC(=O)N1CCCOCC1 1626a_100000685342_100000211992 [0,0,0,1,0,0|2,0,1]=4 1378 B12R1.1564 CCCC(=O)N1CCCOCC1 240690a_100000685342_100000211992 [0,0,0,1,0,0|2,0,1]=4 1379 B12R1.1564 CCCC(=O)N1CCCOCC1 527a_100000685342_100000211992 [0,0,0,1,0,0|2,0,1]=4 1380 B12R1.1564 CCNC(=O)C1CCC=CCC1 11a_100015525214_100000048548 [0,0,0,1,0,0|2,0,0]=3 1381 B12R1.1564 CCNC(=O)C1CCC=CCC1 240690a_100015525214_100000048548 [0,0,0,1,0,0|2,0,0]=3 1382 B12R1.1564 CCNC(=O)C1CCC=CCC1 527a_100015525214_100000048548 [0,0,0,1,0,0|2,0,0]=3 1383 B12R1.1564 CNNC(=O)C1CCC=CCC1 22a_100016993582_100000048548 [0,0,0,1,0,0|3,0,0]=4 1384 B12R1.1564 N#CCC(=O)C1CCC=CCC1 1458a_100000048548_100011214920 [0,0,0,1,0,0|2,0,1]=4 1385 B12R1.1564 O=C(CCF)C1CCC=CCC1 1458a_100000048548_100011217306 [0,0,0,1,0,0|2,0,0]=3 1386 B12R1.1564 O=C(CCO)C1CCC=CCC1 1458a_100000048548_100000211926 [0,0,0,1,0,0|2,0,0]=3 1387 B12R1.1996 CC/C=C\CCNC1(CCC1)C 2230a_100000692455_100015370543 [0,0,0,1,0,0|2,0,1]=4 1388 B12R1.1996 CC/C=C\CCNC1(CCC1)C 34a_100000692455_100015370543 [0,0,0,1,0,0|2,0,1]=4 1389 B12R1.1996 CC/C=C\CCOC1(CCC1)C 34a_100000759064_100015370543 [0,0,0,1,0,0|1,0,1]=3 1390 B12R1.1996 CC/C=C\CCOC1(CCC1)C 7a_100000759064_100015370543 [0,0,0,1,0,0|1,0,1]=3 1391 B12R1.1996 CC/C=C\CCOC1(CSC1)C 7a_100016018533_100015370543 [0,0,0,1,0,0|2,0,1]=4 1392 B9R0.5 C#CCC(=O)C/C=C/CC 1458a_100016274230_100000184674 [2,0,0,0,0,0|0,0,2]=4 1393 B9R0.5 C#CCC(=O)C/C=C\CC 1458a_100011220946_100103147603 [2,0,0,0,0,0|0,0,2]=4 1394 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [2,0,0,0,0,0|0,0,2]=4 1395 B9R0.5 C/C=C/COC(C)CCC 34a_100000764384_100102629194 [2,0,0,0,0,0|1,0,1]=4 1396 B9R0.5 C/C=C/COC(C)CCC 34a_100016270725_100000766640 [2,0,0,0,0,0|1,0,1]=4 1397 B9R0.5 C/C=C/COC(C)CCC 7a_100000764384_100102629194 [2,0,0,0,0,0|1,0,1]=4 1398 B9R0.5 C=CCC(=O)C/C=C/CC 1458a_100016274230_100000210623 [2,0,0,0,0,0|0,0,2]=4 1399 B9R0.5 C=CCC(=O)C/C=C\CC 1458a_100000210193_100103147603 [2,0,0,0,0,0|0,0,2]=4 1400 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [2,0,0,0,0,0|1,0,0]=3 1401 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [2,0,0,0,0,0|1,0,0]=3 1402 B9R0.5 C=CCCCC(=O)CCF 1458a_100000766728_100011217306 [2,0,0,0,0,0|2,0,0]=4 1403 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [2,0,0,0,0,0|2,0,0]=4 1404 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [2,0,0,0,0,0|2,0,0]=4 1405 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [2,0,0,0,0,0|2,0,0]=4 1406 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [2,0,0,0,0,0|2,0,0]=4 1407 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [2,0,0,0,0,0|2,0,0]=4 1408 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [2,0,0,0,0,0|2,0,0]=4 1409 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [2,0,0,0,0,0|2,0,0]=4 1410 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [2,0,0,0,0,0|1,0,0]=3 1411 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [2,0,0,0,0,0|1,0,0]=3 1412 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [2,0,0,0,0,0|1,0,0]=3 1413 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [2,0,0,0,0,0|1,0,0]=3 1414 B9R0.5 C=CCCNC(=O)CCO 240690a_100015191253_100011216618 [2,0,0,0,0,0|2,0,0]=4 1415 B9R0.5 C=CCCNC(=O)COC 11a_100015191253_100000210968 [2,0,0,0,0,0|2,0,0]=4 1416 B9R0.5 C=CCCNC(=O)COC 1626a_100015191253_100000210968 [2,0,0,0,0,0|2,0,0]=4 1417 B9R0.5 C=CCCNC(=O)COC 240690a_100015191253_100000210968 [2,0,0,0,0,0|2,0,0]=4 1418 B9R0.5 C=CCCNC(=O)COC 527a_100015191253_100000210968 [2,0,0,0,0,0|2,0,0]=4 1419 B9R0.5 C=CCCNC(=O)CSC 11a_100015191253_100000184570 [2,0,0,0,0,0|2,0,0]=4 1420 B9R0.5 C=CCCNC(=O)CSC 1626a_100015191253_100000184570 [2,0,0,0,0,0|2,0,0]=4 1421 B9R0.5 C=CCCNC(=O)CSC 240690a_100015191253_100000184570 [2,0,0,0,0,0|2,0,0]=4 1422 B9R0.5 C=CCCNC(=O)CSC 527a_100015191253_100000184570 [2,0,0,0,0,0|2,0,0]=4 1423 B9R0.5 C=CCCNC(=O)NCC 2708a_100015191253_100015525214 [2,0,0,0,0,0|2,0,0]=4 1424 B9R0.5 C=CCCNC(=O)NCC 2708a_100015525214_100015191253 [2,0,0,0,0,0|2,0,0]=4 1425 B9R0.5 C=CCCNC(=O)NCC 273464a_100015191253_100015525214 [2,0,0,0,0,0|2,0,0]=4 1426 B9R0.5 C=CCCNC(=O)NCC 273464a_100015525214_100015191253 [2,0,0,0,0,0|2,0,0]=4 1427 B9R0.5 C=CCCNC(=O)NCC 512a_100015191253_100015525214 [2,0,0,0,0,0|2,0,0]=4 1428 B9R0.5 C=CCCNC(=O)NCC 512a_100015525214_100015191253 [2,0,0,0,0,0|2,0,0]=4 1429 B9R0.5 C=CCCOC(C)CCC 34a_100000764384_100000754431 [2,0,0,0,0,0|1,0,1]=4 1430 B9R0.5 C=CCCOC(C)CCC 34a_100011205117_100000766640 [2,0,0,0,0,0|1,0,1]=4 1431 B9R0.5 C=CCCOC(C)CCC 7a_100000764384_100000754431 [2,0,0,0,0,0|1,0,1]=4 1432 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [2,0,0,0,0,0|2,0,0]=4 1433 B9R0.5 C=CCNNC(=O)CCC 22a_100020588587_100000211992 [2,0,0,0,0,0|2,0,0]=4 1434 B9R0.5 C=CCSCC(=O)CCC 1458a_100000230395_100000210303 [2,0,0,0,0,0|2,0,0]=4 1435 B9R0.5 C=CCSCC(=O)CCC 62a_100000210623_100000747444 [2,0,0,0,0,0|2,0,0]=4 1436 B9R0.5 C=CCSCC(=O)CCC 62a_100000747444_100000210623 [2,0,0,0,0,0|2,0,0]=4 1437 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [2,0,0,0,0,0|1,0,1]=4 1438 B9R0.5 CC#CC(=O)C/C=C\CC 1458a_100000763181_100103147603 [2,0,0,0,0,0|0,0,2]=4 1439 B9R0.5 CC/C=C/CC(=O)CC#N 1458a_100016274230_100011214920 [2,0,0,0,0,0|1,0,1]=4 1440 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [2,0,0,0,0,0|0,0,0]=2 1441 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [2,0,0,0,0,0|1,0,0]=3 1442 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [2,0,0,0,0,0|1,0,0]=3 1443 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [2,0,0,0,0,0|1,0,0]=3 1444 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [2,0,0,0,0,0|1,0,0]=3 1445 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [2,0,0,0,0,0|1,0,0]=3 1446 B9R0.5 CC/C=C/CC(=O)NNC 22a_100016993582_100016274230 [2,0,0,0,0,0|2,0,0]=4 1447 B9R0.5 CC/C=C\CC(=O)CC#N 1458a_100051588842_100103147603 [2,0,0,0,0,0|1,0,1]=4 1448 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [2,0,0,0,0,0|0,0,0]=2 1449 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [2,0,0,0,0,0|1,0,0]=3 1450 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [2,0,0,0,0,0|1,0,0]=3 1451 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [2,0,0,0,0,0|1,0,0]=3 1452 B9R0.5 CC/C=C\CN(C)CCC 2230a_100000747261_100103147603 [2,0,0,0,0,0|2,0,0]=4 1453 B9R0.5 CC/C=C\CN(C)CCC 269982a_100000747261_100103147603 [2,0,0,0,0,0|2,0,0]=4 1454 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [2,0,0,0,0,0|0,0,2]=4 1455 B9R0.5 CC=CCOC(C)CCC 34a_100000764384_100000070051 [2,0,0,0,0,0|1,0,1]=4 1456 B9R0.5 CC=CCOC(C)CCC 7a_100000764384_100000070051 [2,0,0,0,0,0|1,0,1]=4 1457 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [2,0,0,0,0,0|0,0,2]=4 1458 B9R0.5 CCC=NNC(=O)CCC 4a_100000189770_100000210100 [2,0,0,0,0,0|2,0,0]=4 1459 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [2,0,0,0,0,0|1,0,1]=4 1460 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [2,0,0,0,0,0|1,0,1]=4 1461 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [2,0,0,0,0,0|1,0,1]=4 1462 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [2,0,0,0,0,0|1,0,1]=4 1463 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [2,0,0,0,0,0|1,0,1]=4 1464 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [2,0,0,0,0,0|1,0,1]=4 1465 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [2,0,0,0,0,0|1,0,1]=4 1466 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [2,0,0,0,0,0|1,0,1]=4 1467 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [2,0,0,0,0,0|1,0,0]=3 1468 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [2,0,0,0,0,0|1,0,0]=3 1469 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [2,0,0,0,0,0|1,0,0]=3 1470 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [2,0,0,0,0,0|1,0,0]=3 1471 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [2,0,0,0,0,0|2,0,0]=4 1472 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [2,0,0,0,0,0|2,0,0]=4 1473 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [2,0,0,0,0,0|2,0,0]=4 1474 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [2,0,0,0,0,0|2,0,0]=4 1475 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [2,0,0,0,0,0|2,0,0]=4 1476 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [2,0,0,0,0,0|2,0,0]=4 1477 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [2,0,0,0,0,0|2,0,0]=4 1478 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [2,0,0,0,0,0|2,0,0]=4 1479 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [2,0,0,0,0,0|2,0,0]=4 1480 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [2,0,0,0,0,0|2,0,0]=4 1481 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [2,0,0,0,0,0|2,0,0]=4 1482 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [2,0,0,0,0,0|2,0,0]=4 1483 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [2,0,0,0,0,0|2,0,0]=4 1484 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [2,0,0,0,0,0|1,0,0]=3 1485 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [2,0,0,0,0,0|1,0,0]=3 1486 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [2,0,0,0,0,0|1,0,0]=3 1487 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [2,0,0,0,0,0|2,0,0]=4 1488 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [2,0,0,0,0,0|0,0,2]=4 1489 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [2,0,0,0,0,0|0,0,1]=3 1490 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [2,0,0,0,0,0|0,0,1]=3 1491 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [2,0,0,0,0,0|1,0,1]=4 1492 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [2,0,0,0,0,0|1,0,1]=4 1493 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [2,0,0,0,0,0|1,0,1]=4 1494 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [2,0,0,0,0,0|1,0,1]=4 1495 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [2,0,0,0,0,0|1,0,1]=4 1496 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [2,0,0,0,0,0|1,0,1]=4 1497 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [2,0,0,0,0,0|1,0,1]=4 1498 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [2,0,0,0,0,0|1,0,1]=4 1499 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [2,0,0,0,0,0|1,0,1]=4 1500 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [2,0,0,0,0,0|1,0,1]=4 1501 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [2,0,0,0,0,0|1,0,1]=4 1502 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [2,0,0,0,0,0|1,0,1]=4 1503 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [2,0,0,0,0,0|1,0,1]=4 1504 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [2,0,0,0,0,0|1,0,1]=4 1505 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [2,0,0,0,0,0|1,0,1]=4 1506 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [2,0,0,0,0,0|1,0,1]=4 1507 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [2,0,0,0,0,0|1,0,0]=3 1508 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [2,0,0,0,0,0|1,0,0]=3 1509 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [2,0,0,0,0,0|1,0,0]=3 1510 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [2,0,0,0,0,0|1,0,0]=3 1511 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [2,0,0,0,0,0|2,0,0]=4 1512 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [2,0,0,0,0,0|2,0,0]=4 1513 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [2,0,0,0,0,0|2,0,0]=4 1514 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [2,0,0,0,0,0|2,0,0]=4 1515 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [2,0,0,0,0,0|2,0,0]=4 1516 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [2,0,0,0,0,0|2,0,0]=4 1517 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [2,0,0,0,0,0|2,0,0]=4 1518 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [2,0,0,0,0,0|2,0,0]=4 1519 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [2,0,0,0,0,0|2,0,0]=4 1520 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [2,0,0,0,0,0|2,0,0]=4 1521 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [2,0,0,0,0,0|2,0,0]=4 1522 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [2,0,0,0,0,0|2,0,0]=4 1523 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [2,0,0,0,0,0|2,0,0]=4 1524 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [2,0,0,0,0,0|2,0,0]=4 1525 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [2,0,0,0,0,0|2,0,0]=4 1526 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [2,0,0,0,0,0|2,0,0]=4 1527 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [2,0,0,0,0,0|2,0,0]=4 1528 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [2,0,0,0,0,0|2,0,0]=4 1529 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [2,0,0,0,0,0|2,0,0]=4 1530 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [2,0,0,0,0,0|2,0,0]=4 1531 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [2,0,0,0,0,0|2,0,0]=4 1532 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [2,0,0,0,0,0|2,0,0]=4 1533 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [2,0,0,0,0,0|2,0,0]=4 1534 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [2,0,0,0,0,0|1,0,0]=3 1535 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [2,0,0,0,0,0|1,0,0]=3 1536 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [2,0,0,0,0,0|1,0,0]=3 1537 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [2,0,0,0,0,0|1,0,0]=3 1538 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [2,0,0,0,0,0|1,0,0]=3 1539 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [2,0,0,0,0,0|1,0,0]=3 1540 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [2,0,0,0,0,0|1,0,0]=3 1541 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [2,0,0,0,0,0|1,0,0]=3 1542 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [2,0,0,0,0,0|1,0,1]=4 1543 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [2,0,0,0,0,0|1,0,1]=4 1544 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [2,0,0,0,0,0|1,0,1]=4 1545 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [2,0,0,0,0,0|1,0,1]=4 1546 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [2,0,0,0,0,0|2,0,0]=4 1547 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [2,0,0,0,0,0|1,0,1]=4 1548 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [2,0,0,0,0,0|1,0,1]=4 1549 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [2,0,0,0,0,0|1,0,1]=4 1550 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [2,0,0,0,0,0|1,0,1]=4 1551 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [2,0,0,0,0,0|2,0,0]=4 1552 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [2,0,0,0,0,0|2,0,0]=4 1553 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [2,0,0,0,0,0|2,0,0]=4 1554 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [2,0,0,0,0,0|2,0,0]=4 1555 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [2,0,0,0,0,0|2,0,0]=4 1556 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [2,0,0,0,0,0|2,0,0]=4 1557 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [2,0,0,0,0,0|2,0,0]=4 1558 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [2,0,0,0,0,0|2,0,0]=4 1559 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [2,0,0,0,0,0|2,0,0]=4 1560 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [2,0,0,0,0,0|2,0,0]=4 1561 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [2,0,0,0,0,0|2,0,0]=4 1562 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [2,0,0,0,0,0|2,0,0]=4 1563 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [2,0,0,0,0,0|2,0,0]=4 1564 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [2,0,0,0,0,0|2,0,0]=4 1565 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [2,0,0,0,0,0|2,0,0]=4 1566 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [2,0,0,0,0,0|2,0,0]=4 1567 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [2,0,0,0,0,0|2,0,0]=4 1568 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [2,0,0,0,0,0|2,0,0]=4 1569 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [2,0,0,0,0,0|2,0,0]=4 1570 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [2,0,0,0,0,0|2,0,0]=4 1571 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [2,0,0,0,0,0|2,0,0]=4 1572 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [2,0,0,0,0,0|2,0,0]=4 1573 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [2,0,0,0,0,0|2,0,0]=4 1574 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [2,0,0,0,0,0|2,0,0]=4 1575 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [2,0,0,0,0,0|2,0,0]=4 1576 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [2,0,0,0,0,0|2,0,0]=4 1577 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [2,0,0,0,0,0|2,0,0]=4 1578 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [2,0,0,0,0,0|2,0,0]=4 1579 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [2,0,0,0,0,0|2,0,0]=4 1580 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [2,0,0,0,0,0|2,0,0]=4 1581 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [2,0,0,0,0,0|2,0,0]=4 1582 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [2,0,0,0,0,0|2,0,0]=4 1583 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [2,0,0,0,0,0|2,0,0]=4 1584 B9R0.45 C#CCOCC/C=C\CC 34a_100000210247_100015370543 [2,0,0,0,0,0|0,0,2]=4 1585 B9R0.45 C#CCOCC/C=C\CC 34a_100016288707_100000184674 [2,0,0,0,0,0|0,0,2]=4 1586 B9R0.45 C#CCOCC/C=C\CC 7a_100016288707_100000038162 [2,0,0,0,0,0|0,0,2]=4 1587 B9R0.45 C/C=C/C=C/COCCC 34a_100016283227_100000210303 [2,0,0,0,0,0|0,0,2]=4 1588 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [2,0,0,0,0,0|0,0,1]=3 1589 B9R0.45 C/C=C/CCOCCCF 34a_100016278192_100011934791 [2,0,0,0,0,0|1,0,1]=4 1590 B9R0.45 C/C=C/CCOCCCO 34a_100016278192_100000230001 [2,0,0,0,0,0|1,0,1]=4 1591 B9R0.45 C/C=C/CCOCCOC 34a_100016278192_100011201679 [2,0,0,0,0,0|1,0,1]=4 1592 B9R0.45 C/C=C/CCOCCSC 34a_100016278192_100000212216 [2,0,0,0,0,0|1,0,1]=4 1593 B9R0.45 C=CCOCC/C=C\CC 34a_100016288707_100015514636 [2,0,0,0,0,0|0,0,2]=4 1594 B9R0.45 C=CCOCC/C=C\CC 34a_200000210373_100015370543 [2,0,0,0,0,0|0,0,2]=4 1595 B9R0.45 C=CCOCC/C=C\CC 7a_100016288707_100015514636 [2,0,0,0,0,0|0,0,2]=4 1596 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [2,0,0,0,0,0|1,0,1]=4 1597 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [2,0,0,0,0,0|1,0,1]=4 1598 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [2,0,0,0,0,0|1,0,1]=4 1599 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [2,0,0,0,0,0|1,0,1]=4 1600 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [2,0,0,0,0,0|1,0,1]=4 1601 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [2,0,0,0,0,0|1,0,1]=4 1602 B9R0.45 CC/C=C\CCNCCF 34a_100000724931_100015370543 [2,0,0,0,0,0|2,0,0]=4 1603 B9R0.45 CC/C=C\CCNCCO 2230a_100016997473_100015370543 [2,0,0,0,0,0|2,0,0]=4 1604 B9R0.45 CC/C=C\CCNCCO 34a_100016990907_100015370543 [2,0,0,0,0,0|2,0,0]=4 1605 B9R0.45 CC/C=C\CCOCC#N 7a_100016288707_100011215382 [2,0,0,0,0,0|1,0,1]=4 1606 B9R0.45 CC/C=C\CCOCC=O 34a_100016288707_200009817547 [2,0,0,0,0,0|1,0,1]=4 1607 B9R0.45 CC/C=C\CCOCC=O 7a_100016288707_200015260668 [2,0,0,0,0,0|1,0,1]=4 1608 B9R0.45 CC/C=C\CCOCCBr 34a_100000211926_100015370543 [2,0,0,0,0,0|1,0,0]=3 1609 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [2,0,0,0,0,0|0,0,0]=2 1610 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [2,0,0,0,0,0|0,0,0]=2 1611 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [2,0,0,0,0,0|0,0,0]=2 1612 B9R0.45 CC/C=C\CCOCCF 34a_100016288707_100011217306 [2,0,0,0,0,0|1,0,0]=3 1613 B9R0.45 CC/C=C\CCOCCF 7a_100016288707_100011217306 [2,0,0,0,0,0|1,0,0]=3 1614 B9R0.45 CC/C=C\CCOCCN 34a_100000210304_100015370543 [2,0,0,0,0,0|1,0,0]=3 1615 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [2,0,0,0,0,0|1,0,0]=3 1616 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [2,0,0,0,0,0|1,0,0]=3 1617 B9R0.45 CC/C=C\CCOCSC 34a_100016288707_100011218213 [2,0,0,0,0,0|1,0,0]=3 1618 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [2,0,0,0,0,0|0,1,0]=3 1619 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [2,0,0,0,0,0|0,1,0]=3 1620 B9R0.45 CC/C=C\CCSCCF 62a_100011217306_100015370543 [2,0,0,0,0,0|1,1,0]=4 1621 B9R0.45 CC/C=C\CCSCCF 62a_100015370543_100011217306 [2,0,0,0,0,0|1,1,0]=4 1622 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [2,0,0,0,0,0|1,1,0]=4 1623 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [2,0,0,0,0,0|1,1,0]=4 1624 B9R0.45 CC/C=C\CCSCOC 62a_100000766300_100015370543 [2,0,0,0,0,0|1,1,0]=4 1625 B9R0.45 CC/C=C\CCSCOC 62a_100015370543_100000766300 [2,0,0,0,0,0|1,1,0]=4 1626 B9R0.45 CC/C=C\CCSCSC 62a_100011218213_100015370543 [2,0,0,0,0,0|1,1,0]=4 1627 B9R0.45 CC/C=C\CCSCSC 62a_100015370543_100011218213 [2,0,0,0,0,0|1,1,0]=4 1628 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [2,0,0,0,0,0|1,0,1]=4 1629 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [2,0,0,0,0,0|1,0,1]=4 1630 B9R0.45 CC/C=C\COCCCBr 34a_100011217188_100103147603 [2,0,0,0,0,0|1,0,1]=4 1631 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [2,0,0,0,0,0|0,0,1]=3 1632 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [2,0,0,0,0,0|0,0,1]=3 1633 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [2,0,0,0,0,0|0,0,1]=3 1634 B9R0.45 CC/C=C\COCCCCl 34a_100000230001_100103147603 [2,0,0,0,0,0|1,0,1]=4 1635 B9R0.45 CC/C=C\COCCCF 34a_100000759539_100103147603 [2,0,0,0,0,0|1,0,1]=4 1636 B9R0.45 CC/C=C\COCCCF 34a_100016268518_100011934791 [2,0,0,0,0,0|1,0,1]=4 1637 B9R0.45 CC/C=C\COCCCN 34a_100000182051_100103147603 [2,0,0,0,0,0|1,0,1]=4 1638 B9R0.45 CC/C=C\COCCCO 34a_100016268518_100000230001 [2,0,0,0,0,0|1,0,1]=4 1639 B9R0.45 CC/C=C\COCCOC 34a_100000210237_100103147603 [2,0,0,0,0,0|1,0,1]=4 1640 B9R0.45 CC/C=C\COCCOC 34a_100016268518_100011201679 [2,0,0,0,0,0|1,0,1]=4 1641 B9R0.45 CC/C=C\COCCSC 34a_100000230434_100103147603 [2,0,0,0,0,0|1,0,1]=4 1642 B9R0.45 CC/C=C\COCCSC 34a_100016268518_100000212216 [2,0,0,0,0,0|1,0,1]=4 1643 B9R0.45 CC/C=C\COCCSC 7a_100000230434_100103147603 [2,0,0,0,0,0|1,0,1]=4 1644 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [2,0,0,0,0,0|0,1,1]=4 1645 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [2,0,0,0,0,0|0,1,1]=4 1646 B9R0.45 CC=C=CCCOCCC 34a_100011020354_100000210303 [2,0,0,0,0,0|0,0,2]=4 1647 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [2,0,0,0,0,0|0,0,2]=4 1648 B9R0.45 CCC#CCCOCCC 34a_100000036655_100000210303 [2,0,0,0,0,0|0,0,2]=4 1649 B9R0.45 CCC#CCCOCCC 7a_100000036655_100000210303 [2,0,0,0,0,0|0,0,2]=4 1650 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [2,0,0,0,0,0|0,0,2]=4 1651 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [2,0,0,0,0,0|0,0,2]=4 1652 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [2,0,0,0,0,0|0,0,2]=4 1653 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [2,0,0,0,0,0|0,0,2]=4 1654 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [2,0,0,0,0,0|0,0,2]=4 1655 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [2,0,0,0,0,0|0,0,2]=4 1656 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [2,0,0,0,0,0|0,0,2]=4 1657 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [2,0,0,0,0,0|0,0,2]=4 1658 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [2,0,0,0,0,0|0,0,2]=4 1659 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [2,0,0,0,0,0|1,0,1]=4 1660 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [2,0,0,0,0,0|1,0,1]=4 1661 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [2,0,0,0,0,0|1,0,1]=4 1662 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [2,0,0,0,0,0|1,0,1]=4 1663 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [2,0,0,0,0,0|1,0,1]=4 1664 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [2,0,0,0,0,0|1,0,1]=4 1665 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [2,0,0,0,0,0|1,0,1]=4 1666 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [2,0,0,0,0,0|1,0,1]=4 1667 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [2,0,0,0,0,0|1,0,1]=4 1668 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [2,0,0,0,0,0|1,0,1]=4 1669 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [2,0,0,0,0,0|1,0,1]=4 1670 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [2,0,0,0,0,0|1,0,1]=4 1671 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [2,0,0,0,0,0|1,0,1]=4 1672 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [2,0,0,0,0,0|1,0,1]=4 1673 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [2,0,0,0,0,0|1,0,1]=4 1674 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [2,0,0,0,0,0|1,0,1]=4 1675 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [2,0,0,0,0,0|1,0,1]=4 1676 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [2,0,0,0,0,0|1,0,1]=4 1677 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [2,0,0,0,0,0|1,0,1]=4 1678 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [2,0,0,0,0,0|1,0,1]=4 1679 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [2,0,0,0,0,0|1,0,1]=4 1680 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [2,0,0,0,0,0|1,0,1]=4 1681 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [2,0,0,0,0,0|1,0,1]=4 1682 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [2,0,0,0,0,0|1,0,1]=4 1683 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [2,0,0,0,0,0|1,0,1]=4 1684 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [2,0,0,0,0,0|1,0,1]=4 1685 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [2,0,0,0,0,0|1,0,1]=4 1686 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [2,0,0,0,0,0|1,0,1]=4 1687 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [2,0,0,0,0,0|1,0,1]=4 1688 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [2,0,0,0,0,0|1,0,1]=4 1689 B9R0.46 C#CC(=O)CC/C=C\CC 1458a_100000211873_100015370543 [2,0,0,0,0,0|0,0,2]=4 1690 B9R0.46 C/C=C/CCOC(C)CC 34a_100016278192_100011215416 [2,0,0,0,0,0|1,0,1]=4 1691 B9R0.46 C/C=C/COCC(=O)CC 34a_100000725409_100102629194 [2,0,0,0,0,0|2,0,0]=4 1692 B9R0.46 C/C=C/CSCC(=O)CC 62a_100000747405_100102629194 [2,0,0,0,0,0|2,0,0]=4 1693 B9R0.46 C/C=C/CSCC(=O)CC 62a_100102629194_100000747405 [2,0,0,0,0,0|2,0,0]=4 1694 B9R0.46 C=CC(=O)CC/C=C\CC 1458a_100000185746_100015370543 [2,0,0,0,0,0|0,0,2]=4 1695 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [2,0,0,0,0,0|0,0,0]=2 1696 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [2,0,0,0,0,0|1,0,0]=3 1697 B9R0.46 CC/C=C\CCN(C)CC 2230a_100000225621_100015370543 [2,0,0,0,0,0|2,0,0]=4 1698 B9R0.46 CC/C=C\CCN(C)CC 269982a_100000225621_100015370543 [2,0,0,0,0,0|2,0,0]=4 1699 B9R0.46 CC/C=C\COC(C)CC 34a_100016268518_100011215416 [2,0,0,0,0,0|1,0,1]=4 1700 B9R0.46 CC/C=C\COC(C)CC 7a_100000210228_100103147603 [2,0,0,0,0,0|1,0,1]=4 1701 B9R0.46 CC=CCOCC(=O)CC 34a_100000725409_100000070051 [2,0,0,0,0,0|2,0,0]=4 1702 B9R0.46 CC=CCSCC(=O)CC 62a_100000070051_100000747405 [2,0,0,0,0,0|2,0,0]=4 1703 B9R0.46 CC=CCSCC(=O)CC 62a_100000747405_100000070051 [2,0,0,0,0,0|2,0,0]=4 1704 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [2,0,0,0,0,0|2,0,0]=4 1705 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [2,0,0,0,0,0|0,0,2]=4 1706 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [2,0,0,0,0,0|0,0,2]=4 1707 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [2,0,0,0,0,0|0,0,2]=4 1708 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [2,0,0,0,0,0|1,0,1]=4 1709 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [2,0,0,0,0,0|1,0,1]=4 1710 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [2,0,0,0,0,0|1,0,1]=4 1711 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [2,0,0,0,0,0|1,0,1]=4 1712 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [2,0,0,0,0,0|1,0,1]=4 1713 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [2,0,0,0,0,0|2,0,0]=4 1714 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [2,0,0,0,0,0|1,0,1]=4 1715 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [2,0,0,0,0,0|2,0,0]=4 1716 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [2,0,0,0,0,0|2,0,0]=4 1717 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [2,0,0,0,0,0|2,0,0]=4 1718 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [2,0,0,0,0,0|2,0,0]=4 1719 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [2,0,0,0,0,0|2,0,0]=4 1720 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [2,0,0,0,0,0|2,0,0]=4 1721 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [2,0,0,0,0,0|1,0,0]=3 1722 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [2,0,0,0,0,0|2,0,0]=4 1723 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [2,0,0,0,0,0|2,0,0]=4 1724 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [2,0,0,0,0,0|2,0,0]=4 1725 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [2,0,0,0,0,0|2,0,0]=4 1726 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [2,0,0,0,0,0|2,0,0]=4 1727 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [2,0,0,0,0,0|2,0,0]=4 1728 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [2,0,0,0,0,0|2,0,0]=4 1729 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [2,0,0,0,0,0|2,0,0]=4 1730 B9R0.2 CC/C=C\CCOC(C)C 34a_100000212225_100015370543 [2,0,0,0,0,0|1,0,1]=4 1731 B9R0.2 CC/C=C\CCOC(C)C 34a_100016288707_100000210206 [2,0,0,0,0,0|1,0,1]=4 1732 B9R0.2 CC/C=C\CCOC(C)C 7a_100016288707_100000210206 [2,0,0,0,0,0|1,0,1]=4 1733 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [2,0,0,0,0,0|2,0,0]=4 1734 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [2,0,0,0,0,0|1,0,1]=4 1735 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [2,0,0,0,0,0|1,0,1]=4 1736 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [2,0,0,0,0,0|1,0,1]=4 1737 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [2,0,0,0,0,0|1,0,1]=4 1738 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [2,0,0,0,0,0|1,0,1]=4 1739 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [2,0,0,0,0,0|1,0,1]=4 1740 B11R0.2 C/C=C/CCOC(C)CC(C)C 34a_100016278192_100000731052 [1,1,0,0,0,0|1,0,1]=4 1741 B11R0.2 CC/C=C\CCC(=O)C=C(C)C 1458a_100000211388_100015370543 [1,1,0,0,0,0|0,0,2]=4 1742 B11R0.2 CC/C=C\CCC(=O)C=C(C)Cl 1458a_200042562850_100015370543 [1,1,0,0,0,0|0,0,2]=4 1743 B11R0.2 CC/C=C\CCC(=O)C=C(C)I 1458a_100025716642_100015370543 [1,1,0,0,0,0|0,0,2]=4 1744 B11R0.2 CC/C=C\CCC(=O)CC(=O)N 1458a_100134613110_100015370543 [1,1,0,0,0,0|1,0,1]=4 1745 B11R0.2 CC/C=C\CCC(=O)CC(C)C 1458a_100000210554_100015370543 [1,1,0,0,0,0|0,0,0]=2 1746 B11R0.2 CC/C=C\CCC(=O)CN(C)C 1458a_100000750896_100015370543 [1,1,0,0,0,0|1,0,0]=3 1747 B11R0.2 CC/C=C\CCC(=O)C[C@@H](C)O 1458a_100011933948_100015370543 [1,1,0,0,0,0|0,0,0]=2 1748 B11R0.2 CC/C=C\CCC(=O)C[S+](C)C 1458a_200159257847_100015370543 [1,1,0,0,0,0|1,0,0]=3 1749 B11R0.2 CC/C=C\CCN(C)CC(C)C 2230a_100000747067_100015370543 [1,1,0,0,0,0|2,0,0]=4 1750 B11R0.2 CC/C=C\CCN(C)CC(C)C 269982a_100000747067_100015370543 [1,1,0,0,0,0|2,0,0]=4 1751 B11R0.2 CC/C=C\CCN(C)CC(C)O 2230a_100000227577_100015370543 [1,1,0,0,0,0|2,0,0]=4 1752 B11R0.2 CC/C=C\CCN(C)CC(C)O 269982a_100000227577_100015370543 [1,1,0,0,0,0|2,0,0]=4 1753 B11R0.2 CC/C=C\COC(C)CC(C)C 34a_100000211805_100103147603 [1,1,0,0,0,0|1,0,1]=4 1754 B11R0.2 CC/C=C\COC(C)CC(C)C 34a_100016268518_100000731052 [1,1,0,0,0,0|1,0,1]=4 1755 B11R0.2 CC/C=C\COC(C)CC(C)C 7a_100000211805_100103147603 [1,1,0,0,0,0|1,0,1]=4 1756 B11R0.2 CCC/C=C/CC(=O)CC(C)C 1458a_200016266809_100000210624 [1,1,0,0,0,0|0,0,2]=4 1757 B11R0.2 CCC/C=C/CC(=O)CC(C)O 1458a_200016266809_100011218427 [1,1,0,0,0,0|0,0,2]=4 1758 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100000210554_100000210757 [1,1,0,0,0,0|0,0,2]=4 1759 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100102632555_100000210624 [1,1,0,0,0,0|0,0,2]=4 1760 B11R0.2 CCCCCCC(=O)CC(C)O 1458a_100102632555_100011218427 [1,1,0,0,0,0|0,0,2]=4 1761 B11R0.2 CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210757 [1,1,0,0,0,0|0,0,2]=4 1762 B11R0.2 CCCCCNC(=O)CC(C)C 11a_100000209983_100000210554 [1,1,0,0,0,0|1,0,1]=4 1763 B11R0.2 CCCCCNC(=O)CC(C)C 1626a_100000209983_100000210554 [1,1,0,0,0,0|1,0,1]=4 1764 B11R0.2 CCCCCNC(=O)CC(C)C 240690a_100000209983_100000210554 [1,1,0,0,0,0|1,0,1]=4 1765 B11R0.2 CCCCCNC(=O)CC(C)C 527a_100000209983_100000210554 [1,1,0,0,0,0|1,0,1]=4 1766 B11R0.2 CCCCCNC(=O)C[C@@H](C)O 240690a_100000209983_100011933948 [1,1,0,0,0,0|1,0,1]=4 1767 B11R0.2 CCCOCCC(=O)CC(C)C 1458a_100000210554_100011215938 [1,1,0,0,0,0|1,0,1]=4 1768 B11R0.2 CCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215938 [1,1,0,0,0,0|1,0,1]=4 1769 B11R0.2 CCOCCCC(=O)CC(C)C 1458a_100000210554_100012232248 [1,1,0,0,0,0|1,0,1]=4 1770 B11R0.2 CCOCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012232248 [1,1,0,0,0,0|1,0,1]=4 1771 B11R0.2 CCOCCNC(=O)CC(C)C 11a_100011200944_100000210554 [1,1,0,0,0,0|2,0,0]=4 1772 B11R0.2 CCOCCNC(=O)CC(C)C 1626a_102516460346_100000210554 [1,1,0,0,0,0|2,0,0]=4 1773 B11R0.2 CCOCCNC(=O)CC(C)C 240690a_100011200944_100000210554 [1,1,0,0,0,0|2,0,0]=4 1774 B11R0.2 CCOCCNC(=O)CC(C)C 527a_100011200944_100000210554 [1,1,0,0,0,0|2,0,0]=4 1775 B11R0.2 CCOCCNC(=O)C[C@@H](C)O 240690a_100011200944_100011933948 [1,1,0,0,0,0|2,0,0]=4 1776 B11R0.2 CCOCCOC(=O)CC(=O)C 1458a_100000070787_200000101388 [1,1,0,0,0,0|1,0,1]=4 1777 B11R0.2 CCOCCOC(=O)CC(=O)C 34a_100121572206_100000102702 [1,1,0,0,0,0|1,0,1]=4 1778 B11R0.2 CCOCCOC(=O)CN(C)C 2230a_100102631434_200000101388 [1,1,0,0,0,0|2,0,0]=4 1779 B11R0.2 CCOCCOC(=O)CN(C)C 269982a_100102631434_200000101388 [1,1,0,0,0,0|2,0,0]=4 1780 B11R0.2 CCSCCNC(=O)CC(C)C 11a_100000106463_100000210554 [1,1,0,0,0,0|2,0,0]=4 1781 B11R0.2 CCSCCNC(=O)CC(C)C 1626a_100000106463_100000210554 [1,1,0,0,0,0|2,0,0]=4 1782 B11R0.2 CCSCCNC(=O)CC(C)C 240690a_100000106463_100000210554 [1,1,0,0,0,0|2,0,0]=4 1783 B11R0.2 CCSCCNC(=O)CC(C)C 527a_100000106463_100000210554 [1,1,0,0,0,0|2,0,0]=4 1784 B11R0.2 CCSCCNC(=O)C[C@@H](C)O 240690a_100000106463_100011933948 [1,1,0,0,0,0|2,0,0]=4 1785 B11R0.2 CCSCCOC(=O)CC(=O)C 62a_100000102702_100000210202 [1,1,0,0,0,0|1,0,1]=4 1786 B11R0.2 CCSCCOC(=O)CC(=O)C 62a_100000210202_100000102702 [1,1,0,0,0,0|1,0,1]=4 1787 B11R0.5 CC=CCC(=O)CC(=O)CCC 1458a_100121576822_100000747444 [1,1,0,0,0,0|1,0,1]=4 1788 B11R0.5 CCC=CC(=O)CC(=O)CCC 1458a_100000212282_100000747444 [1,1,0,0,0,0|0,0,1]=3 1789 B11R0.5 CCC=CC(=O)CC(=O)NCC 1458a_100000212282_100000183381 [1,1,0,0,0,0|1,0,1]=4 1790 B11R0.5 CCC=CC(=O)CC(=O)OCC 1458a_100000212282_100000188475 [1,1,0,0,0,0|1,0,1]=4 1791 B11R0.5 CCCC(=O)CC(=O)C=COC 1458a_100016268678_100000747444 [1,1,0,0,0,0|1,0,1]=4 1792 B11R0.5 CCCCC(C)NC(=O)CCC 11a_100000126638_100000211992 [1,1,0,0,0,0|1,0,1]=4 1793 B11R0.5 CCCCC(C)NC(=O)CCC 1626a_100000126638_100000211992 [1,1,0,0,0,0|1,0,1]=4 1794 B11R0.5 CCCCC(C)NC(=O)CCC 240690a_100000126638_100000211992 [1,1,0,0,0,0|1,0,1]=4 1795 B11R0.5 CCCCC(C)NC(=O)CCC 527a_100000126638_100000211992 [1,1,0,0,0,0|1,0,1]=4 1796 B11R0.62 CC#CC(=O)COC(=O)CCC 1458a_100000763181_100000034017 [1,1,0,0,0,0|0,0,2]=4 1797 B11R0.62 CC=CC(=O)COC(=O)CCC 1458a_100000210699_100000034017 [1,1,0,0,0,0|0,0,1]=3 1798 B11R0.62 CCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210303 [1,1,0,0,0,0|1,0,0]=3 1799 B11R0.62 CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210303 [1,1,0,0,0,0|1,0,0]=3 1800 B11R0.62 CCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210303 [1,1,0,0,0,0|2,0,0]=4 1801 B11R0.62 CCCC(=O)COC(=O)CCC 1458a_100000211992_100000034017 [1,1,0,0,0,0|0,0,1]=3 1802 B11R0.62 CCCC(=O)NCC(=O)NCC 11a_100016988866_100000211992 [1,1,0,0,0,0|2,0,0]=4 1803 B11R0.62 CCCC(=O)NCC(=O)NCC 1626a_100016988866_100000211992 [1,1,0,0,0,0|2,0,0]=4 1804 B11R0.62 CCCC(=O)NCC(=O)NCC 240690a_100016988866_100000211992 [1,1,0,0,0,0|2,0,0]=4 1805 B11R0.62 CCCC(=O)NCC(=O)NCC 527a_100016988866_100000211992 [1,1,0,0,0,0|2,0,0]=4 1806 B11R0.62 CCCC(=O)NCC(=O)OCC 188690a_100000741813_100000211992 [1,1,0,0,0,0|2,0,0]=4 1807 B11R0.62 CCCC(=O)OCC(=O)C=CBr 1458a_100016273825_100000034017 [1,1,0,0,0,0|1,0,1]=4 1808 B11R0.62 CCCC(=O)OCC(=O)C=CCl 1458a_200016279998_100000034017 [1,1,0,0,0,0|1,0,1]=4 1809 B11R0.62 CCCC(=O)OCC(=O)C=CI 1458a_100016256311_100000034017 [1,1,0,0,0,0|1,0,1]=4 1810 B11R0.62 CCCC(=O)OCC(=O)CCO 1458a_100011216618_100000034017 [1,1,0,0,0,0|1,0,1]=4 1811 B11R0.62 CCCC(=O)OCC(=O)COC 1458a_100000210968_100000034017 [1,1,0,0,0,0|1,0,1]=4 1812 B11R0.62 CCCC(=O)OCC(=O)CSC 1458a_100000184570_100000034017 [1,1,0,0,0,0|1,0,1]=4 1813 B11R0.62 CCCC(=O)OCN(C)CCC 2230a_100000747261_100000034017 [1,1,0,0,0,0|1,0,1]=4 1814 B11R0.62 CCCC(=O)OCN(C)CCC 269982a_100000747261_100000034017 [1,1,0,0,0,0|1,0,1]=4 1815 B11R0.62 CCNC(=O)CCC(=O)CCF 1458a_100000199579_100011217306 [1,1,0,0,0,0|2,0,0]=4 1816 B11R0.62 CCNC(=O)CCC(=O)CCO 1458a_100000199579_100000211926 [1,1,0,0,0,0|2,0,0]=4 1817 B11R0.62 CCNC(=O)CCC(=O)NCC 11a_100015525214_100000199579 [1,1,0,0,0,0|2,0,0]=4 1818 B11R0.62 CCNC(=O)CCC(=O)NCC 240690a_100015525214_100000199579 [1,1,0,0,0,0|2,0,0]=4 1819 B11R0.62 CCNC(=O)CCC(=O)OCC 11a_100015525214_100000183558 [1,1,0,0,0,0|2,0,0]=4 1820 B11R0.62 CCNC(=O)CCC(=O)OCC 240690a_100015525214_100000183558 [1,1,0,0,0,0|2,0,0]=4 1821 B11R0.62 CCOC(=O)CCC(=O)CCF 1458a_100000183558_100011217306 [1,1,0,0,0,0|2,0,0]=4 1822 B11R0.62 CCOC(=O)CCC(=O)CCO 1458a_100000183558_100000211926 [1,1,0,0,0,0|2,0,0]=4 1823 B11R0.81 C#CCCC(=O)CC/C=C\CC 1458a_100000692101_100015370543 [1,1,0,0,0,0|0,0,1]=3 1824 B11R0.81 C/C=C/CCOC(C)CCCC 34a_100016278192_200011215066 [1,1,0,0,0,0|1,0,1]=4 1825 B11R0.81 C/C=C/COCC(=O)NCCC 34a_100016270725_100000183358 [1,1,0,0,0,0|2,0,0]=4 1826 B11R0.81 C/C=C/COCC(=O)OCCC 34a_100016270725_200011215008 [1,1,0,0,0,0|2,0,0]=4 1827 B11R0.81 C/C=C/CSCC(=O)NCCC 62a_100000183358_100102629194 [1,1,0,0,0,0|2,0,0]=4 1828 B11R0.81 C/C=C/CSCC(=O)NCCC 62a_100102629194_100000183358 [1,1,0,0,0,0|2,0,0]=4 1829 B11R0.81 C/C=C/CSCC(=O)OCCC 62a_100102629194_200011215008 [1,1,0,0,0,0|2,0,0]=4 1830 B11R0.81 C/C=C/CSCC(=O)OCCC 62a_200011215008_100102629194 [1,1,0,0,0,0|2,0,0]=4 1831 B11R0.81 C=CCCC(=O)CC/C=C\CC 1458a_100000749702_100015370543 [1,1,0,0,0,0|0,0,1]=3 1832 B11R0.81 CC/C=C\CCC(=O)C#CCO 1458a_100000049017_100015370543 [1,1,0,0,0,0|0,0,2]=4 1833 B11R0.81 CC/C=C\CCC(=O)C=COC 1458a_100016268678_100015370543 [1,1,0,0,0,0|0,0,2]=4 1834 B11R0.81 CC/C=C\CCC(=O)CCC#N 1458a_100011934036_100015370543 [1,1,0,0,0,0|0,0,1]=3 1835 B11R0.81 CC/C=C\CCC(=O)CCCC 1458a_100000210183_100015370543 [1,1,0,0,0,0|0,0,0]=2 1836 B11R0.81 CC/C=C\CCC(=O)CCOC 1458a_100000749529_100015370543 [1,1,0,0,0,0|0,0,0]=2 1837 B11R0.81 CC/C=C\CCC(=O)CCSC 1458a_100000174002_100015370543 [1,1,0,0,0,0|0,0,0]=2 1838 B11R0.81 CC/C=C\CCC(=O)COCC 1458a_100000211967_100015370543 [1,1,0,0,0,0|0,0,0]=2 1839 B11R0.81 CC/C=C\CCC(=O)CSCC 1458a_100000230394_100015370543 [1,1,0,0,0,0|0,0,0]=2 1840 B11R0.81 CC/C=C\CCN(C)CCCC 2230a_100000207549_100015370543 [1,1,0,0,0,0|2,0,0]=4 1841 B11R0.81 CC/C=C\CCN(C)CCCC 269982a_100000207549_100015370543 [1,1,0,0,0,0|2,0,0]=4 1842 B11R0.81 CC/C=C\CCN(C)CCCO 2230a_100000213112_100015370543 [1,1,0,0,0,0|2,0,0]=4 1843 B11R0.81 CC/C=C\CCN(C)CCCO 269982a_100000213112_100015370543 [1,1,0,0,0,0|2,0,0]=4 1844 B11R0.81 CC/C=C\CCN(C)CCOC 2230a_100000743101_100015370543 [1,1,0,0,0,0|2,0,0]=4 1845 B11R0.81 CC/C=C\CCN(C)CCOC 269982a_100000743101_100015370543 [1,1,0,0,0,0|2,0,0]=4 1846 B11R0.81 CC/C=C\CCN(C)CCSC 2230a_100000686725_100015370543 [1,1,0,0,0,0|2,0,0]=4 1847 B11R0.81 CC/C=C\CCN(C)CCSC 269982a_100000686725_100015370543 [1,1,0,0,0,0|2,0,0]=4 1848 B11R0.81 CC/C=C\COC(C)CCCC 34a_100000687866_100103147603 [1,1,0,0,0,0|1,0,1]=4 1849 B11R0.81 CC/C=C\COC(C)CCCC 34a_100016268518_200011215066 [1,1,0,0,0,0|1,0,1]=4 1850 B11R0.81 CC/C=C\COC(C)CCCC 7a_100000687866_100103147603 [1,1,0,0,0,0|1,0,1]=4 1851 B11R0.81 CC/C=C\COC(C)CCCCl 34a_200000718107_100103147603 [1,1,0,0,0,0|1,0,1]=4 1852 B11R0.81 CC/C=C\COC(C)CCCCl 7a_200000718107_100103147603 [1,1,0,0,0,0|1,0,1]=4 1853 B11R0.81 CC/C=C\COC(C)COCC 34a_100000718985_100103147603 [1,1,0,0,0,0|1,0,1]=4 1854 B11R0.81 CC/C=C\COC(C)COCC 7a_100000718985_100103147603 [1,1,0,0,0,0|1,0,1]=4 1855 B11R0.81 CC=CCC(=O)CC/C=C\CC 1458a_100121576822_100015370543 [1,1,0,0,0,0|0,0,1]=3 1856 B11R0.81 CC=CCNCC(=O)NCCC 2230a_100000174927_100000070051 [1,1,0,0,0,0|2,0,0]=4 1857 B11R0.81 CC=CCSCC(=O)NCCC 62a_100000070051_100000183358 [1,1,0,0,0,0|2,0,0]=4 1858 B11R0.81 CC=CCSCC(=O)NCCC 62a_100000183358_100000070051 [1,1,0,0,0,0|2,0,0]=4 1859 B11R0.81 CC=CCSCC(=O)OCCC 62a_100000070051_200011215008 [1,1,0,0,0,0|2,0,0]=4 1860 B11R0.81 CC=CCSCC(=O)OCCC 62a_200011215008_100000070051 [1,1,0,0,0,0|2,0,0]=4 1861 B11R0.81 CCC#CC(=O)CC/C=C\CC 1458a_100011827653_100015370543 [1,1,0,0,0,0|0,0,1]=3 1862 B11R0.81 CCC/C=C/CC(=O)CCCC 1458a_200016266809_100000210211 [1,1,0,0,0,0|0,0,2]=4 1863 B11R0.81 CCC/C=C/CC(=O)CCCF 1458a_200016266809_100011934791 [1,1,0,0,0,0|0,0,2]=4 1864 B11R0.81 CCC/C=C/CC(=O)CCCO 1458a_200016266809_100011215043 [1,1,0,0,0,0|0,0,2]=4 1865 B11R0.81 CCC/C=C/CC(=O)CCOC 1458a_200016266809_100000233755 [1,1,0,0,0,0|0,0,2]=4 1866 B11R0.81 CCC/C=C/CC(=O)CCSC 1458a_200016266809_100000751147 [1,1,0,0,0,0|0,0,2]=4 1867 B11R0.81 CCC/C=C/CC(=O)NCCC 11a_100020643023_200016266809 [1,1,0,0,0,0|0,0,2]=4 1868 B11R0.81 CCC/C=C/CC(=O)NCCC 1626a_100020643023_200016266809 [1,1,0,0,0,0|0,0,2]=4 1869 B11R0.81 CCC/C=C/CC(=O)NCCC 240690a_100020643023_200016266809 [1,1,0,0,0,0|0,0,2]=4 1870 B11R0.81 CCC/C=C/CC(=O)NCCC 527a_100020643023_200016266809 [1,1,0,0,0,0|0,0,2]=4 1871 B11R0.81 CCC=CC(=O)CC/C=C\CC 1458a_100000212282_100015370543 [1,1,0,0,0,0|0,0,1]=3 1872 B11R0.81 CCCCC(=O)CCCOCC 1458a_100000210183_100012232248 [1,1,0,0,0,0|1,0,1]=4 1873 B11R0.81 CCCCC(=O)CCOCCC 1458a_100000210183_100011215938 [1,1,0,0,0,0|1,0,1]=4 1874 B11R0.81 CCCCC(=O)NCCOCC 11a_100011200944_100000210183 [1,1,0,0,0,0|2,0,0]=4 1875 B11R0.81 CCCCC(=O)NCCOCC 1626a_102516460346_100000210183 [1,1,0,0,0,0|2,0,0]=4 1876 B11R0.81 CCCCC(=O)NCCOCC 240690a_100011200944_100000210183 [1,1,0,0,0,0|2,0,0]=4 1877 B11R0.81 CCCCC(=O)NCCOCC 527a_100011200944_100000210183 [1,1,0,0,0,0|2,0,0]=4 1878 B11R0.81 CCCCC(=O)NCCSCC 11a_100000106463_100000210183 [1,1,0,0,0,0|2,0,0]=4 1879 B11R0.81 CCCCC(=O)NCCSCC 1626a_100000106463_100000210183 [1,1,0,0,0,0|2,0,0]=4 1880 B11R0.81 CCCCC(=O)NCCSCC 240690a_100000106463_100000210183 [1,1,0,0,0,0|2,0,0]=4 1881 B11R0.81 CCCCC(=O)NCCSCC 527a_100000106463_100000210183 [1,1,0,0,0,0|2,0,0]=4 1882 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [1,1,0,0,0,0|0,0,2]=4 1883 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [1,1,0,0,0,0|0,0,2]=4 1884 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [1,1,0,0,0,0|0,0,2]=4 1885 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [1,1,0,0,0,0|0,0,2]=4 1886 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [1,1,0,0,0,0|0,0,2]=4 1887 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [1,1,0,0,0,0|0,0,2]=4 1888 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [1,1,0,0,0,0|0,0,2]=4 1889 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [1,1,0,0,0,0|0,0,2]=4 1890 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [1,1,0,0,0,0|0,0,2]=4 1891 B11R0.81 CCCCCCC(=O)CSCC 1458a_100000230394_100000210757 [1,1,0,0,0,0|0,0,2]=4 1892 B11R0.81 CCCCCCC(=O)NCCC 11a_100020643023_100102632555 [1,1,0,0,0,0|0,0,2]=4 1893 B11R0.81 CCCCCCC(=O)NCCC 1626a_100020643023_100102632555 [1,1,0,0,0,0|0,0,2]=4 1894 B11R0.81 CCCCCCC(=O)NCCC 240690a_100020643023_100102632555 [1,1,0,0,0,0|0,0,2]=4 1895 B11R0.81 CCCCCCC(=O)NCCC 527a_100020643023_100102632555 [1,1,0,0,0,0|0,0,2]=4 1896 B11R0.81 CCCCCNC(=O)CCCC 11a_100000209983_100000210183 [1,1,0,0,0,0|1,0,1]=4 1897 B11R0.81 CCCCCNC(=O)CCCC 1626a_100000209983_100000210183 [1,1,0,0,0,0|1,0,1]=4 1898 B11R0.81 CCCCCNC(=O)CCCC 240690a_100000209983_100000210183 [1,1,0,0,0,0|1,0,1]=4 1899 B11R0.81 CCCCCNC(=O)CCCC 527a_100000209983_100000210183 [1,1,0,0,0,0|1,0,1]=4 1900 B11R0.81 CCCCCNC(=O)CCOC 11a_100000209983_100000749529 [1,1,0,0,0,0|1,0,1]=4 1901 B11R0.81 CCCCCNC(=O)CCOC 1626a_100000209983_100000749529 [1,1,0,0,0,0|1,0,1]=4 1902 B11R0.81 CCCCCNC(=O)CCOC 240690a_100000209983_100000749529 [1,1,0,0,0,0|1,0,1]=4 1903 B11R0.81 CCCCCNC(=O)CCOC 527a_100000209983_100000749529 [1,1,0,0,0,0|1,0,1]=4 1904 B11R0.81 CCCCCNC(=O)CCSC 11a_100000209983_100000174002 [1,1,0,0,0,0|1,0,1]=4 1905 B11R0.81 CCCCCNC(=O)CCSC 1626a_100000209983_100000174002 [1,1,0,0,0,0|1,0,1]=4 1906 B11R0.81 CCCCCNC(=O)CCSC 240690a_100000209983_100000174002 [1,1,0,0,0,0|1,0,1]=4 1907 B11R0.81 CCCCCNC(=O)CCSC 527a_100000209983_100000174002 [1,1,0,0,0,0|1,0,1]=4 1908 B11R0.81 CCCCCNC(=O)CNCC 2230a_100015525214_100000230301 [1,1,0,0,0,0|1,0,1]=4 1909 B11R0.81 CCCCCNC(=O)COCC 11a_100000209983_100000211967 [1,1,0,0,0,0|1,0,1]=4 1910 B11R0.81 CCCCCNC(=O)COCC 1626a_100000209983_100000211967 [1,1,0,0,0,0|1,0,1]=4 1911 B11R0.81 CCCCCNC(=O)COCC 240690a_100000209983_100000211967 [1,1,0,0,0,0|1,0,1]=4 1912 B11R0.81 CCCCCNC(=O)COCC 34a_100121572206_100000230301 [1,1,0,0,0,0|1,0,1]=4 1913 B11R0.81 CCCCCNC(=O)COCC 527a_100000209983_100000211967 [1,1,0,0,0,0|1,0,1]=4 1914 B11R0.81 CCCCCNC(=O)CSCC 11a_100000209983_100000230394 [1,1,0,0,0,0|1,0,1]=4 1915 B11R0.81 CCCCCNC(=O)CSCC 1626a_100000209983_100000230394 [1,1,0,0,0,0|1,0,1]=4 1916 B11R0.81 CCCCCNC(=O)CSCC 240690a_100000209983_100000230394 [1,1,0,0,0,0|1,0,1]=4 1917 B11R0.81 CCCCCNC(=O)CSCC 527a_100000209983_100000230394 [1,1,0,0,0,0|1,0,1]=4 1918 B11R0.81 CCCCCNC(=O)CSCC 62a_100000210202_100000230301 [1,1,0,0,0,0|1,0,1]=4 1919 B11R0.81 CCCCCNC(=O)CSCC 62a_100000230301_100000210202 [1,1,0,0,0,0|1,0,1]=4 1920 B11R0.81 CCCCCNC(=O)NCCC 2708a_100000209983_100020643023 [1,1,0,0,0,0|1,0,1]=4 1921 B11R0.81 CCCCCNC(=O)NCCC 2708a_100020643023_100000209983 [1,1,0,0,0,0|1,0,1]=4 1922 B11R0.81 CCCCCNC(=O)NCCC 273464a_100000209983_100020643023 [1,1,0,0,0,0|1,0,1]=4 1923 B11R0.81 CCCCCNC(=O)NCCC 273464a_100020643023_100000209983 [1,1,0,0,0,0|1,0,1]=4 1924 B11R0.81 CCCCCNC(=O)NCCC 512a_100000209983_100020643023 [1,1,0,0,0,0|1,0,1]=4 1925 B11R0.81 CCCCCNC(=O)NCCC 512a_100020643023_100000209983 [1,1,0,0,0,0|1,0,1]=4 1926 B11R0.81 CCCNC(=O)CCCNCC 2230a_100015525214_100011194427 [1,1,0,0,0,0|1,0,1]=4 1927 B11R0.81 CCCNC(=O)CCCSCC 62a_100000210202_100011194427 [1,1,0,0,0,0|1,0,1]=4 1928 B11R0.81 CCCNC(=O)CCCSCC 62a_100011194427_100000210202 [1,1,0,0,0,0|1,0,1]=4 1929 B11R0.81 CCCNC(=O)NCCOCC 2708a_100011200944_100020643023 [1,1,0,0,0,0|2,0,0]=4 1930 B11R0.81 CCCNC(=O)NCCOCC 2708a_100020643023_100011200944 [1,1,0,0,0,0|2,0,0]=4 1931 B11R0.81 CCCNC(=O)NCCOCC 273464a_100020643023_102516460346 [1,1,0,0,0,0|2,0,0]=4 1932 B11R0.81 CCCNC(=O)NCCOCC 273464a_102516460346_100020643023 [1,1,0,0,0,0|2,0,0]=4 1933 B11R0.81 CCCNC(=O)NCCOCC 512a_100011200944_100020643023 [1,1,0,0,0,0|2,0,0]=4 1934 B11R0.81 CCCNC(=O)NCCOCC 512a_100020643023_100011200944 [1,1,0,0,0,0|2,0,0]=4 1935 B11R0.81 CCCNC(=O)NCCSCC 2708a_100000106463_100020643023 [1,1,0,0,0,0|2,0,0]=4 1936 B11R0.81 CCCNC(=O)NCCSCC 2708a_100020643023_100000106463 [1,1,0,0,0,0|2,0,0]=4 1937 B11R0.81 CCCNC(=O)NCCSCC 273464a_100000106463_100020643023 [1,1,0,0,0,0|2,0,0]=4 1938 B11R0.81 CCCNC(=O)NCCSCC 273464a_100020643023_100000106463 [1,1,0,0,0,0|2,0,0]=4 1939 B11R0.81 CCCNC(=O)NCCSCC 512a_100000106463_100020643023 [1,1,0,0,0,0|2,0,0]=4 1940 B11R0.81 CCCNC(=O)NCCSCC 512a_100020643023_100000106463 [1,1,0,0,0,0|2,0,0]=4 1941 B11R0.81 CCCOC(=O)OCSCCC 62a_100000210303_200000139673 [1,1,0,0,0,0|1,0,1]=4 1942 B11R0.81 CCCOCCC(=O)CCOC 1458a_100000749529_100011215938 [1,1,0,0,0,0|1,0,1]=4 1943 B11R0.81 CCCOCCC(=O)CCSC 1458a_100000174002_100011215938 [1,1,0,0,0,0|1,0,1]=4 1944 B11R0.81 CCCOCCC(=O)COCC 1458a_100000211967_100011215938 [1,1,0,0,0,0|1,0,1]=4 1945 B11R0.81 CCCOCCC(=O)CSCC 1458a_100000230394_100011215938 [1,1,0,0,0,0|1,0,1]=4 1946 B11R0.81 CCCOCOC(=O)OCCC 34a_100000210258_200000139673 [1,1,0,0,0,0|1,0,1]=4 1947 B11R0.81 CCNCC(=O)OCCOCC 2230a_100015525214_200000101388 [1,1,0,0,0,0|1,0,0]=3 1948 B11R0.81 CCOCC(=O)NCCSCC 11a_100000106463_100000211967 [1,1,0,0,0,0|2,0,0]=4 1949 B11R0.81 CCOCC(=O)NCCSCC 1626a_100000106463_100000211967 [1,1,0,0,0,0|2,0,0]=4 1950 B11R0.81 CCOCC(=O)NCCSCC 240690a_100000106463_100000211967 [1,1,0,0,0,0|2,0,0]=4 1951 B11R0.81 CCOCC(=O)NCCSCC 527a_100000106463_100000211967 [1,1,0,0,0,0|2,0,0]=4 1952 B11R0.81 CCOCCCC(=O)CCOC 1458a_100000749529_100012232248 [1,1,0,0,0,0|1,0,1]=4 1953 B11R0.81 CCOCCCC(=O)CCSC 1458a_100000174002_100012232248 [1,1,0,0,0,0|1,0,1]=4 1954 B11R0.81 CCOCCCC(=O)COCC 1458a_100000211967_100012232248 [1,1,0,0,0,0|1,0,1]=4 1955 B11R0.81 CCOCCCC(=O)CSCC 1458a_100000230394_100012232248 [1,1,0,0,0,0|1,0,1]=4 1956 B11R0.81 CCOCCNC(=O)CCOC 11a_100011200944_100000749529 [1,1,0,0,0,0|2,0,0]=4 1957 B11R0.81 CCOCCNC(=O)CCOC 1626a_102516460346_100000749529 [1,1,0,0,0,0|2,0,0]=4 1958 B11R0.81 CCOCCNC(=O)CCOC 240690a_100011200944_100000749529 [1,1,0,0,0,0|2,0,0]=4 1959 B11R0.81 CCOCCNC(=O)CCOC 527a_100011200944_100000749529 [1,1,0,0,0,0|2,0,0]=4 1960 B11R0.81 CCOCCNC(=O)CCSC 11a_100011200944_100000174002 [1,1,0,0,0,0|2,0,0]=4 1961 B11R0.81 CCOCCNC(=O)CCSC 1626a_102516460346_100000174002 [1,1,0,0,0,0|2,0,0]=4 1962 B11R0.81 CCOCCNC(=O)CCSC 240690a_100011200944_100000174002 [1,1,0,0,0,0|2,0,0]=4 1963 B11R0.81 CCOCCNC(=O)CCSC 527a_100011200944_100000174002 [1,1,0,0,0,0|2,0,0]=4 1964 B11R0.81 CCOCCNC(=O)COCC 11a_100011200944_100000211967 [1,1,0,0,0,0|2,0,0]=4 1965 B11R0.81 CCOCCNC(=O)COCC 1626a_102516460346_100000211967 [1,1,0,0,0,0|2,0,0]=4 1966 B11R0.81 CCOCCNC(=O)COCC 240690a_100011200944_100000211967 [1,1,0,0,0,0|2,0,0]=4 1967 B11R0.81 CCOCCNC(=O)COCC 527a_100011200944_100000211967 [1,1,0,0,0,0|2,0,0]=4 1968 B11R0.81 CCOCCNC(=O)CSCC 11a_100011200944_100000230394 [1,1,0,0,0,0|2,0,0]=4 1969 B11R0.81 CCOCCNC(=O)CSCC 1626a_102516460346_100000230394 [1,1,0,0,0,0|2,0,0]=4 1970 B11R0.81 CCOCCNC(=O)CSCC 240690a_100011200944_100000230394 [1,1,0,0,0,0|2,0,0]=4 1971 B11R0.81 CCOCCNC(=O)CSCC 527a_100011200944_100000230394 [1,1,0,0,0,0|2,0,0]=4 1972 B11R0.81 CCOCCOC(=O)COCC 34a_100121572206_200000101388 [1,1,0,0,0,0|1,0,0]=3 1973 B11R0.81 CCOCCOC(=O)CSCC 62a_100000210202_200000101388 [1,1,0,0,0,0|1,0,0]=3 1974 B11R0.81 CCOCCOC(=O)CSCC 62a_200000101388_100000210202 [1,1,0,0,0,0|1,0,0]=3 1975 B11R0.81 CCOCCOC(=O)CSCF 62a_100015361967_200000101388 [1,1,0,0,0,0|2,0,0]=4 1976 B11R0.81 CCOCCOC(=O)CSCF 62a_200000101388_100015361967 [1,1,0,0,0,0|2,0,0]=4 1977 B11R0.81 CCSCCNC(=O)CCOC 11a_100000106463_100000749529 [1,1,0,0,0,0|2,0,0]=4 1978 B11R0.81 CCSCCNC(=O)CCOC 1626a_100000106463_100000749529 [1,1,0,0,0,0|2,0,0]=4 1979 B11R0.81 CCSCCNC(=O)CCOC 240690a_100000106463_100000749529 [1,1,0,0,0,0|2,0,0]=4 1980 B11R0.81 CCSCCNC(=O)CCOC 527a_100000106463_100000749529 [1,1,0,0,0,0|2,0,0]=4 1981 B11R0.81 CCSCCNC(=O)CCSC 11a_100000106463_100000174002 [1,1,0,0,0,0|2,0,0]=4 1982 B11R0.81 CCSCCNC(=O)CCSC 1626a_100000106463_100000174002 [1,1,0,0,0,0|2,0,0]=4 1983 B11R0.81 CCSCCNC(=O)CCSC 240690a_100000106463_100000174002 [1,1,0,0,0,0|2,0,0]=4 1984 B11R0.81 CCSCCNC(=O)CCSC 527a_100000106463_100000174002 [1,1,0,0,0,0|2,0,0]=4 1985 B11R0.81 CCSCCNC(=O)CSCC 11a_100000106463_100000230394 [1,1,0,0,0,0|2,0,0]=4 1986 B11R0.81 CCSCCNC(=O)CSCC 1626a_100000106463_100000230394 [1,1,0,0,0,0|2,0,0]=4 1987 B11R0.81 CCSCCNC(=O)CSCC 240690a_100000106463_100000230394 [1,1,0,0,0,0|2,0,0]=4 1988 B11R0.81 CCSCCNC(=O)CSCC 527a_100000106463_100000230394 [1,1,0,0,0,0|2,0,0]=4 1989 B11R0.142 C/C=C(\C)/C(=O)CC/C=C\CC 1458a_100020587367_100015370543 [1,1,0,0,0,0|0,0,2]=4 1990 B11R0.142 C=CC(C)C(=O)CC/C=C\CC 1458a_100011216780_100015370543 [1,1,0,0,0,0|0,0,2]=4 1991 B11R0.142 CC/C=C\CCC(=O)C(=O)NC 1458a_100011218921_100015370543 [1,1,0,0,0,0|1,0,1]=4 1992 B11R0.142 CC/C=C\CCC(=O)C(C)C#N 1458a_100000753662_100015370543 [1,1,0,0,0,0|1,0,1]=4 1993 B11R0.142 CC/C=C\CCC(=O)C(C)CC 1458a_100011192722_100015370543 [1,1,0,0,0,0|0,0,0]=2 1994 B11R0.142 CC/C=C\CCC(=O)C(C)OC 1458a_100000743197_100015370543 [1,1,0,0,0,0|1,0,0]=3 1995 B11R0.142 CC/C=C\CCC(=O)C(C)SC 1458a_100000149566_100015370543 [1,1,0,0,0,0|1,0,0]=3 1996 B11R0.142 CC/C=C\CCC(=O)C(O)CC 1458a_100011196387_100015370543 [1,1,0,0,0,0|0,0,0]=2 1997 B11R0.142 CC/C=C\CCC(=O)C(O)CO 1458a_100011215603_100015370543 [1,1,0,0,0,0|1,0,0]=3 1998 B11R0.142 CC/C=C\CCN(C)C(C)CC 2230a_100000741768_100015370543 [1,1,0,0,0,0|2,0,0]=4 1999 B11R0.142 CC/C=C\CCN(C)C(C)CC 269982a_100000741768_100015370543 [1,1,0,0,0,0|2,0,0]=4 2000 B11R0.142 CC/C=C\COC(C)C(C)CC 7a_100011215189_100103147603 [1,1,0,0,0,0|1,0,1]=4 2001 B11R0.142 CCC/C=C/CC(=O)C(C)CC 1458a_200016266809_100000758301 [1,1,0,0,0,0|0,0,2]=4 2002 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100011192722_100000210757 [1,1,0,0,0,0|0,0,2]=4 2003 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100102632555_100000758301 [1,1,0,0,0,0|0,0,2]=4 2004 B11R0.142 CCCCCCC(=O)C(O)CC 1458a_100011196387_100000210757 [1,1,0,0,0,0|0,0,2]=4 2005 B11R0.142 CCCCCNC(=O)C(C)CC 11a_100000209983_100011192722 [1,1,0,0,0,0|1,0,1]=4 2006 B11R0.142 CCCCCNC(=O)C(C)CC 1626a_100000209983_100011192722 [1,1,0,0,0,0|1,0,1]=4 2007 B11R0.142 CCCCCNC(=O)C(C)CC 240690a_100000209983_100011192722 [1,1,0,0,0,0|1,0,1]=4 2008 B11R0.142 CCCCCNC(=O)C(C)CC 527a_100000209983_100011192722 [1,1,0,0,0,0|1,0,1]=4 2009 B11R0.142 CCCCCNC(=O)C(O)CC 240690a_100000209983_100011196387 [1,1,0,0,0,0|1,0,1]=4 2010 B11R0.142 CCCOCCC(=O)C(C)CC 1458a_100011192722_100011215938 [1,1,0,0,0,0|1,0,1]=4 2011 B11R0.142 CCCOCCC(=O)C(O)CC 1458a_100011196387_100011215938 [1,1,0,0,0,0|1,0,1]=4 2012 B11R0.142 CCOCCCC(=O)C(C)CC 1458a_100011192722_100012232248 [1,1,0,0,0,0|1,0,1]=4 2013 B11R0.142 CCOCCCC(=O)C(O)CC 1458a_100011196387_100012232248 [1,1,0,0,0,0|1,0,1]=4 2014 B11R0.142 CCOCCNC(=O)C(C)CC 11a_100011200944_100011192722 [1,1,0,0,0,0|2,0,0]=4 2015 B11R0.142 CCOCCNC(=O)C(C)CC 1626a_102516460346_100011192722 [1,1,0,0,0,0|2,0,0]=4 2016 B11R0.142 CCOCCNC(=O)C(C)CC 240690a_100011200944_100011192722 [1,1,0,0,0,0|2,0,0]=4 2017 B11R0.142 CCOCCNC(=O)C(C)CC 527a_100011200944_100011192722 [1,1,0,0,0,0|2,0,0]=4 2018 B11R0.142 CCOCCNC(=O)C(O)CC 240690a_100011200944_100011196387 [1,1,0,0,0,0|2,0,0]=4 2019 B11R0.142 CCSCCNC(=O)C(C)CC 11a_100000106463_100011192722 [1,1,0,0,0,0|2,0,0]=4 2020 B11R0.142 CCSCCNC(=O)C(C)CC 1626a_100000106463_100011192722 [1,1,0,0,0,0|2,0,0]=4 2021 B11R0.142 CCSCCNC(=O)C(C)CC 240690a_100000106463_100011192722 [1,1,0,0,0,0|2,0,0]=4 2022 B11R0.142 CCSCCNC(=O)C(C)CC 527a_100000106463_100011192722 [1,1,0,0,0,0|2,0,0]=4 2023 B11R0.142 CCSCCNC(=O)C(O)CC 240690a_100000106463_100011196387 [1,1,0,0,0,0|2,0,0]=4 2024 B11R0.155 CC/C=C\CC(=O)C(=O)NCC 1458a_200011297158_100103147603 [1,1,0,0,0,0|1,0,1]=4 2025 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100000211992_200011218191 [1,1,0,0,0,0|0,0,2]=4 2026 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100011215998_100000210303 [1,1,0,0,0,0|0,0,2]=4 2027 B11R0.155 CCCCCN(C)C(=O)CCC 11a_100000223495_100000211992 [1,1,0,0,0,0|1,0,1]=4 2028 B11R0.155 CCCCCN(C)C(=O)CCC 1626a_100000223495_100000211992 [1,1,0,0,0,0|1,0,1]=4 2029 B11R0.155 CCCCCN(C)C(=O)CCC 240690a_100000223495_100000211992 [1,1,0,0,0,0|1,0,1]=4 2030 B11R0.155 CCCCCN(C)C(=O)CCC 527a_100000223495_100000211992 [1,1,0,0,0,0|1,0,1]=4 2031 B11R0.161 C#CC(CCC)OC/C=C\CC 34a_200011217317_100103147603 [1,1,0,0,0,0|1,0,1]=4 2032 B11R0.161 C#CC(CCC)OC/C=C\CC 7a_200011217317_100103147603 [1,1,0,0,0,0|1,0,1]=4 2033 B11R0.161 C=CC(CCC)OC/C=C\CC 34a_100011216692_100103147603 [1,1,0,0,0,0|1,0,1]=4 2034 B11R0.161 C=CC(CCC)OC/C=C\CC 7a_100011216692_100103147603 [1,1,0,0,0,0|1,0,1]=4 2035 B11R0.161 CC/C=C\CCN(CC)CCC 2230a_100000226822_100015370543 [1,1,0,0,0,0|2,0,0]=4 2036 B11R0.161 CC/C=C\CCN(CC)CCC 269982a_100000226822_100015370543 [1,1,0,0,0,0|2,0,0]=4 2037 B11R0.161 CC/C=C\COC(C#N)CCC 34a_100000686963_100103147603 [1,1,0,0,0,0|1,0,1]=4 2038 B11R0.161 CC/C=C\COC(C#N)CCC 7a_100000686963_100103147603 [1,1,0,0,0,0|1,0,1]=4 2039 B11R0.161 CC/C=C\COC(CC)CCC 34a_100000687864_100103147603 [1,1,0,0,0,0|1,0,1]=4 2040 B11R0.161 CC/C=C\COC(CC)CCC 7a_100000687864_100103147603 [1,1,0,0,0,0|1,0,1]=4 2041 B11R0.174 CCCC(=O)CCCC(=O)NC 1458a_100000211992_100000741757 [1,1,0,0,0,0|1,0,1]=4 2042 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000211992_100011218270 [1,1,0,0,0,0|1,0,1]=4 2043 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210303 [1,1,0,0,0,0|1,0,1]=4 2044 B11R0.174 CCCC(=O)CCCN(C)CC 1458a_100000211992_100015186262 [1,1,0,0,0,0|1,0,1]=4 2045 B11R0.174 CCCC(=O)CCOC(=O)NC 1458a_100000211992_200011997002 [1,1,0,0,0,0|2,0,0]=4 2046 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747405_100000747444 [1,1,0,0,0,0|1,0,1]=4 2047 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747444_100000747405 [1,1,0,0,0,0|1,0,1]=4 2048 B11R0.174 CCCC(=O)NCCC(=O)NC 11a_100000738227_100000211992 [1,1,0,0,0,0|2,0,0]=4 2049 B11R0.174 CCCC(=O)NCCC(=O)NC 240690a_100000738227_100000211992 [1,1,0,0,0,0|2,0,0]=4 2050 B11R0.174 CCCC(=O)NCCC(=O)NC 527a_100000738227_100000211992 [1,1,0,0,0,0|2,0,0]=4 2051 B11R0.174 CCCC(=O)NCCC(=O)OC 188690a_100000683876_100000211992 [1,1,0,0,0,0|2,0,0]=4 2052 B11R0.174 CCCC(=O)NCCC(C)CC 11a_100020591266_100000211992 [1,1,0,0,0,0|1,0,1]=4 2053 B11R0.174 CCCC(=O)NCCC(C)CC 1626a_100020591266_100000211992 [1,1,0,0,0,0|1,0,1]=4 2054 B11R0.174 CCCC(=O)NCCC(C)CC 240690a_100020591266_100000211992 [1,1,0,0,0,0|1,0,1]=4 2055 B11R0.174 CCCC(=O)NCCC(C)CC 527a_100020591266_100000211992 [1,1,0,0,0,0|1,0,1]=4 2056 B11R0.174 CCCC(=O)OCNC(C)CC 2230a_100000209981_100000034017 [1,1,0,0,0,0|1,0,1]=4 2057 B11R0.174 CCCC(=O)OCSC(C)CC 62a_100000758301_100000034017 [1,1,0,0,0,0|1,0,1]=4 2058 B11R0.174 CCNC(=O)CCCC(=O)CC 1458a_100000199580_100000210202 [1,1,0,0,0,0|1,0,1]=4 2059 B11R0.174 CCNC(=O)CCNC(=O)CC 11a_100025743525_100000210414 [1,1,0,0,0,0|2,0,0]=4 2060 B11R0.174 CCNC(=O)CCNC(=O)CC 1626a_100025743525_100000210414 [1,1,0,0,0,0|2,0,0]=4 2061 B11R0.174 CCNC(=O)CCNC(=O)CC 240690a_100025743525_100000210414 [1,1,0,0,0,0|2,0,0]=4 2062 B11R0.174 CCNC(=O)CCNC(=O)CC 527a_100025743525_100000210414 [1,1,0,0,0,0|2,0,0]=4 2063 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210414_100011215271 [1,1,0,0,0,0|1,0,1]=4 2064 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210991_100000210202 [1,1,0,0,0,0|1,0,1]=4 2065 B11R0.174 CCOC(=O)CCNC(=O)CC 188690a_100000746078_100000210414 [1,1,0,0,0,0|2,0,0]=4 2066 B11R0.174 CCOC(=O)NCCC(=O)CC 1458a_100000210414_200011445536 [1,1,0,0,0,0|2,0,0]=4 2067 B11R0.176 C=C(C)COCOC(=O)CCC 34a_100000210245_100000034017 [1,1,0,0,0,0|1,0,1]=4 2068 B11R0.176 C=C(C)CSCOC(=O)CCC 62a_100000748629_100000034017 [1,1,0,0,0,0|1,0,1]=4 2069 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [1,1,0,0,0,0|1,0,1]=4 2070 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100000211992_100011216152 [1,1,0,0,0,0|0,0,2]=4 2071 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100011933920_100000210303 [1,1,0,0,0,0|0,0,2]=4 2072 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [1,1,0,0,0,0|2,0,0]=4 2073 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [1,1,0,0,0,0|2,0,0]=4 2074 B11R0.176 CCCC(=O)CCCOC(=S)C 1458a_100000211992_200135323944 [1,1,0,0,0,0|2,0,0]=4 2075 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [1,1,0,0,0,0|2,0,0]=4 2076 B11R0.176 CCCC(=O)CSCC=C(C)C 62a_100000747444_100000761012 [1,1,0,0,0,0|2,0,0]=4 2077 B11R0.176 CCCC(=O)CSCC=C(C)C 62a_100000761012_100000747444 [1,1,0,0,0,0|2,0,0]=4 2078 B11R0.176 CCCC(=O)NCCCC(C)C 11a_200000737386_100000211992 [1,1,0,0,0,0|1,0,1]=4 2079 B11R0.176 CCCC(=O)NCCCC(C)C 1626a_200000737386_100000211992 [1,1,0,0,0,0|1,0,1]=4 2080 B11R0.176 CCCC(=O)NCCCC(C)C 240690a_200000737386_100000211992 [1,1,0,0,0,0|1,0,1]=4 2081 B11R0.176 CCCC(=O)NCCCC(C)C 527a_200000737386_100000211992 [1,1,0,0,0,0|1,0,1]=4 2082 B11R0.176 CCCC(=O)NCCNC(=O)C 240690a_100000209853_100000211992 [1,1,0,0,0,0|2,0,0]=4 2083 B11R0.176 CCCC(=O)NCCNC(=O)C 527a_100000209853_100000211992 [1,1,0,0,0,0|2,0,0]=4 2084 B11R0.176 CCCC(=O)NCCOC(=O)C 11a_100000724843_100000211992 [1,1,0,0,0,0|2,0,0]=4 2085 B11R0.176 CCCC(=O)NCCOC(=O)C 240690a_100000724843_100000211992 [1,1,0,0,0,0|2,0,0]=4 2086 B11R0.176 CCCC(=O)NCCOC(=O)C 527a_100000724843_100000211992 [1,1,0,0,0,0|2,0,0]=4 2087 B11R0.176 CCCC(=O)NCCOC(C)C 11a_100000701111_100000211992 [1,1,0,0,0,0|2,0,0]=4 2088 B11R0.176 CCCC(=O)NCCOC(C)C 1626a_100000701111_100000211992 [1,1,0,0,0,0|2,0,0]=4 2089 B11R0.176 CCCC(=O)NCCOC(C)C 240690a_100000701111_100000211992 [1,1,0,0,0,0|2,0,0]=4 2090 B11R0.176 CCCC(=O)NCCOC(C)C 527a_100000701111_100000211992 [1,1,0,0,0,0|2,0,0]=4 2091 B11R0.176 CCCC(=O)NCCSC(=O)C 11a_100020647217_100000211992 [1,1,0,0,0,0|2,0,0]=4 2092 B11R0.176 CCCC(=O)NCCSC(=O)C 240690a_100020647217_100000211992 [1,1,0,0,0,0|2,0,0]=4 2093 B11R0.176 CCCC(=O)NCCSC(=O)C 527a_100020647217_100000211992 [1,1,0,0,0,0|2,0,0]=4 2094 B11R0.176 CCCC(=O)NCCSC(C)C 11a_100000731138_100000211992 [1,1,0,0,0,0|2,0,0]=4 2095 B11R0.176 CCCC(=O)NCCSC(C)C 1626a_100000731138_100000211992 [1,1,0,0,0,0|2,0,0]=4 2096 B11R0.176 CCCC(=O)NCCSC(C)C 240690a_100000731138_100000211992 [1,1,0,0,0,0|2,0,0]=4 2097 B11R0.176 CCCC(=O)NCCSC(C)C 527a_100000731138_100000211992 [1,1,0,0,0,0|2,0,0]=4 2098 B11R0.176 CCCC(=O)OCNCC(C)C 2230a_100000210953_100000034017 [1,1,0,0,0,0|1,0,1]=4 2099 B11R0.176 CCCC(=O)OCNCC(C)C 34a_100000210953_100000034017 [1,1,0,0,0,0|1,0,1]=4 2100 B11R0.176 CCCC(=O)OCNCC(C)O 2230a_100000210904_100000034017 [1,1,0,0,0,0|1,0,1]=4 2101 B11R0.176 CCCC(=O)OCNCC(C)O 34a_100000210904_100000034017 [1,1,0,0,0,0|1,0,1]=4 2102 B11R0.176 CCCC(=O)OCOCC(=O)C 34a_100000211253_100000034017 [1,1,0,0,0,0|1,0,1]=4 2103 B11R0.176 CCCC(=O)OCOCC(C)Br 34a_100012180447_100000034017 [1,1,0,0,0,0|1,0,1]=4 2104 B11R0.176 CCCC(=O)OCOCC(C)C 34a_100000210257_100000034017 [1,1,0,0,0,0|1,0,1]=4 2105 B11R0.176 CCCC(=O)OCOCC(C)F 34a_100015925927_100000034017 [1,1,0,0,0,0|1,0,1]=4 2106 B11R0.176 CCCC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100000034017 [1,1,0,0,0,0|1,0,1]=4 2107 B11R0.176 CCCC(=O)OCOC[C@@H](C)N 34a_100000737577_100000034017 [1,1,0,0,0,0|1,0,1]=4 2108 B11R0.176 CCCC(=O)OCSCC(C)C 62a_100000210624_100000034017 [1,1,0,0,0,0|1,0,1]=4 2109 B11R0.176 CCCC(=O)OCSCC(C)O 62a_100011218427_100000034017 [1,1,0,0,0,0|1,0,1]=4 2110 B11R0.176 CCCC(=O)OCSC[C@@H](C)O 62a_100009817552_100000034017 [1,1,0,0,0,0|1,0,1]=4 2111 B11R0.176 CCCC(C)OCCC=C(C)C 34a_100000764384_100011217483 [1,1,0,0,0,0|1,0,1]=4 2112 B11R0.176 CCCC(C)OCCC=C(C)C 7a_100000764384_100011217483 [1,1,0,0,0,0|1,0,1]=4 2113 B11R0.304 CC/C=C\COC(C)(C)CCC 7a_100000748436_100103147603 [1,1,0,0,0,0|1,0,1]=4 2114 B11R0.3 C#CCCCOCC/C=C\CC 34a_100000215630_100015370543 [1,1,0,0,0,0|0,0,2]=4 2115 B11R0.3 C#CCCCOCC/C=C\CC 34a_100016288707_100000695029 [1,1,0,0,0,0|0,0,2]=4 2116 B11R0.3 C#CCCCOCC/C=C\CC 7a_100000215630_100015370543 [1,1,0,0,0,0|0,0,2]=4 2117 B11R0.3 C#CCCCOCC/C=C\CC 7a_100016288707_100011215417 [1,1,0,0,0,0|0,0,2]=4 2118 B11R0.3 C/C=C/CCOCC/C=C\CC 34a_100016278192_100015370543 [1,1,0,0,0,0|0,0,2]=4 2119 B11R0.3 C=CCCCOCC/C=C\CC 34a_100000758997_100015370543 [1,1,0,0,0,0|0,0,2]=4 2120 B11R0.3 C=CCCCOCC/C=C\CC 34a_100016288707_100000757094 [1,1,0,0,0,0|0,0,2]=4 2121 B11R0.3 C=CCCCOCC/C=C\CC 7a_100000758997_100015370543 [1,1,0,0,0,0|0,0,2]=4 2122 B11R0.3 C=CCCCOCC/C=C\CC 7a_100016288707_100000757094 [1,1,0,0,0,0|0,0,2]=4 2123 B11R0.3 CC#CCCOCC/C=C\CC 34a_100000750427_100015370543 [1,1,0,0,0,0|0,0,2]=4 2124 B11R0.3 CC/C=C/CC/C=C/COCC 34a_100016264143_100000210202 [1,1,0,0,0,0|1,0,0]=3 2125 B11R0.3 CC/C=C/CC/C=C/COCC 7a_100016264143_100000210202 [1,1,0,0,0,0|1,0,0]=3 2126 B11R0.3 CC/C=C/CC/C=C/COCF 34a_100016264143_100015361967 [1,1,0,0,0,0|2,0,0]=4 2127 B11R0.3 CC/C=C/CC/C=C/COCF 7a_100016264143_100015361967 [1,1,0,0,0,0|2,0,0]=4 2128 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [1,1,0,0,0,0|0,0,1]=3 2129 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [1,1,0,0,0,0|0,0,1]=3 2130 B11R0.3 CC/C=C/CCCOCCCF 34a_100016287902_100011934791 [1,1,0,0,0,0|1,0,1]=4 2131 B11R0.3 CC/C=C/CCCOCCCF 7a_100016287902_100011934791 [1,1,0,0,0,0|1,0,1]=4 2132 B11R0.3 CC/C=C/CCCOCCCO 34a_100016287902_100000230001 [1,1,0,0,0,0|1,0,1]=4 2133 B11R0.3 CC/C=C/CCCOCCCO 7a_100016287902_100011215043 [1,1,0,0,0,0|1,0,1]=4 2134 B11R0.3 CC/C=C/CCCOCCOC 34a_100016287902_100011201679 [1,1,0,0,0,0|1,0,1]=4 2135 B11R0.3 CC/C=C/CCCOCCOC 7a_100016287902_100000233755 [1,1,0,0,0,0|1,0,1]=4 2136 B11R0.3 CC/C=C/CCCOCCSC 34a_100016287902_100000212216 [1,1,0,0,0,0|1,0,1]=4 2137 B11R0.3 CC/C=C/CCCOCCSC 7a_100016287902_100000212216 [1,1,0,0,0,0|1,0,1]=4 2138 B11R0.3 CC/C=C\CCC=NNCCC 4a_100000740057_100016279218 [1,1,0,0,0,0|2,0,0]=4 2139 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [1,1,0,0,0,0|1,0,1]=4 2140 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [1,1,0,0,0,0|1,0,1]=4 2141 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [1,1,0,0,0,0|1,0,1]=4 2142 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [1,1,0,0,0,0|1,0,1]=4 2143 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [1,1,0,0,0,0|1,0,1]=4 2144 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [1,1,0,0,0,0|1,0,1]=4 2145 B11R0.3 CC/C=C\CCNCCCCO 2230a_100000750430_100015370543 [1,1,0,0,0,0|1,0,1]=4 2146 B11R0.3 CC/C=C\CCNCCCCO 34a_100000750430_100015370543 [1,1,0,0,0,0|1,0,1]=4 2147 B11R0.3 CC/C=C\CCNCCCOC 34a_100150723488_100015370543 [1,1,0,0,0,0|1,0,1]=4 2148 B11R0.3 CC/C=C\CCNCCCSC 2230a_100000749238_100015370543 [1,1,0,0,0,0|1,0,1]=4 2149 B11R0.3 CC/C=C\CCNCCOCC 2230a_102516460346_100015370543 [1,1,0,0,0,0|1,0,1]=4 2150 B11R0.3 CC/C=C\CCNCCOCC 34a_102516460346_100015370543 [1,1,0,0,0,0|1,0,1]=4 2151 B11R0.3 CC/C=C\CCNCCSCC 2230a_100000106463_100015370543 [1,1,0,0,0,0|1,0,1]=4 2152 B11R0.3 CC/C=C\CCOC/C=C\CC 34a_100016268518_100015370543 [1,1,0,0,0,0|0,0,1]=3 2153 B11R0.3 CC/C=C\CCOC/C=C\CC 34a_100016288707_100103147603 [1,1,0,0,0,0|0,0,1]=3 2154 B11R0.3 CC/C=C\CCOC/C=C\CC 7a_100016288707_100103147603 [1,1,0,0,0,0|0,0,1]=3 2155 B11R0.3 CC/C=C\CCOCCCC#N 7a_100016288707_100000687738 [1,1,0,0,0,0|0,0,2]=4 2156 B11R0.3 CC/C=C\CCOCCCC=O 7a_100016288707_200011292268 [1,1,0,0,0,0|0,0,2]=4 2157 B11R0.3 CC/C=C\CCOCCCCBr 34a_100011216708_100015370543 [1,1,0,0,0,0|0,0,1]=3 2158 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [1,1,0,0,0,0|0,0,1]=3 2159 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [1,1,0,0,0,0|0,0,1]=3 2160 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [1,1,0,0,0,0|0,0,1]=3 2161 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [1,1,0,0,0,0|0,0,1]=3 2162 B11R0.3 CC/C=C\CCOCCCCCl 34a_100000210776_100015370543 [1,1,0,0,0,0|0,0,1]=3 2163 B11R0.3 CC/C=C\CCOCCCCCl 7a_100000210776_100015370543 [1,1,0,0,0,0|0,0,1]=3 2164 B11R0.3 CC/C=C\CCOCCCCF 34a_100011995726_100015370543 [1,1,0,0,0,0|0,0,1]=3 2165 B11R0.3 CC/C=C\CCOCCCCF 34a_100016288707_100000729493 [1,1,0,0,0,0|0,0,1]=3 2166 B11R0.3 CC/C=C\CCOCCCCF 7a_100011995726_100015370543 [1,1,0,0,0,0|0,0,1]=3 2167 B11R0.3 CC/C=C\CCOCCCCF 7a_100016288707_100000729493 [1,1,0,0,0,0|0,0,1]=3 2168 B11R0.3 CC/C=C\CCOCCCCI 34a_200012148704_100015370543 [1,1,0,0,0,0|0,0,1]=3 2169 B11R0.3 CC/C=C\CCOCCCCN 34a_100000750430_100015370543 [1,1,0,0,0,0|0,0,1]=3 2170 B11R0.3 CC/C=C\CCOCCCCO 34a_100016288707_100011216708 [1,1,0,0,0,0|0,0,1]=3 2171 B11R0.3 CC/C=C\CCOCCCCO 7a_100016288707_100000210776 [1,1,0,0,0,0|0,0,1]=3 2172 B11R0.3 CC/C=C\CCOCCCNC 34a_100000213112_100015370543 [1,1,0,0,0,0|0,0,1]=3 2173 B11R0.3 CC/C=C\CCOCCCOC 34a_100000740835_100015370543 [1,1,0,0,0,0|0,0,1]=3 2174 B11R0.3 CC/C=C\CCOCCCOC 34a_100016288707_100000740836 [1,1,0,0,0,0|0,0,1]=3 2175 B11R0.3 CC/C=C\CCOCCCOC 7a_100016288707_100000740836 [1,1,0,0,0,0|0,0,1]=3 2176 B11R0.3 CC/C=C\CCOCCCSC 34a_100000690336_100015370543 [1,1,0,0,0,0|0,0,1]=3 2177 B11R0.3 CC/C=C\CCOCCCSC 7a_100000690336_100015370543 [1,1,0,0,0,0|0,0,1]=3 2178 B11R0.3 CC/C=C\CCOCCOCC 34a_100000210136_100015370543 [1,1,0,0,0,0|0,0,1]=3 2179 B11R0.3 CC/C=C\CCOCCOCC 34a_100016288707_100000210147 [1,1,0,0,0,0|0,0,1]=3 2180 B11R0.3 CC/C=C\CCOCCOCC 7a_100000210136_100015370543 [1,1,0,0,0,0|0,0,1]=3 2181 B11R0.3 CC/C=C\CCOCCOCC 7a_100016288707_100011215890 [1,1,0,0,0,0|0,0,1]=3 2182 B11R0.3 CC/C=C\CCOCCSCC 34a_100000212035_100015370543 [1,1,0,0,0,0|0,0,1]=3 2183 B11R0.3 CC/C=C\CCOCCSCC 34a_100016288707_100000757381 [1,1,0,0,0,0|0,0,1]=3 2184 B11R0.3 CC/C=C\CCOCCSCC 7a_100000212035_100015370543 [1,1,0,0,0,0|0,0,1]=3 2185 B11R0.3 CC/C=C\CCOCCSCC 7a_100016288707_100000757381 [1,1,0,0,0,0|0,0,1]=3 2186 B11R0.3 CC/C=C\CCSC/C=C\CC 62a_100015370543_100103147603 [1,1,0,0,0,0|0,1,1]=4 2187 B11R0.3 CC/C=C\CCSC/C=C\CC 62a_100103147603_100015370543 [1,1,0,0,0,0|0,1,1]=4 2188 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [1,1,0,0,0,0|0,1,1]=4 2189 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [1,1,0,0,0,0|0,1,1]=4 2190 B11R0.3 CC/C=C\CCSCCCCF 62a_100000729493_100015370543 [1,1,0,0,0,0|0,1,1]=4 2191 B11R0.3 CC/C=C\CCSCCCCF 62a_100015370543_100000729493 [1,1,0,0,0,0|0,1,1]=4 2192 B11R0.3 CC/C=C\CCSCCCCO 62a_100000210776_100015370543 [1,1,0,0,0,0|0,1,1]=4 2193 B11R0.3 CC/C=C\CCSCCCCO 62a_100015370543_100000210776 [1,1,0,0,0,0|0,1,1]=4 2194 B11R0.3 CC/C=C\CCSCCCOC 62a_100000709357_100015370543 [1,1,0,0,0,0|0,1,1]=4 2195 B11R0.3 CC/C=C\CCSCCCOC 62a_100015370543_100000709357 [1,1,0,0,0,0|0,1,1]=4 2196 B11R0.3 CC/C=C\CCSCCOCC 62a_100000210147_100015370543 [1,1,0,0,0,0|0,1,1]=4 2197 B11R0.3 CC/C=C\CCSCCOCC 62a_100015370543_100011215890 [1,1,0,0,0,0|0,1,1]=4 2198 B11R0.3 CC/C=C\CCSCCSCC 62a_100000757381_100015370543 [1,1,0,0,0,0|0,1,1]=4 2199 B11R0.3 CC/C=C\CCSCCSCC 62a_100015370543_100000757381 [1,1,0,0,0,0|0,1,1]=4 2200 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [1,1,0,0,0,0|1,0,1]=4 2201 B11R0.3 CC/C=C\CNCCOCCC 2230a_100161115042_100103147603 [1,1,0,0,0,0|2,0,0]=4 2202 B11R0.3 CC/C=C\CNCCOCCC 34a_100161115042_100103147603 [1,1,0,0,0,0|2,0,0]=4 2203 B11R0.3 CC/C=C\CNCCSCCC 2230a_100020603323_100103147603 [1,1,0,0,0,0|2,0,0]=4 2204 B11R0.3 CC/C=C\COC/C=C/CCC 34a_100016278788_100103147603 [1,1,0,0,0,0|1,0,0]=3 2205 B11R0.3 CC/C=C\COC/C=C/CCC 7a_100016278788_100103147603 [1,1,0,0,0,0|1,0,0]=3 2206 B11R0.3 CC/C=C\COCC#CCCC 34a_100000034806_100103147603 [1,1,0,0,0,0|1,0,1]=4 2207 B11R0.3 CC/C=C\COCC#CCCC 7a_100000034806_100103147603 [1,1,0,0,0,0|1,0,1]=4 2208 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [1,1,0,0,0,0|1,0,1]=4 2209 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [1,1,0,0,0,0|1,0,1]=4 2210 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [1,1,0,0,0,0|1,0,1]=4 2211 B11R0.3 CC/C=C\COCCOCCC 34a_100000752267_100103147603 [1,1,0,0,0,0|2,0,0]=4 2212 B11R0.3 CC/C=C\COCCOCCC 34a_100016268518_100011215938 [1,1,0,0,0,0|2,0,0]=4 2213 B11R0.3 CC/C=C\COCCOCCC 7a_100000752267_100103147603 [1,1,0,0,0,0|2,0,0]=4 2214 B11R0.3 CC/C=C\COCCSCCC 34a_200000230433_100103147603 [1,1,0,0,0,0|2,0,0]=4 2215 B11R0.3 CC/C=C\COCCSCCC 7a_200000230433_100103147603 [1,1,0,0,0,0|2,0,0]=4 2216 B11R0.3 CC/C=C\COCOCCCC 34a_100016268518_100011995733 [1,1,0,0,0,0|0,0,1]=3 2217 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [1,1,0,0,0,0|1,0,1]=4 2218 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [1,1,0,0,0,0|1,0,1]=4 2219 B11R0.3 CC/C=C\CSCCOCCC 62a_100011215938_100103147603 [1,1,0,0,0,0|2,0,0]=4 2220 B11R0.3 CC/C=C\CSCCOCCC 62a_100103147603_100011215938 [1,1,0,0,0,0|2,0,0]=4 2221 B11R0.3 CC/C=C\CSCOCCCC 62a_100011995733_100103147603 [1,1,0,0,0,0|0,0,1]=3 2222 B11R0.3 CC/C=C\CSCOCCCC 62a_100103147603_100011995733 [1,1,0,0,0,0|0,0,1]=3 2223 B11R0.3 CC/C=C\CSCOCCOC 62a_100000231047_100103147603 [1,1,0,0,0,0|1,0,1]=4 2224 B11R0.3 CC/C=C\CSCOCCOC 62a_100103147603_100000231047 [1,1,0,0,0,0|1,0,1]=4 2225 B11R0.3 CCC#CCOCC/C=C\CC 34a_100000032950_100015370543 [1,1,0,0,0,0|0,0,2]=4 2226 B11R0.3 CCC#CCOCC/C=C\CC 34a_100016288707_100009813939 [1,1,0,0,0,0|0,0,2]=4 2227 B11R0.3 CCC#CCOCC/C=C\CC 7a_100016288707_100009813939 [1,1,0,0,0,0|0,0,2]=4 2228 B11R0.40 CC/C=C/CCCOC(C)CC 34a_100016287902_100011215416 [1,1,0,0,0,0|2,0,0]=4 2229 B11R0.40 CC/C=C/CCCOC(C)CC 7a_100016287902_100000758301 [1,1,0,0,0,0|2,0,0]=4 2230 B11R0.40 CC/C=C\CCNCC(C)CC 2230a_100020588543_100015370543 [1,1,0,0,0,0|1,0,1]=4 2231 B11R0.40 CC/C=C\CCNCC(O)CC 2230a_100011218483_100015370543 [1,1,0,0,0,0|1,0,1]=4 2232 B11R0.40 CC/C=C\CCOCC(=O)CC 34a_100000725409_100015370543 [1,1,0,0,0,0|0,0,2]=4 2233 B11R0.40 CC/C=C\CCOCC(=O)CC 7a_100016288707_100000747405 [1,1,0,0,0,0|0,0,2]=4 2234 B11R0.40 CC/C=C\CCOCC(C)CC 34a_100016288707_100000748023 [1,1,0,0,0,0|0,0,1]=3 2235 B11R0.40 CC/C=C\CCOCC(C)CC 7a_100016288707_100000748023 [1,1,0,0,0,0|0,0,1]=3 2236 B11R0.40 CC/C=C\CCOCC(C)CN 34a_100000744482_100015370543 [1,1,0,0,0,0|1,0,1]=4 2237 B11R0.40 CC/C=C\CCOCC(C)OC 34a_100000690652_100015370543 [1,1,0,0,0,0|1,0,1]=4 2238 B11R0.40 CC/C=C\CCOCC(Cl)CCl 34a_100000033668_100015370543 [1,1,0,0,0,0|1,0,1]=4 2239 B11R0.40 CC/C=C\CCOCC(O)CC 34a_100016288707_100011218378 [1,1,0,0,0,0|0,0,1]=3 2240 B11R0.40 CC/C=C\CCOCC(O)CC 7a_100016288707_100011218378 [1,1,0,0,0,0|0,0,1]=3 2241 B11R0.40 CC/C=C\CCOCC(O)CO 34a_100016288707_100011219619 [1,1,0,0,0,0|1,0,1]=4 2242 B11R0.40 CC/C=C\CCOCC(O)CO 7a_100016288707_100011219619 [1,1,0,0,0,0|1,0,1]=4 2243 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 34a_100016288707_100009816398 [1,1,0,0,0,0|0,0,1]=3 2244 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 7a_100009816381_100015370543 [1,1,0,0,0,0|0,0,1]=3 2245 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 7a_100016288707_100009816398 [1,1,0,0,0,0|0,0,1]=3 2246 B11R0.40 CC/C=C\CCOC[C@@H](C)CO 34a_100016288707_100000059175 [1,1,0,0,0,0|1,0,1]=4 2247 B11R0.40 CC/C=C\CCOC[C@@H](C)CO 7a_100016288707_100000059175 [1,1,0,0,0,0|1,0,1]=4 2248 B11R0.40 CC/C=C\CCOC[C@@H](O)CF 34a_100016288707_100015614560 [1,1,0,0,0,0|1,0,1]=4 2249 B11R0.40 CC/C=C\CCOC[C@@H](O)CF 7a_100016288707_100015614560 [1,1,0,0,0,0|1,0,1]=4 2250 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 34a_100016288707_100009815848 [1,1,0,0,0,0|1,0,1]=4 2251 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 7a_100016288707_100009815848 [1,1,0,0,0,0|1,0,1]=4 2252 B11R0.40 CC/C=C\CCOC[C@H](F)CN 34a_100015665980_100015370543 [1,1,0,0,0,0|1,0,1]=4 2253 B11R0.40 CC/C=C\CCSCC(C)CC 62a_100000748023_100015370543 [1,1,0,0,0,0|0,1,1]=4 2254 B11R0.40 CC/C=C\CCSCC(C)CC 62a_100015370543_100000748023 [1,1,0,0,0,0|0,1,1]=4 2255 B11R0.40 CC/C=C\CCSCC(O)CC 62a_100011218378_100015370543 [1,1,0,0,0,0|0,1,1]=4 2256 B11R0.40 CC/C=C\CCSCC(O)CC 62a_100015370543_100011218378 [1,1,0,0,0,0|0,1,1]=4 2257 B11R0.40 CC/C=C\CCSC[C@@H](C)CC 62a_100009816398_100015370543 [1,1,0,0,0,0|0,1,1]=4 2258 B11R0.40 CC/C=C\CCSC[C@@H](C)CC 62a_100015370543_100009816398 [1,1,0,0,0,0|0,1,1]=4 2259 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [1,1,0,0,0,0|1,0,1]=4 2260 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [1,1,0,0,0,0|1,0,1]=4 2261 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [1,1,0,0,0,0|1,0,1]=4 2262 B11R0.140 CC/C=C\CC(=O)C=CCCC 1458a_100000212230_100103147603 [1,1,0,0,0,0|1,0,1]=4 2263 B11R0.148 C=C(C)CCOCC/C=C\CC 34a_100000764851_100015370543 [1,1,0,0,0,0|0,0,2]=4 2264 B11R0.148 C=C(C)CCOCC/C=C\CC 34a_100016288707_100000730704 [1,1,0,0,0,0|0,0,2]=4 2265 B11R0.148 C=C(C)CCOCC/C=C\CC 7a_100016288707_100000730704 [1,1,0,0,0,0|0,0,2]=4 2266 B11R0.148 CC/C=C/CCCOCC(C)C 34a_100016287902_100000210624 [1,1,0,0,0,0|2,0,0]=4 2267 B11R0.148 CC/C=C/CCCOCC(C)C 7a_100016287902_100000210760 [1,1,0,0,0,0|2,0,0]=4 2268 B11R0.148 CC/C=C/CCCOCC(C)O 34a_100016287902_100011218427 [1,1,0,0,0,0|2,0,0]=4 2269 B11R0.148 CC/C=C/CCCOCC(C)O 7a_100016287902_100011218427 [1,1,0,0,0,0|2,0,0]=4 2270 B11R0.148 CC/C=C/CCCOC[C@@H](C)O 34a_100016287902_100009817552 [1,1,0,0,0,0|2,0,0]=4 2271 B11R0.148 CC/C=C/CCCOC[C@@H](C)O 7a_100016287902_100009817552 [1,1,0,0,0,0|2,0,0]=4 2272 B11R0.148 CC/C=C\CCNCCC(C)O 2230a_200000755665_100015370543 [1,1,0,0,0,0|1,0,1]=4 2273 B11R0.148 CC/C=C\CCOCCC(=O)C 34a_100000759926_100015370543 [1,1,0,0,0,0|0,0,2]=4 2274 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100000759926_100015370543 [1,1,0,0,0,0|0,0,2]=4 2275 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100016288707_100000053229 [1,1,0,0,0,0|0,0,2]=4 2276 B11R0.148 CC/C=C\CCOCCC(C)Br 34a_100009893172_100015370543 [1,1,0,0,0,0|0,0,1]=3 2277 B11R0.148 CC/C=C\CCOCCC(C)C 34a_100000210254_100015370543 [1,1,0,0,0,0|0,0,1]=3 2278 B11R0.148 CC/C=C\CCOCCC(C)C 34a_100016288707_100000210312 [1,1,0,0,0,0|0,0,1]=3 2279 B11R0.148 CC/C=C\CCOCCC(C)C 7a_100000210254_100015370543 [1,1,0,0,0,0|0,0,1]=3 2280 B11R0.148 CC/C=C\CCOCCC(C)C 7a_100016288707_100000210626 [1,1,0,0,0,0|0,0,1]=3 2281 B11R0.148 CC/C=C\CCOCCC(C)O 34a_100016288707_100012276601 [1,1,0,0,0,0|0,0,1]=3 2282 B11R0.148 CC/C=C\CCOCCC(C)O 7a_100016288707_100012276601 [1,1,0,0,0,0|0,0,1]=3 2283 B11R0.148 CC/C=C\CCOCCC(F)F 34a_100103093639_100015370543 [1,1,0,0,0,0|1,0,1]=4 2284 B11R0.148 CC/C=C\CCOCCN(C)C 7a_100016288707_100000755713 [1,1,0,0,0,0|1,0,1]=4 2285 B11R0.148 CC/C=C\CCOCC[C@@H](C)N 34a_100000706166_100015370543 [1,1,0,0,0,0|0,0,1]=3 2286 B11R0.148 CC/C=C\CCOCOC(C)C 34a_100016288707_100000709892 [1,1,0,0,0,0|1,0,1]=4 2287 B11R0.148 CC/C=C\CCSCCC(C)C 62a_100000210312_100015370543 [1,1,0,0,0,0|0,1,1]=4 2288 B11R0.148 CC/C=C\CCSCCC(C)C 62a_100015370543_100000210312 [1,1,0,0,0,0|0,1,1]=4 2289 B11R0.148 CC/C=C\CCSCCC(C)O 62a_100012276601_100015370543 [1,1,0,0,0,0|0,1,1]=4 2290 B11R0.148 CC/C=C\CCSCCC(C)O 62a_100015370543_100012276601 [1,1,0,0,0,0|0,1,1]=4 2291 B11R0.42 CC/C=C\CCOC(C)C(C)C 7a_100000748068_100015370543 [1,1,0,0,0,0|1,0,1]=4 2292 B11R0.42 CC/C=C\COCC(=O)C(C)C 34a_100016268518_100000753385 [1,1,0,0,0,0|2,0,0]=4 2293 B11R0.42 CC/C=C\CSCC(=O)C(C)C 62a_100000753385_100103147603 [1,1,0,0,0,0|2,0,0]=4 2294 B11R0.42 CC/C=C\CSCC(=O)C(C)C 62a_100103147603_100000753385 [1,1,0,0,0,0|2,0,0]=4 2295 B11R0.49 CC/C=C\CCOC(C)(C)CC 7a_100000210230_100015370543 [1,1,0,0,0,0|1,0,1]=4 2296 B11R0.49 CC/C=C\CCOC(C)(C)CC 7a_100016288707_100000210677 [1,1,0,0,0,0|1,0,1]=4 2297 B11R0.106 CCC(=O)NCCNC(=O)CC 11a_100132302217_100000210414 [1,1,0,0,0,0|2,0,0]=4 2298 B11R0.106 CCC(=O)NCCNC(=O)CC 1626a_100132302217_100000210414 [1,1,0,0,0,0|2,0,0]=4 2299 B11R0.106 CCC(=O)NCCNC(=O)CC 240690a_100132302217_100000210414 [1,1,0,0,0,0|2,0,0]=4 2300 B11R0.106 CCC(=O)NCCNC(=O)CC 527a_100132302217_100000210414 [1,1,0,0,0,0|2,0,0]=4 2301 B11R0.106 CCC(=O)OCCOC(C)CC 7a_200000031056_100000758301 [1,1,0,0,0,0|1,0,1]=4 2302 B11R0.111 CCC(=O)OCCOCC(C)C 7a_200000031056_100000210760 [1,1,0,0,0,0|1,0,1]=4 2303 B11R0.111 CCC(=O)OCCOCC(C)O 7a_200000031056_100011218427 [1,1,0,0,0,0|1,0,1]=4 2304 B11R0.111 CCC(=O)OCCOC[C@@H](C)O 7a_200000031056_100009817552 [1,1,0,0,0,0|1,0,1]=4 2305 B11R0.124 C#CC(CC)OCC/C=C\CC 34a_100000758843_100015370543 [1,1,0,0,0,0|1,0,1]=4 2306 B11R0.124 C#CC(CC)OCC/C=C\CC 7a_100000758843_100015370543 [1,1,0,0,0,0|1,0,1]=4 2307 B11R0.124 C=CC(CC)OCC/C=C\CC 34a_100000766422_100015370543 [1,1,0,0,0,0|1,0,1]=4 2308 B11R0.124 C=CC(CC)OCC/C=C\CC 7a_100000766422_100015370543 [1,1,0,0,0,0|1,0,1]=4 2309 B11R0.124 CC/C=C\CCOC(CC)CC 7a_100000688536_100015370543 [1,1,0,0,0,0|1,0,1]=4 2310 B11R0.124 CC/C=C\CCOC(CC)CC 7a_100016288707_100000210505 [1,1,0,0,0,0|1,0,1]=4 2311 B11R0.154 CC/C=C/CC(=O)CC(=O)CC 1458a_100016274230_100000747405 [1,1,0,0,0,0|1,0,1]=4 2312 B13R0.2 C/C=C/C=C/COCOC(=O)CCC 34a_100016283227_100000034017 [0,2,0,0,0,0|0,0,1]=3 2313 B13R0.2 CC/C=C/CCCOCC(=O)CCC 7a_100016287902_100000747444 [0,2,0,0,0,0|0,0,0]=2 2314 B13R0.2 CC/C=C/CCCOCC(=O)NCC 34a_100016287902_100000183381 [0,2,0,0,0,0|1,0,0]=3 2315 B13R0.2 CC/C=C/CCCOCC(=O)NCC 7a_100016287902_100000183381 [0,2,0,0,0,0|1,0,0]=3 2316 B13R0.2 CC/C=C/CCCOCC(=O)NCO 34a_100016287902_100000185155 [0,2,0,0,0,0|2,0,0]=4 2317 B13R0.2 CC/C=C/CCCOCC(=O)NCO 7a_100016287902_100000185155 [0,2,0,0,0,0|2,0,0]=4 2318 B13R0.2 CC/C=C/CCCOCC(=O)OCC 34a_100016287902_100000188475 [0,2,0,0,0,0|1,0,0]=3 2319 B13R0.2 CC/C=C/CCCOCC(=O)OCC 7a_100016287902_100000188475 [0,2,0,0,0,0|1,0,0]=3 2320 B13R0.2 CC/C=C/CCCOCC(C)CCC 34a_100016287902_100011216630 [0,2,0,0,0,0|1,0,1]=4 2321 B13R0.2 CC/C=C/CCCOCC(C)CCC 7a_100016287902_100011216630 [0,2,0,0,0,0|1,0,1]=4 2322 B13R0.2 CC/C=C\CCC=NNC(=O)CCC 4a_100000189770_100016279218 [0,2,0,0,0,0|1,0,0]=3 2323 B13R0.2 CC/C=C\CCC=NNC(=O)COC 4a_100000216845_100016279218 [0,2,0,0,0,0|2,0,0]=4 2324 B13R0.2 CC/C=C\CCCCOC(C)CCC 34a_100016287862_100000766640 [0,2,0,0,0,0|1,0,1]=4 2325 B13R0.2 CC/C=C\CCCCOC(C)CCC 7a_100016287862_100000766640 [0,2,0,0,0,0|1,0,1]=4 2326 B13R0.2 CC/C=C\CCNCCC(=O)NCC 34a_100025743525_100015370543 [0,2,0,0,0,0|2,0,0]=4 2327 B13R0.2 CC/C=C\CCOCCC(=O)NCC 7a_100016288707_100000737597 [0,2,0,0,0,0|1,0,0]=3 2328 B13R0.2 CC/C=C\CCOCCC(=O)OCC 34a_100016288707_100000765890 [0,2,0,0,0,0|1,0,0]=3 2329 B13R0.2 CC/C=C\CCOCCC(=O)OCC 7a_100016288707_100011206558 [0,2,0,0,0,0|1,0,0]=3 2330 B13R0.2 CC/C=C\CCOCCC(C)CCC 34a_100011217855_100015370543 [0,2,0,0,0,0|1,0,1]=4 2331 B13R0.2 CC/C=C\CCOCCC(C)CCC 7a_100011217855_100015370543 [0,2,0,0,0,0|1,0,1]=4 2332 B13R0.2 CC/C=C\CCOCC[C@@H](N)CCC 34a_100015193777_100015370543 [0,2,0,0,0,0|1,0,1]=4 2333 B13R0.2 CC/C=C\CCOCOC(=O)CCC 34a_100016288707_100000034017 [0,2,0,0,0,0|0,0,0]=2 2334 B13R0.2 CC/C=C\CCSCCC(=O)NCC 62a_100000737597_100015370543 [0,2,0,0,0,0|1,1,0]=4 2335 B13R0.2 CC/C=C\CCSCCC(=O)NCC 62a_100015370543_100000737597 [0,2,0,0,0,0|1,1,0]=4 2336 B13R0.2 CC/C=C\CCSCCC(=O)OCC 62a_100000765890_100015370543 [0,2,0,0,0,0|1,1,0]=4 2337 B13R0.2 CC/C=C\CCSCCC(=O)OCC 62a_100015370543_100000765890 [0,2,0,0,0,0|1,1,0]=4 2338 B13R0.2 CC/C=C\CCSCOC(=O)CCC 62a_100015370543_100000034017 [0,2,0,0,0,0|0,0,0]=2 2339 B13R0.2 CC/C=C\CCSCOC(=O)OCC 62a_100015370543_100000075025 [0,2,0,0,0,0|1,0,0]=3 2340 B13R0.2 CC/C=C\COC/C=C/C(=O)OCC 34a_100016268518_100016267167 [0,2,0,0,0,0|2,0,0]=4 2341 B13R0.2 CC/C=C\COCCCC(=O)OCC 34a_100016268518_100009991533 [0,2,0,0,0,0|2,0,0]=4 2342 B13R0.2 CC/C=C\COCCCC(=O)OCC 7a_100012001163_100103147603 [0,2,0,0,0,0|2,0,0]=4 2343 B13R0.2 CC/C=C\COCCNC(=O)OCC 34a_100000158857_100103147603 [0,2,0,0,0,0|2,0,0]=4 2344 B13R0.2 CC/C=C\CSC/C=C/C(=O)OCC 62a_100016267167_100103147603 [0,2,0,0,0,0|2,0,0]=4 2345 B13R0.2 CC/C=C\CSC/C=C/C(=O)OCC 62a_100103147603_100016267167 [0,2,0,0,0,0|2,0,0]=4 2346 B13R0.2 CC/C=C\CSCCCC(=O)OCC 62a_100009991533_100103147603 [0,2,0,0,0,0|2,0,0]=4 2347 B13R0.2 CC/C=C\CSCCCC(=O)OCC 62a_100103147603_100009991533 [0,2,0,0,0,0|2,0,0]=4 2348 B13R0.2 CC/C=C\CSCCNC(=O)OCC 62a_100103147603_200011445536 [0,2,0,0,0,0|2,0,0]=4 2349 B13R0.2 CC=C=CCCOCOC(=O)CCC 34a_100011020354_100000034017 [0,2,0,0,0,0|0,0,2]=4 2350 B13R0.2 CC=CCCCOCOC(=O)CCC 34a_100020645299_100000034017 [0,2,0,0,0,0|0,0,2]=4 2351 B13R0.2 CCC#CCCOCOC(=O)CCC 34a_100000036655_100000034017 [0,2,0,0,0,0|0,0,2]=4 2352 B13R0.2 CCC/C=C/COCCC(=O)NCC 7a_100016278788_100000737597 [0,2,0,0,0,0|2,0,0]=4 2353 B13R0.2 CCC/C=C/COCCC(=O)OCC 34a_100016278788_100000765890 [0,2,0,0,0,0|2,0,0]=4 2354 B13R0.2 CCC/C=C/COCCC(=O)OCC 7a_100016278788_100011206558 [0,2,0,0,0,0|2,0,0]=4 2355 B13R0.2 CCC/C=C/COCOC(=O)CCC 34a_100016278788_100000034017 [0,2,0,0,0,0|0,0,0]=2 2356 B13R0.2 CCCC#CCCOCC(=O)CCC 7a_100000042726_100000747444 [0,2,0,0,0,0|0,0,2]=4 2357 B13R0.2 CCCC#CCOCOC(=O)CCC 34a_100000034806_100000034017 [0,2,0,0,0,0|0,0,2]=4 2358 B13R0.2 CCCC(=O)COCCCCCCBr 7a_100011215345_100000747444 [0,2,0,0,0,0|0,0,2]=4 2359 B13R0.2 CCCC(=O)COCCCCCCCl 7a_100000766143_100000747444 [0,2,0,0,0,0|0,0,2]=4 2360 B13R0.2 CCCC(=O)COCCCCCCF 7a_100000732779_100000747444 [0,2,0,0,0,0|0,0,2]=4 2361 B13R0.2 CCCC(=O)COCCOCCOC 1458a_100011214951_100000210303 [0,2,0,0,0,0|1,0,1]=4 2362 B13R0.2 CCCC(=O)COCCOCCOC 7a_100011215163_100000747444 [0,2,0,0,0,0|1,0,1]=4 2363 B13R0.2 CCCC(=O)OCNCCCCCO 2230a_100000762737_100000034017 [0,2,0,0,0,0|0,0,2]=4 2364 B13R0.2 CCCC(=O)OCNCCCCCO 34a_100000762737_100000034017 [0,2,0,0,0,0|0,0,2]=4 2365 B13R0.2 CCCC(=O)OCNCCCOCC 2230a_100000210961_100000034017 [0,2,0,0,0,0|0,0,2]=4 2366 B13R0.2 CCCC(=O)OCNCCCOCC 34a_100000210961_100000034017 [0,2,0,0,0,0|0,0,2]=4 2367 B13R0.2 CCCC(=O)OCNCCOCCO 2230a_100000211614_100000034017 [0,2,0,0,0,0|1,0,1]=4 2368 B13R0.2 CCCC(=O)OCNCCOCCO 34a_100000211614_100000034017 [0,2,0,0,0,0|1,0,1]=4 2369 B13R0.2 CCCC(=O)OCNCCSCCO 2230a_100011219999_100000034017 [0,2,0,0,0,0|1,0,1]=4 2370 B13R0.2 CCCC(=O)OCOCCCCCBr 34a_100000746331_100000034017 [0,2,0,0,0,0|0,0,2]=4 2371 B13R0.2 CCCC(=O)OCOCCCCCCl 34a_100000746330_100000034017 [0,2,0,0,0,0|0,0,2]=4 2372 B13R0.2 CCCC(=O)OCOCCCCCI 34a_200012148887_100000034017 [0,2,0,0,0,0|0,0,2]=4 2373 B13R0.2 CCCC(=O)OCOCCCCCN 34a_100000762737_100000034017 [0,2,0,0,0,0|0,0,2]=4 2374 B13R0.2 CCCC(=O)OCOCCCCOC 34a_100000740925_100000034017 [0,2,0,0,0,0|0,0,2]=4 2375 B13R0.2 CCCC(=O)OCOCCCCSC 34a_100011217163_100000034017 [0,2,0,0,0,0|0,0,2]=4 2376 B13R0.2 CCCC(=O)OCOCCCOCC 34a_100000757476_100000034017 [0,2,0,0,0,0|0,0,2]=4 2377 B13R0.2 CCCC(=O)OCOCCCSCC 34a_100011216438_100000034017 [0,2,0,0,0,0|0,0,2]=4 2378 B13R0.2 CCCC(=O)OCOCCOCCBr 34a_100000692535_100000034017 [0,2,0,0,0,0|1,0,1]=4 2379 B13R0.2 CCCC(=O)OCOCCOCCCl 34a_100011215305_100000034017 [0,2,0,0,0,0|1,0,1]=4 2380 B13R0.2 CCCC(=O)OCOCCOCCF 34a_200015357709_100000034017 [0,2,0,0,0,0|1,0,1]=4 2381 B13R0.2 CCCC(=O)OCOCCOCCI 34a_100012149058_100000034017 [0,2,0,0,0,0|1,0,1]=4 2382 B13R0.2 CCCC(=O)OCOCCOCCN 34a_100000211614_100000034017 [0,2,0,0,0,0|1,0,1]=4 2383 B13R0.2 CCCC(=O)OCSCCCCCF 62a_100000729378_100000034017 [0,2,0,0,0,0|0,0,2]=4 2384 B13R0.2 CCCC(=O)OCSCCCCCO 62a_100000746330_100000034017 [0,2,0,0,0,0|0,0,2]=4 2385 B13R0.2 CCCC(=O)OCSCCCCOC 62a_100000730899_100000034017 [0,2,0,0,0,0|0,0,2]=4 2386 B13R0.2 CCCC(=O)OCSCCCOCC 62a_100012232248_100000034017 [0,2,0,0,0,0|0,0,2]=4 2387 B13R0.2 CCCC(=O)OCSCCOCCO 62a_100011215305_100000034017 [0,2,0,0,0,0|1,0,1]=4 2388 B13R0.2 CCCC(=O)OCSCOCCOC 62a_100000231047_100000034017 [0,2,0,0,0,0|1,0,1]=4 2389 B13R0.2 CCCC/C=C/COCC(=O)CCC 7a_200016272032_100000747444 [0,2,0,0,0,0|0,0,2]=4 2390 B13R0.2 CCCC/C=C\CCOC(C)CCC 34a_200016286491_100000766640 [0,2,0,0,0,0|1,0,1]=4 2391 B13R0.2 CCCC/C=C\CCOC(C)CCC 7a_200016286491_100000766640 [0,2,0,0,0,0|1,0,1]=4 2392 B13R0.2 CCCCCCCOCC(=O)CCC 7a_100000210272_100000747444 [0,2,0,0,0,0|0,0,2]=4 2393 B13R0.2 CCCCCCNCOC(=O)CCC 2230a_100000210581_100000034017 [0,2,0,0,0,0|0,0,2]=4 2394 B13R0.2 CCCCCCOCOC(=O)CCC 34a_100000210259_100000034017 [0,2,0,0,0,0|0,0,2]=4 2395 B13R0.2 CCCCCCSCOC(=O)CCC 62a_100000210314_100000034017 [0,2,0,0,0,0|0,0,2]=4 2396 B13R0.2 CCCCOCCOCC(=O)CCC 1458a_100011216887_100000210303 [0,2,0,0,0,0|0,0,2]=4 2397 B13R0.2 CCCCOCCOCC(=O)CCC 7a_100000210238_100000747444 [0,2,0,0,0,0|0,0,2]=4 2398 B13R0.2 CCCCOCSCOC(=O)CCC 62a_100011995733_100000034017 [0,2,0,0,0,0|0,0,2]=4 2399 B13R0.2 CCCCSCCOCC(=O)CCC 7a_200000230436_100000747444 [0,2,0,0,0,0|0,0,2]=4 2400 B13R0.2 CCCOCCNCOC(=O)CCC 2230a_100161115042_100000034017 [0,2,0,0,0,0|0,0,2]=4 2401 B13R0.2 CCCOCCNCOC(=O)CCC 34a_100161115042_100000034017 [0,2,0,0,0,0|0,0,2]=4 2402 B13R0.2 CCCOCCOCOC(=O)CCC 34a_100000752267_100000034017 [0,2,0,0,0,0|0,0,2]=4 2403 B13R0.2 CCCOCCSCOC(=O)CCC 62a_100011215938_100000034017 [0,2,0,0,0,0|0,0,2]=4 2404 B13R0.2 CCCSCCNCOC(=O)CCC 2230a_100020603323_100000034017 [0,2,0,0,0,0|0,0,2]=4 2405 B13R0.2 CCCSCCOCOC(=O)CCC 34a_200000230433_100000034017 [0,2,0,0,0,0|0,0,2]=4 2406 B13R0.66 C#CCCC(=O)CCOC/C=C\CC 34a_100011064465_100103147603 [0,2,0,0,0,0|1,0,1]=4 2407 B13R0.66 C#CCCC(=O)CCOC/C=C\CC 7a_100011064465_100103147603 [0,2,0,0,0,0|1,0,1]=4 2408 B13R0.66 C/C=C/C=C/COCC(=O)NCCC 34a_100016283227_100000183358 [0,2,0,0,0,0|0,0,2]=4 2409 B13R0.66 C/C=C/C=C/COCC(=O)OCCC 34a_100016283227_200011215008 [0,2,0,0,0,0|0,0,2]=4 2410 B13R0.66 C/C=C/CCOCOC(=O)OCCC 34a_100016278192_200000139673 [0,2,0,0,0,0|0,0,2]=4 2411 B13R0.66 C=C(COCC/C=C\CC)OCOC 34a_100016288707_100000042856 [0,2,0,0,0,0|2,0,0]=4 2412 B13R0.66 C=CCNC(=O)COCC/C=C\CC 7a_100016288707_100000183597 [0,2,0,0,0,0|0,0,2]=4 2413 B13R0.66 C=CCOC(=O)COCC/C=C\CC 34a_100016288707_100000033060 [0,2,0,0,0,0|0,0,2]=4 2414 B13R0.66 C=CCOC(=O)COCC/C=C\CC 7a_100016288707_100000033060 [0,2,0,0,0,0|0,0,2]=4 2415 B13R0.66 CC/C=C/CCCOC(C)CCCC 34a_100016287902_200011215066 [0,2,0,0,0,0|1,0,1]=4 2416 B13R0.66 CC/C=C/CCCOC(C)CCCC 7a_100016287902_200011215066 [0,2,0,0,0,0|1,0,1]=4 2417 B13R0.66 CC/C=C\CCNCC(=O)NCCC 2230a_100000174927_100015370543 [0,2,0,0,0,0|1,0,0]=3 2418 B13R0.66 CC/C=C\CCNCC(=O)NCCF 2230a_100000725713_100015370543 [0,2,0,0,0,0|2,0,0]=4 2419 B13R0.66 CC/C=C\CCOCC(=O)NCC#N 7a_100016288707_100000736037 [0,2,0,0,0,0|1,0,1]=4 2420 B13R0.66 CC/C=C\CCOCC(=O)NCCC 34a_100016288707_100000183358 [0,2,0,0,0,0|0,0,0]=2 2421 B13R0.66 CC/C=C\CCOCC(=O)NCCC 7a_100016288707_100000183358 [0,2,0,0,0,0|0,0,0]=2 2422 B13R0.66 CC/C=C\CCOCC(=O)OCCC 34a_100016288707_200011215008 [0,2,0,0,0,0|0,0,0]=2 2423 B13R0.66 CC/C=C\CCOCC(=O)OCCC 7a_100016288707_200011215008 [0,2,0,0,0,0|0,0,0]=2 2424 B13R0.66 CC/C=C\CCOCC(C)CCCC 34a_100011995851_100015370543 [0,2,0,0,0,0|1,0,1]=4 2425 B13R0.66 CC/C=C\CCOCC(C)CCCC 7a_100011995851_100015370543 [0,2,0,0,0,0|1,0,1]=4 2426 B13R0.66 CC/C=C\CCOC[C@@H](N)CCCC 34a_100011934283_100015370543 [0,2,0,0,0,0|1,0,1]=4 2427 B13R0.66 CC/C=C\CCOC[C@@H](N)CCSC 34a_100011827619_100015370543 [0,2,0,0,0,0|1,0,1]=4 2428 B13R0.66 CC/C=C\CCSCC(=O)NCCC 62a_100000183358_100015370543 [0,2,0,0,0,0|0,1,0]=3 2429 B13R0.66 CC/C=C\CCSCC(=O)NCCC 62a_100015370543_100000183358 [0,2,0,0,0,0|0,1,0]=3 2430 B13R0.66 CC/C=C\CCSCC(=O)OCCC 62a_100015370543_200011215008 [0,2,0,0,0,0|0,1,0]=3 2431 B13R0.66 CC/C=C\CCSCC(=O)OCCC 62a_200011215008_100015370543 [0,2,0,0,0,0|0,1,0]=3 2432 B13R0.66 CC/C=C\COCOC(=O)OCCC 34a_100016268518_200000139673 [0,2,0,0,0,0|0,0,0]=2 2433 B13R0.66 CC/C=C\CSCOC(=O)OCCC 62a_100103147603_200000139673 [0,2,0,0,0,0|0,0,0]=2 2434 B13R0.66 CC=C=CCCOCC(=O)NCCC 34a_100011020354_100000183358 [0,2,0,0,0,0|0,0,2]=4 2435 B13R0.66 CC=C=CCCOCC(=O)OCCC 34a_100011020354_200011215008 [0,2,0,0,0,0|0,0,2]=4 2436 B13R0.66 CC=CCCCOCC(=O)NCCC 34a_100020645299_100000183358 [0,2,0,0,0,0|0,0,2]=4 2437 B13R0.66 CC=CCCCOCC(=O)OCCC 34a_100020645299_200011215008 [0,2,0,0,0,0|0,0,2]=4 2438 B13R0.66 CCC#CCCOCC(=O)NCCC 34a_100000036655_100000183358 [0,2,0,0,0,0|0,0,2]=4 2439 B13R0.66 CCC#CCCOCC(=O)NCCC 7a_100000036655_100000183358 [0,2,0,0,0,0|0,0,2]=4 2440 B13R0.66 CCC#CCCOCC(=O)OCCC 34a_100000036655_200011215008 [0,2,0,0,0,0|0,0,2]=4 2441 B13R0.66 CCC#CCCOCC(=O)OCCC 7a_100000036655_200011215008 [0,2,0,0,0,0|0,0,2]=4 2442 B13R0.66 CCC#CCOCOC(=O)OCCC 34a_100000032950_200000139673 [0,2,0,0,0,0|0,0,2]=4 2443 B13R0.66 CCC#CCSCOC(=O)OCCC 62a_100009813939_200000139673 [0,2,0,0,0,0|0,0,2]=4 2444 B13R0.66 CCC/C=C/COCC(=O)NCCC 34a_100016278788_100000183358 [0,2,0,0,0,0|0,0,2]=4 2445 B13R0.66 CCC/C=C/COCC(=O)NCCC 7a_100016278788_100000183358 [0,2,0,0,0,0|0,0,2]=4 2446 B13R0.66 CCC/C=C/COCC(=O)OCCC 34a_100016278788_200011215008 [0,2,0,0,0,0|0,0,2]=4 2447 B13R0.66 CCC/C=C/COCC(=O)OCCC 7a_100016278788_200011215008 [0,2,0,0,0,0|0,0,2]=4 2448 B13R0.66 CCCCCCOCC(=O)NCCC 34a_100000210259_100000183358 [0,2,0,0,0,0|0,0,2]=4 2449 B13R0.66 CCCCCCOCC(=O)NCCC 7a_100000210259_100000183358 [0,2,0,0,0,0|0,0,2]=4 2450 B13R0.66 CCCCCCOCC(=O)OCCC 34a_100000210259_200011215008 [0,2,0,0,0,0|0,0,2]=4 2451 B13R0.66 CCCCCCOCC(=O)OCCC 7a_100000210259_200011215008 [0,2,0,0,0,0|0,0,2]=4 2452 B13R0.66 CCCCCOCOC(=O)OCCC 34a_100000210253_200000139673 [0,2,0,0,0,0|0,0,2]=4 2453 B13R0.66 CCCCCOCOC(=O)OCCC 7a_100000210253_200000139673 [0,2,0,0,0,0|0,0,2]=4 2454 B13R0.66 CCCCCSCOC(=O)OCCC 62a_100000210326_200000139673 [0,2,0,0,0,0|0,0,2]=4 2455 B13R0.66 CCCNC(=O)COCCCOCC 34a_100000757476_100000183358 [0,2,0,0,0,0|1,0,1]=4 2456 B13R0.66 CCCNC(=O)COCCCOCC 7a_100000757476_100000183358 [0,2,0,0,0,0|1,0,1]=4 2457 B13R0.66 CCCNC(=O)COCCCSCC 34a_100011216438_100000183358 [0,2,0,0,0,0|1,0,1]=4 2458 B13R0.66 CCCNC(=O)COCCCSCC 7a_100011216438_100000183358 [0,2,0,0,0,0|1,0,1]=4 2459 B13R0.66 CCCNC(=O)COCCOCCC 34a_100000752267_100000183358 [0,2,0,0,0,0|1,0,1]=4 2460 B13R0.66 CCCNC(=O)COCCOCCC 7a_100000752267_100000183358 [0,2,0,0,0,0|1,0,1]=4 2461 B13R0.66 CCCNC(=O)COCCSCCC 34a_200000230433_100000183358 [0,2,0,0,0,0|1,0,1]=4 2462 B13R0.66 CCCNC(=O)COCCSCCC 7a_200000230433_100000183358 [0,2,0,0,0,0|1,0,1]=4 2463 B13R0.66 CCCOC(=O)COCCCOCC 34a_100000757476_200011215008 [0,2,0,0,0,0|1,0,1]=4 2464 B13R0.66 CCCOC(=O)COCCCOCC 7a_100000757476_200011215008 [0,2,0,0,0,0|1,0,1]=4 2465 B13R0.66 CCCOC(=O)COCCCSCC 34a_100011216438_200011215008 [0,2,0,0,0,0|1,0,1]=4 2466 B13R0.66 CCCOC(=O)COCCCSCC 7a_100011216438_200011215008 [0,2,0,0,0,0|1,0,1]=4 2467 B13R0.66 CCCOC(=O)COCCSCCC 34a_200000230433_200011215008 [0,2,0,0,0,0|1,0,1]=4 2468 B13R0.66 CCCOC(=O)COCCSCCC 7a_200000230433_200011215008 [0,2,0,0,0,0|1,0,1]=4 2469 B13R0.66 CCCOC(=O)OCNCCOCC 34a_102516460346_200000139673 [0,2,0,0,0,0|1,0,1]=4 2470 B13R0.66 CCCOC(=O)OCOCCOCC 34a_100000210136_200000139673 [0,2,0,0,0,0|1,0,1]=4 2471 B13R0.66 CCCOC(=O)OCOCCOCC 7a_100000210136_200000139673 [0,2,0,0,0,0|1,0,1]=4 2472 B13R0.66 CCCOC(=O)OCOCCSCC 34a_100000212035_200000139673 [0,2,0,0,0,0|1,0,1]=4 2473 B13R0.66 CCCOC(=O)OCOCCSCC 7a_100000212035_200000139673 [0,2,0,0,0,0|1,0,1]=4 2474 B13R0.66 CCCOC(=O)OCSCCOCC 62a_100000210147_200000139673 [0,2,0,0,0,0|1,0,1]=4 2475 B13R0.66 CCCOC(=O)OCSCCSCC 62a_100000757381_200000139673 [0,2,0,0,0,0|1,0,1]=4 2476 B13R0.66 CCCOCCOCC(=O)OCCC 34a_100000752267_200011215008 [0,2,0,0,0,0|1,0,1]=4 2477 B13R0.66 CCCOCCOCC(=O)OCCC 7a_100000752267_200011215008 [0,2,0,0,0,0|1,0,1]=4 2478 B13R0.87 C#C/C(=C\COCOC(=O)CCC)/C 34a_100016990848_100000034017 [0,2,0,0,0,0|0,0,2]=4 2479 B13R0.87 CCCC(=O)COCCCC(C)CC 7a_100011216074_100000747444 [0,2,0,0,0,0|0,0,2]=4 2480 B13R0.87 CCCC(=O)COCCNC(=O)CC 7a_200000158885_100000747444 [0,2,0,0,0,0|1,0,0]=3 2481 B13R0.87 CCCC(=O)COCCOC(=O)CC 7a_200000031056_100000747444 [0,2,0,0,0,0|1,0,0]=3 2482 B13R0.87 CCCC(=O)OCNCCC(=O)NC 2230a_100000738227_100000034017 [0,2,0,0,0,0|1,0,1]=4 2483 B13R0.87 CCCC(=O)OCNCCC(=O)NC 34a_100000738227_100000034017 [0,2,0,0,0,0|1,0,1]=4 2484 B13R0.87 CCCC(=O)OCNCCC(C)CC 2230a_100020591266_100000034017 [0,2,0,0,0,0|0,0,2]=4 2485 B13R0.87 CCCC(=O)OCOCCC(=O)NC 34a_100000754576_100000034017 [0,2,0,0,0,0|1,0,1]=4 2486 B13R0.87 CCCC(=O)OCSCCC(=O)NC 62a_100000737683_100000034017 [0,2,0,0,0,0|1,0,1]=4 2487 B13R0.87 CCCC(=O)OCSCCC(=O)OC 62a_100000204255_100000034017 [0,2,0,0,0,0|1,0,1]=4 2488 B13R0.87 CCNC(=O)COCCNC(=O)CC 34a_200000158885_100000183381 [0,2,0,0,0,0|2,0,0]=4 2489 B13R0.87 CCNC(=O)COCCNC(=O)CC 7a_200000158885_100000183381 [0,2,0,0,0,0|2,0,0]=4 2490 B13R0.87 CCNC(=O)COCCOC(=O)CC 7a_200000031056_100000183381 [0,2,0,0,0,0|2,0,0]=4 2491 B13R0.87 CCOC(=O)COCCCC(=O)CC 1458a_100000210414_100009893628 [0,2,0,0,0,0|1,0,1]=4 2492 B13R0.87 CCOC(=O)COCCNC(=O)CC 34a_200000158885_100000188475 [0,2,0,0,0,0|2,0,0]=4 2493 B13R0.87 CCOC(=O)COCCNC(=O)CC 7a_200000158885_100000188475 [0,2,0,0,0,0|2,0,0]=4 2494 B13R0.87 CCOC(=O)COCCOC(=O)CC 7a_200000031056_100000188475 [0,2,0,0,0,0|2,0,0]=4 2495 B13R0.88 CC(C)/C=C/CCCCC(=O)CCF 1458a_200016995844_100011217306 [0,2,0,0,0,0|2,0,0]=4 2496 B13R0.88 CC(C)/C=C/CCCCC(=O)CCO 1458a_200016995844_100000211926 [0,2,0,0,0,0|2,0,0]=4 2497 B13R0.88 CCCC(=O)CCCC/C=C/C(C)C 1458a_200016995844_100000210303 [0,2,0,0,0,0|1,0,0]=3 2498 B13R0.88 CCCC(=O)COCCCCC(C)C 7a_100011214890_100000747444 [0,2,0,0,0,0|0,0,2]=4 2499 B13R0.88 CCCC(=O)COCCOCC(C)C 7a_100000703358_100000747444 [0,2,0,0,0,0|1,0,1]=4 2500 B13R0.88 CCCC(=O)COCCSCC(C)C 7a_200000230437_100000747444 [0,2,0,0,0,0|1,0,1]=4 2501 B13R0.88 CCCC(=O)OCNCCCC(C)C 2230a_200000737386_100000034017 [0,2,0,0,0,0|0,0,2]=4 2502 B13R0.88 CCCC(=O)OCNCCCC(C)C 34a_200000737386_100000034017 [0,2,0,0,0,0|0,0,2]=4 2503 B13R0.88 CCCC(=O)OCNCCOC(C)C 2230a_100000701111_100000034017 [0,2,0,0,0,0|1,0,1]=4 2504 B13R0.88 CCCC(=O)OCNCCOC(C)C 34a_100000701111_100000034017 [0,2,0,0,0,0|1,0,1]=4 2505 B13R0.88 CCCC(=O)OCNCCSC(C)C 2230a_100000731138_100000034017 [0,2,0,0,0,0|1,0,1]=4 2506 B13R0.88 CCCC(=O)OCNCCSC(C)C 34a_100000731138_100000034017 [0,2,0,0,0,0|1,0,1]=4 2507 B13R0.88 CCCC(=O)OCOCCCC(C)C 34a_100000210774_100000034017 [0,2,0,0,0,0|0,0,2]=4 2508 B13R0.88 CCCC(=O)OCOCCNC(C)C 34a_100000224655_100000034017 [0,2,0,0,0,0|1,0,1]=4 2509 B13R0.88 CCCC(=O)OCOCCOC(C)C 34a_100000211219_100000034017 [0,2,0,0,0,0|1,0,1]=4 2510 B13R0.88 CCCC(=O)OCOCCSC(C)C 34a_200011212901_100000034017 [0,2,0,0,0,0|1,0,1]=4 2511 B13R0.88 CCCC(=O)OCSC/C=C/B(O)O 62a_100016262062_100000034017 [0,2,0,0,0,0|2,0,0]=4 2512 B13R0.88 CCCC(=O)OCSCCC=C(C)C 62a_100011217483_100000034017 [0,2,0,0,0,0|0,0,2]=4 2513 B13R0.88 CCCC(=O)OCSCCCC(C)C 62a_100011214892_100000034017 [0,2,0,0,0,0|0,0,2]=4 2514 B13R0.88 CCCC(=O)OCSCCCC(C)O 62a_200000718107_100000034017 [0,2,0,0,0,0|0,0,2]=4 2515 B13R0.88 CCCC(=O)OCSCCOC(C)C 62a_100000211751_100000034017 [0,2,0,0,0,0|1,0,1]=4 2516 B13R0.88 CCCC(=O)OCSCCSC(C)C 62a_100000730970_100000034017 [0,2,0,0,0,0|1,0,1]=4 2517 B13R0.88 CCNC(=O)CCCC/C=C/C(C)C 11a_100015525214_200016995844 [0,2,0,0,0,0|2,0,0]=4 2518 B13R0.88 CCNC(=O)CCCC/C=C/C(C)C 240690a_100015525214_200016995844 [0,2,0,0,0,0|2,0,0]=4 2519 B13R0.88 CCNC(=O)CCCC/C=C/C(C)C 527a_100015525214_200016995844 [0,2,0,0,0,0|2,0,0]=4 2520 B13R0.175 CC=CC(=O)CCCC(=O)NCCC 1458a_100000210699_100011194427 [0,2,0,0,0,0|1,0,1]=4 2521 B13R0.175 CCC#CC(C)OCOC(=O)CCC 34a_100000033903_100000034017 [0,2,0,0,0,0|0,0,2]=4 2522 B13R0.175 CCC=CC(=O)CCCC(=O)OCC 1458a_100000212282_100011215271 [0,2,0,0,0,0|2,0,0]=4 2523 B13R0.175 CCC=CC(=O)CCNC(=O)OCC 1458a_100000212282_200011445536 [0,2,0,0,0,0|2,0,0]=4 2524 B13R0.175 CCCC(=O)OCOC(C)COCC 34a_100000718985_100000034017 [0,2,0,0,0,0|1,0,1]=4 2525 B13R0.175 CCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210211 [0,2,0,0,0,0|2,0,0]=4 2526 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210183_100011215271 [0,2,0,0,0,0|2,0,0]=4 2527 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210211 [0,2,0,0,0,0|2,0,0]=4 2528 B13R0.175 CCCCC(=O)NCCC(=O)NCC 11a_100025743525_100000210183 [0,2,0,0,0,0|2,0,0]=4 2529 B13R0.175 CCCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000210183 [0,2,0,0,0,0|2,0,0]=4 2530 B13R0.175 CCCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000210183 [0,2,0,0,0,0|2,0,0]=4 2531 B13R0.175 CCCCC(=O)NCCC(=O)NCC 527a_100025743525_100000210183 [0,2,0,0,0,0|2,0,0]=4 2532 B13R0.175 CCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000210183 [0,2,0,0,0,0|2,0,0]=4 2533 B13R0.175 CCCCC(C)COCC(=O)CCC 7a_100011995851_100000747444 [0,2,0,0,0,0|0,0,2]=4 2534 B13R0.175 CCCCC(C)NCOC(=O)CCC 2230a_100000126638_100000034017 [0,2,0,0,0,0|0,0,2]=4 2535 B13R0.175 CCCCC(C)OCOC(=O)CCC 34a_100000687866_100000034017 [0,2,0,0,0,0|0,0,2]=4 2536 B13R0.175 CCCCC(C)SCOC(=O)CCC 62a_200011215066_100000034017 [0,2,0,0,0,0|0,0,2]=4 2537 B13R0.175 CCCNC(=O)CCCC(=O)CCC 1458a_100000199544_100000210303 [0,2,0,0,0,0|1,0,1]=4 2538 B13R0.175 CCCNC(=O)CCCC(=O)CCC 1458a_100000211992_100011194427 [0,2,0,0,0,0|1,0,1]=4 2539 B13R0.175 CCCNC(=O)CCCC(=O)NCC 11a_100015525214_100000199544 [0,2,0,0,0,0|2,0,0]=4 2540 B13R0.175 CCCNC(=O)CCCC(=O)NCC 11a_100020643023_100000199580 [0,2,0,0,0,0|2,0,0]=4 2541 B13R0.175 CCCNC(=O)CCCC(=O)NCC 1626a_100020643023_100000199580 [0,2,0,0,0,0|2,0,0]=4 2542 B13R0.175 CCCNC(=O)CCCC(=O)NCC 240690a_100015525214_100000199544 [0,2,0,0,0,0|2,0,0]=4 2543 B13R0.175 CCCNC(=O)CCCC(=O)NCC 240690a_100020643023_100000199580 [0,2,0,0,0,0|2,0,0]=4 2544 B13R0.175 CCCNC(=O)CCCC(=O)NCC 527a_100015525214_100000199544 [0,2,0,0,0,0|2,0,0]=4 2545 B13R0.175 CCCNC(=O)CCCC(=O)NCC 527a_100020643023_100000199580 [0,2,0,0,0,0|2,0,0]=4 2546 B13R0.175 CCCNC(=O)CCCC(=O)OCC 11a_100020643023_100000210991 [0,2,0,0,0,0|2,0,0]=4 2547 B13R0.175 CCCNC(=O)CCCC(=O)OCC 1626a_100020643023_100000210991 [0,2,0,0,0,0|2,0,0]=4 2548 B13R0.175 CCCNC(=O)CCCC(=O)OCC 240690a_100020643023_100000210991 [0,2,0,0,0,0|2,0,0]=4 2549 B13R0.175 CCCNC(=O)CCCC(=O)OCC 527a_100020643023_100000210991 [0,2,0,0,0,0|2,0,0]=4 2550 B13R0.175 CCCNC(=O)NCCC(=O)NCC 2708a_100020643023_100025743525 [0,2,0,0,0,0|2,0,0]=4 2551 B13R0.175 CCCNC(=O)NCCC(=O)NCC 273464a_100020643023_100025743525 [0,2,0,0,0,0|2,0,0]=4 2552 B13R0.175 CCCNC(=O)NCCC(=O)NCC 273464a_100025743525_100020643023 [0,2,0,0,0,0|2,0,0]=4 2553 B13R0.175 CCCNC(=O)NCCC(=O)NCC 512a_100020643023_100025743525 [0,2,0,0,0,0|2,0,0]=4 2554 B13R0.175 CCCNC(=O)NCCC(=O)NCC 512a_100025743525_100020643023 [0,2,0,0,0,0|2,0,0]=4 2555 B13R0.175 CCNC(=O)CCCC(=O)CCCF 1458a_100000199580_100011934791 [0,2,0,0,0,0|2,0,0]=4 2556 B13R0.175 CCNC(=O)CCCC(=O)CCCO 1458a_100000199580_100011215043 [0,2,0,0,0,0|2,0,0]=4 2557 B13R0.175 CCNC(=O)CCCC(=O)CCOC 1458a_100000199580_100000233755 [0,2,0,0,0,0|2,0,0]=4 2558 B13R0.175 CCNC(=O)CCCC(=O)CCSC 1458a_100000199580_100000751147 [0,2,0,0,0,0|2,0,0]=4 2559 B13R0.175 CCNC(=O)CCNC(=O)CCOC 11a_100025743525_100000749529 [0,2,0,0,0,0|2,0,0]=4 2560 B13R0.175 CCNC(=O)CCNC(=O)CCOC 1626a_100025743525_100000749529 [0,2,0,0,0,0|2,0,0]=4 2561 B13R0.175 CCNC(=O)CCNC(=O)CCOC 240690a_100025743525_100000749529 [0,2,0,0,0,0|2,0,0]=4 2562 B13R0.175 CCNC(=O)CCNC(=O)CCOC 527a_100025743525_100000749529 [0,2,0,0,0,0|2,0,0]=4 2563 B13R0.175 CCNC(=O)CCNC(=O)CCSC 11a_100025743525_100000174002 [0,2,0,0,0,0|2,0,0]=4 2564 B13R0.175 CCNC(=O)CCNC(=O)CCSC 1626a_100025743525_100000174002 [0,2,0,0,0,0|2,0,0]=4 2565 B13R0.175 CCNC(=O)CCNC(=O)CCSC 240690a_100025743525_100000174002 [0,2,0,0,0,0|2,0,0]=4 2566 B13R0.175 CCNC(=O)CCNC(=O)CCSC 527a_100025743525_100000174002 [0,2,0,0,0,0|2,0,0]=4 2567 B13R0.175 CCNC(=O)CCNC(=O)COCC 11a_100025743525_100000211967 [0,2,0,0,0,0|2,0,0]=4 2568 B13R0.175 CCNC(=O)CCNC(=O)COCC 1626a_100025743525_100000211967 [0,2,0,0,0,0|2,0,0]=4 2569 B13R0.175 CCNC(=O)CCNC(=O)COCC 240690a_100025743525_100000211967 [0,2,0,0,0,0|2,0,0]=4 2570 B13R0.175 CCNC(=O)CCNC(=O)COCC 527a_100025743525_100000211967 [0,2,0,0,0,0|2,0,0]=4 2571 B13R0.175 CCNC(=O)CCNC(=O)CSCC 11a_100025743525_100000230394 [0,2,0,0,0,0|2,0,0]=4 2572 B13R0.175 CCNC(=O)CCNC(=O)CSCC 1626a_100025743525_100000230394 [0,2,0,0,0,0|2,0,0]=4 2573 B13R0.175 CCNC(=O)CCNC(=O)CSCC 240690a_100025743525_100000230394 [0,2,0,0,0,0|2,0,0]=4 2574 B13R0.175 CCNC(=O)CCNC(=O)CSCC 527a_100025743525_100000230394 [0,2,0,0,0,0|2,0,0]=4 2575 B13R0.175 CCOC(=O)CCCC(=O)CCCF 1458a_100000210991_100011934791 [0,2,0,0,0,0|2,0,0]=4 2576 B13R0.175 CCOC(=O)CCCC(=O)CCCO 1458a_100000210991_100011215043 [0,2,0,0,0,0|2,0,0]=4 2577 B13R0.175 CCOC(=O)CCCC(=O)CCOC 1458a_100000210991_100000233755 [0,2,0,0,0,0|2,0,0]=4 2578 B13R0.175 CCOC(=O)CCCC(=O)CCOC 1458a_100000749529_100011215271 [0,2,0,0,0,0|2,0,0]=4 2579 B13R0.175 CCOC(=O)CCCC(=O)CCSC 1458a_100000174002_100011215271 [0,2,0,0,0,0|2,0,0]=4 2580 B13R0.175 CCOC(=O)CCCC(=O)CCSC 1458a_100000210991_100000751147 [0,2,0,0,0,0|2,0,0]=4 2581 B13R0.175 CCOC(=O)CCCC(=O)CSCC 1458a_100000230394_100011215271 [0,2,0,0,0,0|2,0,0]=4 2582 B13R0.175 CCOC(=O)CCNC(=O)CCOC 188690a_100000746078_100000749529 [0,2,0,0,0,0|2,0,0]=4 2583 B13R0.175 CCOC(=O)CCNC(=O)CCSC 188690a_100000746078_100000174002 [0,2,0,0,0,0|2,0,0]=4 2584 B13R0.175 CCOC(=O)CCNC(=O)CSCC 188690a_100000746078_100000230394 [0,2,0,0,0,0|2,0,0]=4 2585 B13R0.175 CCOCC(=O)CCCC(=O)OCC 1458a_100000211967_100011215271 [0,2,0,0,0,0|2,0,0]=4 2586 B13R0.175 CCOCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211967 [0,2,0,0,0,0|2,0,0]=4 2587 B13R0.193 C/C=C/C=CC(=O)COC(=O)CCC 1458a_100000185730_100000034017 [0,2,0,0,0,0|0,0,2]=4 2588 B13R0.193 CC/C=C/CC(=O)COC(=O)CCC 1458a_100016274230_100000034017 [0,2,0,0,0,0|0,0,0]=2 2589 B13R0.193 CC/C=C/CC(=O)NNC(=O)CCC 22a_100000189770_100016274230 [0,2,0,0,0,0|1,0,1]=4 2590 B13R0.193 CC/C=C\CC(=O)CCC(=O)NCC 1458a_100000199579_100103147603 [0,2,0,0,0,0|2,0,0]=4 2591 B13R0.193 CC/C=C\CC(=O)CCC(=O)OCC 1458a_100000183558_100103147603 [0,2,0,0,0,0|2,0,0]=4 2592 B13R0.193 CC/C=C\CC(=O)CNC(=O)OCC 1458a_100000190774_100103147603 [0,2,0,0,0,0|2,0,0]=4 2593 B13R0.193 CC/C=C\CN(C)CCC(=O)OCC 2230a_100000745921_100103147603 [0,2,0,0,0,0|2,0,0]=4 2594 B13R0.193 CC/C=C\CN(C)CCC(=O)OCC 269982a_100000745921_100103147603 [0,2,0,0,0,0|2,0,0]=4 2595 B13R0.193 CCC#CCC(C)OCC(=O)CCC 7a_200000035118_100000747444 [0,2,0,0,0,0|0,0,2]=4 2596 B13R0.193 CCCC(=O)OCC(=O)C=CCOC 1458a_100016285016_100000034017 [0,2,0,0,0,0|0,0,1]=3 2597 B13R0.193 CCCC(=O)OCC(=O)C=COCC 1458a_100016266692_100000034017 [0,2,0,0,0,0|0,0,1]=3 2598 B13R0.193 CCCC(=O)OCC(=O)CCOCC 1458a_100000749530_100000034017 [0,2,0,0,0,0|1,0,1]=4 2599 B13R0.193 CCCC(=O)OCC(=O)CCSCC 1458a_100000230768_100000034017 [0,2,0,0,0,0|1,0,1]=4 2600 B13R0.193 CCCC=CC(=O)COC(=O)CCC 1458a_100000212230_100000034017 [0,2,0,0,0,0|0,0,1]=3 2601 B13R0.193 CCCCCC(=O)COC(=O)CCC 1458a_100000212188_100000034017 [0,2,0,0,0,0|0,0,2]=4 2602 B13R0.193 CCCCCC(C)OCC(=O)CCC 7a_100011215632_100000747444 [0,2,0,0,0,0|0,0,2]=4 2603 B13R0.193 CCCCCN(C)COC(=O)CCC 2230a_100000223495_100000034017 [0,2,0,0,0,0|0,0,2]=4 2604 B13R0.193 CCCCCN(C)COC(=O)CCC 269982a_100000223495_100000034017 [0,2,0,0,0,0|0,0,2]=4 2605 B13R0.193 CCCOCC(=O)COC(=O)CCC 1458a_100000745993_100000034017 [0,2,0,0,0,0|1,0,1]=4 2606 B13R0.193 CCCSCC(=O)COC(=O)CCC 1458a_100000217233_100000034017 [0,2,0,0,0,0|1,0,1]=4 2607 B13R0.275 C=C(COC/C=C\CC)C(=O)OCC 34a_100016268518_100000755967 [0,2,0,0,0,0|2,0,0]=4 2608 B13R0.275 C=C(CSC/C=C\CC)C(=O)OCC 62a_100000755967_100103147603 [0,2,0,0,0,0|2,0,0]=4 2609 B13R0.275 C=C(CSC/C=C\CC)C(=O)OCC 62a_100103147603_100000755967 [0,2,0,0,0,0|2,0,0]=4 2610 B13R0.275 CC/C=C\CCNC(C)C(=O)NCC 2230a_100000736553_100015370543 [0,2,0,0,0,0|2,0,0]=4 2611 B13R0.275 CC/C=C\CCNC(C)C(=O)NCC 34a_100000736553_100015370543 [0,2,0,0,0,0|2,0,0]=4 2612 B13R0.275 CC/C=C\CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100015370543 [0,2,0,0,0,0|2,0,0]=4 2613 B13R0.275 CC/C=C\CCOC(=O)C(C)OCC 34a_200020655201_100000210202 [0,2,0,0,0,0|0,0,0]=2 2614 B13R0.275 CC/C=C\CCOC(=O)C(C)OCC 7a_200020655201_100000210202 [0,2,0,0,0,0|0,0,0]=2 2615 B13R0.275 CC/C=C\CCOC(=O)C(C)OCF 34a_200020655201_100015361967 [0,2,0,0,0,0|1,0,0]=3 2616 B13R0.275 CC/C=C\CCOC(=O)C(C)OCF 7a_200020655201_100015361967 [0,2,0,0,0,0|1,0,0]=3 2617 B13R0.275 CC/C=C\CCOC(C)C(=O)NCC 34a_100016288707_100000230173 [0,2,0,0,0,0|1,0,0]=3 2618 B13R0.275 CC/C=C\CCOC(C)C(=O)NCC 7a_100016288707_100000230173 [0,2,0,0,0,0|1,0,0]=3 2619 B13R0.275 CC/C=C\CCOC(C)C(=O)OCC 34a_100016288707_100011216346 [0,2,0,0,0,0|1,0,0]=3 2620 B13R0.275 CC/C=C\CCOC(C)C(=O)OCC 7a_100016288707_100011216346 [0,2,0,0,0,0|1,0,0]=3 2621 B13R0.275 CC/C=C\CCOC(C)C(C)CCC 34a_100000708338_100015370543 [0,2,0,0,0,0|1,0,1]=4 2622 B13R0.275 CC/C=C\CCOC(C)C(C)CCC 7a_100000708338_100015370543 [0,2,0,0,0,0|1,0,1]=4 2623 B13R0.275 CC/C=C\CCOC(F)C(=O)OCC 34a_100016288707_100000760018 [0,2,0,0,0,0|1,0,0]=3 2624 B13R0.275 CC/C=C\CCOC(F)C(=O)OCC 7a_100016288707_100000040065 [0,2,0,0,0,0|1,0,0]=3 2625 B13R0.275 CC/C=C\CCO[C@@H](C)C(=O)OCC 7a_100000751109_100015370543 [0,2,0,0,0,0|1,0,0]=3 2626 B13R0.275 CC/C=C\CCSC(C)C(=O)NCC 62a_100000230173_100015370543 [0,2,0,0,0,0|1,1,0]=4 2627 B13R0.275 CC/C=C\CCSC(C)C(=O)NCC 62a_100015370543_100000230173 [0,2,0,0,0,0|1,1,0]=4 2628 B13R0.275 CC/C=C\CCSC(C)C(=O)OCC 62a_100011216346_100015370543 [0,2,0,0,0,0|1,1,0]=4 2629 B13R0.275 CC/C=C\CCSC(C)C(=O)OCC 62a_100015370543_100011216346 [0,2,0,0,0,0|1,1,0]=4 2630 B13R0.275 CC/C=C\CCSC(F)C(=O)OCC 62a_100000760018_100015370543 [0,2,0,0,0,0|1,1,0]=4 2631 B13R0.275 CC/C=C\CCSC(F)C(=O)OCC 62a_100015370543_100000760018 [0,2,0,0,0,0|1,1,0]=4 2632 B13R0.275 CC/C=C\CSCC(=O)C(=O)OCC 62a_100000211299_100103147603 [0,2,0,0,0,0|2,0,0]=4 2633 B13R0.275 CC/C=C\CSCC(=O)C(=O)OCC 62a_100103147603_100000211299 [0,2,0,0,0,0|2,0,0]=4 2634 B13R0.282 CC/C=C/CCCOC(CC)CCC 7a_100016287902_100011219200 [0,2,0,0,0,0|1,0,1]=4 2635 B13R0.330 C=C(CCC)CC(=O)CC/C=C\CC 1458a_100000138376_100015370543 [0,2,0,0,0,0|2,0,0]=4 2636 B13R0.330 CC/C=C\CCC(=O)C=C(C)CCC 1458a_100020676950_100015370543 [0,2,0,0,0,0|2,0,0]=4 2637 B13R0.330 CC/C=C\CCC(=O)CC(=O)OCC 1458a_100000243816_100015370543 [0,2,0,0,0,0|2,0,0]=4 2638 B13R0.330 CC/C=C\CCC(=O)CS(=O)CCC 1458a_100011387404_100015370543 [0,2,0,0,0,0|2,0,0]=4 2639 B13R0.330 CC/C=C\CCN(C)CC(=O)NCC 2230a_100000741943_100015370543 [0,2,0,0,0,0|2,0,0]=4 2640 B13R0.330 CC/C=C\CCN(C)CC(=O)NCC 269982a_100000741943_100015370543 [0,2,0,0,0,0|2,0,0]=4 2641 B13R0.330 CC/C=C\CCN(C)CC(=O)OCC 2230a_100000220588_100015370543 [0,2,0,0,0,0|2,0,0]=4 2642 B13R0.330 CC/C=C\CO[C@H](C)CC(=O)OCC 7a_100009816390_100103147603 [0,2,0,0,0,0|2,0,0]=4 2643 B13R0.330 CC/C=C\CSC(C)CC(=O)OCC 62a_100009817359_100103147603 [0,2,0,0,0,0|2,0,0]=4 2644 B13R0.330 CC/C=C\CSC(C)CC(=O)OCC 62a_100103147603_100009817359 [0,2,0,0,0,0|2,0,0]=4 2645 B13R0.330 CC/C=C\CSC(C)OC(=O)OCC 62a_100000036008_100103147603 [0,2,0,0,0,0|1,0,0]=3 2646 B13R0.330 CC/C=C\CSC(C)OC(=O)OCC 62a_100103147603_100000036008 [0,2,0,0,0,0|1,0,0]=3 2647 B13R0.330 CCC/C=C/CC(=O)CC(=O)CCC 1458a_200016266809_100000747444 [0,2,0,0,0,0|1,0,1]=4 2648 B13R0.335 CC/C=C/CCCOC(C)CC(C)C 34a_100016287902_100000731052 [0,2,0,0,0,0|1,0,1]=4 2649 B13R0.335 CC/C=C/CCCOC(C)CC(C)C 7a_100016287902_100000731052 [0,2,0,0,0,0|1,0,1]=4 2650 B13R0.335 CC/C=C\CCNCC(=O)NC(C)C 2230a_100000168517_100015370543 [0,2,0,0,0,0|2,0,0]=4 2651 B13R0.335 CC/C=C\CCOCC(=O)NC(=O)C 7a_100016288707_100000183797 [0,2,0,0,0,0|1,0,1]=4 2652 B13R0.335 CC/C=C\CCOCC(=O)NC(C)C 34a_100016288707_100000183996 [0,2,0,0,0,0|1,0,0]=3 2653 B13R0.335 CC/C=C\CCOCC(=O)NC(C)C 7a_100016288707_100000183996 [0,2,0,0,0,0|1,0,0]=3 2654 B13R0.335 CC/C=C\CCOCC(=O)OC(C)C 34a_100016288707_100011215430 [0,2,0,0,0,0|1,0,0]=3 2655 B13R0.335 CC/C=C\CCOCC(=O)OC(C)C 7a_100016288707_100011215430 [0,2,0,0,0,0|1,0,0]=3 2656 B13R0.335 CC/C=C\CCOC[C@@H](N)CC(C)C 34a_100011830311_100015370543 [0,2,0,0,0,0|1,0,1]=4 2657 B13R0.335 CC/C=C\CCSCC(=O)NC(C)C 62a_100000183996_100015370543 [0,2,0,0,0,0|1,1,0]=4 2658 B13R0.335 CC/C=C\CCSCC(=O)NC(C)C 62a_100015370543_100000183996 [0,2,0,0,0,0|1,1,0]=4 2659 B13R0.335 CC/C=C\CCSCC(=O)OC(C)C 62a_100011215430_100015370543 [0,2,0,0,0,0|1,1,0]=4 2660 B13R0.335 CC/C=C\CCSCC(=O)OC(C)C 62a_100015370543_100011215430 [0,2,0,0,0,0|1,1,0]=4 2661 B13R0.335 CC/C=C\CSCCC(=O)NC(C)C 62a_100000737564_100103147603 [0,2,0,0,0,0|2,0,0]=4 2662 B13R0.335 CC/C=C\CSCCC(=O)NC(C)C 62a_100103147603_100000737564 [0,2,0,0,0,0|2,0,0]=4 2663 B13R0.335 CC/C=C\CSCCC(=O)OC(C)C 62a_100000760027_100103147603 [0,2,0,0,0,0|2,0,0]=4 2664 B13R0.335 CC/C=C\CSCCC(=O)OC(C)C 62a_100103147603_100000760027 [0,2,0,0,0,0|2,0,0]=4 2665 B13R0.335 CC/C=C\CSCOC(=O)OC(C)C 62a_100000003507_100103147603 [0,2,0,0,0,0|1,0,0]=3 2666 B13R0.335 CC/C=C\CSCOC(=O)OC(C)C 62a_100103147603_100000003507 [0,2,0,0,0,0|1,0,0]=3 2667 B13R0.340 CC/C=C\CCOCC(=O)C(=O)OC 34a_100016288707_100011610305 [0,2,0,0,0,0|1,0,1]=4 2668 B13R0.340 CC/C=C\CCOCC(=O)N(C)CC 34a_100016288707_100000738999 [0,2,0,0,0,0|1,0,0]=3 2669 B13R0.340 CC/C=C\CCOCC(=O)N(C)CC 7a_100016288707_100000738999 [0,2,0,0,0,0|1,0,0]=3 2670 B13R0.340 CC/C=C\CCOCC(=O)N(C)OC 7a_100016288707_100000764215 [0,2,0,0,0,0|2,0,0]=4 2671 B13R0.340 CC/C=C\CCSCC(=O)N(C)CC 62a_100000738999_100015370543 [0,2,0,0,0,0|1,1,0]=4 2672 B13R0.340 CC/C=C\CCSCC(=O)N(C)CC 62a_100015370543_100000738999 [0,2,0,0,0,0|1,1,0]=4 2673 B13R0.367 CC=CC(=O)CCOCC(=O)OCC 1458a_100000210699_100000088970 [0,2,0,0,0,0|1,0,1]=4 2674 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100000211992_100000750268 [0,2,0,0,0,0|1,0,1]=4 2675 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210303 [0,2,0,0,0,0|1,0,1]=4 2676 B13R0.367 CCCC(=O)CCOCC(=O)OCC 1458a_100000211992_100000088970 [0,2,0,0,0,0|1,0,1]=4 2677 B13R0.367 CCCC(=O)COCCC(C)CCC 7a_100011217855_100000747444 [0,2,0,0,0,0|0,0,2]=4 2678 B13R0.367 CCCC(=O)CSCCC(=O)NCC 62a_100000737597_100000747444 [0,2,0,0,0,0|1,1,0]=4 2679 B13R0.367 CCCC(=O)CSCCC(=O)NCC 62a_100000747444_100000737597 [0,2,0,0,0,0|1,1,0]=4 2680 B13R0.367 CCCC(=O)CSCCC(=O)OCC 62a_100000747444_100000765890 [0,2,0,0,0,0|1,1,0]=4 2681 B13R0.367 CCCC(=O)CSCCC(=O)OCC 62a_100000765890_100000747444 [0,2,0,0,0,0|1,1,0]=4 2682 B13R0.367 CCCC(=O)CSCOC(=O)CCC 62a_100000747444_100000034017 [0,2,0,0,0,0|0,0,1]=3 2683 B13R0.367 CCCC(=O)CSCOC(=O)OCC 62a_100000747444_100000075025 [0,2,0,0,0,0|1,0,1]=4 2684 B13R0.367 CCCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000211992 [0,2,0,0,0,0|1,0,1]=4 2685 B13R0.367 CCCC(=O)OCNCC(=O)NCC 2230a_100016988866_100000034017 [0,2,0,0,0,0|1,0,0]=3 2686 B13R0.367 CCCC(=O)OCOCC(C)CCC 34a_100000688023_100000034017 [0,2,0,0,0,0|0,0,2]=4 2687 B13R0.367 CCCC(=O)OCOC[C@@H](N)CCC 34a_100000732646_100000034017 [0,2,0,0,0,0|0,0,2]=4 2688 B13R0.367 CCCC(=O)OCSCC(=O)NCC 62a_100000183381_100000034017 [0,2,0,0,0,0|1,0,0]=3 2689 B13R0.367 CCCC(=O)OCSCC(=O)NCO 62a_100000185155_100000034017 [0,2,0,0,0,0|2,0,0]=4 2690 B13R0.367 CCCC(=O)OCSCC(=O)OCC 62a_100000188475_100000034017 [0,2,0,0,0,0|1,0,0]=3 2691 B13R0.367 CCCC(=O)OCSCC(C)CCC 62a_100011216630_100000034017 [0,2,0,0,0,0|0,0,2]=4 2692 B13R0.367 CCNC(=O)CSCOC(=O)OCC 62a_100000183381_100000075025 [0,2,0,0,0,0|2,0,0]=4 2693 B13R0.367 CCOC(=O)CSCOC(=O)OCC 62a_100000188475_100000075025 [0,2,0,0,0,0|2,0,0]=4 2694 B13R0.1338 CC/C=C\CCOCC(C)(C)CCC 7a_100011995695_100015370543 [0,2,0,0,0,0|1,0,1]=4 2695 B13R0.62 C#CC(CC(C)C)OCC/C=C\CC 34a_100011215986_100015370543 [0,2,0,0,0,0|1,0,1]=4 2696 B13R0.62 C#CC(CC(C)C)OCC/C=C\CC 7a_100011215986_100015370543 [0,2,0,0,0,0|1,0,1]=4 2697 B13R0.62 C=CC(CC(C)C)OCC/C=C\CC 34a_100012186643_100015370543 [0,2,0,0,0,0|1,0,1]=4 2698 B13R0.62 C=CC(CC(C)C)OCC/C=C\CC 7a_100012186643_100015370543 [0,2,0,0,0,0|1,0,1]=4 2699 B13R0.62 CC/C=C\CCOC(C#N)CC(C)C 34a_200011294978_100015370543 [0,2,0,0,0,0|1,0,1]=4 2700 B13R0.62 CC/C=C\CCOC(C#N)CC(C)C 7a_200011294978_100015370543 [0,2,0,0,0,0|1,0,1]=4 2701 B13R0.115 CCC=CC(=O)COC(=O)OC(C)C 1458a_100000212282_100000003507 [0,2,0,0,0,0|1,0,1]=4 2702 B13R0.198 CCC(=O)NCCNC(=O)CC(C)C 11a_100132302217_100000210554 [0,2,0,0,0,0|2,0,0]=4 2703 B13R0.198 CCC(=O)NCCNC(=O)CC(C)C 1626a_100132302217_100000210554 [0,2,0,0,0,0|2,0,0]=4 2704 B13R0.198 CCC(=O)NCCNC(=O)CC(C)C 240690a_100132302217_100000210554 [0,2,0,0,0,0|2,0,0]=4 2705 B13R0.198 CCC(=O)NCCNC(=O)CC(C)C 527a_100132302217_100000210554 [0,2,0,0,0,0|2,0,0]=4 2706 B13R0.198 CCC(=O)NCCNC(=O)C[C@@H](C)O 240690a_100132302217_100011933948 [0,2,0,0,0,0|2,0,0]=4 2707 B13R0.274 CC/C=C\COCC(=O)NC(C)CC 34a_100016268518_100000182745 [0,2,0,0,0,0|2,0,0]=4 2708 B13R0.274 CC/C=C\CSCC(=O)NC(C)CC 62a_100000182745_100103147603 [0,2,0,0,0,0|2,0,0]=4 2709 B13R0.274 CC/C=C\CSCC(=O)NC(C)CC 62a_100103147603_100000182745 [0,2,0,0,0,0|2,0,0]=4 2710 B13R0.286 CC/C=C\CCOC(C)CC(C)(C)C 7a_200011218616_100015370543 [0,2,0,0,0,0|1,0,1]=4 2711 B13R0.332 CC=CC(=O)CCOC(=O)CC(=O)C 1458a_100000210699_100000102702 [0,2,0,0,0,0|0,0,2]=4 2712 B13R0.332 CCCC(=O)CCOC(=O)CC(=O)C 1458a_100000211992_100000102702 [0,2,0,0,0,0|0,0,2]=4 2713 B13R0.332 CCNC(=O)CCCC(=O)CC(C)C 1458a_100000199580_100000210624 [0,2,0,0,0,0|2,0,0]=4 2714 B13R0.332 CCNC(=O)CCCC(=O)CC(C)O 1458a_100000199580_100011218427 [0,2,0,0,0,0|2,0,0]=4 2715 B13R0.332 CCNC(=O)CCNC(=O)CC(C)C 11a_100025743525_100000210554 [0,2,0,0,0,0|2,0,0]=4 2716 B13R0.332 CCNC(=O)CCNC(=O)CC(C)C 1626a_100025743525_100000210554 [0,2,0,0,0,0|2,0,0]=4 2717 B13R0.332 CCNC(=O)CCNC(=O)CC(C)C 240690a_100025743525_100000210554 [0,2,0,0,0,0|2,0,0]=4 2718 B13R0.332 CCNC(=O)CCNC(=O)CC(C)C 527a_100025743525_100000210554 [0,2,0,0,0,0|2,0,0]=4 2719 B13R0.332 CCNC(=O)CCNC(=O)C[C@@H](C)O 240690a_100025743525_100011933948 [0,2,0,0,0,0|2,0,0]=4 2720 B13R0.332 CCOC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100011215271 [0,2,0,0,0,0|2,0,0]=4 2721 B13R0.332 CCOC(=O)CCCC(=O)CC(C)C 1458a_100000210991_100000210624 [0,2,0,0,0,0|2,0,0]=4 2722 B13R0.332 CCOC(=O)CCCC(=O)CC(C)O 1458a_100000210991_100011218427 [0,2,0,0,0,0|2,0,0]=4 2723 B13R0.332 CCOC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215271 [0,2,0,0,0,0|2,0,0]=4 2724 B13R0.332 CCOC(=O)CCNC(=O)CC(C)C 188690a_100000746078_100000210554 [0,2,0,0,0,0|2,0,0]=4 2725 B13R0.332 CCOC(=O)CCNC(=O)C[C@@H](C)O 188690a_100000746078_100011933948 [0,2,0,0,0,0|2,0,0]=4 2726 B13R0.438 CC/C=C\CCC(=O)C(=O)NC(C)C 1458a_100011220036_100015370543 [0,2,0,0,0,0|2,0,0]=4 2727 B13R0.250 CCC(=O)NCCNC(=O)C(C)CC 11a_100132302217_100011192722 [0,2,0,0,0,0|2,0,0]=4 2728 B13R0.250 CCC(=O)NCCNC(=O)C(C)CC 1626a_100132302217_100011192722 [0,2,0,0,0,0|2,0,0]=4 2729 B13R0.250 CCC(=O)NCCNC(=O)C(C)CC 240690a_100132302217_100011192722 [0,2,0,0,0,0|2,0,0]=4 2730 B13R0.250 CCC(=O)NCCNC(=O)C(C)CC 527a_100132302217_100011192722 [0,2,0,0,0,0|2,0,0]=4 2731 B13R0.250 CCC(=O)NCCNC(=O)C(O)CC 240690a_100132302217_100011196387 [0,2,0,0,0,0|2,0,0]=4 2732 B13R0.369 CCCC(=O)OCSC(C)C(=O)CC 62a_100000742827_100000034017 [0,2,0,0,0,0|1,0,1]=4 2733 B13R0.369 CCNC(=O)CCCC(=O)C(C)CC 1458a_100000199580_100000758301 [0,2,0,0,0,0|2,0,0]=4 2734 B13R0.369 CCNC(=O)CCNC(=O)C(C)CC 11a_100025743525_100011192722 [0,2,0,0,0,0|2,0,0]=4 2735 B13R0.369 CCNC(=O)CCNC(=O)C(C)CC 1626a_100025743525_100011192722 [0,2,0,0,0,0|2,0,0]=4 2736 B13R0.369 CCNC(=O)CCNC(=O)C(C)CC 240690a_100025743525_100011192722 [0,2,0,0,0,0|2,0,0]=4 2737 B13R0.369 CCNC(=O)CCNC(=O)C(C)CC 527a_100025743525_100011192722 [0,2,0,0,0,0|2,0,0]=4 2738 B13R0.369 CCNC(=O)CCNC(=O)C(O)CC 240690a_100025743525_100011196387 [0,2,0,0,0,0|2,0,0]=4 2739 B13R0.369 CCOC(=O)CCCC(=O)C(C)CC 1458a_100000210991_100000758301 [0,2,0,0,0,0|2,0,0]=4 2740 B13R0.369 CCOC(=O)CCCC(=O)C(C)CC 1458a_100011192722_100011215271 [0,2,0,0,0,0|2,0,0]=4 2741 B13R0.369 CCOC(=O)CCCC(=O)C(O)CC 1458a_100011196387_100011215271 [0,2,0,0,0,0|2,0,0]=4 2742 B13R0.369 CCOC(=O)CCNC(=O)C(C)CC 188690a_100000746078_100011192722 [0,2,0,0,0,0|2,0,0]=4 2743 B13R0.369 CCOC(=O)CCNC(=O)C(O)CC 188690a_100000746078_100011196387 [0,2,0,0,0,0|2,0,0]=4 2744 B13R0.17 CCCC(=O)OCC(=O)C=C(C)CC 1458a_100020758463_100000034017 [0,2,0,0,0,0|0,0,1]=3 2745 B13R0.18 CC/C=C(\C)/C(=O)COC(=O)CCC 1458a_100016988807_100000034017 [0,2,0,0,0,0|0,0,1]=3 2746 B13R0.18 CCCC(=O)C(C)CCC(=O)OCC 1458a_100000211992_100000748298 [0,2,0,0,0,0|2,0,0]=4 2747 B13R0.18 CCCC(=O)N(C)CCC(=O)OCC 11a_100000745921_100000211992 [0,2,0,0,0,0|2,0,0]=4 2748 B13R0.18 CCCC(=O)N(C)CCC(=O)OCC 1626a_100000745921_100000211992 [0,2,0,0,0,0|2,0,0]=4 2749 B13R0.18 CCCC(=O)N(C)CCC(=O)OCC 240690a_100000745921_100000211992 [0,2,0,0,0,0|2,0,0]=4 2750 B13R0.18 CCCC(=O)N(C)CCC(=O)OCC 527a_100000745921_100000211992 [0,2,0,0,0,0|2,0,0]=4 2751 B13R0.18 CCCC(=O)OCC(=O)C(=O)NCC 1458a_200011297158_100000034017 [0,2,0,0,0,0|1,0,1]=4 2752 B13R0.95 CCCC(=O)OCC(=O)C=CC(C)C 1458a_100016268746_100000034017 [0,2,0,0,0,0|0,0,1]=3 2753 B13R0.176 CCC=CC(=O)COC(=O)OCCC 1458a_100000212282_200000139673 [0,2,0,0,0,0|0,0,1]=3 2754 B13R0.176 CCCOC(=O)OCC(=O)C=COC 1458a_100016268678_200000139673 [0,2,0,0,0,0|1,0,1]=4 2755 B13R0.1171 CC/C=C\CCC(=O)/C(=C/CCC)/C 1458a_200020648666_100015370543 [0,2,0,0,0,0|2,0,0]=4 2756 B13R0.1171 CC/C=C\CCC(=O)C(=O)NCCC 1458a_200011297150_100015370543 [0,2,0,0,0,0|1,0,0]=3 2757 B13R0.1171 CC/C=C\CNC(C)C(=O)NCCC 2230a_100025744714_100103147603 [0,2,0,0,0,0|2,0,0]=4 2758 B13R0.1171 CC/C=C\CNC(C)C(=O)NCCC 34a_100025744714_100103147603 [0,2,0,0,0,0|2,0,0]=4 2759 B13R0.1171 CC/C=C\COC(C)C(=O)NCCC 34a_100016268518_100000230305 [0,2,0,0,0,0|2,0,0]=4 2760 B13R0.1171 CC/C=C\COC(C)C(=O)OCCC 34a_100000037348_100103147603 [0,2,0,0,0,0|2,0,0]=4 2761 B13R0.1171 CC/C=C\COC(C)C(=O)OCCC 34a_100016268518_100000760410 [0,2,0,0,0,0|2,0,0]=4 2762 B13R0.1171 CC/C=C\COC(C)C(=O)OCCC 7a_100000037348_100103147603 [0,2,0,0,0,0|2,0,0]=4 2763 B13R0.1171 CC/C=C\CSC(C)C(=O)NCCC 62a_100000230305_100103147603 [0,2,0,0,0,0|2,0,0]=4 2764 B13R0.1171 CC/C=C\CSC(C)C(=O)NCCC 62a_100103147603_100000230305 [0,2,0,0,0,0|2,0,0]=4 2765 B13R0.1171 CC/C=C\CSC(C)C(=O)OCCC 62a_100000760410_100103147603 [0,2,0,0,0,0|2,0,0]=4 2766 B13R0.1171 CC/C=C\CSC(C)C(=O)OCCC 62a_100103147603_100000760410 [0,2,0,0,0,0|2,0,0]=4 2767 B13R0.63 CC/C=C\CCN[C@@H](CCC)C(=O)N 2230a_100000729256_100015370543 [0,2,0,0,0,0|1,0,1]=4 2768 B13R0.63 CC/C=C\CCN[C@@H](CCC)C(=O)N 34a_100000729256_100015370543 [0,2,0,0,0,0|1,0,1]=4 2769 B13R0.63 CC/C=C\CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100015370543 [0,2,0,0,0,0|1,0,1]=4 2770 B13R0.63 CC/C=C\CCOC(CCC)C(=O)N 34a_100011626294_100015370543 [0,2,0,0,0,0|0,0,1]=3 2771 B13R0.63 CC/C=C\CCOC(CCC)C(=O)N 7a_100011626294_100015370543 [0,2,0,0,0,0|0,0,1]=3 2772 B13R0.63 CC/C=C\CCOC(CCC)C(C)C 34a_200011215069_100015370543 [0,2,0,0,0,0|1,0,1]=4 2773 B13R0.63 CC/C=C\CCOC(CCC)C(C)C 7a_200011215069_100015370543 [0,2,0,0,0,0|1,0,1]=4 2774 B13R0.65 C/C=C/C(CCC)OCC/C=C\CC 34a_200016264281_100015370543 [0,2,0,0,0,0|1,0,1]=4 2775 B13R0.65 C/C=C/C(CCC)OCC/C=C\CC 7a_200016264281_100015370543 [0,2,0,0,0,0|1,0,1]=4 2776 B13R0.65 C=CCC(CCC)OCC/C=C\CC 34a_100011215139_100015370543 [0,2,0,0,0,0|1,0,1]=4 2777 B13R0.65 C=CCC(CCC)OCC/C=C\CC 7a_100011215139_100015370543 [0,2,0,0,0,0|1,0,1]=4 2778 B13R0.65 CC/C=C\CCOC(CCC)CCC 34a_100016288707_200011218217 [0,2,0,0,0,0|1,0,1]=4 2779 B13R0.65 CC/C=C\CCOC(CCC)CCC 34a_200011218534_100015370543 [0,2,0,0,0,0|1,0,1]=4 2780 B13R0.65 CC/C=C\CCOC(CCC)CCC 7a_100016288707_200011218217 [0,2,0,0,0,0|1,0,1]=4 2781 B13R0.65 CC/C=C\CCOC(CCC)CCC 7a_200011218534_100015370543 [0,2,0,0,0,0|1,0,1]=4 2782 B13R0.272 C#CC(CCCC)OCC/C=C\CC 34a_200011217967_100015370543 [0,2,0,0,0,0|1,0,1]=4 2783 B13R0.272 C#CC(CCCC)OCC/C=C\CC 7a_200011217967_100015370543 [0,2,0,0,0,0|1,0,1]=4 2784 B13R0.272 C=CC(CCCC)OCC/C=C\CC 34a_200011215037_100015370543 [0,2,0,0,0,0|1,0,1]=4 2785 B13R0.272 C=CC(CCCC)OCC/C=C\CC 7a_200011215037_100015370543 [0,2,0,0,0,0|1,0,1]=4 2786 B13R0.272 CC/C=C\CCOC(CC)CCCC 34a_100011215227_100015370543 [0,2,0,0,0,0|1,0,1]=4 2787 B13R0.272 CC/C=C\CCOC(CC)CCCC 34a_100016288707_200011216223 [0,2,0,0,0,0|1,0,1]=4 2788 B13R0.272 CC/C=C\CCOC(CC)CCCC 7a_100011215227_100015370543 [0,2,0,0,0,0|1,0,1]=4 2789 B13R0.272 CC/C=C\CCOC(CC)CCCC 7a_100016288707_200011216223 [0,2,0,0,0,0|1,0,1]=4 2790 B13R0.272 CC/C=C\CCOC(CN)COCC 34a_102515437182_100015370543 [0,2,0,0,0,0|1,0,1]=4 2791 B13R0.713 CC/C=C\CCOC(C)(CC)CCC 7a_100016288707_200000040151 [0,2,0,0,0,0|1,0,1]=4 2792 B13R0.713 CC/C=C\CCOC(C)(CC)CCC 7a_200011215934_100015370543 [0,2,0,0,0,0|1,0,1]=4 2793 B13R0.113 CCC(=O)NCCNC(=O)CCOC 11a_100132302217_100000749529 [0,2,0,0,0,0|2,0,0]=4 2794 B13R0.113 CCC(=O)NCCNC(=O)CCOC 1626a_100132302217_100000749529 [0,2,0,0,0,0|2,0,0]=4 2795 B13R0.113 CCC(=O)NCCNC(=O)CCOC 240690a_100132302217_100000749529 [0,2,0,0,0,0|2,0,0]=4 2796 B13R0.113 CCC(=O)NCCNC(=O)CCOC 527a_100132302217_100000749529 [0,2,0,0,0,0|2,0,0]=4 2797 B13R0.113 CCC(=O)NCCNC(=O)CCSC 11a_100132302217_100000174002 [0,2,0,0,0,0|2,0,0]=4 2798 B13R0.113 CCC(=O)NCCNC(=O)CCSC 1626a_100132302217_100000174002 [0,2,0,0,0,0|2,0,0]=4 2799 B13R0.113 CCC(=O)NCCNC(=O)CCSC 240690a_100132302217_100000174002 [0,2,0,0,0,0|2,0,0]=4 2800 B13R0.113 CCC(=O)NCCNC(=O)CCSC 527a_100132302217_100000174002 [0,2,0,0,0,0|2,0,0]=4 2801 B13R0.113 CCCCC(=O)NCCNC(=O)CC 11a_100132302217_100000210183 [0,2,0,0,0,0|2,0,0]=4 2802 B13R0.113 CCCCC(=O)NCCNC(=O)CC 1626a_100132302217_100000210183 [0,2,0,0,0,0|2,0,0]=4 2803 B13R0.113 CCCCC(=O)NCCNC(=O)CC 240690a_100132302217_100000210183 [0,2,0,0,0,0|2,0,0]=4 2804 B13R0.113 CCCCC(=O)NCCNC(=O)CC 527a_100132302217_100000210183 [0,2,0,0,0,0|2,0,0]=4 2805 B13R0.113 CCCNC(=O)NCCNC(=O)CC 2708a_100020643023_100132302217 [0,2,0,0,0,0|2,0,0]=4 2806 B13R0.113 CCCNC(=O)NCCNC(=O)CC 2708a_100132302217_100020643023 [0,2,0,0,0,0|2,0,0]=4 2807 B13R0.113 CCCNC(=O)NCCNC(=O)CC 273464a_100020643023_100132302217 [0,2,0,0,0,0|2,0,0]=4 2808 B13R0.113 CCCNC(=O)NCCNC(=O)CC 273464a_100132302217_100020643023 [0,2,0,0,0,0|2,0,0]=4 2809 B13R0.113 CCCNC(=O)NCCNC(=O)CC 512a_100020643023_100132302217 [0,2,0,0,0,0|2,0,0]=4 2810 B13R0.113 CCCNC(=O)NCCNC(=O)CC 512a_100132302217_100020643023 [0,2,0,0,0,0|2,0,0]=4 2811 B13R0.113 CCCOC(=O)OCOCC(=O)CC 34a_100000725409_200000139673 [0,2,0,0,0,0|1,0,1]=4 2812 B13R0.113 CCCOC(=O)OCSCC(=O)CC 62a_100000747405_200000139673 [0,2,0,0,0,0|1,0,1]=4 2813 B13R0.113 CCOCC(=O)NCCNC(=O)CC 11a_100132302217_100000211967 [0,2,0,0,0,0|2,0,0]=4 2814 B13R0.113 CCOCC(=O)NCCNC(=O)CC 1626a_100132302217_100000211967 [0,2,0,0,0,0|2,0,0]=4 2815 B13R0.113 CCOCC(=O)NCCNC(=O)CC 240690a_100132302217_100000211967 [0,2,0,0,0,0|2,0,0]=4 2816 B13R0.113 CCOCC(=O)NCCNC(=O)CC 527a_100132302217_100000211967 [0,2,0,0,0,0|2,0,0]=4 2817 B13R0.113 CCSCC(=O)NCCNC(=O)CC 11a_100132302217_100000230394 [0,2,0,0,0,0|2,0,0]=4 2818 B13R0.113 CCSCC(=O)NCCNC(=O)CC 1626a_100132302217_100000230394 [0,2,0,0,0,0|2,0,0]=4 2819 B13R0.113 CCSCC(=O)NCCNC(=O)CC 240690a_100132302217_100000230394 [0,2,0,0,0,0|2,0,0]=4 2820 B13R0.113 CCSCC(=O)NCCNC(=O)CC 527a_100132302217_100000230394 [0,2,0,0,0,0|2,0,0]=4 2821 B13R0.154 CC/C=C\CCOC(C)CCC(C)C 34a_100011215350_100015370543 [0,2,0,0,0,0|1,0,1]=4 2822 B13R0.154 CC/C=C\CCOC(C)CCC(C)C 34a_100016288707_100011261404 [0,2,0,0,0,0|1,0,1]=4 2823 B13R0.154 CC/C=C\CCOC(C)CCC(C)C 7a_100011215350_100015370543 [0,2,0,0,0,0|1,0,1]=4 2824 B13R0.154 CC/C=C\COCC(=O)NCC(C)C 34a_100016268518_100000183291 [0,2,0,0,0,0|2,0,0]=4 2825 B13R0.154 CC/C=C\CSCC(=O)NCC(C)C 62a_100000183291_100103147603 [0,2,0,0,0,0|2,0,0]=4 2826 B13R0.154 CC/C=C\CSCC(=O)NCC(C)C 62a_100103147603_100000183291 [0,2,0,0,0,0|2,0,0]=4 2827 B13R0.195 CC/C=C/CC(=O)CC(=O)NCCC 1458a_100016274230_100000183358 [0,2,0,0,0,0|1,0,1]=4 2828 B13R0.195 CC/C=C/CC(=O)CC(=O)OCCC 1458a_100016274230_200011215008 [0,2,0,0,0,0|1,0,1]=4 2829 B13R0.195 CC/C=C\CN(C)CC(=O)NCCC 2230a_100000684209_100103147603 [0,2,0,0,0,0|2,0,0]=4 2830 B13R0.195 CC/C=C\CN(C)CC(=O)NCCC 269982a_100000684209_100103147603 [0,2,0,0,0,0|2,0,0]=4 2831 B13R0.195 CCCCCC(C)OC(=O)CNCC 2230a_100015525214_200000092394 [0,2,0,0,0,0|0,0,2]=4 2832 B13R0.195 CCCCCC(C)OC(=O)COCC 34a_100121572206_200000092394 [0,2,0,0,0,0|0,0,2]=4 2833 B13R0.195 CCCCCC(C)OC(=O)CSCC 62a_100000210202_200000092394 [0,2,0,0,0,0|0,0,2]=4 2834 B13R0.195 CCCCCC(C)OC(=O)CSCC 62a_200000092394_100000210202 [0,2,0,0,0,0|0,0,2]=4 2835 B13R0.338 CC/C=C\CCOC(C)CCCCC 34a_100011215632_100015370543 [0,2,0,0,0,0|1,0,1]=4 2836 B13R0.338 CC/C=C\CCOC(C)CCCCC 34a_100016288707_200011218191 [0,2,0,0,0,0|1,0,1]=4 2837 B13R0.338 CC/C=C\CCOC(C)CCCCC 7a_100011215632_100015370543 [0,2,0,0,0,0|1,0,1]=4 2838 B13R0.338 CC/C=C\CCOC(C)CCCCC 7a_100016288707_200011218191 [0,2,0,0,0,0|1,0,1]=4 2839 B13R0.338 CC/C=C\CCOC(C)CCCOC 34a_200011539412_100015370543 [0,2,0,0,0,0|1,0,1]=4 2840 B13R0.338 CC/C=C\CCOC(C)CCCOC 7a_200011539412_100015370543 [0,2,0,0,0,0|1,0,1]=4 2841 B13R0.338 CC/C=C\CNCC(=O)NCCOC 2230a_100000754632_100103147603 [0,2,0,0,0,0|2,0,0]=4 2842 B13R0.338 CC/C=C\COCC(=O)CCCCC 34a_100016268518_200012276598 [0,2,0,0,0,0|2,0,0]=4 2843 B13R0.338 CC/C=C\COCC(=O)NCCCC 34a_100016268518_100000182744 [0,2,0,0,0,0|2,0,0]=4 2844 B13R0.338 CC/C=C\COCC(=O)NCCOC 34a_100016268518_100000183275 [0,2,0,0,0,0|2,0,0]=4 2845 B13R0.338 CC/C=C\COCC(=O)OCCCC 34a_100016268518_100000211628 [0,2,0,0,0,0|2,0,0]=4 2846 B13R0.338 CC/C=C\COCC(=O)OCCOC 34a_100016268518_200000040189 [0,2,0,0,0,0|2,0,0]=4 2847 B13R0.338 CC/C=C\CSCC(=O)CCCCC 62a_100103147603_200012276598 [0,2,0,0,0,0|2,0,0]=4 2848 B13R0.338 CC/C=C\CSCC(=O)CCCCC 62a_200012276598_100103147603 [0,2,0,0,0,0|2,0,0]=4 2849 B13R0.338 CC/C=C\CSCC(=O)NCCCC 62a_100000182744_100103147603 [0,2,0,0,0,0|2,0,0]=4 2850 B13R0.338 CC/C=C\CSCC(=O)NCCCC 62a_100103147603_100000182744 [0,2,0,0,0,0|2,0,0]=4 2851 B13R0.338 CC/C=C\CSCC(=O)NCCOC 62a_100000183275_100103147603 [0,2,0,0,0,0|2,0,0]=4 2852 B13R0.338 CC/C=C\CSCC(=O)NCCOC 62a_100103147603_100000183275 [0,2,0,0,0,0|2,0,0]=4 2853 B13R0.338 CC/C=C\CSCC(=O)OCCCC 62a_100000211628_100103147603 [0,2,0,0,0,0|2,0,0]=4 2854 B13R0.338 CC/C=C\CSCC(=O)OCCCC 62a_100103147603_100000211628 [0,2,0,0,0,0|2,0,0]=4 2855 B13R0.338 CC/C=C\CSCC(=O)OCCOC 62a_100103147603_200000040189 [0,2,0,0,0,0|2,0,0]=4 2856 B13R0.338 CC/C=C\CSCC(=O)OCCOC 62a_200000040189_100103147603 [0,2,0,0,0,0|2,0,0]=4 2857 B13R0.338 CCC#CCC(C)OCC/C=C\CC 34a_200000035118_100015370543 [0,2,0,0,0,0|1,0,1]=4 2858 B13R0.338 CCC#CCC(C)OCC/C=C\CC 7a_200000035118_100015370543 [0,2,0,0,0,0|1,0,1]=4 2859 B13R0.689 CC/C=C\CCOC(C)(C)CCCBr 7a_100009888830_100015370543 [0,2,0,0,0,0|1,0,1]=4 2860 B13R0.689 CC/C=C\CCOC(C)(C)CCCC 7a_100011219641_100015370543 [0,2,0,0,0,0|1,0,1]=4 2861 B13R0.89 CCCC(=O)NC(C)CC(=O)OCC 188690a_100000686176_100000211992 [0,2,0,0,0,0|2,0,0]=4 2862 B13R0.331 CCCC(=O)CC(=O)C/C=C/C(C)C 1458a_100016292215_100000747444 [0,2,0,0,0,0|1,0,1]=4 2863 B13R0.91 CCCC(=O)NCCNC(=O)C(C)C 11a_100000752568_100000211992 [0,2,0,0,0,0|2,0,0]=4 2864 B13R0.91 CCCC(=O)NCCNC(=O)C(C)C 240690a_100000752568_100000211992 [0,2,0,0,0,0|2,0,0]=4 2865 B13R0.91 CCCC(=O)NCCNC(=O)C(C)C 527a_100000752568_100000211992 [0,2,0,0,0,0|2,0,0]=4 2866 B13R0.91 CCCC(=O)OCSCC(=O)C(C)C 62a_100000753385_100000034017 [0,2,0,0,0,0|1,0,1]=4 2867 B11R1.4 C/C=C/CCOC1CCCC1 34a_100016278192_100000179811 [1,0,0,1,0,0|1,0,1]=4 2868 B11R1.4 CC/C=C\CCN1CCCC1 2230a_100000188435_100015370543 [1,0,0,1,0,0|2,0,0]=4 2869 B11R1.4 CC/C=C\CCN1CCCC1 269982a_100000188435_100015370543 [1,0,0,1,0,0|2,0,0]=4 2870 B11R1.4 CC/C=C\COC1CCCC1 34a_100000210269_100103147603 [1,0,0,1,0,0|1,0,1]=4 2871 B11R1.4 CC/C=C\COC1CCCC1 34a_100016268518_100000179811 [1,0,0,1,0,0|1,0,1]=4 2872 B11R1.4 CC/C=C\COC1CCCC1 7a_100000210269_100103147603 [1,0,0,1,0,0|1,0,1]=4 2873 B11R1.4 CC/C=C\COC1CCCO1 34a_100000085407_100103147603 [1,0,0,1,0,0|0,0,2]=4 2874 B11R1.16 C#CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000184674 [1,0,0,1,0,0|0,0,2]=4 2875 B11R1.16 C=CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210623 [1,0,0,1,0,0|0,0,2]=4 2876 B11R1.16 CCCC(=O)C1C=CCCC1 1458a_100000211992_100000751183 [1,0,0,1,0,0|0,0,2]=4 2877 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000210647_100000210303 [1,0,0,1,0,0|0,0,2]=4 2878 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000211992_100000210327 [1,0,0,1,0,0|0,0,2]=4 2879 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000211992_100000693364 [1,0,0,1,0,0|1,0,1]=4 2880 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000741522_100000210303 [1,0,0,1,0,0|1,0,1]=4 2881 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000195482_100000210303 [1,0,0,1,0,0|1,0,1]=4 2882 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000211992_100011324220 [1,0,0,1,0,0|1,0,1]=4 2883 B11R1.16 CCCC(=O)C1CCSCC1 1458a_100000755232_100000210303 [1,0,0,1,0,0|1,0,1]=4 2884 B11R1.16 CCCC(=O)N1CC=CCC1 11a_100000698166_100000211992 [1,0,0,1,0,0|1,0,0]=3 2885 B11R1.16 CCCC(=O)N1CC=CCC1 1626a_100000698166_100000211992 [1,0,0,1,0,0|1,0,0]=3 2886 B11R1.16 CCCC(=O)N1CC=CCC1 240690a_100000698166_100000211992 [1,0,0,1,0,0|1,0,0]=3 2887 B11R1.16 CCCC(=O)N1CC=CCC1 527a_100000698166_100000211992 [1,0,0,1,0,0|1,0,0]=3 2888 B11R1.16 CCCC(=O)N1CCOCC1 11a_100015191051_100000211992 [1,0,0,1,0,0|2,0,0]=4 2889 B11R1.16 CCCC(=O)N1CCOCC1 1626a_100015191051_100000211992 [1,0,0,1,0,0|2,0,0]=4 2890 B11R1.16 CCCC(=O)N1CCOCC1 240690a_100015191051_100000211992 [1,0,0,1,0,0|2,0,0]=4 2891 B11R1.16 CCCC(=O)N1CCOCC1 527a_100015191051_100000211992 [1,0,0,1,0,0|2,0,0]=4 2892 B11R1.16 CCCC(=O)N1CCSCC1 11a_100000737611_100000211992 [1,0,0,1,0,0|2,0,0]=4 2893 B11R1.16 CCCC(=O)N1CCSCC1 240690a_100000737611_100000211992 [1,0,0,1,0,0|2,0,0]=4 2894 B11R1.16 CCCC(=O)N1CCSCC1 527a_100000737611_100000211992 [1,0,0,1,0,0|2,0,0]=4 2895 B11R1.16 CCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210303 [1,0,0,1,0,0|0,0,0]=2 2896 B11R1.16 CCNC(=O)N1CC=CCC1 2708a_100015525214_100000698166 [1,0,0,1,0,0|2,0,0]=4 2897 B11R1.16 CCNC(=O)N1CC=CCC1 273464a_100015525214_100000698166 [1,0,0,1,0,0|2,0,0]=4 2898 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 11a_100015525214_100009820709 [1,0,0,1,0,0|1,0,0]=3 2899 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 240690a_100015525214_100009820709 [1,0,0,1,0,0|1,0,0]=3 2900 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 527a_100015525214_100009820709 [1,0,0,1,0,0|1,0,0]=3 2901 B11R1.16 CNNC(=O)[C@H]1CC=CCC1 22a_100016993582_100009820709 [1,0,0,1,0,0|2,0,0]=4 2902 B11R1.16 COCC(=O)N1CC=CCC1 11a_100000698166_100000210968 [1,0,0,1,0,0|2,0,0]=4 2903 B11R1.16 COCC(=O)N1CC=CCC1 1626a_100000698166_100000210968 [1,0,0,1,0,0|2,0,0]=4 2904 B11R1.16 COCC(=O)N1CC=CCC1 240690a_100000698166_100000210968 [1,0,0,1,0,0|2,0,0]=4 2905 B11R1.16 COCC(=O)N1CC=CCC1 527a_100000698166_100000210968 [1,0,0,1,0,0|2,0,0]=4 2906 B11R1.16 CSCC(=O)N1CC=CCC1 11a_100000698166_100000184570 [1,0,0,1,0,0|2,0,0]=4 2907 B11R1.16 CSCC(=O)N1CC=CCC1 1626a_100000698166_100000184570 [1,0,0,1,0,0|2,0,0]=4 2908 B11R1.16 CSCC(=O)N1CC=CCC1 240690a_100000698166_100000184570 [1,0,0,1,0,0|2,0,0]=4 2909 B11R1.16 CSCC(=O)N1CC=CCC1 527a_100000698166_100000184570 [1,0,0,1,0,0|2,0,0]=4 2910 B11R1.16 N#CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100011214920 [1,0,0,1,0,0|1,0,1]=4 2911 B11R1.16 O=C(CCF)[C@H]1CC=CCC1 1458a_100009820709_100011217306 [1,0,0,1,0,0|1,0,0]=3 2912 B11R1.16 O=C(CCO)N1CC=CCC1 240690a_100000698166_100011216618 [1,0,0,1,0,0|2,0,0]=4 2913 B11R1.16 O=C(CCO)[C@H]1CC=CCC1 1458a_100009820709_100000211926 [1,0,0,1,0,0|1,0,0]=3 2914 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [1,0,0,1,0,0|1,0,1]=4 2915 B11R1.24 CCOCC1CCCC(=O)N1 34a_200000102386_100000210202 [1,0,0,1,0,0|2,0,0]=4 2916 B11R1.30 C#CCC(=O)CC1C=CCC1 1458a_100000212241_100000184674 [1,0,0,1,0,0|0,0,2]=4 2917 B11R1.30 C=CCC(=O)CC1C=CCC1 1458a_100000212241_100000210623 [1,0,0,1,0,0|0,0,2]=4 2918 B11R1.30 CCCC(=O)CC1=CCCC1 1458a_100000050221_100000210303 [1,0,0,1,0,0|0,0,2]=4 2919 B11R1.30 CCCC(=O)CC1C=CCC1 1458a_100000212241_100000210303 [1,0,0,1,0,0|0,0,0]=2 2920 B11R1.30 CCCC(=O)CC1CC=CC1 1458a_200000137526_100000210303 [1,0,0,1,0,0|1,0,0]=3 2921 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000210891_100000210303 [1,0,0,1,0,0|0,0,2]=4 2922 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000211992_100000740388 [1,0,0,1,0,0|0,0,2]=4 2923 B11R1.30 CCCC(=O)CC1CCCO1 1458a_100000211992_100000203698 [1,0,0,1,0,0|1,0,1]=4 2924 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100000211992_100000702531 [1,0,0,1,0,0|1,0,1]=4 2925 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100011218419_100000210303 [1,0,0,1,0,0|1,0,1]=4 2926 B11R1.30 CCCC(=O)CN1CC=CC1 269982a_100015195280_100000747444 [1,0,0,1,0,0|2,0,0]=4 2927 B11R1.30 CCCC(=O)NC1CC=CC1 11a_100015188752_100000211992 [1,0,0,1,0,0|1,0,0]=3 2928 B11R1.30 CCCC(=O)NC1CC=CC1 1626a_100015188752_100000211992 [1,0,0,1,0,0|1,0,0]=3 2929 B11R1.30 CCCC(=O)NC1CC=CC1 240690a_100015188752_100000211992 [1,0,0,1,0,0|1,0,0]=3 2930 B11R1.30 CCCC(=O)NC1CC=CC1 527a_100015188752_100000211992 [1,0,0,1,0,0|1,0,0]=3 2931 B11R1.30 CCCC(=O)NC1CCCC1 11a_100000211070_100000211992 [1,0,0,1,0,0|1,0,1]=4 2932 B11R1.30 CCCC(=O)NC1CCCC1 1626a_100000211070_100000211992 [1,0,0,1,0,0|1,0,1]=4 2933 B11R1.30 CCCC(=O)NC1CCCC1 240690a_100000211070_100000211992 [1,0,0,1,0,0|1,0,1]=4 2934 B11R1.30 CCCC(=O)NC1CCCC1 527a_100000211070_100000211992 [1,0,0,1,0,0|1,0,1]=4 2935 B11R1.30 CCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000211992 [1,0,0,1,0,0|2,0,0]=4 2936 B11R1.30 CCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000211992 [1,0,0,1,0,0|2,0,0]=4 2937 B11R1.30 CCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000211992 [1,0,0,1,0,0|2,0,0]=4 2938 B11R1.30 CCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000211992 [1,0,0,1,0,0|2,0,0]=4 2939 B11R1.30 CCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000211992 [1,0,0,1,0,0|2,0,0]=4 2940 B11R1.30 CCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000211992 [1,0,0,1,0,0|2,0,0]=4 2941 B11R1.30 CCNC(=O)CC1C=CCC1 11a_100015525214_100000212241 [1,0,0,1,0,0|1,0,0]=3 2942 B11R1.30 CCNC(=O)CC1C=CCC1 240690a_100015525214_100000212241 [1,0,0,1,0,0|1,0,0]=3 2943 B11R1.30 CCNC(=O)CC1C=CCC1 527a_100015525214_100000212241 [1,0,0,1,0,0|1,0,0]=3 2944 B11R1.30 CCNC(=O)CC1CC=CC1 11a_100015525214_200000137526 [1,0,0,1,0,0|2,0,0]=4 2945 B11R1.30 CCNC(=O)CC1CC=CC1 240690a_100015525214_200000137526 [1,0,0,1,0,0|2,0,0]=4 2946 B11R1.30 CCNC(=O)CC1CC=CC1 527a_100015525214_200000137526 [1,0,0,1,0,0|2,0,0]=4 2947 B11R1.30 CCNC(=O)NC1CC=CC1 2708a_100015188752_100015525214 [1,0,0,1,0,0|2,0,0]=4 2948 B11R1.30 CCNC(=O)NC1CC=CC1 2708a_100015525214_100015188752 [1,0,0,1,0,0|2,0,0]=4 2949 B11R1.30 CCNC(=O)NC1CC=CC1 273464a_100015188752_100015525214 [1,0,0,1,0,0|2,0,0]=4 2950 B11R1.30 CCNC(=O)NC1CC=CC1 273464a_100015525214_100015188752 [1,0,0,1,0,0|2,0,0]=4 2951 B11R1.30 CCNC(=O)NC1CC=CC1 512a_100015188752_100015525214 [1,0,0,1,0,0|2,0,0]=4 2952 B11R1.30 CCNC(=O)NC1CC=CC1 512a_100015525214_100015188752 [1,0,0,1,0,0|2,0,0]=4 2953 B11R1.30 CNNC(=O)CC1C=CCC1 22a_100016993582_100000212241 [1,0,0,1,0,0|2,0,0]=4 2954 B11R1.30 COCC(=O)NC1CC=CC1 11a_100015188752_100000210968 [1,0,0,1,0,0|2,0,0]=4 2955 B11R1.30 COCC(=O)NC1CC=CC1 1626a_100015188752_100000210968 [1,0,0,1,0,0|2,0,0]=4 2956 B11R1.30 COCC(=O)NC1CC=CC1 240690a_100015188752_100000210968 [1,0,0,1,0,0|2,0,0]=4 2957 B11R1.30 COCC(=O)NC1CC=CC1 527a_100015188752_100000210968 [1,0,0,1,0,0|2,0,0]=4 2958 B11R1.30 CSCC(=O)NC1CC=CC1 11a_100015188752_100000184570 [1,0,0,1,0,0|2,0,0]=4 2959 B11R1.30 CSCC(=O)NC1CC=CC1 1626a_100015188752_100000184570 [1,0,0,1,0,0|2,0,0]=4 2960 B11R1.30 CSCC(=O)NC1CC=CC1 240690a_100015188752_100000184570 [1,0,0,1,0,0|2,0,0]=4 2961 B11R1.30 CSCC(=O)NC1CC=CC1 527a_100015188752_100000184570 [1,0,0,1,0,0|2,0,0]=4 2962 B11R1.30 N#CCC(=O)CC1C=CCC1 1458a_100000212241_100011214920 [1,0,0,1,0,0|1,0,1]=4 2963 B11R1.30 O=C(CCF)CC1C=CCC1 1458a_100000212241_100011217306 [1,0,0,1,0,0|1,0,0]=3 2964 B11R1.30 O=C(CCF)CC1CC=CC1 1458a_200000137526_100011217306 [1,0,0,1,0,0|2,0,0]=4 2965 B11R1.30 O=C(CCO)CC1C=CCC1 1458a_100000212241_100000211926 [1,0,0,1,0,0|1,0,0]=3 2966 B11R1.30 O=C(CCO)CC1CC=CC1 1458a_200000137526_100000211926 [1,0,0,1,0,0|2,0,0]=4 2967 B11R1.30 O=C(CCO)NC1CC=CC1 240690a_100015188752_100011216618 [1,0,0,1,0,0|2,0,0]=4 2968 B11R1.78 CC/C=C\CCN1CC(C1)C 2230a_100000702820_100015370543 [1,0,0,1,0,0|2,0,0]=4 2969 B11R1.78 CC/C=C\CCN1CC(C1)C 269982a_100000702820_100015370543 [1,0,0,1,0,0|2,0,0]=4 2970 B11R1.78 CC/C=C\CCN1CC(C1)C 34a_100000702820_100015370543 [1,0,0,1,0,0|2,0,0]=4 2971 B11R1.180 C/C=C/COC1CCCC1=O 34a_100016270725_100000709159 [1,0,0,1,0,0|2,0,0]=4 2972 B11R1.180 C/C=C/COC1CCCC1=O 34a_200000719330_100102629194 [1,0,0,1,0,0|2,0,0]=4 2973 B11R1.180 C/C=C/CSC1CCCC1=O 62a_100000211823_100102629194 [1,0,0,1,0,0|2,0,0]=4 2974 B11R1.180 C/C=C/CSC1CCCC1=O 62a_100102629194_100000211823 [1,0,0,1,0,0|2,0,0]=4 2975 B11R1.180 CC=CCOC1CCCC1=O 34a_200000719330_100000070051 [1,0,0,1,0,0|2,0,0]=4 2976 B11R1.180 CC=CCSC1CCCC1=O 62a_100000070051_100000211823 [1,0,0,1,0,0|2,0,0]=4 2977 B11R1.180 CC=CCSC1CCCC1=O 62a_100000211823_100000070051 [1,0,0,1,0,0|2,0,0]=4 2978 B11R1.180 CCNCCN1CCCC1=O 2230a_100011200922_100000210202 [1,0,0,1,0,0|2,0,0]=4 2979 B11R1.180 CCNCCN1CCCC1=O 2230a_100015525214_100000739059 [1,0,0,1,0,0|2,0,0]=4 2980 B11R1.180 CCOCCN1CCCC1=O 34a_100000211209_100000210202 [1,0,0,1,0,0|2,0,0]=4 2981 B11R1.180 CCOCCN1CCCC1=O 34a_100121572206_100000739059 [1,0,0,1,0,0|2,0,0]=4 2982 B11R1.180 CCOCCN1CCCC1=O 7a_100000211209_100000210202 [1,0,0,1,0,0|2,0,0]=4 2983 B11R1.180 CCSCCN1CCCC1=O 62a_100000210202_100000739059 [1,0,0,1,0,0|2,0,0]=4 2984 B11R1.180 CCSCCN1CCCC1=O 62a_100000739059_100000210202 [1,0,0,1,0,0|2,0,0]=4 2985 B11R1.199 CCCC(=O)C1CCCC1C 1458a_100000690547_100000210303 [1,0,0,1,0,0|0,0,2]=4 2986 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211992 [1,0,0,1,0,0|1,0,1]=4 2987 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000211992 [1,0,0,1,0,0|1,0,1]=4 2988 B11R1.199 CCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000211992 [1,0,0,1,0,0|1,0,1]=4 2989 B11R1.199 CCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211992 [1,0,0,1,0,0|1,0,1]=4 2990 B11R1.199 CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000211992 [1,0,0,1,0,0|1,0,1]=4 2991 B11R1.199 CCCC(=O)N1CCSC1C 11a_200011216479_100000211992 [1,0,0,1,0,0|2,0,0]=4 2992 B11R1.199 CCCC(=O)N1CCSC1C 1626a_200011216479_100000211992 [1,0,0,1,0,0|2,0,0]=4 2993 B11R1.199 CCCC(=O)N1CCSC1C 240690a_200011216479_100000211992 [1,0,0,1,0,0|2,0,0]=4 2994 B11R1.199 CCCC(=O)N1CCSC1C 527a_200011216479_100000211992 [1,0,0,1,0,0|2,0,0]=4 2995 B11R1.265 CCC1C(=O)NCCN1CC 2230a_100000187962_100000210202 [1,0,0,1,0,0|2,0,0]=4 2996 B11R1.265 CCC1C(=O)NCCN1CC 269982a_100000187962_100000204670 [1,0,0,1,0,0|2,0,0]=4 2997 B11R1.265 CCC1C(=O)NCCN1CC 34a_100000187962_100000210202 [1,0,0,1,0,0|2,0,0]=4 2998 B11R1.289 CCCC(=O)NCC1CCC1 11a_100000738700_100000211992 [1,0,0,1,0,0|1,0,1]=4 2999 B11R1.289 CCCC(=O)NCC1CCC1 1626a_100000738700_100000211992 [1,0,0,1,0,0|1,0,1]=4 3000 B11R1.289 CCCC(=O)NCC1CCC1 240690a_100000738700_100000211992 [1,0,0,1,0,0|1,0,1]=4 3001 B11R1.289 CCCC(=O)NCC1CCC1 527a_100000738700_100000211992 [1,0,0,1,0,0|1,0,1]=4 3002 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000211992 [1,0,0,1,0,0|2,0,0]=4 3003 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000211992 [1,0,0,1,0,0|2,0,0]=4 3004 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000211992 [1,0,0,1,0,0|2,0,0]=4 3005 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000211992 [1,0,0,1,0,0|2,0,0]=4 3006 B11R1.289 CCCC(=O)OCN1CCC1 269982a_100000754969_100000034017 [1,0,0,1,0,0|1,0,1]=4 3007 B11R1.290 CCCC(=O)NCCC1CC1 1626a_100000764129_100000211992 [1,0,0,1,0,0|1,0,1]=4 3008 B11R1.290 CCCC(=O)NCCC1CC1 240690a_100000764129_100000211992 [1,0,0,1,0,0|1,0,1]=4 3009 B11R1.290 CCCC(=O)NCCC1CC1 527a_100000764129_100000211992 [1,0,0,1,0,0|1,0,1]=4 3010 B11R1.290 CCCC(=O)OCNC1CC1 34a_100000212008_100000034017 [1,0,0,1,0,0|1,0,1]=4 3011 B11R1.356 C/C=C/COCC(=O)C1CC1 34a_100000686663_100102629194 [1,0,0,1,0,0|2,0,0]=4 3012 B11R1.356 C/C=C/COCC(=O)C1CC1 34a_100016270725_100000746382 [1,0,0,1,0,0|2,0,0]=4 3013 B11R1.356 C/C=C/CSCC(=O)C1CC1 62a_100000746382_100102629194 [1,0,0,1,0,0|2,0,0]=4 3014 B11R1.356 C/C=C/CSCC(=O)C1CC1 62a_100102629194_100000746382 [1,0,0,1,0,0|2,0,0]=4 3015 B11R1.356 CC/C=C\CCC(=O)C1CC1 1458a_100000210395_100015370543 [1,0,0,1,0,0|0,0,0]=2 3016 B11R1.356 CC/C=C\CCC(=O)C1CO1 1458a_100000701028_100015370543 [1,0,0,1,0,0|1,0,0]=3 3017 B11R1.356 CC/C=C\CCN(C)C1CC1 2230a_100000226674_100015370543 [1,0,0,1,0,0|2,0,0]=4 3018 B11R1.356 CC/C=C\CCN(C)C1CC1 269982a_100000226674_100015370543 [1,0,0,1,0,0|2,0,0]=4 3019 B11R1.356 CC/C=C\COC(C)C1CC1 34a_100000744524_100103147603 [1,0,0,1,0,0|1,0,1]=4 3020 B11R1.356 CC/C=C\COC(C)C1CC1 7a_100000744524_100103147603 [1,0,0,1,0,0|1,0,1]=4 3021 B11R1.356 CC=CCOCC(=O)C1CC1 34a_100000686663_100000070051 [1,0,0,1,0,0|2,0,0]=4 3022 B11R1.356 CC=CCSCC(=O)C1CC1 62a_100000070051_100000746382 [1,0,0,1,0,0|2,0,0]=4 3023 B11R1.356 CC=CCSCC(=O)C1CC1 62a_100000746382_100000070051 [1,0,0,1,0,0|2,0,0]=4 3024 B11R1.356 CCCCCCC(=O)C1CC1 1458a_100000210395_100000210757 [1,0,0,1,0,0|0,0,2]=4 3025 B11R1.356 CCCCCNC(=O)C1CC1 11a_100000209983_100000210395 [1,0,0,1,0,0|1,0,1]=4 3026 B11R1.356 CCCCCNC(=O)C1CC1 1626a_100000209983_100000210395 [1,0,0,1,0,0|1,0,1]=4 3027 B11R1.356 CCCCCNC(=O)C1CC1 240690a_100000209983_100000210395 [1,0,0,1,0,0|1,0,1]=4 3028 B11R1.356 CCCCCNC(=O)C1CC1 527a_100000209983_100000210395 [1,0,0,1,0,0|1,0,1]=4 3029 B11R1.356 CCCOCCC(=O)C1CC1 1458a_100000210395_100011215938 [1,0,0,1,0,0|1,0,1]=4 3030 B11R1.356 CCCOCOC(=O)C1CC1 34a_100000210258_100000140896 [1,0,0,1,0,0|1,0,1]=4 3031 B11R1.356 CCCSCOC(=O)C1CC1 62a_100000140896_100000210303 [1,0,0,1,0,0|1,0,1]=4 3032 B11R1.356 CCCSCOC(=O)C1CC1 62a_100000210303_100000140896 [1,0,0,1,0,0|1,0,1]=4 3033 B11R1.356 CCOCCCC(=O)C1CC1 1458a_100000210395_100012232248 [1,0,0,1,0,0|1,0,1]=4 3034 B11R1.356 CCOCCNC(=O)C1CC1 11a_100011200944_100000210395 [1,0,0,1,0,0|2,0,0]=4 3035 B11R1.356 CCOCCNC(=O)C1CC1 1626a_102516460346_100000210395 [1,0,0,1,0,0|2,0,0]=4 3036 B11R1.356 CCOCCNC(=O)C1CC1 240690a_100011200944_100000210395 [1,0,0,1,0,0|2,0,0]=4 3037 B11R1.356 CCOCCNC(=O)C1CC1 527a_100011200944_100000210395 [1,0,0,1,0,0|2,0,0]=4 3038 B11R1.356 CCSCCNC(=O)C1CC1 11a_100000106463_100000210395 [1,0,0,1,0,0|2,0,0]=4 3039 B11R1.356 CCSCCNC(=O)C1CC1 1626a_100000106463_100000210395 [1,0,0,1,0,0|2,0,0]=4 3040 B11R1.356 CCSCCNC(=O)C1CC1 240690a_100000106463_100000210395 [1,0,0,1,0,0|2,0,0]=4 3041 B11R1.356 CCSCCNC(=O)C1CC1 527a_100000106463_100000210395 [1,0,0,1,0,0|2,0,0]=4 3042 B11R1.899 CC/C=C\COC1(CCC1)C 34a_100000759064_100103147603 [1,0,0,1,0,0|1,0,1]=4 3043 B11R1.899 CC/C=C\COC1(CCC1)C 7a_100000759064_100103147603 [1,0,0,1,0,0|1,0,1]=4 3044 B11R1.28 CCCCOC1CC=CCC1 34a_100000073881_100000210210 [1,0,0,1,0,0|0,0,1]=3 3045 B11R1.28 CCCNCC1CC=CCC1 270004a_100020643023_100000189434 [1,0,0,1,0,0|2,0,0]=4 3046 B11R1.28 CCCOCC1CC=CCC1 34a_100000210713_100000210303 [1,0,0,1,0,0|2,0,0]=4 3047 B11R1.28 COCCOC1CC=CCC1 34a_100000073881_100011201679 [1,0,0,1,0,0|1,0,1]=4 3048 B11R1.28 CSCCOC1CC=CCC1 34a_100000073881_100000212216 [1,0,0,1,0,0|1,0,1]=4 3049 B11R1.28 FCCCOC1CC=CCC1 34a_100000073881_100011934791 [1,0,0,1,0,0|1,0,1]=4 3050 B11R1.28 OCCCOC1CC=CCC1 34a_100000073881_100000230001 [1,0,0,1,0,0|1,0,1]=4 3051 B11R1.47 CC/C=C\CCNC1CCC1 2230a_100000749019_100015370543 [1,0,0,1,0,0|1,0,1]=4 3052 B11R1.47 CC/C=C\CCNC1CCC1 34a_100000749019_100015370543 [1,0,0,1,0,0|1,0,1]=4 3053 B11R1.47 CC/C=C\CCOC1CCC1 34a_100000748187_100015370543 [1,0,0,1,0,0|0,0,1]=3 3054 B11R1.47 CC/C=C\CCOC1CCC1 34a_100016288707_100000749161 [1,0,0,1,0,0|0,0,1]=3 3055 B11R1.47 CC/C=C\CCOC1COC1 34a_100016288707_100009818527 [1,0,0,1,0,0|1,0,1]=4 3056 B11R1.47 CC/C=C\CCOC1COC1 7a_100016288707_100009818527 [1,0,0,1,0,0|1,0,1]=4 3057 B11R1.47 CC/C=C\CCOC1CSC1 7a_100000072292_100015370543 [1,0,0,1,0,0|1,0,1]=4 3058 B11R1.47 CC/C=C\CCSC1CCC1 62a_100015370543_100000749161 [1,0,0,1,0,0|0,1,1]=4 3059 B11R1.99 CC/C=C/CCCOC1CC1 34a_100016287902_100000211595 [1,0,0,1,0,0|2,0,0]=4 3060 B11R1.99 CC/C=C\CCNCC1CC1 2230a_100000735609_100015370543 [1,0,0,1,0,0|1,0,1]=4 3061 B11R1.99 CC/C=C\CCNCC1CC1 34a_100000735609_100015370543 [1,0,0,1,0,0|1,0,1]=4 3062 B11R1.99 CC/C=C\CCOCC1CC1 34a_100000211283_100015370543 [1,0,0,1,0,0|0,0,1]=3 3063 B11R1.99 CC/C=C\CCOCC1CC1 34a_100016288707_100000742324 [1,0,0,1,0,0|0,0,1]=3 3064 B11R1.99 CC/C=C\CCOCC1CC1 7a_100016288707_100000742324 [1,0,0,1,0,0|0,0,1]=3 3065 B11R1.99 CC/C=C\CCOCC1CO1 34a_100016288707_102125554688 [1,0,0,1,0,0|1,0,1]=4 3066 B11R1.99 CC/C=C\CCOCC1CO1 7a_100016288707_102125554688 [1,0,0,1,0,0|1,0,1]=4 3067 B11R1.99 CC/C=C\CCOCC1CS1 7a_100016288707_100000031435 [1,0,0,1,0,0|1,0,1]=4 3068 B11R1.99 CC/C=C\CCOC[C@@H]1CO1 34a_100000757423_100015370543 [1,0,0,1,0,0|1,0,1]=4 3069 B11R1.99 CC/C=C\CCOC[C@@H]1CO1 7a_100016288707_100000745022 [1,0,0,1,0,0|1,0,1]=4 3070 B11R1.99 CC/C=C\CCSCC1CC1 62a_100000756562_100015370543 [1,0,0,1,0,0|0,1,1]=4 3071 B11R1.99 CC/C=C\CCSCC1CC1 62a_100015370543_100000742324 [1,0,0,1,0,0|0,1,1]=4 3072 B11R1.190 CC/C=C\CCN1CCC1C 269982a_100000755817_100015370543 [1,0,0,1,0,0|1,0,1]=4 3073 B11R1.190 CC/C=C\CCN1CCC1C 34a_100000755817_100015370543 [1,0,0,1,0,0|1,0,1]=4 3074 B11R1.40 CCC(=O)CN1CC=CCC1 269982a_100000698166_100000747405 [1,0,0,1,0,0|2,0,0]=4 3075 B11R1.40 CCC(C)OC1CC=CCC1 34a_100000073881_100011215416 [1,0,0,1,0,0|1,0,1]=4 3076 B11R1.320 CC/C=C\CCOC1(CC1)C 7a_100011725673_100015370543 [1,0,0,1,0,0|1,0,1]=4 3077 B11R1.852 CCC(=O)C1CCC=CCC1 1458a_100000048548_100000210202 [1,0,0,1,0,0|1,0,0]=3 3078 B11R1.852 CNC(=O)C1CCC=CCC1 11a_106832991635_100000048548 [1,0,0,1,0,0|2,0,0]=4 3079 B11R1.852 CNC(=O)C1CCC=CCC1 1626a_100102657272_100000048548 [1,0,0,1,0,0|2,0,0]=4 3080 B11R1.852 CNC(=O)C1CCC=CCC1 240690a_100102657272_100000048548 [1,0,0,1,0,0|2,0,0]=4 3081 B11R1.852 CNC(=O)C1CCC=CCC1 527a_100102657272_100000048548 [1,0,0,1,0,0|2,0,0]=4 3082 B11R1.852 O=C(CF)C1CCC=CCC1 1458a_100000048548_100015361967 [1,0,0,1,0,0|2,0,0]=4 3083 B13R1.6 CC/C=C\CCN1CCNC(=O)C1 2230a_100000184651_100015370543 [0,1,0,1,0,0|2,0,0]=4 3084 B13R1.6 CC/C=C\CCN1CCOC(=O)C1 2230a_100000131268_100015370543 [0,1,0,1,0,0|2,0,0]=4 3085 B13R1.6 CC/C=C\CNC1CCNC(=O)C1 2230a_100016994916_100103147603 [0,1,0,1,0,0|2,0,0]=4 3086 B13R1.6 CC/C=C\CNC1CCNC(=O)C1 34a_100016994916_100103147603 [0,1,0,1,0,0|2,0,0]=4 3087 B13R1.6 CC/C=C\COC1C=C(CCC1)C 34a_100011218613_100103147603 [0,1,0,1,0,0|2,0,0]=4 3088 B13R1.6 CC/C=C\COC1CCCC(=O)C1 34a_100012613340_100103147603 [0,1,0,1,0,0|1,0,0]=3 3089 B13R1.6 CC/C=C\CO[C@@H]1CCNC(=O)C1 34a_100015189427_100103147603 [0,1,0,1,0,0|2,0,0]=4 3090 B13R1.42 CCCC(=O)COC1CCCCC1 1458a_100000211992_100011935260 [0,1,0,1,0,0|0,0,2]=4 3091 B13R1.42 CCCC(=O)COC1CCCCC1 1458a_100011223303_100000210303 [0,1,0,1,0,0|0,0,2]=4 3092 B13R1.42 CCCC(=O)COC1CCCCC1 7a_100000210231_100000747444 [0,1,0,1,0,0|0,0,2]=4 3093 B13R1.42 CCCC(=O)COC1CCCSC1 7a_100015962668_100000747444 [0,1,0,1,0,0|1,0,1]=4 3094 B13R1.42 CCCC(=O)COC1CCSCC1 7a_100000731022_100000747444 [0,1,0,1,0,0|1,0,1]=4 3095 B13R1.42 CCCC(=O)CSC1C=CCCC1 62a_100000747444_100000751183 [0,1,0,1,0,0|2,0,0]=4 3096 B13R1.42 CCCC(=O)CSC1C=CCCC1 62a_100000751183_100000747444 [0,1,0,1,0,0|2,0,0]=4 3097 B13R1.42 CCCC(=O)OCN1CC=CCC1 2230a_100000698166_100000034017 [0,1,0,1,0,0|0,0,0]=2 3098 B13R1.42 CCCC(=O)OCN1CC=CCC1 269982a_100000698166_100000034017 [0,1,0,1,0,0|0,0,0]=2 3099 B13R1.42 CCCC(=O)OCN1CC=CCC1 34a_100000698166_100000034017 [0,1,0,1,0,0|0,0,0]=2 3100 B13R1.42 CCCC(=O)OCN1CCCOC1 2230a_100000131196_100000034017 [0,1,0,1,0,0|1,0,1]=4 3101 B13R1.42 CCCC(=O)OCN1CCCOC1 269982a_100000131196_100000034017 [0,1,0,1,0,0|1,0,1]=4 3102 B13R1.42 CCCC(=O)OCN1CCCOC1 34a_100000131196_100000034017 [0,1,0,1,0,0|1,0,1]=4 3103 B13R1.42 CCCC(=O)OCN1CCOCC1 2230a_100015191051_100000034017 [0,1,0,1,0,0|1,0,1]=4 3104 B13R1.42 CCCC(=O)OCN1CCOCC1 269982a_100015191051_100000034017 [0,1,0,1,0,0|1,0,1]=4 3105 B13R1.42 CCCC(=O)OCN1CCOCC1 34a_100015191051_100000034017 [0,1,0,1,0,0|1,0,1]=4 3106 B13R1.42 CCCC(=O)OCN1CCSCC1 2230a_100000737611_100000034017 [0,1,0,1,0,0|1,0,1]=4 3107 B13R1.42 CCCC(=O)OCN1CCSCC1 269982a_100000737611_100000034017 [0,1,0,1,0,0|1,0,1]=4 3108 B13R1.42 CCCC(C)COC1CC=CCC1 34a_100000073881_100011216630 [0,1,0,1,0,0|1,0,1]=4 3109 B13R1.42 CCCC(C)OCC1CC=CCC1 34a_100000210713_100000766640 [0,1,0,1,0,0|1,0,1]=4 3110 B13R1.42 CCCC(C)OCC1CCC=CO1 34a_100011217868_100000766640 [0,1,0,1,0,0|1,0,1]=4 3111 B13R1.42 CCNC(=O)CCN1CC=CCC1 2230a_100000698166_100000737597 [0,1,0,1,0,0|2,0,0]=4 3112 B13R1.42 CCNC(=O)CCN1CC=CCC1 269982a_100000698166_100000737597 [0,1,0,1,0,0|2,0,0]=4 3113 B13R1.42 CCNC(=O)COC1CC=CCC1 34a_100000073881_100000183381 [0,1,0,1,0,0|1,0,0]=3 3114 B13R1.42 CCOC(=O)CCN1CC=CCC1 2230a_100000698166_100011206558 [0,1,0,1,0,0|2,0,0]=4 3115 B13R1.42 CCOC(=O)CCN1CC=CCC1 269982a_100000698166_100011206558 [0,1,0,1,0,0|2,0,0]=4 3116 B13R1.42 CCOC(=O)CCN1CC=CCC1 34a_100000698166_100000765890 [0,1,0,1,0,0|2,0,0]=4 3117 B13R1.42 CCOC(=O)COC1CC=CCC1 34a_100000073881_100000188475 [0,1,0,1,0,0|1,0,0]=3 3118 B13R1.42 O=C(COC1CC=CCC1)NCO 34a_100000073881_100000185155 [0,1,0,1,0,0|2,0,0]=4 3119 B13R1.119 CC/C=C/CCCOC1CCCC1 34a_100016287902_100000179811 [0,1,0,1,0,0|1,0,1]=4 3120 B13R1.119 CC/C=C/CCCOC1CCCC1 7a_100016287902_100000179811 [0,1,0,1,0,0|1,0,1]=4 3121 B13R1.119 CC/C=C\CCOCC1=NCCN1 34a_100016288707_100000737910 [0,1,0,1,0,0|2,0,0]=4 3122 B13R1.119 CC/C=C\CCOCC1=NCCN1 7a_100016288707_100000737910 [0,1,0,1,0,0|2,0,0]=4 3123 B13R1.119 CC/C=C\CCOCC1CCCC1 34a_100000742336_100015370543 [0,1,0,1,0,0|1,0,1]=4 3124 B13R1.119 CC/C=C\CCOCC1CCCC1 34a_100016288707_100000740388 [0,1,0,1,0,0|1,0,1]=4 3125 B13R1.119 CC/C=C\CCOCC1CCCC1 7a_100000742336_100015370543 [0,1,0,1,0,0|1,0,1]=4 3126 B13R1.119 CC/C=C\CCOCC1CCCC1 7a_100016288707_100000740388 [0,1,0,1,0,0|1,0,1]=4 3127 B13R1.119 CC/C=C\CCOCC1CCCO1 34a_100000210270_100015370543 [0,1,0,1,0,0|0,0,2]=4 3128 B13R1.119 CC/C=C\CCOCC1CCCO1 7a_100000210270_100015370543 [0,1,0,1,0,0|0,0,2]=4 3129 B13R1.119 CC/C=C\CCOCC1CCCO1 7a_100016288707_100000203698 [0,1,0,1,0,0|0,0,2]=4 3130 B13R1.119 CC/C=C\CCOC[C@H]1CCCN1 34a_100000745186_100015370543 [0,1,0,1,0,0|1,0,1]=4 3131 B13R1.404 CCCC(=O)COCC1CCCC1 7a_100000742336_100000747444 [0,1,0,1,0,0|0,0,2]=4 3132 B13R1.404 CCCC(=O)COCC1CCCO1 1458a_100011223388_100000210303 [0,1,0,1,0,0|1,0,1]=4 3133 B13R1.404 CCCC(=O)COCC1CCCO1 7a_100000210270_100000747444 [0,1,0,1,0,0|1,0,1]=4 3134 B13R1.404 CCCC(=O)OCNC1CC=CC1 2230a_100015188752_100000034017 [0,1,0,1,0,0|0,0,2]=4 3135 B13R1.404 CCCC(=O)OCNC1CCCC1 2230a_100000211070_100000034017 [0,1,0,1,0,0|0,0,2]=4 3136 B13R1.404 CCCC(=O)OCNC1CCCC1 34a_100000211070_100000034017 [0,1,0,1,0,0|0,0,2]=4 3137 B13R1.404 CCCC(=O)OCN[C@@H]1CCOC1 2230a_200015188469_100000034017 [0,1,0,1,0,0|1,0,1]=4 3138 B13R1.404 CCCC(=O)OCN[C@H]1CCOC1 2230a_100015188467_100000034017 [0,1,0,1,0,0|1,0,1]=4 3139 B13R1.404 CCCC(=O)OCN[C@H]1CCOC1 34a_100015188467_100000034017 [0,1,0,1,0,0|1,0,1]=4 3140 B13R1.404 CCCC(=O)OCOC1CCCC1 34a_100000210269_100000034017 [0,1,0,1,0,0|0,0,2]=4 3141 B13R1.404 CCCC(=O)OCOC1CCCO1 34a_100000085407_100000034017 [0,1,0,1,0,0|1,0,1]=4 3142 B13R1.404 CCCC(=O)OCO[C@H]1CCOC1 34a_100000717292_100000034017 [0,1,0,1,0,0|1,0,1]=4 3143 B13R1.404 CCCC(=O)OCSC1CCCC1 62a_100011217020_100000034017 [0,1,0,1,0,0|0,0,2]=4 3144 B13R1.443 CCCC(=O)CN1CC=CC1CC 2230a_100000730860_100000747444 [0,1,0,1,0,0|2,0,0]=4 3145 B13R1.443 CCCC(=O)CN1CC=CC1CC 269982a_100000730860_100000747444 [0,1,0,1,0,0|2,0,0]=4 3146 B13R1.444 CC=CC(=O)CCN1CCCC1=O 1458a_100000210699_100000742232 [0,1,0,1,0,0|1,0,1]=4 3147 B13R1.444 CCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210303 [0,1,0,1,0,0|2,0,0]=4 3148 B13R1.444 CCCC(=O)CCN1CCCC1=O 1458a_100000211992_100000742232 [0,1,0,1,0,0|1,0,1]=4 3149 B13R1.444 CCCC(=O)CCN1CCCC1=O 1458a_100000751031_100000210303 [0,1,0,1,0,0|1,0,1]=4 3150 B13R1.444 CCCC(=O)COC1CCCC1C 7a_100011216460_100000747444 [0,1,0,1,0,0|0,0,2]=4 3151 B13R1.444 CCCC(=O)OCN1CCC[C@@H]1C 2230a_100020605311_100000034017 [0,1,0,1,0,0|0,0,2]=4 3152 B13R1.444 CCCC(=O)OCN1CCC[C@@H]1C 269982a_100020605311_100000034017 [0,1,0,1,0,0|0,0,2]=4 3153 B13R1.444 CCCC(=O)OCN1CCC[C@H]1C 2230a_100015189458_100000034017 [0,1,0,1,0,0|0,0,2]=4 3154 B13R1.444 CCCC(=O)OCN1CCC[C@H]1C 269982a_100015189458_100000034017 [0,1,0,1,0,0|0,0,2]=4 3155 B13R1.444 CCCC(=O)OCN1CCC[C@H]1C 34a_100015189458_100000034017 [0,1,0,1,0,0|0,0,2]=4 3156 B13R1.444 CCCC(=O)OCN1CCSC1C 2230a_200011216479_100000034017 [0,1,0,1,0,0|1,0,1]=4 3157 B13R1.444 CCCC(=O)OCN1CCSC1C 269982a_200011216479_100000034017 [0,1,0,1,0,0|1,0,1]=4 3158 B13R1.444 CCCC(=O)OCN1CCSC1C 34a_200011216479_100000034017 [0,1,0,1,0,0|1,0,1]=4 3159 B13R1.444 CCNC(=O)CCN1CCCC1=O 11a_100015525214_100000751031 [0,1,0,1,0,0|2,0,0]=4 3160 B13R1.444 CCNC(=O)CCN1CCCC1=O 240690a_100015525214_100000751031 [0,1,0,1,0,0|2,0,0]=4 3161 B13R1.444 CCNC(=O)CCN1CCCC1=O 527a_100015525214_100000751031 [0,1,0,1,0,0|2,0,0]=4 3162 B13R1.447 CCCC(=O)OCOCC1CC1C 34a_100000744939_100000034017 [0,1,0,1,0,0|0,0,2]=4 3163 B13R1.448 CCCC(=O)OCNCC1CCC1 2230a_100000738700_100000034017 [0,1,0,1,0,0|0,0,2]=4 3164 B13R1.448 CCCC(=O)OCNCC1CCC1 34a_100000738700_100000034017 [0,1,0,1,0,0|0,0,2]=4 3165 B13R1.448 CCCC(=O)OCNC[C@@H]1CCO1 2230a_100020831831_100000034017 [0,1,0,1,0,0|1,0,1]=4 3166 B13R1.448 CCCC(=O)OCNC[C@@H]1CCO1 34a_100020831831_100000034017 [0,1,0,1,0,0|1,0,1]=4 3167 B13R1.448 CCCC(=O)OCOCC1CCC1 34a_100000760304_100000034017 [0,1,0,1,0,0|0,0,2]=4 3168 B13R1.448 CCCC(=O)OCOCC1CCO1 34a_100000039022_100000034017 [0,1,0,1,0,0|1,0,1]=4 3169 B13R1.448 CCCC(=O)OCSCC1CCC1 62a_100000763275_100000034017 [0,1,0,1,0,0|0,0,2]=4 3170 B13R1.448 CCCC(=O)OCSCC1CCO1 62a_100000103362_100000034017 [0,1,0,1,0,0|1,0,1]=4 3171 B13R1.453 CCCC(=O)OCNCCC1CC1 34a_100000764129_100000034017 [0,1,0,1,0,0|0,0,2]=4 3172 B13R1.453 CCCC(=O)OCOCCC1CC1 34a_100000754188_100000034017 [0,1,0,1,0,0|0,0,2]=4 3173 B13R1.453 CCCC(=O)OCSCCC1CC1 62a_100000764125_100000034017 [0,1,0,1,0,0|0,0,2]=4 3174 B13R1.461 CCCC(=O)OCSC1CCC1=O 62a_100009892977_100000034017 [0,1,0,1,0,0|1,0,1]=4 3175 B13R1.654 C/C=C/C=C/COC1CCCC1=O 34a_100016283227_100000709159 [0,1,0,1,0,0|0,0,2]=4 3176 B13R1.654 CC/C=C\CCNC1CCNC1=O 2230a_100016995588_100015370543 [0,1,0,1,0,0|2,0,0]=4 3177 B13R1.654 CC/C=C\CCNC1CCNC1=O 34a_100016995588_100015370543 [0,1,0,1,0,0|2,0,0]=4 3178 B13R1.654 CC/C=C\CCOC1CCCC1=O 34a_100016288707_100000709159 [0,1,0,1,0,0|0,0,0]=2 3179 B13R1.654 CC/C=C\CCOC1CCCC1=O 34a_200000719330_100015370543 [0,1,0,1,0,0|0,0,0]=2 3180 B13R1.654 CC/C=C\CCOC1CCCC1=O 7a_100016288707_100000211823 [0,1,0,1,0,0|0,0,0]=2 3181 B13R1.654 CC/C=C\CCOC1CCCC1C 34a_100011216460_100015370543 [0,1,0,1,0,0|1,0,1]=4 3182 B13R1.654 CC/C=C\CCOC1CCCC1C 7a_100011216460_100015370543 [0,1,0,1,0,0|1,0,1]=4 3183 B13R1.654 CC/C=C\CCOC1CCOC1=O 34a_100016288707_100000211211 [0,1,0,1,0,0|1,0,0]=3 3184 B13R1.654 CC/C=C\CCOC1CCOC1=O 7a_100016288707_100000211211 [0,1,0,1,0,0|1,0,0]=3 3185 B13R1.654 CC/C=C\CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100015370543 [0,1,0,1,0,0|1,0,1]=4 3186 B13R1.654 CC/C=C\CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100015370543 [0,1,0,1,0,0|1,0,1]=4 3187 B13R1.654 CC/C=C\CCO[C@H]1CCNC1=O 34a_100000688343_100015370543 [0,1,0,1,0,0|1,0,0]=3 3188 B13R1.654 CC/C=C\CCSC1CCCC1=O 62a_100000211823_100015370543 [0,1,0,1,0,0|0,1,0]=3 3189 B13R1.654 CC/C=C\CCSC1CCCC1=O 62a_100015370543_100000211823 [0,1,0,1,0,0|0,1,0]=3 3190 B13R1.654 CC/C=C\CCSC1CCOC1=O 62a_100000211211_100015370543 [0,1,0,1,0,0|1,1,0]=4 3191 B13R1.654 CC/C=C\CCSC1CCOC1=O 62a_100015370543_100000211211 [0,1,0,1,0,0|1,1,0]=4 3192 B13R1.654 CC/C=C\COCC1=CCCC1=O 34a_100000087531_100103147603 [0,1,0,1,0,0|1,0,1]=4 3193 B13R1.654 CC/C=C\COCC1CCNC1=O 34a_100000133458_100103147603 [0,1,0,1,0,0|2,0,0]=4 3194 B13R1.654 CC/C=C\CSCN1CCCC1=O 62a_100000026320_100103147603 [0,1,0,1,0,0|1,0,0]=3 3195 B13R1.654 CC/C=C\CSCN1CCCC1=O 62a_100103147603_100000026320 [0,1,0,1,0,0|1,0,0]=3 3196 B13R1.654 CC=C=CCCOC1CCCC1=O 34a_100011020354_100000709159 [0,1,0,1,0,0|0,0,2]=4 3197 B13R1.654 CC=CCCCOC1CCCC1=O 34a_100020645299_100000709159 [0,1,0,1,0,0|0,0,2]=4 3198 B13R1.654 CCC#CCCOC1CCCC1=O 34a_100000036655_100000709159 [0,1,0,1,0,0|0,0,2]=4 3199 B13R1.654 CCC#CCCOC1CCCC1=O 7a_100000036655_100000211823 [0,1,0,1,0,0|0,0,2]=4 3200 B13R1.654 CCC/C=C/COC1CCCC1=O 34a_100016278788_100000709159 [0,1,0,1,0,0|0,0,2]=4 3201 B13R1.654 CCC/C=C/COC1CCCC1=O 7a_100016278788_100000211823 [0,1,0,1,0,0|0,0,2]=4 3202 B13R1.654 CCCCCCOC1CCCC1=O 34a_100000210259_100000709159 [0,1,0,1,0,0|0,0,2]=4 3203 B13R1.654 CCCCCCOC1CCCC1=O 34a_200000719330_100000210314 [0,1,0,1,0,0|0,0,2]=4 3204 B13R1.654 CCCCCCOC1CCCC1=O 7a_100000210259_100000211823 [0,1,0,1,0,0|0,0,2]=4 3205 B13R1.654 CCCOCCOC1CCCC1=O 34a_100000752267_100000709159 [0,1,0,1,0,0|1,0,1]=4 3206 B13R1.654 CCCOCCOC1CCCC1=O 34a_200000719330_100011215938 [0,1,0,1,0,0|1,0,1]=4 3207 B13R1.654 CCCOCCOC1CCCC1=O 7a_100000752267_100000211823 [0,1,0,1,0,0|1,0,1]=4 3208 B13R1.654 CCCSCCOC1CCCC1=O 34a_200000230433_100000709159 [0,1,0,1,0,0|1,0,1]=4 3209 B13R1.654 CCCSCCOC1CCCC1=O 7a_200000230433_100000211823 [0,1,0,1,0,0|1,0,1]=4 3210 B13R1.654 CCOCCCOC1CCCC1=O 34a_100000757476_100000709159 [0,1,0,1,0,0|1,0,1]=4 3211 B13R1.654 CCOCCCOC1CCCC1=O 34a_200000719330_100012232248 [0,1,0,1,0,0|1,0,1]=4 3212 B13R1.654 CCOCCCOC1CCCC1=O 7a_100000757476_100000211823 [0,1,0,1,0,0|1,0,1]=4 3213 B13R1.654 CCSCCCOC1CCCC1=O 34a_100011216438_100000709159 [0,1,0,1,0,0|1,0,1]=4 3214 B13R1.654 CCSCCCOC1CCCC1=O 7a_100011216438_100000211823 [0,1,0,1,0,0|1,0,1]=4 3215 B13R1.657 CC/C=C/Cc1nc(no1)CCC 270196a_100011193412_100016274230 [0,1,0,1,0,0|1,0,1]=4 3216 B13R1.1149 CC/C=C\CN1CCNC(=O)CC1 2230a_100000698595_100103147603 [0,1,0,1,0,0|2,0,0]=4 3217 B13R1.1149 CC/C=C\CN1CCNC(=O)CC1 269982a_100000698595_100103147603 [0,1,0,1,0,0|2,0,0]=4 3218 B13R1.1464 CCCC(=O)C1CC/C=C\CCC1 1458a_100000211992_100021000466 [0,1,0,1,0,0|1,0,0]=3 3219 B13R1.1464 COCC(=O)C1CC/C=C\CCC1 1458a_100000210968_100021000466 [0,1,0,1,0,0|2,0,0]=4 3220 B13R1.1464 CSCC(=O)C1CC/C=C\CCC1 1458a_100000184570_100021000466 [0,1,0,1,0,0|2,0,0]=4 3221 B13R1.1464 O=C(CCO)C1CC/C=C\CCC1 1458a_100011216618_100021000466 [0,1,0,1,0,0|2,0,0]=4 3222 B13R1.3151 C/C=C/C=C/COCC(=O)C1CC1 34a_100016283227_100000746382 [0,1,0,1,0,0|0,0,2]=4 3223 B13R1.3151 C/C=C/CCOCOC(=O)C1CC1 34a_100016278192_100000140896 [0,1,0,1,0,0|0,0,2]=4 3224 B13R1.3151 CC/C=C\CCOCC(=O)C1CC1 34a_100000686663_100015370543 [0,1,0,1,0,0|0,0,0]=2 3225 B13R1.3151 CC/C=C\CCOCC(=O)C1CC1 34a_100016288707_100000746382 [0,1,0,1,0,0|0,0,0]=2 3226 B13R1.3151 CC/C=C\CCOCC(=O)C1CC1 7a_100016288707_100000746382 [0,1,0,1,0,0|0,0,0]=2 3227 B13R1.3151 CC/C=C\CCOC[C@H](N)C1CC1 34a_100020623730_100015370543 [0,1,0,1,0,0|1,0,1]=4 3228 B13R1.3151 CC/C=C\CCSCC(=O)C1CC1 62a_100000746382_100015370543 [0,1,0,1,0,0|0,1,0]=3 3229 B13R1.3151 CC/C=C\CCSCC(=O)C1CC1 62a_100015370543_100000746382 [0,1,0,1,0,0|0,1,0]=3 3230 B13R1.3151 CC/C=C\COCOC(=O)C1CC1 34a_100016268518_100000140896 [0,1,0,1,0,0|0,0,0]=2 3231 B13R1.3151 CC/C=C\CSCOC(=O)C1CC1 62a_100000140896_100103147603 [0,1,0,1,0,0|0,0,0]=2 3232 B13R1.3151 CC/C=C\CSCOC(=O)C1CC1 62a_100103147603_100000140896 [0,1,0,1,0,0|0,0,0]=2 3233 B13R1.3151 CC=C=CCCOCC(=O)C1CC1 34a_100011020354_100000746382 [0,1,0,1,0,0|0,0,2]=4 3234 B13R1.3151 CC=CCCCOCC(=O)C1CC1 34a_100020645299_100000746382 [0,1,0,1,0,0|0,0,2]=4 3235 B13R1.3151 CCC#CCCOCC(=O)C1CC1 34a_100000036655_100000746382 [0,1,0,1,0,0|0,0,2]=4 3236 B13R1.3151 CCC#CCCOCC(=O)C1CC1 7a_100000036655_100000746382 [0,1,0,1,0,0|0,0,2]=4 3237 B13R1.3151 CCC#CCOCOC(=O)C1CC1 34a_100000032950_100000140896 [0,1,0,1,0,0|0,0,2]=4 3238 B13R1.3151 CCC#CCSCOC(=O)C1CC1 62a_100000140896_100009813939 [0,1,0,1,0,0|0,0,2]=4 3239 B13R1.3151 CCC#CCSCOC(=O)C1CC1 62a_100009813939_100000140896 [0,1,0,1,0,0|0,0,2]=4 3240 B13R1.3151 CCC/C=C/COCC(=O)C1CC1 34a_100016278788_100000746382 [0,1,0,1,0,0|0,0,2]=4 3241 B13R1.3151 CCC/C=C/COCC(=O)C1CC1 7a_100016278788_100000746382 [0,1,0,1,0,0|0,0,2]=4 3242 B13R1.3151 CCCCCCOCC(=O)C1CC1 34a_100000210259_100000746382 [0,1,0,1,0,0|0,0,2]=4 3243 B13R1.3151 CCCCCCOCC(=O)C1CC1 34a_100000686663_100000210314 [0,1,0,1,0,0|0,0,2]=4 3244 B13R1.3151 CCCCCCOCC(=O)C1CC1 7a_100000210259_100000746382 [0,1,0,1,0,0|0,0,2]=4 3245 B13R1.3151 CCCCCNCOC(=O)C1CC1 2230a_100000209983_100000140896 [0,1,0,1,0,0|0,0,2]=4 3246 B13R1.3151 CCCCCOCOC(=O)C1CC1 34a_100000210253_100000140896 [0,1,0,1,0,0|0,0,2]=4 3247 B13R1.3151 CCCCCSCOC(=O)C1CC1 62a_100000140896_100000210326 [0,1,0,1,0,0|0,0,2]=4 3248 B13R1.3151 CCCCCSCOC(=O)C1CC1 62a_100000210326_100000140896 [0,1,0,1,0,0|0,0,2]=4 3249 B13R1.3151 CCCOCCOCC(=O)C1CC1 34a_100000686663_100011215938 [0,1,0,1,0,0|1,0,1]=4 3250 B13R1.3151 CCCOCCOCC(=O)C1CC1 34a_100000752267_100000746382 [0,1,0,1,0,0|1,0,1]=4 3251 B13R1.3151 CCCOCCOCC(=O)C1CC1 7a_100000752267_100000746382 [0,1,0,1,0,0|1,0,1]=4 3252 B13R1.3151 CCCSCCOCC(=O)C1CC1 34a_200000230433_100000746382 [0,1,0,1,0,0|1,0,1]=4 3253 B13R1.3151 CCCSCCOCC(=O)C1CC1 7a_200000230433_100000746382 [0,1,0,1,0,0|1,0,1]=4 3254 B13R1.3151 CCOCCCOCC(=O)C1CC1 34a_100000686663_100012232248 [0,1,0,1,0,0|1,0,1]=4 3255 B13R1.3151 CCOCCCOCC(=O)C1CC1 34a_100000757476_100000746382 [0,1,0,1,0,0|1,0,1]=4 3256 B13R1.3151 CCOCCCOCC(=O)C1CC1 7a_100000757476_100000746382 [0,1,0,1,0,0|1,0,1]=4 3257 B13R1.3151 CCOCCNCOC(=O)C1CC1 2230a_102516460346_100000140896 [0,1,0,1,0,0|1,0,1]=4 3258 B13R1.3151 CCOCCNCOC(=O)C1CC1 34a_102516460346_100000140896 [0,1,0,1,0,0|1,0,1]=4 3259 B13R1.3151 CCOCCOCOC(=O)C1CC1 34a_100000210136_100000140896 [0,1,0,1,0,0|1,0,1]=4 3260 B13R1.3151 CCOCCSCOC(=O)C1CC1 62a_100000140896_100011215890 [0,1,0,1,0,0|1,0,1]=4 3261 B13R1.3151 CCOCCSCOC(=O)C1CC1 62a_100000210147_100000140896 [0,1,0,1,0,0|1,0,1]=4 3262 B13R1.3151 CCSCCCOCC(=O)C1CC1 34a_100011216438_100000746382 [0,1,0,1,0,0|1,0,1]=4 3263 B13R1.3151 CCSCCCOCC(=O)C1CC1 7a_100011216438_100000746382 [0,1,0,1,0,0|1,0,1]=4 3264 B13R1.3151 CCSCCNCOC(=O)C1CC1 2230a_100000106463_100000140896 [0,1,0,1,0,0|1,0,1]=4 3265 B13R1.3151 CCSCCOCOC(=O)C1CC1 34a_100000212035_100000140896 [0,1,0,1,0,0|1,0,1]=4 3266 B13R1.3151 CCSCCSCOC(=O)C1CC1 62a_100000140896_100000757381 [0,1,0,1,0,0|1,0,1]=4 3267 B13R1.3151 CCSCCSCOC(=O)C1CC1 62a_100000757381_100000140896 [0,1,0,1,0,0|1,0,1]=4 3268 B13R1.3673 CC/C=C\CCOCC1(CCC1)C 34a_100016288707_100000726658 [0,1,0,1,0,0|1,0,1]=4 3269 B13R1.3673 CC/C=C\CCOCC1(CCC1)C 7a_100016288707_100000726658 [0,1,0,1,0,0|1,0,1]=4 3270 B13R1.27 CC/C=C\CCOC1CCC(C1)C 34a_100000698185_100015370543 [0,1,0,1,0,0|1,0,1]=4 3271 B13R1.27 CC/C=C\CCOC1CCN(C1)C 7a_100016288707_200012183744 [0,1,0,1,0,0|1,0,1]=4 3272 B13R1.348 CC(C)CC(C)OC1CC=CCC1 34a_100000073881_100000731052 [0,1,0,1,0,0|1,0,1]=4 3273 B13R1.3574 CC/C=C\CNCC(=O)NC1CC1 2230a_100000702991_100103147603 [0,1,0,1,0,0|2,0,0]=4 3274 B13R1.3574 CC/C=C\COCC(=O)NC1CC1 34a_100016268518_100000182950 [0,1,0,1,0,0|2,0,0]=4 3275 B13R1.3574 CC/C=C\CSCC(=O)NC1CC1 62a_100000182950_100103147603 [0,1,0,1,0,0|2,0,0]=4 3276 B13R1.3574 CC/C=C\CSCC(=O)NC1CC1 62a_100103147603_100000182950 [0,1,0,1,0,0|2,0,0]=4 3277 B13R1.7456 C=C(C)CC(=O)C1CCC=CCC1 1458a_100000048548_100000748629 [0,1,0,1,0,0|1,0,1]=4 3278 B13R1.7456 CC(C)CC(=O)C1CCC=CCC1 1458a_100000048548_100000210624 [0,1,0,1,0,0|1,0,0]=3 3279 B13R1.7456 CC(C)NC(=O)C1CCC=CCC1 11a_100138425928_100000048548 [0,1,0,1,0,0|2,0,0]=4 3280 B13R1.7456 CC(C)NC(=O)C1CCC=CCC1 1626a_100138425928_100000048548 [0,1,0,1,0,0|2,0,0]=4 3281 B13R1.7456 CC(C)NC(=O)C1CCC=CCC1 240690a_100138425928_100000048548 [0,1,0,1,0,0|2,0,0]=4 3282 B13R1.7456 CC(C)NC(=O)C1CCC=CCC1 527a_100138425928_100000048548 [0,1,0,1,0,0|2,0,0]=4 3283 B13R1.7456 CC(O)CC(=O)C1CCC=CCC1 1458a_100000048548_100011218427 [0,1,0,1,0,0|1,0,0]=3 3284 B13R1.7456 O=C(CC(F)F)C1CCC=CCC1 1458a_100000048548_100011934356 [0,1,0,1,0,0|2,0,0]=4 3285 B13R1.2620 CCC(C)C(=O)C1CCC=CCC1 1458a_100000048548_100000758301 [0,1,0,1,0,0|1,0,0]=3 3286 B13R1.2620 CCN(C)C(=O)C1CCC=CCC1 11a_100000225621_100000048548 [0,1,0,1,0,0|2,0,0]=4 3287 B13R1.2620 CCN(C)C(=O)C1CCC=CCC1 1626a_100000225621_100000048548 [0,1,0,1,0,0|2,0,0]=4 3288 B13R1.2620 CCN(C)C(=O)C1CCC=CCC1 240690a_100000225621_100000048548 [0,1,0,1,0,0|2,0,0]=4 3289 B13R1.2620 CCN(C)C(=O)C1CCC=CCC1 527a_100000225621_100000048548 [0,1,0,1,0,0|2,0,0]=4 3290 B13R1.3572 CC/C=C\CCOC(C)C1CCC1 34a_100000766398_100015370543 [0,1,0,1,0,0|1,0,1]=4 3291 B13R1.3572 CC/C=C\CCOC(C)C1CCC1 7a_100000766398_100015370543 [0,1,0,1,0,0|1,0,1]=4 3292 B13R1.3572 CC/C=C\COCC(=O)C1CCC1 34a_100016268518_100000686122 [0,1,0,1,0,0|2,0,0]=4 3293 B13R1.3572 CC/C=C\COCC(=O)N1CCC1 34a_100016268518_100000185095 [0,1,0,1,0,0|2,0,0]=4 3294 B13R1.3572 CC/C=C\CSCC(=O)C1CCC1 62a_100000686122_100103147603 [0,1,0,1,0,0|2,0,0]=4 3295 B13R1.3572 CC/C=C\CSCC(=O)C1CCC1 62a_100103147603_100000686122 [0,1,0,1,0,0|2,0,0]=4 3296 B13R1.3572 CC/C=C\CSCC(=O)N1CCC1 62a_100000185095_100103147603 [0,1,0,1,0,0|2,0,0]=4 3297 B13R1.3572 CC/C=C\CSCC(=O)N1CCC1 62a_100103147603_100000185095 [0,1,0,1,0,0|2,0,0]=4 3298 B13R1.41 CCCC(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100000211992 [0,1,0,1,0,0|2,0,0]=4 3299 B13R1.41 CCCC(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100000211992 [0,1,0,1,0,0|2,0,0]=4 3300 B13R1.41 CCCC(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100000211992 [0,1,0,1,0,0|2,0,0]=4 3301 B13R1.41 CCCC(=O)NC[C@H]1CCC(=O)N1 527a_100015423886_100000211992 [0,1,0,1,0,0|2,0,0]=4 3302 B13R1.41 CCCC(C)OC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000766640 [0,1,0,1,0,0|1,0,1]=4 3303 B13R1.1309 CCC=CC(=O)COC(=O)C1CC1 1458a_100000212282_100000140896 [0,1,0,1,0,0|0,0,1]=3 3304 B13R1.1309 COC=CC(=O)COC(=O)C1CC1 1458a_100016268678_100000140896 [0,1,0,1,0,0|1,0,1]=4 3305 B13R1.48 CC/C=C\CCC(=O)C1=CCCC1 1458a_100000038896_100015370543 [0,1,0,1,0,0|2,0,0]=4 3306 B13R1.555 CC/C=C\CNC1CCCNC1=O 2230a_100000747585_100103147603 [0,1,0,1,0,0|2,0,0]=4 3307 B13R1.555 CC/C=C\CNC1CCCNC1=O 34a_100000747585_100103147603 [0,1,0,1,0,0|2,0,0]=4 3308 B13R1.555 CC/C=C\COC1CCCCC1=O 34a_100011214950_100103147603 [0,1,0,1,0,0|2,0,0]=4 3309 B13R1.555 CC/C=C\COC1CCCCC1=O 34a_100016268518_100000754470 [0,1,0,1,0,0|2,0,0]=4 3310 B13R1.555 CC/C=C\COC1CCCNC1=O 34a_100000073722_100103147603 [0,1,0,1,0,0|2,0,0]=4 3311 B13R1.555 CC/C=C\COC1CCCNC1=O 34a_100016268518_100000687798 [0,1,0,1,0,0|2,0,0]=4 3312 B13R1.555 CC/C=C\COC1COCCC1=O 34a_100016268518_100012180262 [0,1,0,1,0,0|2,0,0]=4 3313 B13R1.555 CC/C=C\CSC1CCCCC1=O 62a_100000204591_100103147603 [0,1,0,1,0,0|2,0,0]=4 3314 B13R1.555 CC/C=C\CSC1CCCCC1=O 62a_100103147603_100000204591 [0,1,0,1,0,0|2,0,0]=4 3315 B13R1.555 CC/C=C\CSC1CCCNC1=O 62a_100000687798_100103147603 [0,1,0,1,0,0|2,0,0]=4 3316 B13R1.555 CC/C=C\CSC1CCCNC1=O 62a_100103147603_100000687798 [0,1,0,1,0,0|2,0,0]=4 3317 B13R1.555 CC/C=C\CSC1COCCC1=O 62a_100012180262_100103147603 [0,1,0,1,0,0|2,0,0]=4 3318 B13R1.555 CC/C=C\CSC1COCCC1=O 62a_100103147603_100012180262 [0,1,0,1,0,0|2,0,0]=4 3319 B13R1.28 CC/C=C\CCOC1C=CCCC1 34a_100011215024_100015370543 [0,1,0,1,0,0|1,0,1]=4 3320 B13R1.28 CC/C=C\CCOC1C=CCCC1 7a_100016288707_100000751183 [0,1,0,1,0,0|1,0,1]=4 3321 B13R1.28 CC/C=C\CCOC1CCCCC1 34a_100000210231_100015370543 [0,1,0,1,0,0|1,0,1]=4 3322 B13R1.28 CC/C=C\CCOC1CCCCC1 34a_100016288707_100000210327 [0,1,0,1,0,0|1,0,1]=4 3323 B13R1.28 CC/C=C\CCOC1CCCCC1 7a_100000210231_100015370543 [0,1,0,1,0,0|1,0,1]=4 3324 B13R1.28 CC/C=C\CCOC1CCCCC1 7a_100016288707_100000210327 [0,1,0,1,0,0|1,0,1]=4 3325 B13R1.28 CC/C=C\CCOC1CCCCO1 34a_100000033831_100015370543 [0,1,0,1,0,0|0,0,2]=4 3326 B13R1.28 CC/C=C\CCOC1CCCOC1 34a_100000754041_100015370543 [0,1,0,1,0,0|0,0,2]=4 3327 B13R1.28 CC/C=C\CCOC1CCCOC1 34a_100016288707_100000693364 [0,1,0,1,0,0|0,0,2]=4 3328 B13R1.28 CC/C=C\CCOC1CCCOC1 7a_100016288707_100000693364 [0,1,0,1,0,0|0,0,2]=4 3329 B13R1.28 CC/C=C\CCOC1CCCSC1 7a_100015962668_100015370543 [0,1,0,1,0,0|0,1,1]=4 3330 B13R1.28 CC/C=C\CCOC1CCOCC1 34a_100000744328_100015370543 [0,1,0,1,0,0|1,0,1]=4 3331 B13R1.28 CC/C=C\CCOC1CCOCC1 7a_100016288707_100000686592 [0,1,0,1,0,0|1,0,1]=4 3332 B13R1.28 CC/C=C\CCOC1CCSCC1 34a_100000731022_100015370543 [0,1,0,1,0,0|1,0,1]=4 3333 B13R1.28 CC/C=C\CCOC1CCSCC1 34a_100016288707_100000069128 [0,1,0,1,0,0|1,0,1]=4 3334 B13R1.28 CC/C=C\CCOC1CCSCC1 7a_100000731022_100015370543 [0,1,0,1,0,0|1,0,1]=4 3335 B13R1.28 CC/C=C\CCOC1CCSCC1 7a_100016288707_100011500858 [0,1,0,1,0,0|1,0,1]=4 3336 B13R1.1138 CC/C=C\CCOC(CC)C1CC1 34a_100011351122_100015370543 [0,1,0,1,0,0|1,0,1]=4 3337 B13R1.1138 CC/C=C\CCOC(CC)C1CC1 7a_100011351122_100015370543 [0,1,0,1,0,0|1,0,1]=4 3338 B13R1.1138 CC/C=C\CCOC(CN)C1CC1 34a_100000751198_100015370543 [0,1,0,1,0,0|1,0,1]=4 3339 B13R1.44 CCCCC(C)OC1CC=CCC1 34a_100000073881_200011215066 [0,1,0,1,0,0|1,0,1]=4 3340 B13R1.44 CCCNC(=O)CN1CC=CCC1 2230a_100000698166_100000183358 [0,1,0,1,0,0|2,0,0]=4 3341 B13R1.44 CCCNC(=O)CN1CC=CCC1 269982a_100000698166_100000183358 [0,1,0,1,0,0|2,0,0]=4 3342 B13R1.44 CCCNC(=O)CN1CC=CCC1 34a_100000698166_100000183358 [0,1,0,1,0,0|2,0,0]=4 3343 B13R1.44 CCCOC(=O)CN1CC=CCC1 2230a_100000698166_200011215008 [0,1,0,1,0,0|2,0,0]=4 3344 B13R1.44 CCCOC(=O)CN1CC=CCC1 269982a_100000698166_200011215008 [0,1,0,1,0,0|2,0,0]=4 3345 B13R1.44 CCCOC(=O)CN1CC=CCC1 34a_100000698166_200011215008 [0,1,0,1,0,0|2,0,0]=4 3346 B13R1.44 CCNCC(=O)OC1CCCCC1 2230a_100015525214_100000041653 [0,1,0,1,0,0|0,0,2]=4 3347 B13R1.44 CCOCC(=O)OC1CCCCC1 34a_100121572206_100000041653 [0,1,0,1,0,0|0,0,2]=4 3348 B13R1.44 CCSCC(=O)OC1CCCCC1 62a_100000041653_100000210202 [0,1,0,1,0,0|0,0,2]=4 3349 B13R1.44 CCSCC(=O)OC1CCCCC1 62a_100000210202_100000041653 [0,1,0,1,0,0|0,0,2]=4 3350 B13R1.1148 CC/C=C\CN1CCCNC(=O)C1 2230a_100015190381_100103147603 [0,1,0,1,0,0|2,0,0]=4 3351 B13R1.2436 CC/C=C\CCOC1(CCCC1)C 34a_100000751722_100015370543 [0,1,0,1,0,0|1,0,1]=4 3352 B13R1.2436 CC/C=C\CCOC1(CCCC1)C 7a_100000751722_100015370543 [0,1,0,1,0,0|1,0,1]=4 3353 B13R1.2488 C#CCCC(=O)C1CCC=CCC1 1458a_100000048548_100000753159 [0,1,0,1,0,0|1,0,1]=4 3354 B13R1.2488 C/C=C/CC(=O)C1CCC=CCC1 1458a_100000048548_100102629194 [0,1,0,1,0,0|1,0,1]=4 3355 B13R1.2488 C=CCCC(=O)C1CCC=CCC1 1458a_100000048548_100000754431 [0,1,0,1,0,0|1,0,1]=4 3356 B13R1.2488 CC#CCC(=O)C1CCC=CCC1 1458a_100000048548_100000748600 [0,1,0,1,0,0|1,0,1]=4 3357 B13R1.2488 CC=CCC(=O)C1CCC=CCC1 1458a_100000048548_100000070051 [0,1,0,1,0,0|1,0,1]=4 3358 B13R1.2488 CCCCC(=O)C1CCC=CCC1 1458a_100000048548_100000210211 [0,1,0,1,0,0|1,0,0]=3 3359 B13R1.2488 CCCNC(=O)C1CCC=CCC1 11a_100020643023_100000048548 [0,1,0,1,0,0|1,0,0]=3 3360 B13R1.2488 CCCNC(=O)C1CCC=CCC1 1626a_100020643023_100000048548 [0,1,0,1,0,0|1,0,0]=3 3361 B13R1.2488 CCCNC(=O)C1CCC=CCC1 240690a_100020643023_100000048548 [0,1,0,1,0,0|1,0,0]=3 3362 B13R1.2488 CCCNC(=O)C1CCC=CCC1 527a_100020643023_100000048548 [0,1,0,1,0,0|1,0,0]=3 3363 B13R1.2488 CCNNC(=O)C1CCC=CCC1 22a_100000756455_100000048548 [0,1,0,1,0,0|2,0,0]=4 3364 B13R1.2488 COCCC(=O)C1CCC=CCC1 1458a_100000048548_100000233755 [0,1,0,1,0,0|1,0,0]=3 3365 B13R1.2488 CSCCC(=O)C1CCC=CCC1 1458a_100000048548_100000751147 [0,1,0,1,0,0|1,0,0]=3 3366 B13R1.2488 N#CCCC(=O)C1CCC=CCC1 1458a_100000048548_100011215226 [0,1,0,1,0,0|1,0,1]=4 3367 B13R1.2488 O=C(CCCF)C1CCC=CCC1 1458a_100000048548_100011934791 [0,1,0,1,0,0|1,0,0]=3 3368 B13R1.2488 O=C(CCCO)C1CCC=CCC1 1458a_100000048548_100011215043 [0,1,0,1,0,0|1,0,0]=3 3369 B13R1.2488 O=C(NCCF)C1CCC=CCC1 11a_100000724931_100000048548 [0,1,0,1,0,0|2,0,0]=4 3370 B13R1.2488 O=C(NCCF)C1CCC=CCC1 1626a_100000724931_100000048548 [0,1,0,1,0,0|2,0,0]=4 3371 B13R1.2488 O=C(NCCF)C1CCC=CCC1 240690a_100000724931_100000048548 [0,1,0,1,0,0|2,0,0]=4 3372 B13R1.2488 O=C(NCCF)C1CCC=CCC1 527a_100000724931_100000048548 [0,1,0,1,0,0|2,0,0]=4 3373 B13R1.2488 O=C(NCCO)C1CCC=CCC1 240690a_100000210304_100000048548 [0,1,0,1,0,0|2,0,0]=4 3374 B13R1.2488 O=C(NCCO)C1CCC=CCC1 527a_100000210304_100000048548 [0,1,0,1,0,0|2,0,0]=4 3375 B13R1.20 CCCC(=O)CN1CCC=C(C1)C 2230a_100000725631_100000747444 [0,1,0,1,0,0|2,0,0]=4 3376 B13R1.20 CCCC(=O)CN1CCC=C(C1)C 269982a_100000725631_100000747444 [0,1,0,1,0,0|2,0,0]=4 3377 B13R1.20 CCCC(=O)NC1CCNC(=O)C1 11a_100016994916_100000211992 [0,1,0,1,0,0|2,0,0]=4 3378 B13R1.20 CCCC(=O)NC1CCNC(=O)C1 1626a_100016994916_100000211992 [0,1,0,1,0,0|2,0,0]=4 3379 B13R1.20 CCCC(=O)NC1CCNC(=O)C1 240690a_100016994916_100000211992 [0,1,0,1,0,0|2,0,0]=4 3380 B13R1.20 CCCC(=O)NC1CCNC(=O)C1 527a_100016994916_100000211992 [0,1,0,1,0,0|2,0,0]=4 3381 B13R1.725 CC/C=C/CC(=O)C1CCCC1=O 1458a_100016274230_100000211823 [0,1,0,1,0,0|1,0,1]=4 3382 B13R1.2969 CC/C=C/CC(=O)CC(=O)C1CC1 1458a_100016274230_100000746382 [0,1,0,1,0,0|1,0,1]=4 3383 B13R1.12 CCCC(=O)N1CCNC(=O)C1C 11a_100000750721_100000211992 [0,1,0,1,0,0|2,0,0]=4 3384 B13R1.12 CCCC(=O)N1CCNC(=O)C1C 1626a_100000750721_100000211992 [0,1,0,1,0,0|2,0,0]=4 3385 B13R1.12 CCCC(=O)N1CCNC(=O)C1C 240690a_100000750721_100000211992 [0,1,0,1,0,0|2,0,0]=4 3386 B13R1.12 CCCC(=O)N1CCNC(=O)C1C 527a_100000750721_100000211992 [0,1,0,1,0,0|2,0,0]=4 3387 B13R1.19 CCCC(=O)CN1CC=C(CC1)C 2230a_100000693516_100000747444 [0,1,0,1,0,0|2,0,0]=4 3388 B13R1.19 CCCC(=O)CN1CC=C(CC1)C 269982a_100000693516_100000747444 [0,1,0,1,0,0|2,0,0]=4 3389 B13R1.19 CCCC(=O)NC1CCC(=O)NC1 11a_100000748762_100000211992 [0,1,0,1,0,0|2,0,0]=4 3390 B13R1.19 CCCC(=O)NC1CCC(=O)NC1 1626a_100000748762_100000211992 [0,1,0,1,0,0|2,0,0]=4 3391 B13R1.19 CCCC(=O)NC1CCC(=O)NC1 240690a_100000748762_100000211992 [0,1,0,1,0,0|2,0,0]=4 3392 B13R1.19 CCCC(=O)NC1CCC(=O)NC1 527a_100000748762_100000211992 [0,1,0,1,0,0|2,0,0]=4 3393 B13R1.107 CCC(=O)N1CCNC(=O)C1CC 11a_100000187962_100000210414 [0,1,0,1,0,0|2,0,0]=4 3394 B13R1.107 CCC(=O)N1CCNC(=O)C1CC 1626a_100000187962_100000210414 [0,1,0,1,0,0|2,0,0]=4 3395 B13R1.107 CCC(=O)N1CCNC(=O)C1CC 240690a_100000187962_100000210414 [0,1,0,1,0,0|2,0,0]=4 3396 B13R1.107 CCC(=O)N1CCNC(=O)C1CC 527a_100000187962_100000210414 [0,1,0,1,0,0|2,0,0]=4 3397 B13R1.599 CCC(=O)NCCN1CCCC1=O 11a_100011200922_100000210414 [0,1,0,1,0,0|2,0,0]=4 3398 B13R1.599 CCC(=O)NCCN1CCCC1=O 1626a_100011200922_100000210414 [0,1,0,1,0,0|2,0,0]=4 3399 B13R1.599 CCC(=O)NCCN1CCCC1=O 240690a_100011200922_100000210414 [0,1,0,1,0,0|2,0,0]=4 3400 B13R1.599 CCC(=O)NCCN1CCCC1=O 527a_100011200922_100000210414 [0,1,0,1,0,0|2,0,0]=4 3401 B13R1.1463 CCCC(=O)N1CCNC(=O)CC1 11a_100000698595_100000211992 [0,1,0,1,0,0|2,0,0]=4 3402 B13R1.1463 CCCC(=O)N1CCNC(=O)CC1 1626a_100000698595_100000211992 [0,1,0,1,0,0|2,0,0]=4 3403 B13R1.1463 CCCC(=O)N1CCNC(=O)CC1 240690a_100000698595_100000211992 [0,1,0,1,0,0|2,0,0]=4 3404 B13R1.1463 CCCC(=O)N1CCNC(=O)CC1 527a_100000698595_100000211992 [0,1,0,1,0,0|2,0,0]=4 3405 B13R1.1734 CCC(=O)CCCNC(=O)C1CC1 1458a_100000194788_100000210202 [0,1,0,1,0,0|1,0,1]=4 3406 B13R1.1734 CCC(=O)COCOC(=O)C1CC1 34a_100000725409_100000140896 [0,1,0,1,0,0|1,0,1]=4 3407 B13R1.1734 CCC(=O)CSCOC(=O)C1CC1 62a_100000140896_100000747405 [0,1,0,1,0,0|1,0,1]=4 3408 B13R1.1734 CCC(=O)CSCOC(=O)C1CC1 62a_100000747405_100000140896 [0,1,0,1,0,0|1,0,1]=4 3409 B13R1.1734 CCC(=O)NCCNC(=O)C1CC1 11a_100132302217_100000210395 [0,1,0,1,0,0|2,0,0]=4 3410 B13R1.1734 CCC(=O)NCCNC(=O)C1CC1 1626a_100132302217_100000210395 [0,1,0,1,0,0|2,0,0]=4 3411 B13R1.1734 CCC(=O)NCCNC(=O)C1CC1 240690a_100132302217_100000210395 [0,1,0,1,0,0|2,0,0]=4 3412 B13R1.1734 CCC(=O)NCCNC(=O)C1CC1 527a_100132302217_100000210395 [0,1,0,1,0,0|2,0,0]=4 3413 B13R1.1496 CCNC(=O)CCNC(=O)C1CC1 11a_100025743525_100000210395 [0,1,0,1,0,0|2,0,0]=4 3414 B13R1.1496 CCNC(=O)CCNC(=O)C1CC1 1626a_100025743525_100000210395 [0,1,0,1,0,0|2,0,0]=4 3415 B13R1.1496 CCNC(=O)CCNC(=O)C1CC1 240690a_100025743525_100000210395 [0,1,0,1,0,0|2,0,0]=4 3416 B13R1.1496 CCNC(=O)CCNC(=O)C1CC1 527a_100025743525_100000210395 [0,1,0,1,0,0|2,0,0]=4 3417 B13R1.1496 CCOC(=O)CCCC(=O)C1CC1 1458a_100000210395_100011215271 [0,1,0,1,0,0|2,0,0]=4 3418 B13R1.1496 CCOC(=O)CCNC(=O)C1CC1 188690a_100000746078_100000210395 [0,1,0,1,0,0|2,0,0]=4 3419 B13R1.1515 CCCC(=O)[C@@H]1C[C@H]1C(=O)OCC 1458a_100009818562_100000210303 [0,1,0,1,0,0|2,0,0]=4 3420 B13R2.15 O=C1CCCC1N2CC=CCC2 2230a_100000698166_100000211823 [0,0,0,2,0,0|2,0,0]=4 3421 B13R2.15 O=C1CCCC1N2CC=CCC2 269982a_100000698166_100000211823 [0,0,0,2,0,0|2,0,0]=4 3422 B13R2.15 O=C1CCCC1N2CC=CCC2 34a_100000698166_100000709159 [0,0,0,2,0,0|2,0,0]=4 3423 B13R2.64 C1=CCC(CC1)OC2CCCC2 34a_100000073881_100000179811 [0,0,0,2,0,0|1,0,1]=4 3424 B13R2.444 O=C(CN1CC=CCC1)C2CC2 2230a_100000698166_100000746382 [0,0,0,2,0,0|2,0,0]=4 3425 B13R2.444 O=C(CN1CC=CCC1)C2CC2 269982a_100000698166_100000746382 [0,0,0,2,0,0|2,0,0]=4 3426 B13R2.444 O=C(CN1CC=CCC1)C2CC2 34a_100000698166_100000746382 [0,0,0,2,0,0|2,0,0]=4 3427 B13R2.856 CCCC(=O)C1CC2C=CC1C2 1458a_100000211946_100000210303 [0,0,0,2,0,0|1,0,0]=3 3428 B13R2.856 CCCC(=O)N1CC2C=CC1C2 11a_100000732668_100000211992 [0,0,0,2,0,0|1,0,0]=3 3429 B13R2.856 CCCC(=O)N1CC2C=CC1C2 240690a_100000732668_100000211992 [0,0,0,2,0,0|1,0,0]=3 3430 B13R2.856 CCCC(=O)N1CC2C=CC1C2 527a_100000732668_100000211992 [0,0,0,2,0,0|1,0,0]=3 3431 B13R2.856 CCNC(=O)C1CC2C=CC1C2 11a_100015525214_100000211946 [0,0,0,2,0,0|2,0,0]=4 3432 B13R2.856 CCNC(=O)C1CC2C=CC1C2 240690a_100015525214_100000211946 [0,0,0,2,0,0|2,0,0]=4 3433 B13R2.856 CCNC(=O)C1CC2C=CC1C2 527a_100015525214_100000211946 [0,0,0,2,0,0|2,0,0]=4 3434 B13R2.856 CCNC(=O)N1CC2C=CC1C2 2708a_100015525214_100000732668 [0,0,0,2,0,0|2,0,0]=4 3435 B13R2.856 CCNC(=O)N1CC2C=CC1C2 273464a_100015525214_100000732668 [0,0,0,2,0,0|2,0,0]=4 3436 B13R2.856 COCC(=O)N1CC2C=CC1C2 11a_100000732668_100000210968 [0,0,0,2,0,0|2,0,0]=4 3437 B13R2.856 COCC(=O)N1CC2C=CC1C2 240690a_100000732668_100000210968 [0,0,0,2,0,0|2,0,0]=4 3438 B13R2.856 COCC(=O)N1CC2C=CC1C2 527a_100000732668_100000210968 [0,0,0,2,0,0|2,0,0]=4 3439 B13R2.856 CSCC(=O)N1CC2C=CC1C2 11a_100000732668_100000184570 [0,0,0,2,0,0|2,0,0]=4 3440 B13R2.856 CSCC(=O)N1CC2C=CC1C2 240690a_100000732668_100000184570 [0,0,0,2,0,0|2,0,0]=4 3441 B13R2.856 CSCC(=O)N1CC2C=CC1C2 527a_100000732668_100000184570 [0,0,0,2,0,0|2,0,0]=4 3442 B13R2.856 O=C(CCF)C1CC2C=CC1C2 1458a_100000211946_100011217306 [0,0,0,2,0,0|2,0,0]=4 3443 B13R2.856 O=C(CCO)C1CC2C=CC1C2 1458a_100000211946_100000211926 [0,0,0,2,0,0|2,0,0]=4 3444 B13R2.856 O=C(CCO)N1CC2C=CC1C2 240690a_100000732668_100011216618 [0,0,0,2,0,0|2,0,0]=4