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34a_100138425928_200011218217 [0,0,0,0,0,0|3,0,0]=3 13 B10R0.79 CCCC(CCC)OC(C)C 34a_100000212225_200011218217 [0,0,0,0,0,0|3,0,0]=3 14 B10R0.79 CCCC(CCC)OC(C)C 34a_200011218534_100000210206 [0,0,0,0,0,0|3,0,0]=3 15 B10R0.79 CCCC(CCC)OC(C)C 7a_200011218534_100000210206 [0,0,0,0,0,0|3,0,0]=3 16 B10R0.79 CCCC(CCC)SC(C)C 62a_100000210206_200011218217 [0,0,0,0,0,0|3,0,0]=3 17 B10R0.79 CCCC(CCC)SC(C)C 62a_200011218217_100000210206 [0,0,0,0,0,0|3,0,0]=3 18 B10R0.79 CCCN(CCC)CC(C)C 2230a_100000210455_100000210760 [0,0,0,0,0,0|3,0,0]=3 19 B10R0.79 CCCN(CCC)CC(C)C 269982a_100000210455_100000210624 [0,0,0,0,0,0|3,0,0]=3 20 B10R0.79 CCCN(CCC)CC(C)C 270004a_100000210455_100000210432 [0,0,0,0,0,0|3,0,0]=3 21 B10R0.79 CCCN(CCC)CC(C)O 2230a_100000210455_100011218427 [0,0,0,0,0,0|4,0,0]=4 22 B10R0.79 CCCN(CCC)CC(C)O 269982a_100000210455_100011218427 [0,0,0,0,0,0|4,0,0]=4 23 B10R0.79 CCCN(CCC)C[C@@H](C)O 2230a_100000210455_100009817552 [0,0,0,0,0,0|4,0,0]=4 24 B10R0.79 CCCN(CCC)C[C@@H](C)O 269982a_100000210455_100009817552 [0,0,0,0,0,0|4,0,0]=4 25 B10R0.79 CCCN(CCO)CC(C)C 2230a_100000211420_100000210760 [0,0,0,0,0,0|4,0,0]=4 26 B10R0.79 CCCN(CCO)CC(C)C 2230a_100015185251_100000210303 [0,0,0,0,0,0|4,0,0]=4 27 B10R0.79 CCCN(CCO)CC(C)C 269982a_100000211420_100000210624 [0,0,0,0,0,0|4,0,0]=4 28 B10R0.79 CCCN(CCO)CC(C)C 269982a_100015185251_100000210303 [0,0,0,0,0,0|4,0,0]=4 29 B10R0.79 CCCN(CCO)CC(C)C 270004a_100000211420_100000210432 [0,0,0,0,0,0|4,0,0]=4 30 B10R0.79 CCC[C@@H](CCO)NC(C)C 2230a_100015193777_100000210206 [0,0,0,0,0,0|4,0,0]=4 31 B10R0.79 CCC[C@@H](CCO)NC(C)C 34a_100015193777_100000210206 [0,0,0,0,0,0|4,0,0]=4 32 B10R0.79 CCN[C@H](CCO)CC(C)C 2230a_100161151251_100000210202 [0,0,0,0,0,0|3,0,0]=3 33 B10R0.79 CCOC(CC(=O)C)OCC 1458a_100000070787_100000210512 [0,0,0,0,0,0|1,0,1]=2 34 B10R0.79 CCOC(CC(=O)C)OCC 1458a_100000082722_200000210301 [0,0,0,0,0,0|1,0,1]=2 35 B10R0.79 CCOC(CC(=O)[13CH3])OCC 1458a_100000082722_200025704644 [0,0,0,0,0,0|1,0,1]=2 36 B10R0.79 CCOC(CN(C)C)OCC 2230a_100102631434_100000210512 [0,0,0,0,0,0|1,0,0]=1 37 B10R0.79 CCOC(CN(C)C)OCC 269982a_100102631434_100000733474 [0,0,0,0,0,0|1,0,0]=1 38 B10R0.79 CCOC(CN(C)C)OCC 269982a_200000227172_200000210301 [0,0,0,0,0,0|1,0,0]=1 39 B10R0.79 CCOC(CN(C)C)OCC 34a_200000227172_200000210301 [0,0,0,0,0,0|1,0,0]=1 40 B10R0.79 CCOC(CN(C)[13CH3])OCC 269982a_200000227172_200025704644 [0,0,0,0,0,0|1,0,0]=1 41 B10R0.79 CCOC(CN(C)[13CH3])OCC 34a_200000227172_200025704644 [0,0,0,0,0,0|1,0,0]=1 42 B9R0.14 C#CC(CC(C)C)OCC 34a_100011215986_100000210202 [1,0,0,0,0,0|0,0,2]=3 43 B9R0.14 C#CC(CC(C)C)OCC 7a_100011215986_100000210202 [1,0,0,0,0,0|0,0,2]=3 44 B9R0.14 C#CC(CC(C)C)OCF 34a_100011215986_100015361967 [1,0,0,0,0,0|1,0,2]=4 45 B9R0.14 C#CC(CC(C)C)OCF 7a_100011215986_100015361967 [1,0,0,0,0,0|1,0,2]=4 46 B9R0.14 C=CC(CC(C)C)OCC 34a_100012186643_100000210202 [1,0,0,0,0,0|0,0,2]=3 47 B9R0.14 C=CC(CC(C)C)OCC 7a_100012186643_100000210202 [1,0,0,0,0,0|0,0,2]=3 48 B9R0.14 C=CC(CC(C)C)OCF 34a_100012186643_100015361967 [1,0,0,0,0,0|1,0,2]=4 49 B9R0.14 C=CC(CC(C)C)OCF 7a_100012186643_100015361967 [1,0,0,0,0,0|1,0,2]=4 50 B9R0.14 CC#CC(CC)OC(C)C 34a_200011219922_100000210206 [1,0,0,0,0,0|2,0,1]=4 51 B9R0.14 CC#CC(CC)OC(C)C 7a_200011219922_100000210206 [1,0,0,0,0,0|2,0,1]=4 52 B9R0.14 CC(C)CC(C#N)OCF 34a_200011294978_100015361967 [1,0,0,0,0,0|2,0,1]=4 53 B9R0.14 CC(C)CC(C#N)OCF 7a_200011294978_100015361967 [1,0,0,0,0,0|2,0,1]=4 54 B9R0.14 CC(C)CC(CN)CO[13CH3] 34a_200000723437_200025704644 [1,0,0,0,0,0|3,0,0]=4 55 B9R0.14 CC(C)CC(CO)CN[13CH3] 34a_200000723437_200025704644 [1,0,0,0,0,0|3,0,0]=4 56 B9R0.14 CC(C)C[C@@H](CCO)N[13CH3] 2230a_100161151251_200025704644 [1,0,0,0,0,0|3,0,0]=4 57 B9R0.14 CC(C)C[C@@H](CO)NCF 34a_100011830311_100015361967 [1,0,0,0,0,0|3,0,0]=4 58 B9R0.14 CC=CC(CC(C)C)OC 34a_100020643927_200000210301 [1,0,0,0,0,0|1,0,1]=3 59 B9R0.14 CC=CC(CC(C)C)OC 7a_100020643927_200000210301 [1,0,0,0,0,0|1,0,1]=3 60 B9R0.14 CC=CC(CC(C)C)O[13CH3] 34a_100020643927_200025704644 [1,0,0,0,0,0|1,0,1]=3 61 B9R0.14 CC=CC(CC(C)C)O[13CH3] 7a_100020643927_200025704644 [1,0,0,0,0,0|1,0,1]=3 62 B9R0.14 CCC(COC)CC(C)C 34a_100012186708_200000210301 [1,0,0,0,0,0|2,0,0]=3 63 B9R0.14 CCC(COC)CC(C)C 7a_100012186708_200000210301 [1,0,0,0,0,0|2,0,0]=3 64 B9R0.14 CCC(COC)NC(C)C 2230a_100000757820_100000210206 [1,0,0,0,0,0|3,0,0]=4 65 B9R0.14 CCC(COC)OC(C)C 7a_200011214946_100000210206 [1,0,0,0,0,0|3,0,0]=4 66 B9R0.14 CCC(CO[13CH3])CC(C)C 34a_100012186708_200025704644 [1,0,0,0,0,0|2,0,0]=3 67 B9R0.14 CCC(CO[13CH3])CC(C)C 7a_100012186708_200025704644 [1,0,0,0,0,0|2,0,0]=3 68 B9R0.14 CCCC(CC(C)C)OC 34a_100011351045_200000210301 [1,0,0,0,0,0|1,0,0]=2 69 B9R0.14 CCCC(CC(C)C)OC 7a_100011351045_200000210301 [1,0,0,0,0,0|1,0,0]=2 70 B9R0.14 CCCC(CC(C)C)O[13CH3] 34a_100011351045_200025704644 [1,0,0,0,0,0|1,0,0]=2 71 B9R0.14 CCCC(CC(C)C)O[13CH3] 7a_100011351045_200025704644 [1,0,0,0,0,0|1,0,0]=2 72 B9R0.14 CCCC(CC)NC(C)C 2230a_100000747048_100000210206 [1,0,0,0,0,0|2,0,0]=3 73 B9R0.14 CCCC(CC)OC(C)C 34a_100000687864_100000210206 [1,0,0,0,0,0|2,0,0]=3 74 B9R0.14 CCCC(CC)OC(C)C 7a_100000687864_100000210206 [1,0,0,0,0,0|2,0,0]=3 75 B9R0.14 CCCC(CC)SC(C)C 62a_100000210206_100011219200 [1,0,0,0,0,0|2,0,0]=3 76 B9R0.14 CCCC(CC)SC(C)C 62a_100011219200_100000210206 [1,0,0,0,0,0|2,0,0]=3 77 B9R0.14 CCCN(CC)CC(C)C 2230a_100000226822_100000210760 [1,0,0,0,0,0|2,0,0]=3 78 B9R0.14 CCCN(CC)CC(C)C 2230a_100000738554_100000210303 [1,0,0,0,0,0|2,0,0]=3 79 B9R0.14 CCCN(CC)CC(C)C 269982a_100000226822_100000210624 [1,0,0,0,0,0|2,0,0]=3 80 B9R0.14 CCCN(CC)CC(C)C 269982a_100000738554_100000210303 [1,0,0,0,0,0|2,0,0]=3 81 B9R0.14 CCCN(CC)CC(C)C 270004a_100000226822_100000210432 [1,0,0,0,0,0|2,0,0]=3 82 B9R0.14 CCCN(CC)CC(C)O 2230a_100000226822_100011218427 [1,0,0,0,0,0|3,0,0]=4 83 B9R0.14 CCCN(CC)CC(C)O 269982a_100000226822_100011218427 [1,0,0,0,0,0|3,0,0]=4 84 B9R0.14 CCCN(CC)C[C@@H](C)O 2230a_100000226822_100009817552 [1,0,0,0,0,0|3,0,0]=4 85 B9R0.14 CCCN(CC)C[C@@H](C)O 269982a_100000226822_100009817552 [1,0,0,0,0,0|3,0,0]=4 86 B9R0.14 CCCN(CC)C[C@H](C)O 2230a_100000729506_100000210303 [1,0,0,0,0,0|3,0,0]=4 87 B9R0.14 CCCN(CC)C[C@H](C)O 269982a_100000729506_100000210303 [1,0,0,0,0,0|3,0,0]=4 88 B9R0.14 CCC[C@@H](CO)NC(C)C 2230a_100000732646_100000210206 [1,0,0,0,0,0|3,0,0]=4 89 B9R0.14 CCC[C@@H](CO)NC(C)C 34a_100000732646_100000210206 [1,0,0,0,0,0|3,0,0]=4 90 B9R0.14 CCN(CCF)CC(C)C 2230a_100000738554_100011217306 [1,0,0,0,0,0|3,0,0]=4 91 B9R0.14 CCN(CCF)CC(C)C 269982a_100000738554_100011217306 [1,0,0,0,0,0|3,0,0]=4 92 B9R0.14 CCN(CCO)CC(C)C 2230a_100000210973_100000210760 [1,0,0,0,0,0|3,0,0]=4 93 B9R0.14 CCN(CCO)CC(C)C 2230a_100000738554_100000211926 [1,0,0,0,0,0|3,0,0]=4 94 B9R0.14 CCN(CCO)CC(C)C 2230a_100015185251_100000210202 [1,0,0,0,0,0|3,0,0]=4 95 B9R0.14 CCN(CCO)CC(C)C 269982a_100000210973_100000210624 [1,0,0,0,0,0|3,0,0]=4 96 B9R0.14 CCN(CCO)CC(C)C 269982a_100000738554_100000211926 [1,0,0,0,0,0|3,0,0]=4 97 B9R0.14 CCN(CCO)CC(C)C 269982a_100015185251_100000204670 [1,0,0,0,0,0|3,0,0]=4 98 B9R0.14 CCN(CCO)CC(C)C 270004a_100000210973_100000210432 [1,0,0,0,0,0|3,0,0]=4 99 B9R0.14 CCN(COC)CC(C)C 2230a_100000738554_100000766300 [1,0,0,0,0,0|3,0,0]=4 100 B9R0.14 CCN(COC)CC(C)C 269982a_100000738554_100000766300 [1,0,0,0,0,0|3,0,0]=4 101 B9R0.14 CCN(CSC)CC(C)C 2230a_100000738554_100011218213 [1,0,0,0,0,0|3,0,0]=4 102 B9R0.14 CCN(CSC)CC(C)C 269982a_100000738554_100011218213 [1,0,0,0,0,0|3,0,0]=4 103 B9R0.14 CCNC(C#N)CC(C)C 2230a_100000741378_100000210202 [1,0,0,0,0,0|2,0,1]=4 104 B9R0.14 CCN[C@H](CO)CC(C)C 2230a_100011830311_100000210202 [1,0,0,0,0,0|2,0,0]=3 105 B9R0.14 CCN[C@H](CO)CC(C)C 34a_100011830311_100000210202 [1,0,0,0,0,0|2,0,0]=3 106 B9R0.14 CCOC(C#N)CC(C)C 34a_200011294978_100000210202 [1,0,0,0,0,0|1,0,1]=3 107 B9R0.14 CCOC(C#N)CC(C)C 7a_200011294978_100000210202 [1,0,0,0,0,0|1,0,1]=3 108 B9R0.14 CNCC(CO)CC(C)C 34a_200000723437_200000210301 [1,0,0,0,0,0|3,0,0]=4 109 B9R0.14 CN[C@H](CCO)CC(C)C 2230a_100161151251_200000210301 [1,0,0,0,0,0|3,0,0]=4 110 B9R0.14 COCC(CN)CC(C)C 34a_200000723437_200000210301 [1,0,0,0,0,0|3,0,0]=4 111 B9R0.17 C/C=C/C(CCC)OCC 34a_200016264281_100000210202 [1,0,0,0,0,0|1,0,1]=3 112 B9R0.17 C/C=C/C(CCC)OCC 7a_200016264281_100000210202 [1,0,0,0,0,0|1,0,1]=3 113 B9R0.17 C/C=C/C(CCC)OCF 34a_200016264281_100015361967 [1,0,0,0,0,0|2,0,1]=4 114 B9R0.17 C/C=C/C(CCC)OCF 7a_200016264281_100015361967 [1,0,0,0,0,0|2,0,1]=4 115 B9R0.17 C=CCC(CCC)OCC 34a_100011215139_100000210202 [1,0,0,0,0,0|1,0,2]=4 116 B9R0.17 C=CCC(CCC)OCC 7a_100011215139_100000210202 [1,0,0,0,0,0|1,0,2]=4 117 B9R0.17 CCCC(CCC)COC 34a_200011215456_200000210301 [1,0,0,0,0,0|3,0,0]=4 118 B9R0.17 CCCC(CCC)COC 7a_200011215456_200000210301 [1,0,0,0,0,0|3,0,0]=4 119 B9R0.17 CCCC(CCC)CO[13CH3] 34a_200011215456_200025704644 [1,0,0,0,0,0|3,0,0]=4 120 B9R0.17 CCCC(CCC)CO[13CH3] 7a_200011215456_200025704644 [1,0,0,0,0,0|3,0,0]=4 121 B9R0.17 CCCC(CCC)NCC 2230a_100011207992_100000210202 [1,0,0,0,0,0|2,0,0]=3 122 B9R0.17 CCCC(CCC)NCC 270004a_100015525214_100000210088 [1,0,0,0,0,0|2,0,0]=3 123 B9R0.17 CCCC(CCC)NCC 34a_100011207992_100000210202 [1,0,0,0,0,0|2,0,0]=3 124 B9R0.17 CCCC(CCC)NCF 34a_100011207992_100015361967 [1,0,0,0,0,0|3,0,0]=4 125 B9R0.17 CCCC(CCC)OCC 34a_100121572206_200011218217 [1,0,0,0,0,0|1,0,0]=2 126 B9R0.17 CCCC(CCC)OCC 34a_200011218534_100000210202 [1,0,0,0,0,0|1,0,0]=2 127 B9R0.17 CCCC(CCC)OCC 7a_200011218534_100000210202 [1,0,0,0,0,0|1,0,0]=2 128 B9R0.17 CCCC(CCC)OCF 34a_200011218534_100015361967 [1,0,0,0,0,0|2,0,0]=3 129 B9R0.17 CCCC(CCC)OCF 7a_200011218534_100015361967 [1,0,0,0,0,0|2,0,0]=3 130 B9R0.17 CCCC(CCC)SCC 62a_100000210202_200011218217 [1,0,0,0,0,0|1,1,0]=3 131 B9R0.17 CCCC(CCC)SCC 62a_200011218217_100000210202 [1,0,0,0,0,0|1,1,0]=3 132 B9R0.17 CCCC(CCC)SCF 62a_100015361967_200011218217 [1,0,0,0,0,0|2,1,0]=4 133 B9R0.17 CCCC(CCC)SCF 62a_200011218217_100015361967 [1,0,0,0,0,0|2,1,0]=4 134 B9R0.17 CCCN(CCC)CCC 2230a_100000210455_100000210303 [1,0,0,0,0,0|3,0,0]=4 135 B9R0.17 CCCN(CCC)CCC 269982a_100000210455_100000210303 [1,0,0,0,0,0|3,0,0]=4 136 B9R0.17 CCC[C@@H](CCO)NCC 2230a_100015193777_100000210202 [1,0,0,0,0,0|3,0,0]=4 137 B9R0.17 CCC[C@@H](CCO)NCC 34a_100015193777_100000210202 [1,0,0,0,0,0|3,0,0]=4 138 B9R0.17 CCOC(CNC)OCC 2230a_106832991635_100000210512 [1,0,0,0,0,0|1,0,0]=2 139 B9R0.17 CCOC(CNC)OCC 34a_100000211098_200000210301 [1,0,0,0,0,0|1,0,0]=2 140 B9R0.17 CCOC(CNC)OCC 34a_100102657272_100000210512 [1,0,0,0,0,0|1,0,0]=2 141 B9R0.17 CCOC(CNC)OCC 7a_106832991635_100000210512 [1,0,0,0,0,0|1,0,0]=2 142 B9R0.17 CCOC(CN[13CH3])OCC 34a_100000211098_200025704644 [1,0,0,0,0,0|1,0,0]=2 143 B9R0.17 CCOC(COC)COC 34a_100000766098_100000210202 [1,0,0,0,0,0|3,0,0]=4 144 B9R0.17 CCOC(COC)OCC 34a_100011216334_200000210301 [1,0,0,0,0,0|1,0,0]=2 145 B9R0.17 CCOC(COC)OCC 34a_100138415774_100000210512 [1,0,0,0,0,0|1,0,0]=2 146 B9R0.17 CCOC(COC)OCC 7a_100011216334_200000210301 [1,0,0,0,0,0|1,0,0]=2 147 B9R0.17 CCOC(CO[13CH3])OCC 34a_100011216334_200025704644 [1,0,0,0,0,0|1,0,0]=2 148 B9R0.17 CCOC(CO[13CH3])OCC 7a_100011216334_200025704644 [1,0,0,0,0,0|1,0,0]=2 149 B9R0.17 CCOC(CSC)CSC 7a_200000036665_100000210202 [1,0,0,0,0,0|3,0,0]=4 150 B9R0.17 CCOC(CSC)OCC 62a_100000210512_200000210301 [1,0,0,0,0,0|1,0,0]=2 151 B9R0.17 CCOC(CSC)OCC 62a_200000210301_100000210512 [1,0,0,0,0,0|1,0,0]=2 152 B9R0.17 CCOC(CS[13CH3])OCC 62a_100000210512_200025704644 [1,0,0,0,0,0|1,0,0]=2 153 B9R0.17 CCOC(CS[13CH3])OCC 62a_200025704644_100000210512 [1,0,0,0,0,0|1,0,0]=2 154 B11R0.35 CC(C)CC(CC(C)C)OCF 34a_100011219621_100015361967 [0,1,0,0,0,0|2,0,0]=3 155 B11R0.35 CC(C)CC(CC(C)C)OCF 7a_100011219621_100015361967 [0,1,0,0,0,0|2,0,0]=3 156 B11R0.35 CC(C)C[C@@H](CCO)NC(C)C 2230a_100161151251_100000210206 [0,1,0,0,0,0|3,0,0]=4 157 B11R0.35 CC=CC(CC(C)C)OC(C)C 34a_100020643927_100000210206 [0,1,0,0,0,0|1,0,1]=3 158 B11R0.35 CC=CC(CC(C)C)OC(C)C 7a_100020643927_100000210206 [0,1,0,0,0,0|1,0,1]=3 159 B11R0.35 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[0,1,0,0,0,0|3,0,0]=4 171 B11R0.39 CCCN(CC(C)C)C(C)CC 270004a_200011216551_100000210432 [0,1,0,0,0,0|3,0,0]=4 172 B11R0.39 CCO[C@H](CC(C)C)C(=O)OC 34a_100014169393_100000210202 [0,1,0,0,0,0|2,0,0]=3 173 B11R0.39 CCO[C@H](CC(C)C)C(=O)OC 7a_100014169393_100000210202 [0,1,0,0,0,0|2,0,0]=3 174 B11R0.39 COC(=O)[C@@H](CC(C)C)OCF 34a_100014169393_100015361967 [0,1,0,0,0,0|3,0,0]=4 175 B11R0.39 COC(=O)[C@@H](CC(C)C)OCF 7a_100014169393_100015361967 [0,1,0,0,0,0|3,0,0]=4 176 B11R0.47 C#CCOC(C=CC)CC(C)C 34a_100020643927_100000184674 [0,1,0,0,0,0|1,0,2]=4 177 B11R0.47 C#CCOC(C=CC)CC(C)C 7a_100020643927_100000038162 [0,1,0,0,0,0|1,0,2]=4 178 B11R0.47 C#CCOC(CCC)CC(C)C 34a_100011351045_100000184674 [0,1,0,0,0,0|1,0,1]=3 179 B11R0.47 C#CCOC(CCC)CC(C)C 7a_100011351045_100000038162 [0,1,0,0,0,0|1,0,1]=3 180 B11R0.47 C=CCOC(C=CC)CC(C)C 34a_100020643927_100015514636 [0,1,0,0,0,0|1,0,2]=4 181 B11R0.47 C=CCOC(C=CC)CC(C)C 7a_100020643927_100015514636 [0,1,0,0,0,0|1,0,2]=4 182 B11R0.47 C=CCOC(CCC)CC(C)C 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CC=CC(CC(C)C)OCCO 7a_100020643927_100000211926 [0,1,0,0,0,0|1,0,1]=3 195 B11R0.47 CC=CC(CC(C)C)OCSC 34a_100020643927_100011218213 [0,1,0,0,0,0|1,0,1]=3 196 B11R0.47 CCC#CC(CC(C)C)OCC 34a_200000035896_100000210202 [0,1,0,0,0,0|1,0,0]=2 197 B11R0.47 CCC#CC(CC(C)C)OCC 7a_200000035896_100000210202 [0,1,0,0,0,0|1,0,0]=2 198 B11R0.47 CCC#CC(CC(C)C)OCF 34a_200000035896_100015361967 [0,1,0,0,0,0|2,0,0]=3 199 B11R0.47 CCC#CC(CC(C)C)OCF 7a_200000035896_100015361967 [0,1,0,0,0,0|2,0,0]=3 200 B11R0.47 CCCC(=NNCC)CC(C)C 4a_100000756455_100011216271 [0,1,0,0,0,0|2,0,1]=4 201 B11R0.47 CCCC(CC(C)C)OCC#N 7a_100011351045_100011215382 [0,1,0,0,0,0|1,0,1]=3 202 B11R0.47 CCCC(CC(C)C)OCC=O 34a_100011351045_200009817547 [0,1,0,0,0,0|1,0,1]=3 203 B11R0.47 CCCC(CC(C)C)OCC=O 7a_100011351045_200015260668 [0,1,0,0,0,0|1,0,1]=3 204 B11R0.47 CCCC(CC(C)C)OCCF 34a_100011351045_100011217306 [0,1,0,0,0,0|1,0,0]=2 205 B11R0.47 CCCC(CC(C)C)OCCF 7a_100011351045_100011217306 [0,1,0,0,0,0|1,0,0]=2 206 B11R0.47 CCCC(CC(C)C)OCCO 34a_100011351045_100000211926 [0,1,0,0,0,0|1,0,0]=2 207 B11R0.47 CCCC(CC(C)C)OCCO 7a_100011351045_100000211926 [0,1,0,0,0,0|1,0,0]=2 208 B11R0.47 CCCC(CC(C)C)OCSC 34a_100011351045_100011218213 [0,1,0,0,0,0|1,0,0]=2 209 B11R0.47 CCCCC(CCC)NC(C)C 34a_100138425928_100000211913 [0,1,0,0,0,0|3,0,0]=4 210 B11R0.47 CCCCC(CCC)OC(C)C 34a_100000212225_100000211913 [0,1,0,0,0,0|3,0,0]=4 211 B11R0.47 CCCCC(CCC)OC(C)C 34a_100011215800_100000210206 [0,1,0,0,0,0|3,0,0]=4 212 B11R0.47 CCCCC(CCC)OC(C)C 7a_100011215800_100000210206 [0,1,0,0,0,0|3,0,0]=4 213 B11R0.47 CCCCC(CCC)SC(C)C 62a_100000210206_100000211913 [0,1,0,0,0,0|3,0,0]=4 214 B11R0.47 CCCCC(CCC)SC(C)C 62a_100000211913_100000210206 [0,1,0,0,0,0|3,0,0]=4 215 B11R0.47 CCCCN(CCC)CC(C)C 2230a_200000207744_100000210760 [0,1,0,0,0,0|3,0,0]=4 216 B11R0.47 CCCCN(CCC)CC(C)C 269982a_200000207744_100000210624 [0,1,0,0,0,0|3,0,0]=4 217 B11R0.47 CCCCN(CCC)CC(C)C 270004a_200000207744_100000210432 [0,1,0,0,0,0|3,0,0]=4 218 B11R0.47 CCCN(CCOC)CC(C)C 2230a_200011192371_100000210760 [0,1,0,0,0,0|3,0,0]=4 219 B11R0.47 CCCN(CCOC)CC(C)C 269982a_200011192371_100000210624 [0,1,0,0,0,0|3,0,0]=4 220 B11R0.47 CCCN(CCOC)CC(C)C 270004a_200011192371_100000210432 [0,1,0,0,0,0|3,0,0]=4 221 B11R0.47 CCCN[C@H](CCO)CC(C)C 2230a_100161151251_100000210303 [0,1,0,0,0,0|3,0,0]=4 222 B11R0.47 CCCOC(CCC)CC(C)C 34a_100011351045_100000210303 [0,1,0,0,0,0|1,0,0]=2 223 B11R0.47 CCCOC(CCC)CC(C)C 7a_100011351045_100000210303 [0,1,0,0,0,0|1,0,0]=2 224 B11R0.47 CCOCN(CCO)CC(C)C 269982a_100015185251_100000739092 [0,1,0,0,0,0|3,0,0]=4 225 B11R0.47 COCN[C@H](CCO)CC(C)C 2230a_100161151251_100000766300 [0,1,0,0,0,0|3,0,0]=4 226 B11R0.47 CSCN[C@H](CCO)CC(C)C 2230a_100161151251_100011218213 [0,1,0,0,0,0|3,0,0]=4 227 B11R0.95 CCCC(CC(F)(F)F)OCC 34a_100121572206_200010064508 [0,1,0,0,0,0|3,0,0]=4 228 B11R0.95 CCCC(CCC)NC(C)(C)C 34a_100011207992_100000210625 [0,1,0,0,0,0|3,0,0]=4 229 B11R0.95 CCCC(CCC)OC(C)(C)C 34a_100015890283_200011218217 [0,1,0,0,0,0|3,0,0]=4 230 B11R0.95 CCCC(CCC)OC(C)(C)C 34a_200011218534_100000210625 [0,1,0,0,0,0|3,0,0]=4 231 B11R0.95 CCCC(CCC)OC(C)(C)C 7a_100015890283_200011218217 [0,1,0,0,0,0|3,0,0]=4 232 B11R0.95 CCCC(CCC)SC(C)(C)C 62a_100000211941_200011218217 [0,1,0,0,0,0|3,0,0]=4 233 B11R0.95 CCCC(CCC)SC(C)(C)C 62a_200011218217_100000211941 [0,1,0,0,0,0|3,0,0]=4 234 B11R0.95 CCCN(CCC)CC(C)(C)C 2230a_107254831479_100000210303 [0,1,0,0,0,0|3,0,0]=4 235 B11R0.95 CCCN(CCC)CC(C)(C)C 269982a_107254831479_100000210303 [0,1,0,0,0,0|3,0,0]=4 236 B11R0.95 CCCN(CCC)CC(C)(C)C 270004a_100000210455_100011204126 [0,1,0,0,0,0|3,0,0]=4 237 B11R0.98 CCCC(CCC)C(=O)C(C)C 1458a_100000210198_200011218217 [0,1,0,0,0,0|2,0,1]=4 238 B11R0.98 CCCC(CCC)C(=O)C(C)C 1458a_100011215354_100000210206 [0,1,0,0,0,0|2,0,1]=4 239 B11R0.98 CCCC(CCC)N(C)C(C)C 269982a_200000211004_200011218217 [0,1,0,0,0,0|3,0,0]=4 240 B11R0.98 CCCC(CCC)N(C)C(C)C 270004a_200000211004_100000210088 [0,1,0,0,0,0|3,0,0]=4 241 B11R0.98 CCCN(CCC)C(C)C(C)C 2230a_200015185082_100000210303 [0,1,0,0,0,0|3,0,0]=4 242 B11R0.98 CCCN(CCC)C(C)C(C)C 269982a_200015185082_100000210303 [0,1,0,0,0,0|3,0,0]=4 243 B11R0.98 CCOC(OCC)C(=O)C(C)C 1458a_100000082760_100000210206 [0,1,0,0,0,0|0,0,1]=2 244 B11R0.98 CCOC(OCC)C(=O)N(C)C 11a_100102631434_100000082760 [0,1,0,0,0,0|1,0,1]=3 245 B11R0.98 CCOC(OCC)C(=O)N(C)C 1626a_100102631434_100000082760 [0,1,0,0,0,0|1,0,1]=3 246 B11R0.98 CCOC(OCC)C(=O)N(C)C 240690a_100102631434_100000082760 [0,1,0,0,0,0|1,0,1]=3 247 B11R0.98 CCOC(OCC)C(=O)N(C)C 527a_100102631434_100000082760 [0,1,0,0,0,0|1,0,1]=3 248 B11R0.98 CCOC(OCC)C(C)C(=O)C 1458a_100000070787_100009815656 [0,1,0,0,0,0|1,0,1]=3 249 B11R0.279 C#CC(=O)CC(OCC)OCC 1458a_100000211873_100000210512 [0,1,0,0,0,0|1,0,2]=4 250 B11R0.279 C=CC(=O)CC(OCC)OCC 1458a_100000185746_100000210512 [0,1,0,0,0,0|1,0,2]=4 251 B11R0.279 CCCC(CC(=O)OC)OCC 7a_100000065524_100000210202 [0,1,0,0,0,0|2,0,1]=4 252 B11R0.279 CCCC(CCC)NC(C)CC 2230a_100011207992_100000758301 [0,1,0,0,0,0|3,0,0]=4 253 B11R0.279 CCCC(CCC)NC(C)CC 270004a_100000209981_100000210088 [0,1,0,0,0,0|3,0,0]=4 254 B11R0.279 CCCC(CCC)NC(C)CC 34a_100011207992_100011215416 [0,1,0,0,0,0|3,0,0]=4 255 B11R0.279 CCCC(CCC)NC(C)CO 2230a_100011207992_100012180447 [0,1,0,0,0,0|3,0,0]=4 256 B11R0.279 CCCC(CCC)NC(C)CO 34a_100011207992_100012180447 [0,1,0,0,0,0|3,0,0]=4 257 B11R0.279 CCCC(CCC)N[C@H](C)CF 270004a_100102880703_100000210088 [0,1,0,0,0,0|3,0,0]=4 258 B11R0.279 CCCC(CCC)N[C@H](C)CO 270004a_100000737577_100000210088 [0,1,0,0,0,0|3,0,0]=4 259 B11R0.279 CCCC(CCC)OC(C)CC 34a_200011218534_100011215416 [0,1,0,0,0,0|3,0,0]=4 260 B11R0.279 CCCC(CCC)OC(C)CC 7a_100000210228_200011218217 [0,1,0,0,0,0|3,0,0]=4 261 B11R0.279 CCCC(CCC)OC(C)CC 7a_200011218534_100000758301 [0,1,0,0,0,0|3,0,0]=4 262 B11R0.279 CCCC(CCC)OC(C)CF 34a_100016041109_200011218217 [0,1,0,0,0,0|3,0,0]=4 263 B11R0.279 CCCC(CCC)OC(C)CF 7a_100016041109_200011218217 [0,1,0,0,0,0|3,0,0]=4 264 B11R0.279 CCCC(CCC)OC(C)CN 34a_100000210904_200011218217 [0,1,0,0,0,0|3,0,0]=4 265 B11R0.279 CCCC(CCC)OC(C)CO 34a_200011218534_100012180447 [0,1,0,0,0,0|3,0,0]=4 266 B11R0.279 CCCC(CCC)OC(C)CO 7a_200011218534_100012180447 [0,1,0,0,0,0|3,0,0]=4 267 B11R0.279 CCCC(CCC)SC(C)CC 62a_100000758301_200011218217 [0,1,0,0,0,0|3,0,0]=4 268 B11R0.279 CCCC(CCC)SC(C)CC 62a_200011218217_100000758301 [0,1,0,0,0,0|3,0,0]=4 269 B11R0.279 CCCC(CCC)SC(C)CO 62a_100012180447_200011218217 [0,1,0,0,0,0|3,0,0]=4 270 B11R0.279 CCCC(CCC)SC(C)OC 62a_100009879195_200011218217 [0,1,0,0,0,0|3,0,0]=4 271 B11R0.279 CCCC(CCC)SC(C)OC 62a_200011218217_100009879195 [0,1,0,0,0,0|3,0,0]=4 272 B11R0.279 CCCC(CCC)S[C@H](C)CO 62a_100016084084_200011218217 [0,1,0,0,0,0|3,0,0]=4 273 B11R0.279 CCCC(CCC)S[C@H](C)CO 62a_200011218217_100016084084 [0,1,0,0,0,0|3,0,0]=4 274 B11R0.279 CCCN(CCC)CC(C)CC 2230a_100000210455_100000748023 [0,1,0,0,0,0|3,0,0]=4 275 B11R0.279 CCCN(CCC)CC(C)CC 269982a_100000210455_100000748023 [0,1,0,0,0,0|3,0,0]=4 276 B11R0.279 CCCN(CCC)CC(C)CC 270004a_100000210455_100000243153 [0,1,0,0,0,0|3,0,0]=4 277 B11R0.279 CCCN(CCC)C[C@@H](C)CC 2230a_100000210455_100009816398 [0,1,0,0,0,0|3,0,0]=4 278 B11R0.279 CCCN(CCC)C[C@@H](C)CC 269982a_100000210455_100009816398 [0,1,0,0,0,0|3,0,0]=4 279 B11R0.279 CCCN(CCC)C[C@@H](C)CO 2230a_100000210455_100000059175 [0,1,0,0,0,0|3,0,0]=4 280 B11R0.279 CCCN(CCC)C[C@@H](C)CO 269982a_100000210455_100000059175 [0,1,0,0,0,0|3,0,0]=4 281 B11R0.279 CCOC(CC(=O)CC)OCC 1458a_100000082722_100000210202 [0,1,0,0,0,0|1,0,1]=3 282 B11R0.279 CCOC(CC(=O)CC)OCC 1458a_100000210414_100000210512 [0,1,0,0,0,0|1,0,1]=3 283 B11R0.279 CCOC(CC(=O)CF)OCC 1458a_100000082722_100015361967 [0,1,0,0,0,0|1,0,1]=3 284 B11R0.279 CCOC(CC(=O)CO)OCC 1458a_100000210174_100000210512 [0,1,0,0,0,0|1,0,1]=3 285 B11R0.279 CCOC(CC(=O)NC)OCC 11a_106832991635_100000082722 [0,1,0,0,0,0|1,0,1]=3 286 B11R0.279 CCOC(CC(=O)NC)OCC 1626a_100102657272_100000082722 [0,1,0,0,0,0|1,0,1]=3 287 B11R0.279 CCOC(CC(=O)NC)OCC 240690a_100102657272_100000082722 [0,1,0,0,0,0|1,0,1]=3 288 B11R0.279 CCOC(CC(=O)NC)OCC 527a_100102657272_100000082722 [0,1,0,0,0,0|1,0,1]=3 289 B11R0.279 CCOC(CN(C)CC)OCC 2230a_100000225621_100000210512 [0,1,0,0,0,0|1,0,0]=2 290 B11R0.279 CCOC(CN(C)CC)OCC 2230a_100000227179_200000210301 [0,1,0,0,0,0|1,0,0]=2 291 B11R0.279 CCOC(CN(C)CC)OCC 269982a_100000225621_100000733474 [0,1,0,0,0,0|1,0,0]=2 292 B11R0.279 CCOC(CN(C)CC)OCC 269982a_100000227179_200000210301 [0,1,0,0,0,0|1,0,0]=2 293 B11R0.279 CCOC(CN(C)CC)OCC 269982a_200000227172_100000204670 [0,1,0,0,0,0|1,0,0]=2 294 B11R0.279 CCOC(CN(C)CC)OCC 34a_200000227172_100000210202 [0,1,0,0,0,0|1,0,0]=2 295 B11R0.279 CCOC(CN(C)CF)OCC 269982a_200000227172_100015361967 [0,1,0,0,0,0|1,0,0]=2 296 B11R0.279 CCOC(CN(C)CF)OCC 34a_200000227172_100015361967 [0,1,0,0,0,0|1,0,0]=2 297 B11R0.279 CCOC(CN([13CH3])CC)OCC 2230a_100000227179_200025704644 [0,1,0,0,0,0|1,0,0]=2 298 B11R0.279 CCOC(CN([13CH3])CC)OCC 269982a_100000227179_200025704644 [0,1,0,0,0,0|1,0,0]=2 299 B11R0.352 CCCC(C)(CCC)OC(C)C 7a_200011219694_100000210206 [0,1,0,0,0,0|3,0,0]=4 300 B11R0.352 CCOP(=O)(CC(=O)C)OCC 1458a_100000039776_200000210301 [0,1,0,0,0,0|2,0,1]=4 301 B11R0.352 CCOP(=O)(CC(=O)C)OCC 1458a_100000070787_100010393119 [0,1,0,0,0,0|2,0,1]=4 302 B11R0.352 CCOP(=O)(CC(=O)[13CH3])OCC 1458a_100000039776_200025704644 [0,1,0,0,0,0|2,0,1]=4 303 B11R0.352 CCOP(=O)(CN(C)C)OCC 2230a_100102631434_100010393119 [0,1,0,0,0,0|2,0,0]=3 304 B11R0.352 CCOP(=O)(CN(C)C)OCC 269982a_100102631434_100000034688 [0,1,0,0,0,0|2,0,0]=3 305 B11R0.352 CCO[Si](C)(CN(C)C)OCC 269982a_100102631434_100000061259 [0,1,0,0,0,0|1,1,0]=3 306 B11R1.34 CC1CC(CC(O1)C)OCF 34a_200000691454_100015361967 [0,0,0,1,0,0|3,0,0]=4 307 B11R1.34 CC1CC(CC(O1)C)OCF 7a_200000691454_100015361967 [0,0,0,1,0,0|3,0,0]=4 308 B11R1.34 CCCN1CC(CC(C1)C)C 2230a_100000210448_100000210303 [0,0,0,1,0,0|3,0,0]=4 309 B11R1.34 CCCN1CC(CC(C1)C)C 269982a_100000210448_100000210303 [0,0,0,1,0,0|3,0,0]=4 310 B11R1.34 CCCN1CC(CC(C1)C)C 34a_100000210448_100000210303 [0,0,0,1,0,0|3,0,0]=4 311 B11R1.34 CCNC1CC(CC(C1)C)C 270004a_100015525214_100000753413 [0,0,0,1,0,0|2,0,0]=3 312 B11R1.34 CCNC1CC(OC(C1)C)C 270004a_100015525214_200102525066 [0,0,0,1,0,0|3,0,0]=4 313 B11R1.34 CCOC1CC(OC(C1)C)C 34a_200000691454_100000210202 [0,0,0,1,0,0|2,0,0]=3 314 B11R1.34 CCOC1CC(OC(C1)C)C 7a_200000691454_100000210202 [0,0,0,1,0,0|2,0,0]=3 315 B11R1.57 CC(C)CC1CCCN1CF 269982a_100000748429_100015361967 [0,0,0,1,0,0|3,0,0]=4 316 B11R1.57 CC(C)CC1CCCN1CF 34a_100000748429_100015361967 [0,0,0,1,0,0|3,0,0]=4 317 B11R1.57 CCC1CCCN1CC(C)C 2230a_100000754278_100000210760 [0,0,0,1,0,0|3,0,0]=4 318 B11R1.57 CCC1CCCN1CC(C)C 269982a_100000754278_100000210624 [0,0,0,1,0,0|3,0,0]=4 319 B11R1.57 CCC1CCCN1CC(C)C 270004a_100000754278_100000210432 [0,0,0,1,0,0|3,0,0]=4 320 B11R1.57 CCC1CCCN1CC(C)C 34a_100000754278_100000210624 [0,0,0,1,0,0|3,0,0]=4 321 B11R1.57 CCN1CCCC1CC(C)C 2230a_100000748429_100000210202 [0,0,0,1,0,0|2,0,0]=3 322 B11R1.57 CCN1CCCC1CC(C)C 269982a_100000748429_100000204670 [0,0,0,1,0,0|2,0,0]=3 323 B11R1.57 CCN1CCCC1CC(C)C 34a_100000748429_100000210202 [0,0,0,1,0,0|2,0,0]=3 324 B11R1.57 CCN1CCC[C@@H]1CN(C)C 269982a_200020645772_100000204670 [0,0,0,1,0,0|3,0,0]=4 325 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 2230a_100000717927_100000210760 [0,0,0,1,0,0|3,0,0]=4 326 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 269982a_100000717927_100000210624 [0,0,0,1,0,0|3,0,0]=4 327 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 270004a_100000717927_100000210432 [0,0,0,1,0,0|3,0,0]=4 328 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 34a_100000717927_100000210624 [0,0,0,1,0,0|3,0,0]=4 329 B11R1.157 CC1CCCC(C1)NC(C)C 2230a_100011194320_100000210206 [0,0,0,1,0,0|3,0,0]=4 330 B11R1.157 CC1CCCC(C1)NC(C)C 34a_100011194320_100000210206 [0,0,0,1,0,0|3,0,0]=4 331 B11R1.157 CC1CCCC(C1)OC(C)C 34a_100000211399_100000210206 [0,0,0,1,0,0|3,0,0]=4 332 B11R1.157 CN(C)CC1CN(CCO1)C 2230a_100000752868_200000210301 [0,0,0,1,0,0|3,0,0]=4 333 B11R1.157 CN(C)CC1CN(CCO1)C 269982a_100000752868_200000210301 [0,0,0,1,0,0|3,0,0]=4 334 B11R1.157 CN(C)CC1CN(CCO1)[13CH3] 2230a_100000752868_200025704644 [0,0,0,1,0,0|3,0,0]=4 335 B11R1.157 CN(C)CC1CN(CCO1)[13CH3] 269982a_100000752868_200025704644 [0,0,0,1,0,0|3,0,0]=4 336 B11R1.193 CCCC1CCCC1N(C)C 270004a_100102631434_100000723119 [0,0,0,1,0,0|3,0,0]=4 337 B11R1.193 CCCN1CCCC1C(C)C 2230a_100000762757_100000210303 [0,0,0,1,0,0|3,0,0]=4 338 B11R1.193 CCCN1CCCC1C(C)C 269982a_100000762757_100000210303 [0,0,0,1,0,0|3,0,0]=4 339 B11R1.193 CCCN1CCCC1C(C)C 34a_100000762757_100000210303 [0,0,0,1,0,0|3,0,0]=4 340 B11R1.342 CC1(CC(CCO1)OCF)C 34a_100000693217_100015361967 [0,0,0,1,0,0|3,0,0]=4 341 B11R1.342 CC1(CC(CCO1)OCF)C 7a_100000693217_100015361967 [0,0,0,1,0,0|3,0,0]=4 342 B11R1.342 CC1(CCCC(C1)OCF)C 7a_100011995757_100015361967 [0,0,0,1,0,0|2,0,0]=3 343 B11R1.342 CCCN1CCCC(C1)(C)C 2230a_100000716857_100000210303 [0,0,0,1,0,0|3,0,0]=4 344 B11R1.342 CCCN1CCCC(C1)(C)C 269982a_100000716857_100000210303 [0,0,0,1,0,0|3,0,0]=4 345 B11R1.342 CCCN1CCCC(C1)(C)C 34a_100000716857_100000210303 [0,0,0,1,0,0|3,0,0]=4 346 B11R1.342 CCNC1CCCC(C1)(C)C 270004a_100015525214_100000031663 [0,0,0,1,0,0|2,0,0]=3 347 B11R1.342 CCNC1CCNC(C1)(C)C 270004a_100015525214_100015191244 [0,0,0,1,0,0|3,0,0]=4 348 B11R1.342 CCNC1CCOC(C1)(C)C 2230a_100000696200_100000210202 [0,0,0,1,0,0|3,0,0]=4 349 B11R1.342 CCNC1CCOC(C1)(C)C 270004a_100015525214_100000755756 [0,0,0,1,0,0|3,0,0]=4 350 B11R1.342 CCOC1CCCC(C1)(C)C 7a_100011995757_100000210202 [0,0,0,1,0,0|1,0,0]=2 351 B11R1.342 CCOC1CCOC(C1)(C)C 34a_100000693217_100000210202 [0,0,0,1,0,0|2,0,0]=3 352 B11R1.342 CCOC1CCOC(C1)(C)C 34a_100121572206_100010191092 [0,0,0,1,0,0|2,0,0]=3 353 B11R1.342 CCOC1CCOC(C1)(C)C 7a_100000693217_100000210202 [0,0,0,1,0,0|2,0,0]=3 354 B11R1.342 CCSC1CCOC(C1)(C)C 62a_100000210202_100010191092 [0,0,0,1,0,0|2,1,0]=4 355 B11R1.342 CCSC1CCOC(C1)(C)C 62a_100010191092_100000210202 [0,0,0,1,0,0|2,1,0]=4 356 B11R1.742 CC(C)CN1CCCCCC1 2230a_100000185865_100000210760 [0,0,0,1,0,0|3,0,0]=4 357 B11R1.742 CC(C)CN1CCCCCC1 269982a_100000185865_100000210624 [0,0,0,1,0,0|3,0,0]=4 358 B11R1.742 CC(C)CN1CCCCCC1 270004a_100000185865_100000210432 [0,0,0,1,0,0|3,0,0]=4 359 B11R1.742 CC(C)CN1CCCCCC1 34a_100000185865_100000210624 [0,0,0,1,0,0|3,0,0]=4 360 B11R1.742 CC(C)NC1CCCCCC1 2230a_100000210984_100000210206 [0,0,0,1,0,0|3,0,0]=4 361 B11R1.742 CC(C)NC1CCCCCC1 34a_100000210984_100000210206 [0,0,0,1,0,0|3,0,0]=4 362 B11R1.742 CC(C)NC1CCCCCC1 34a_100138425928_100011217769 [0,0,0,1,0,0|3,0,0]=4 363 B11R1.742 CC(C)OC1CCCCCC1 34a_100000210887_100000210206 [0,0,0,1,0,0|3,0,0]=4 364 B11R1.742 CC(C)OC1CCCCCC1 34a_100000212225_100011217769 [0,0,0,1,0,0|3,0,0]=4 365 B11R1.742 CC(C)OC1CCCCCC1 7a_100000210887_100000210206 [0,0,0,1,0,0|3,0,0]=4 366 B11R1.742 CC(C)SC1CCCCCC1 62a_100000210206_100011217769 [0,0,0,1,0,0|3,0,0]=4 367 B11R1.742 CC(C)SC1CCCCCC1 62a_100011217769_100000210206 [0,0,0,1,0,0|3,0,0]=4 368 B11R1.742 CN(C)CC1CCCCCC1 2230a_100102631434_200000696569 [0,0,0,1,0,0|3,0,0]=4 369 B11R1.742 CN(C)CC1CCCCCC1 269982a_100102631434_200000696569 [0,0,0,1,0,0|3,0,0]=4 370 B11R1.771 CC(C)CC1(CCC1)CN[13CH3] 2230a_100000687023_200025704644 [0,0,0,1,0,0|3,0,0]=4 371 B11R1.771 CNCC1(CCC1)CC(C)C 2230a_100000687023_200000210301 [0,0,0,1,0,0|3,0,0]=4 372 B11R1.799 CCCC(CCC)NC1CC1 34a_100000212008_200011218217 [0,0,0,1,0,0|3,0,0]=4 373 B11R1.799 CCCC(CCC)NC1CC1 34a_100011207992_100000211595 [0,0,0,1,0,0|3,0,0]=4 374 B11R1.799 CCCC(CCC)OC1CC1 34a_200011218534_100000211595 [0,0,0,1,0,0|3,0,0]=4 375 B11R1.799 CCCC(CCC)SC1CC1 62a_200011218217_100000211595 [0,0,0,1,0,0|3,0,0]=4 376 B11R1.799 CCCN(CCC)CC1CC1 2230a_100000210455_100000742324 [0,0,0,1,0,0|3,0,0]=4 377 B11R1.799 CCCN(CCC)CC1CC1 2230a_100000210729_100000210303 [0,0,0,1,0,0|3,0,0]=4 378 B11R1.799 CCCN(CCC)CC1CC1 269982a_100000210455_100000756562 [0,0,0,1,0,0|3,0,0]=4 379 B11R1.799 CCCN(CCC)CC1CC1 269982a_100000210729_100000210303 [0,0,0,1,0,0|3,0,0]=4 380 B11R1.799 CCCN(CCC)CC1CC1 34a_100000210729_100000210303 [0,0,0,1,0,0|3,0,0]=4 381 B11R1.804 CCCN(CC(C)C)C1CC1 2230a_100000737031_100000210303 [0,0,0,1,0,0|3,0,0]=4 382 B11R1.804 CCCN(CC(C)C)C1CC1 2230a_100000765834_100000210760 [0,0,0,1,0,0|3,0,0]=4 383 B11R1.804 CCCN(CC(C)C)C1CC1 269982a_100000737031_100000210303 [0,0,0,1,0,0|3,0,0]=4 384 B11R1.804 CCCN(CC(C)C)C1CC1 269982a_100000765834_100000210624 [0,0,0,1,0,0|3,0,0]=4 385 B11R1.804 CCCN(CC(C)C)C1CC1 270004a_100000765834_100000210432 [0,0,0,1,0,0|3,0,0]=4 386 B11R1.804 CCCN(CC(C)C)C1CC1 34a_100000737031_100000210303 [0,0,0,1,0,0|3,0,0]=4 387 B9R0.15 C=CCC(OCC)C(C)C 34a_200011216146_100000210202 [0,0,0,0,1,0|1,0,2]=4 388 B9R0.15 C=CCC(OCC)C(C)C 7a_200011216146_100000210202 [0,0,0,0,1,0|1,0,2]=4 389 B9R0.15 CCCC(CCC)N(C)C 269982a_100102631434_200011218217 [0,0,0,0,1,0|3,0,0]=4 390 B9R0.15 CCCC(CCC)N(C)C 270004a_100102631434_100000210088 [0,0,0,0,1,0|3,0,0]=4 391 B9R0.15 CCCC(OCC)C(C)C 34a_200011215069_100000210202 [0,0,0,0,1,0|1,0,0]=2 392 B9R0.15 CCCC(OCC)C(C)C 7a_200011215069_100000210202 [0,0,0,0,1,0|1,0,0]=2 393 B9R0.15 CCCC(OCF)C(C)C 34a_200011215069_100015361967 [0,0,0,0,1,0|2,0,0]=3 394 B9R0.15 CCCC(OCF)C(C)C 7a_200011215069_100015361967 [0,0,0,0,1,0|2,0,0]=3 395 B9R0.15 CCCN(CCC)C(C)C 2230a_100000210455_100000210206 [0,0,0,0,1,0|3,0,0]=4 396 B9R0.15 CCCN(CCC)C(C)C 2230a_106256033942_100000210303 [0,0,0,0,1,0|3,0,0]=4 397 B9R0.15 CCCN(CCC)C(C)C 269982a_100000210455_100000210206 [0,0,0,0,1,0|3,0,0]=4 398 B9R0.15 CCCN(CCC)C(C)C 269982a_106256033942_100000210303 [0,0,0,0,1,0|3,0,0]=4 399 B9R0.15 CCNC(CCO)C(C)C 2230a_100161115045_100000210202 [0,0,0,0,1,0|3,0,0]=4 400 B9R0.15 CCNC(CCO)C(C)C 34a_100161115045_100000210202 [0,0,0,0,1,0|3,0,0]=4 401 B9R0.15 CCNC(COC)C(C)C 2230a_100000760233_100000210202 [0,0,0,0,1,0|3,0,0]=4 402 B9R0.15 CCOC(OCC)C(=O)C 1458a_100000082760_200000210301 [0,0,0,0,1,0|1,0,1]=3 403 B9R0.15 CCOC(OCC)C(=O)[13CH3] 1458a_100000082760_200025704644 [0,0,0,0,1,0|1,0,1]=3 404 B9R0.15 CCOC(OCC)C(F)F 34a_100000038436_100000210202 [0,0,0,0,1,0|2,0,0]=3 405 B9R0.15 CCOC(OCC)C(F)F 7a_100000038436_100000210202 [0,0,0,0,1,0|2,0,0]=3 406 B9R0.15 CCOC(OCF)C(F)F 34a_100000038436_100015361967 [0,0,0,0,1,0|3,0,0]=4 407 B9R0.15 CCOC(OCF)C(F)F 7a_100000038436_100015361967 [0,0,0,0,1,0|3,0,0]=4 408 B11R0.280 C/C=C/C(CCC)OCC(C)C 34a_200016264281_100000210624 [0,0,0,0,0,1|2,0,1]=4 409 B11R0.280 C/C=C/C(CCC)OCC(C)C 7a_200016264281_100000210760 [0,0,0,0,0,1|2,0,1]=4 410 B11R0.280 CCCC(CCC)COC(C)C 34a_200011215456_100000210206 [0,0,0,0,0,1|2,0,0]=3 411 B11R0.280 CCCC(CCC)COC(C)C 7a_200011215456_100000210206 [0,0,0,0,0,1|2,0,0]=3 412 B11R0.280 CCCC(CCC)NCC(C)C 2230a_100011207992_100000210760 [0,0,0,0,0,1|2,0,0]=3 413 B11R0.280 CCCC(CCC)NCC(C)C 270004a_100000210953_100000210088 [0,0,0,0,0,1|2,0,0]=3 414 B11R0.280 CCCC(CCC)NCC(C)C 270004a_100011207992_100000210432 [0,0,0,0,0,1|2,0,0]=3 415 B11R0.280 CCCC(CCC)NCC(C)C 34a_100000210953_200011218217 [0,0,0,0,0,1|2,0,0]=3 416 B11R0.280 CCCC(CCC)NCC(C)C 34a_100011207992_100000210624 [0,0,0,0,0,1|2,0,0]=3 417 B11R0.280 CCCC(CCC)NCC(C)O 2230a_100011207992_100011218427 [0,0,0,0,0,1|3,0,0]=4 418 B11R0.280 CCCC(CCC)NCC(C)O 270004a_100000210904_100000210088 [0,0,0,0,0,1|3,0,0]=4 419 B11R0.280 CCCC(CCC)NCC(C)O 34a_100000210904_200011218217 [0,0,0,0,0,1|3,0,0]=4 420 B11R0.280 CCCC(CCC)NCC(C)O 34a_100011207992_100011218427 [0,0,0,0,0,1|3,0,0]=4 421 B11R0.280 CCCC(CCC)NC[C@@H](C)O 2230a_100011207992_100009817552 [0,0,0,0,0,1|3,0,0]=4 422 B11R0.280 CCCC(CCC)NC[C@@H](C)O 34a_100011207992_100009817552 [0,0,0,0,0,1|3,0,0]=4 423 B11R0.280 CCCC(CCC)OCC(C)Br 34a_100012180447_200011218217 [0,0,0,0,0,1|3,0,0]=4 424 B11R0.280 CCCC(CCC)OCC(C)C 34a_100000210257_200011218217 [0,0,0,0,0,1|2,0,0]=3 425 B11R0.280 CCCC(CCC)OCC(C)C 34a_200011218534_100000210624 [0,0,0,0,0,1|2,0,0]=3 426 B11R0.280 CCCC(CCC)OCC(C)C 7a_200011218534_100000210760 [0,0,0,0,0,1|2,0,0]=3 427 B11R0.280 CCCC(CCC)OCC(C)F 34a_100015925927_200011218217 [0,0,0,0,0,1|3,0,0]=4 428 B11R0.280 CCCC(CCC)OCC(C)O 34a_200011218534_100011218427 [0,0,0,0,0,1|3,0,0]=4 429 B11R0.280 CCCC(CCC)OCC(C)O 7a_200011218534_100011218427 [0,0,0,0,0,1|3,0,0]=4 430 B11R0.280 CCCC(CCC)OC[C@@H](C)Cl 34a_100016084084_200011218217 [0,0,0,0,0,1|3,0,0]=4 431 B11R0.280 CCCC(CCC)OC[C@@H](C)N 34a_100000737577_200011218217 [0,0,0,0,0,1|3,0,0]=4 432 B11R0.280 CCCC(CCC)OC[C@@H](C)O 34a_200011218534_100009817552 [0,0,0,0,0,1|3,0,0]=4 433 B11R0.280 CCCC(CCC)OC[C@@H](C)O 7a_200011218534_100009817552 [0,0,0,0,0,1|3,0,0]=4 434 B11R0.280 CCCC(CCC)SCC(C)C 62a_100000210624_200011218217 [0,0,0,0,0,1|2,0,0]=3 435 B11R0.280 CCCC(CCC)SCC(C)C 62a_200011218217_100000210760 [0,0,0,0,0,1|2,0,0]=3 436 B11R0.280 CCCC(CCC)SCC(C)O 62a_100011218427_200011218217 [0,0,0,0,0,1|3,0,0]=4 437 B11R0.280 CCCC(CCC)SCC(C)O 62a_200011218217_100011218427 [0,0,0,0,0,1|3,0,0]=4 438 B11R0.280 CCCC(CCC)SC[C@@H](C)O 62a_100009817552_200011218217 [0,0,0,0,0,1|3,0,0]=4 439 B11R0.280 CCCC(CCC)SC[C@@H](C)O 62a_200011218217_100009817552 [0,0,0,0,0,1|3,0,0]=4 440 B11R0.280 CCCN(CCC)CCC(C)C 2230a_100000210455_100000210312 [0,0,0,0,0,1|3,0,0]=4 441 B11R0.280 CCCN(CCC)CCC(C)C 269982a_100000210455_100000210312 [0,0,0,0,0,1|3,0,0]=4 442 B11R0.280 CCCN(CCC)COC(C)C 2230a_100000210455_100000709892 [0,0,0,0,0,1|3,0,0]=4 443 B11R0.280 CCCN(CCC)COC(C)C 269982a_100000210455_100000709892 [0,0,0,0,0,1|3,0,0]=4 444 B11R0.280 CCC[C@@H](CCO)NCC(C)C 2230a_100015193777_100000210760 [0,0,0,0,0,1|3,0,0]=4 445 B11R0.280 CCC[C@@H](CCO)NCC(C)C 270004a_100015193777_100000210432 [0,0,0,0,0,1|3,0,0]=4 446 B11R0.280 CCC[C@@H](CCO)NCC(C)C 34a_100015193777_100000210624 [0,0,0,0,0,1|3,0,0]=4 447 B11R0.280 CCOC(CCC(=O)C)OCC 1458a_100000070787_100000033671 [0,0,0,0,0,1|1,0,1]=3 448 B11R0.280 CCOC(CCN(C)C)OCC 2230a_100102631434_100000033671 [0,0,0,0,0,1|1,0,0]=2 449 B11R0.280 CCOC(CCN(C)C)OCC 269982a_100102631434_100000033671 [0,0,0,0,0,1|1,0,0]=2 450 B11R0.280 CCOC(CNC(=O)C)OCC 11a_100000211098_100015343762 [0,0,0,0,0,1|1,0,1]=3 451 B11R0.280 CCOC(CNC(=O)C)OCC 1626a_100000211098_100015343762 [0,0,0,0,0,1|1,0,1]=3 452 B11R0.280 CCOC(CNC(=O)C)OCC 240690a_100000211098_100015343762 [0,0,0,0,0,1|1,0,1]=3 453 B11R0.280 CCOC(CNC(=O)C)OCC 527a_100000211098_100103153847 [0,0,0,0,0,1|1,0,1]=3 454 B11R0.280 CCOC(CNC(C)C)OCC 2230a_100138425928_100000210512 [0,0,0,0,0,1|0,0,0]=1 455 B11R0.280 CCOC(CNC(C)C)OCC 34a_100000211098_100000210206 [0,0,0,0,0,1|0,0,0]=1 456 B11R0.280 CCOC(CNC(C)C)OCC 34a_100138425928_100000210512 [0,0,0,0,0,1|0,0,0]=1 457 B11R0.280 CCOC(COC(C)C)OCC 34a_100000212225_100000210512 [0,0,0,0,0,1|0,0,0]=1 458 B11R0.280 CCOC(COC(C)C)OCC 34a_100011216334_100000210206 [0,0,0,0,0,1|0,0,0]=1 459 B11R0.280 CCOC(COC(C)C)OCC 7a_100011216334_100000210206 [0,0,0,0,0,1|0,0,0]=1 460 B11R0.280 CCOC(CSC(C)C)OCC 62a_100000210206_100000210512 [0,0,0,0,0,1|0,0,0]=1 461 B11R0.280 CCOC(CSC(C)C)OCC 62a_100000210512_100000210206 [0,0,0,0,0,1|0,0,0]=1 462 B8R0.5 CC(C)CC(C)OCF 34a_100000211805_100015361967 [2,0,0,0,0,0|1,0,0]=3 463 B8R0.5 CC(C)CC(C)OCF 7a_100000211805_100015361967 [2,0,0,0,0,0|1,0,0]=3 464 B8R0.5 CC(C)CC(C)SCF 62a_100000731052_100015361967 [2,0,0,0,0,0|1,1,0]=4 465 B8R0.5 CC(C)CC(C)SCF 62a_100015361967_100000731052 [2,0,0,0,0,0|1,1,0]=4 466 B8R0.5 CCCC(C)CN(C)C 2230a_100102631434_100011216630 [2,0,0,0,0,0|2,0,0]=4 467 B8R0.5 CCCC(C)CN(C)C 269982a_100102631434_100011216630 [2,0,0,0,0,0|2,0,0]=4 468 B8R0.5 CCCC(C)CN(C)C 270004a_100102631434_100000243154 [2,0,0,0,0,0|2,0,0]=4 469 B8R0.5 CCCC(C)NC(C)C 2230a_100000741246_100000210206 [2,0,0,0,0,0|2,0,0]=4 470 B8R0.5 CCCC(C)NC(C)C 2230a_100138425928_100000766640 [2,0,0,0,0,0|2,0,0]=4 471 B8R0.5 CCCC(C)NC(C)C 34a_100138425928_100000766640 [2,0,0,0,0,0|2,0,0]=4 472 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [2,0,0,0,0,0|2,0,0]=4 473 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [2,0,0,0,0,0|2,0,0]=4 474 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [2,0,0,0,0,0|2,0,0]=4 475 B8R0.5 CCCC(C)SC(C)C 62a_100000210206_100000766640 [2,0,0,0,0,0|2,0,0]=4 476 B8R0.5 CCCC(C)SC(C)C 62a_100000766640_100000210206 [2,0,0,0,0,0|2,0,0]=4 477 B8R0.5 CCCN(C)CC(C)C 2230a_100000747067_100000210303 [2,0,0,0,0,0|2,0,0]=4 478 B8R0.5 CCCN(C)CC(C)C 2230a_100000747261_100000210760 [2,0,0,0,0,0|2,0,0]=4 479 B8R0.5 CCCN(C)CC(C)C 269982a_100000747067_100000210303 [2,0,0,0,0,0|2,0,0]=4 480 B8R0.5 CCCN(C)CC(C)C 269982a_100000747261_100000210624 [2,0,0,0,0,0|2,0,0]=4 481 B8R0.5 CCCN(C)CC(C)C 270004a_100000747261_100000210432 [2,0,0,0,0,0|2,0,0]=4 482 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [2,0,0,0,0,0|1,0,0]=3 483 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [2,0,0,0,0,0|1,0,0]=3 484 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [2,0,0,0,0,0|0,0,2]=4 485 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [2,0,0,0,0,0|0,0,0]=2 486 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [2,0,0,0,0,0|0,0,0]=2 487 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [2,0,0,0,0,0|0,0,0]=2 488 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [2,0,0,0,0,0|0,1,0]=3 489 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [2,0,0,0,0,0|0,1,0]=3 490 B8R0.5 CCSC(C)CN(C)C 62a_100000210202_100020606517 [2,0,0,0,0,0|1,1,0]=4 491 B8R0.5 CCSC(C)CN(C)C 62a_100020606517_100000210202 [2,0,0,0,0,0|1,1,0]=4 492 B8R0.16 C#CC(CC(C)C)OC 34a_100011215986_200000210301 [2,0,0,0,0,0|0,0,2]=4 493 B8R0.16 C#CC(CC(C)C)OC 7a_100011215986_200000210301 [2,0,0,0,0,0|0,0,2]=4 494 B8R0.16 C#CC(CC(C)C)O[13CH3] 34a_100011215986_200025704644 [2,0,0,0,0,0|0,0,2]=4 495 B8R0.16 C#CC(CC(C)C)O[13CH3] 7a_100011215986_200025704644 [2,0,0,0,0,0|0,0,2]=4 496 B8R0.16 C=CC(CC(C)C)OC 34a_100012186643_200000210301 [2,0,0,0,0,0|0,0,2]=4 497 B8R0.16 C=CC(CC(C)C)OC 7a_100012186643_200000210301 [2,0,0,0,0,0|0,0,2]=4 498 B8R0.16 C=CC(CC(C)C)O[13CH3] 34a_100012186643_200025704644 [2,0,0,0,0,0|0,0,2]=4 499 B8R0.16 C=CC(CC(C)C)O[13CH3] 7a_100012186643_200025704644 [2,0,0,0,0,0|0,0,2]=4 500 B8R0.16 CC(C)CC(C#N)O[13CH3] 34a_200011294978_200025704644 [2,0,0,0,0,0|1,0,1]=4 501 B8R0.16 CC(C)CC(C#N)O[13CH3] 7a_200011294978_200025704644 [2,0,0,0,0,0|1,0,1]=4 502 B8R0.16 CC(C)C[C@@H](CO)N[13CH3] 2230a_100011830311_200025704644 [2,0,0,0,0,0|2,0,0]=4 503 B8R0.16 CC(C)C[C@@H](CO)N[13CH3] 34a_100011830311_200025704644 [2,0,0,0,0,0|2,0,0]=4 504 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [2,0,0,0,0,0|1,0,1]=4 505 B8R0.16 CCC(CC)CN(C)C 2230a_100102631434_100011215472 [2,0,0,0,0,0|1,0,0]=3 506 B8R0.16 CCC(CC)CN(C)C 269982a_100102631434_100011215472 [2,0,0,0,0,0|1,0,0]=3 507 B8R0.16 CCC(CC)CN(C)C 270004a_100102631434_100000211137 [2,0,0,0,0,0|1,0,0]=3 508 B8R0.16 CCC(CC)NC(C)C 2230a_100000199018_100000210206 [2,0,0,0,0,0|1,0,0]=3 509 B8R0.16 CCC(CC)OC(C)C 7a_100000688536_100000210206 [2,0,0,0,0,0|1,0,0]=3 510 B8R0.16 CCC(CC)SC(C)C 62a_100000210206_100000210505 [2,0,0,0,0,0|1,0,0]=3 511 B8R0.16 CCC(CC)SC(C)C 62a_100000210505_100000210206 [2,0,0,0,0,0|1,0,0]=3 512 B8R0.16 CCN(CC)CC(C)C 2230a_100000724800_100000210760 [2,0,0,0,0,0|1,0,0]=3 513 B8R0.16 CCN(CC)CC(C)C 2230a_100000738554_100000210202 [2,0,0,0,0,0|1,0,0]=3 514 B8R0.16 CCN(CC)CC(C)C 269956a_100000042499_100000210760 [2,0,0,0,0,0|1,0,0]=3 515 B8R0.16 CCN(CC)CC(C)C 269982a_100000724800_100000210624 [2,0,0,0,0,0|1,0,0]=3 516 B8R0.16 CCN(CC)CC(C)C 269982a_100000738554_100000204670 [2,0,0,0,0,0|1,0,0]=3 517 B8R0.16 CCN(CC)CC(C)C 270004a_100000724800_100000210432 [2,0,0,0,0,0|1,0,0]=3 518 B8R0.16 CCN(CC)CC(C)O 2230a_100000724800_100011218427 [2,0,0,0,0,0|2,0,0]=4 519 B8R0.16 CCN(CC)CC(C)O 269956a_100000042499_100011218427 [2,0,0,0,0,0|2,0,0]=4 520 B8R0.16 CCN(CC)CC(C)O 269982a_100000724800_100011218427 [2,0,0,0,0,0|2,0,0]=4 521 B8R0.16 CCN(CC)C[C@@H](C)O 2230a_100000724800_100009817552 [2,0,0,0,0,0|2,0,0]=4 522 B8R0.16 CCN(CC)C[C@@H](C)O 269956a_100000042499_100009817552 [2,0,0,0,0,0|2,0,0]=4 523 B8R0.16 CCN(CC)C[C@@H](C)O 269982a_100000724800_100009817552 [2,0,0,0,0,0|2,0,0]=4 524 B8R0.16 CCN(CC)C[C@H](C)O 2230a_100000729506_100000210202 [2,0,0,0,0,0|2,0,0]=4 525 B8R0.16 CCN(CC)C[C@H](C)O 269982a_100000729506_100000204670 [2,0,0,0,0,0|2,0,0]=4 526 B8R0.16 CCN(CF)CC(C)C 269982a_100000738554_100015361967 [2,0,0,0,0,0|2,0,0]=4 527 B8R0.16 CC[C@@H](CO)NC(C)C 2230a_100000709445_100000210206 [2,0,0,0,0,0|2,0,0]=4 528 B8R0.16 CN[C@H](CO)CC(C)C 2230a_100011830311_200000210301 [2,0,0,0,0,0|2,0,0]=4 529 B8R0.16 CN[C@H](CO)CC(C)C 34a_100011830311_200000210301 [2,0,0,0,0,0|2,0,0]=4 530 B8R0.16 COC(C#N)CC(C)C 34a_200011294978_200000210301 [2,0,0,0,0,0|1,0,1]=4 531 B8R0.16 COC(C#N)CC(C)C 7a_200011294978_200000210301 [2,0,0,0,0,0|1,0,1]=4 532 B8R0.16 COC(CC(=O)C)OC 1458a_100000070787_100000751394 [2,0,0,0,0,0|1,0,1]=4 533 B8R0.16 COC(CC(=O)C)OC 1458a_100000082724_200000210301 [2,0,0,0,0,0|1,0,1]=4 534 B8R0.16 COC(CC(=O)[13CH3])OC 1458a_100000082724_200025704644 [2,0,0,0,0,0|1,0,1]=4 535 B8R0.16 COC(CN(C)C)OC 2230a_100102631434_100000751394 [2,0,0,0,0,0|1,0,0]=3 536 B8R0.16 COC(CN(C)C)OC 269982a_100000225562_200000210301 [2,0,0,0,0,0|1,0,0]=3 537 B8R0.16 COC(CN(C)C)OC 270004a_100102631434_100000752162 [2,0,0,0,0,0|1,0,0]=3 538 B8R0.16 COC(CN(C)[13CH3])OC 269982a_100000225562_200025704644 [2,0,0,0,0,0|1,0,0]=3 539 B8R0.22 C#CC(CCC)OCC 34a_200011217317_100000210202 [2,0,0,0,0,0|0,0,2]=4 540 B8R0.22 C#CC(CCC)OCC 7a_200011217317_100000210202 [2,0,0,0,0,0|0,0,2]=4 541 B8R0.22 C#CCC(CC)OCC 34a_200011217983_100000210202 [2,0,0,0,0,0|0,0,2]=4 542 B8R0.22 C#CCC(CC)OCC 7a_200011217983_100000210202 [2,0,0,0,0,0|0,0,2]=4 543 B8R0.22 C/C=C/C(CCC)OC 34a_200016264281_200000210301 [2,0,0,0,0,0|1,0,1]=4 544 B8R0.22 C/C=C/C(CCC)OC 7a_200016264281_200000210301 [2,0,0,0,0,0|1,0,1]=4 545 B8R0.22 C/C=C/C(CCC)O[13CH3] 34a_200016264281_200025704644 [2,0,0,0,0,0|1,0,1]=4 546 B8R0.22 C/C=C/C(CCC)O[13CH3] 7a_200016264281_200025704644 [2,0,0,0,0,0|1,0,1]=4 547 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [2,0,0,0,0,0|0,0,2]=4 548 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [2,0,0,0,0,0|0,0,2]=4 549 B8R0.22 CC#CC(CC)OCC 34a_200011219922_100000210202 [2,0,0,0,0,0|0,0,2]=4 550 B8R0.22 CC#CC(CC)OCC 7a_200011219922_100000210202 [2,0,0,0,0,0|0,0,2]=4 551 B8R0.22 CCC(COC)OCF 7a_200011214946_100015361967 [2,0,0,0,0,0|2,0,0]=4 552 B8R0.22 CCCC(C#N)OCC 34a_100000686963_100000210202 [2,0,0,0,0,0|1,0,1]=4 553 B8R0.22 CCCC(C#N)OCC 7a_100000686963_100000210202 [2,0,0,0,0,0|1,0,1]=4 554 B8R0.22 CCCC(CC)NCC 2230a_100000747048_100000210202 [2,0,0,0,0,0|1,0,0]=3 555 B8R0.22 CCCC(CC)NCC 270004a_100015525214_100000687865 [2,0,0,0,0,0|1,0,0]=3 556 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [2,0,0,0,0,0|0,0,0]=2 557 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [2,0,0,0,0,0|0,0,0]=2 558 B8R0.22 CCCC(CC)OCF 34a_100000687864_100015361967 [2,0,0,0,0,0|1,0,0]=3 559 B8R0.22 CCCC(CC)OCF 7a_100000687864_100015361967 [2,0,0,0,0,0|1,0,0]=3 560 B8R0.22 CCCC(CC)SCC 62a_100000210202_100011219200 [2,0,0,0,0,0|0,1,0]=3 561 B8R0.22 CCCC(CC)SCC 62a_100011219200_100000210202 [2,0,0,0,0,0|0,1,0]=3 562 B8R0.22 CCCC(CC)SCF 62a_100011219200_100015361967 [2,0,0,0,0,0|1,1,0]=4 563 B8R0.22 CCCC(CC)SCF 62a_100015361967_100011219200 [2,0,0,0,0,0|1,1,0]=4 564 B8R0.22 CCCC(CCC)NC 2230a_100011207992_200000210301 [2,0,0,0,0,0|2,0,0]=4 565 B8R0.22 CCCC(CCC)NC 270004a_106832991635_100000210088 [2,0,0,0,0,0|2,0,0]=4 566 B8R0.22 CCCC(CCC)NC 34a_100011207992_200000210301 [2,0,0,0,0,0|2,0,0]=4 567 B8R0.22 CCCC(CCC)NC 34a_100102657272_200011218217 [2,0,0,0,0,0|2,0,0]=4 568 B8R0.22 CCCC(CCC)NC 7a_106832991635_200011218217 [2,0,0,0,0,0|2,0,0]=4 569 B8R0.22 CCCC(CCC)N[13CH3] 2230a_100011207992_200025704644 [2,0,0,0,0,0|2,0,0]=4 570 B8R0.22 CCCC(CCC)N[13CH3] 34a_100011207992_200025704644 [2,0,0,0,0,0|2,0,0]=4 571 B8R0.22 CCCC(CCC)OC 34a_100138415774_200011218217 [2,0,0,0,0,0|1,0,0]=3 572 B8R0.22 CCCC(CCC)OC 34a_200011218534_200000210301 [2,0,0,0,0,0|1,0,0]=3 573 B8R0.22 CCCC(CCC)OC 7a_200011218534_200000210301 [2,0,0,0,0,0|1,0,0]=3 574 B8R0.22 CCCC(CCC)O[13CH3] 34a_200011218534_200025704644 [2,0,0,0,0,0|1,0,0]=3 575 B8R0.22 CCCC(CCC)O[13CH3] 7a_200011218534_200025704644 [2,0,0,0,0,0|1,0,0]=3 576 B8R0.22 CCCC(CCC)SC 62a_200000210301_200011218217 [2,0,0,0,0,0|1,1,0]=4 577 B8R0.22 CCCC(CCC)SC 62a_200011218217_200000210301 [2,0,0,0,0,0|1,1,0]=4 578 B8R0.22 CCCC(CCC)S[13CH3] 62a_200011218217_200025704644 [2,0,0,0,0,0|1,1,0]=4 579 B8R0.22 CCCC(CCC)S[13CH3] 62a_200025704644_200011218217 [2,0,0,0,0,0|1,1,0]=4 580 B8R0.22 CCCN(CC)CCC 2230a_100000210455_100000210202 [2,0,0,0,0,0|2,0,0]=4 581 B8R0.22 CCCN(CC)CCC 2230a_100000226822_100000210303 [2,0,0,0,0,0|2,0,0]=4 582 B8R0.22 CCCN(CC)CCC 269982a_100000210455_100000204670 [2,0,0,0,0,0|2,0,0]=4 583 B8R0.22 CCCN(CC)CCC 269982a_100000226822_100000210303 [2,0,0,0,0,0|2,0,0]=4 584 B8R0.22 CCC[C@@H](CO)NCC 2230a_100000732646_100000210202 [2,0,0,0,0,0|2,0,0]=4 585 B8R0.22 CCC[C@@H](CO)NCC 34a_100000732646_100000210202 [2,0,0,0,0,0|2,0,0]=4 586 B8R0.22 CCNC(CC)COC 2230a_100000757820_100000210202 [2,0,0,0,0,0|2,0,0]=4 587 B8R0.22 CCNC(CC)COC 270004a_100015525214_100000757811 [2,0,0,0,0,0|2,0,0]=4 588 B8R0.22 CCOC(CC)CNC 2230a_100015183923_200000210301 [2,0,0,0,0,0|1,0,0]=3 589 B8R0.22 CCOC(CC)CNC 34a_100015183923_200000210301 [2,0,0,0,0,0|1,0,0]=3 590 B8R0.22 CCOC(CC)CN[13CH3] 2230a_100015183923_200025704644 [2,0,0,0,0,0|1,0,0]=3 591 B8R0.22 CCOC(CC)CN[13CH3] 34a_100015183923_200025704644 [2,0,0,0,0,0|1,0,0]=3 592 B8R0.22 CCOC(CC)COC 7a_200011214946_100000210202 [2,0,0,0,0,0|1,0,0]=3 593 B8R0.22 CCOC(CCl)COC 34a_100011215053_100000210202 [2,0,0,0,0,0|2,0,0]=4 594 B8R0.22 CCOC(CN)COC 34a_100000756049_100000210202 [2,0,0,0,0,0|2,0,0]=4 595 B10R0.8 CCCC(CC)OC(C)(C)C 34a_100000687864_100000210625 [1,1,0,0,0,0|2,0,0]=4 596 B10R0.8 CCCC(CC)OC(C)(C)C 7a_100015890283_100011219200 [1,1,0,0,0,0|2,0,0]=4 597 B10R0.8 CCCC(CC)SC(C)(C)C 62a_100000211941_100011219200 [1,1,0,0,0,0|2,0,0]=4 598 B10R0.8 CCCC(CC)SC(C)(C)C 62a_100011219200_100000211941 [1,1,0,0,0,0|2,0,0]=4 599 B10R0.8 CCCN(CC)CC(C)(C)C 2230a_100000732750_100000210303 [1,1,0,0,0,0|2,0,0]=4 600 B10R0.8 CCCN(CC)CC(C)(C)C 2230a_107254831479_100000210202 [1,1,0,0,0,0|2,0,0]=4 601 B10R0.8 CCCN(CC)CC(C)(C)C 269982a_100000732750_100000210303 [1,1,0,0,0,0|2,0,0]=4 602 B10R0.8 CCCN(CC)CC(C)(C)C 269982a_107254831479_100000204670 [1,1,0,0,0,0|2,0,0]=4 603 B10R0.8 CCCN(CC)CC(C)(C)C 270004a_100000226822_100011204126 [1,1,0,0,0,0|2,0,0]=4 604 B10R0.8 CCCN(CC)CC(C)(C)O 2230a_100000755687_100000210303 [1,1,0,0,0,0|2,0,0]=4 605 B10R0.8 CCCN(CC)CC(C)(C)O 269982a_100000755687_100000210303 [1,1,0,0,0,0|2,0,0]=4 606 B10R0.8 CCOC(CC)CC(F)(F)F 34a_100121572206_100011097794 [1,1,0,0,0,0|2,0,0]=4 607 B10R0.23 CC(C)CC(OCF)C(C)C 34a_200011219802_100015361967 [1,1,0,0,0,0|1,0,0]=3 608 B10R0.23 CC(C)CC(OCF)C(C)C 7a_200011219802_100015361967 [1,1,0,0,0,0|1,0,0]=3 609 B10R0.23 CCCC(OC(C)C)C(C)C 34a_200011215069_100000210206 [1,1,0,0,0,0|2,0,0]=4 610 B10R0.23 CCCC(OC(C)C)C(C)C 7a_200011215069_100000210206 [1,1,0,0,0,0|2,0,0]=4 611 B10R0.23 CCCN(CC(C)C)C(C)C 2230a_100000737641_100000210303 [1,1,0,0,0,0|2,0,0]=4 612 B10R0.23 CCCN(CC(C)C)C(C)C 2230a_106256033942_100000210760 [1,1,0,0,0,0|2,0,0]=4 613 B10R0.23 CCCN(CC(C)C)C(C)C 269982a_100000737641_100000210303 [1,1,0,0,0,0|2,0,0]=4 614 B10R0.23 CCCN(CC(C)C)C(C)C 269982a_106256033942_100000210624 [1,1,0,0,0,0|2,0,0]=4 615 B10R0.23 CCCN(CC(C)C)C(C)C 270004a_106256033942_100000210432 [1,1,0,0,0,0|2,0,0]=4 616 B10R0.23 CCOC(CC(C)C)C(C)C 34a_200011219802_100000210202 [1,1,0,0,0,0|0,0,0]=2 617 B10R0.23 CCOC(CC(C)C)C(C)C 7a_200011219802_100000210202 [1,1,0,0,0,0|0,0,0]=2 618 B10R0.23 CCOC(OC(C)C)C(F)F 34a_100000038436_100000210206 [1,1,0,0,0,0|2,0,0]=4 619 B10R0.23 CCOC(OC(C)C)C(F)F 7a_100000038436_100000210206 [1,1,0,0,0,0|2,0,0]=4 620 B10R0.25 CCCC(CC)C(=O)C(C)C 1458a_100000210198_100011219200 [1,1,0,0,0,0|1,0,1]=4 621 B10R0.25 CCCC(CC)C(=O)C(C)C 1458a_100011416436_100000210206 [1,1,0,0,0,0|1,0,1]=4 622 B10R0.25 CCCC(CC)N(C)C(C)C 269982a_200000211004_100011219200 [1,1,0,0,0,0|2,0,0]=4 623 B10R0.25 CCCC(CC)N(C)C(C)C 270004a_200000211004_100000687865 [1,1,0,0,0,0|2,0,0]=4 624 B10R0.25 CCCN(CC)C(C)C(C)C 2230a_100000746363_100000210303 [1,1,0,0,0,0|2,0,0]=4 625 B10R0.25 CCCN(CC)C(C)C(C)C 2230a_200015185082_100000210202 [1,1,0,0,0,0|2,0,0]=4 626 B10R0.25 CCCN(CC)C(C)C(C)C 269982a_100000746363_100000210303 [1,1,0,0,0,0|2,0,0]=4 627 B10R0.25 CCCN(CC)C(C)C(C)C 269982a_200015185082_100000204670 [1,1,0,0,0,0|2,0,0]=4 628 B10R0.25 CCOC(CC)C(=O)N(C)C 34a_100121572206_100011763435 [1,1,0,0,0,0|1,0,1]=4 629 B10R0.29 CCC(C)CC(CC)OCF 7a_200011216566_100015361967 [1,1,0,0,0,0|1,0,0]=3 630 B10R0.29 CCCC(CC)NC(C)CC 2230a_100000747048_100000758301 [1,1,0,0,0,0|2,0,0]=4 631 B10R0.29 CCCC(CC)NC(C)CC 270004a_100000209981_100000687865 [1,1,0,0,0,0|2,0,0]=4 632 B10R0.29 CCCC(CC)NC(C)CO 2230a_100000747048_100012180447 [1,1,0,0,0,0|2,0,0]=4 633 B10R0.29 CCCC(CC)N[C@H](C)CF 270004a_100102880703_100000687865 [1,1,0,0,0,0|2,0,0]=4 634 B10R0.29 CCCC(CC)N[C@H](C)CO 270004a_100000737577_100000687865 [1,1,0,0,0,0|2,0,0]=4 635 B10R0.29 CCCC(CC)OC(C)CC 34a_100000687864_100011215416 [1,1,0,0,0,0|2,0,0]=4 636 B10R0.29 CCCC(CC)OC(C)CC 7a_100000210228_100011219200 [1,1,0,0,0,0|2,0,0]=4 637 B10R0.29 CCCC(CC)OC(C)CC 7a_100000687864_100000758301 [1,1,0,0,0,0|2,0,0]=4 638 B10R0.29 CCCC(CC)OC(C)CF 7a_100016041109_100011219200 [1,1,0,0,0,0|2,0,0]=4 639 B10R0.29 CCCC(CC)OC(C)CO 34a_100000687864_100012180447 [1,1,0,0,0,0|2,0,0]=4 640 B10R0.29 CCCC(CC)OC(C)CO 7a_100000687864_100012180447 [1,1,0,0,0,0|2,0,0]=4 641 B10R0.29 CCCC(CC)SC(C)CC 62a_100000758301_100011219200 [1,1,0,0,0,0|2,0,0]=4 642 B10R0.29 CCCC(CC)SC(C)CC 62a_100011219200_100000758301 [1,1,0,0,0,0|2,0,0]=4 643 B10R0.29 CCCC(CC)SC(C)CO 62a_100012180447_100011219200 [1,1,0,0,0,0|2,0,0]=4 644 B10R0.29 CCCC(CC)SC(C)OC 62a_100009879195_100011219200 [1,1,0,0,0,0|2,0,0]=4 645 B10R0.29 CCCC(CC)SC(C)OC 62a_100011219200_100009879195 [1,1,0,0,0,0|2,0,0]=4 646 B10R0.29 CCCC(CC)S[C@H](C)CO 62a_100011219200_100016084084 [1,1,0,0,0,0|2,0,0]=4 647 B10R0.29 CCCC(CC)S[C@H](C)CO 62a_100016084084_100011219200 [1,1,0,0,0,0|2,0,0]=4 648 B10R0.29 CCCN(CC)CC(C)CC 2230a_100000226822_100000748023 [1,1,0,0,0,0|2,0,0]=4 649 B10R0.29 CCCN(CC)CC(C)CC 269982a_100000226822_100000748023 [1,1,0,0,0,0|2,0,0]=4 650 B10R0.29 CCCN(CC)CC(C)CC 270004a_100000226822_100000243153 [1,1,0,0,0,0|2,0,0]=4 651 B10R0.29 CCCN(CC)C[C@@H](C)CC 2230a_100000226822_100009816398 [1,1,0,0,0,0|2,0,0]=4 652 B10R0.29 CCCN(CC)C[C@@H](C)CC 269982a_100000226822_100009816398 [1,1,0,0,0,0|2,0,0]=4 653 B10R0.29 CCCN(CC)C[C@@H](C)CO 2230a_100000226822_100000059175 [1,1,0,0,0,0|2,0,0]=4 654 B10R0.29 CCCN(CC)C[C@@H](C)CO 269982a_100000226822_100000059175 [1,1,0,0,0,0|2,0,0]=4 655 B10R0.29 CCNC(CC)CC(C)CC 270004a_100015525214_100000184709 [1,1,0,0,0,0|1,0,0]=3 656 B10R0.29 CCOC(CC)CC(C)CC 7a_200011216566_100000210202 [1,1,0,0,0,0|0,0,0]=2 657 B10R0.29 CCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210202 [1,1,0,0,0,0|1,0,1]=4 658 B10R0.54 CCC(=O)C(CC)OC(C)C 34a_200011218131_100000210206 [1,1,0,0,0,0|2,0,0]=4 659 B10R0.54 CCC(=O)C(CC)OC(C)C 7a_200011218131_100000210206 [1,1,0,0,0,0|2,0,0]=4 660 B10R0.54 CCC(=O)N(CC)CC(C)C 11a_100000738554_100000210414 [1,1,0,0,0,0|2,0,0]=4 661 B10R0.54 CCC(=O)N(CC)CC(C)C 1626a_100000738554_100000210414 [1,1,0,0,0,0|2,0,0]=4 662 B10R0.54 CCC(=O)N(CC)CC(C)C 240690a_100000738554_100000210414 [1,1,0,0,0,0|2,0,0]=4 663 B10R0.54 CCC(=O)N(CC)CC(C)C 527a_100000738554_100000210414 [1,1,0,0,0,0|2,0,0]=4 664 B10R0.54 CCC(C)N(CC)CC(C)C 2230a_100000732650_100000210760 [1,1,0,0,0,0|2,0,0]=4 665 B10R0.54 CCC(C)N(CC)CC(C)C 2230a_100000738554_100000758301 [1,1,0,0,0,0|2,0,0]=4 666 B10R0.54 CCC(C)N(CC)CC(C)C 269982a_100000732650_100000210624 [1,1,0,0,0,0|2,0,0]=4 667 B10R0.54 CCC(C)N(CC)CC(C)C 269982a_100000738554_100000758301 [1,1,0,0,0,0|2,0,0]=4 668 B10R0.54 CCC(C)N(CC)CC(C)C 270004a_100000732650_100000210432 [1,1,0,0,0,0|2,0,0]=4 669 B10R0.54 COC(=O)[C@@H](CC(C)C)OC 34a_100014169393_200000210301 [1,1,0,0,0,0|2,0,0]=4 670 B10R0.54 COC(=O)[C@@H](CC(C)C)OC 7a_100014169393_200000210301 [1,1,0,0,0,0|2,0,0]=4 671 B10R0.54 COC(=O)[C@@H](CC(C)C)O[13CH3] 34a_100014169393_200025704644 [1,1,0,0,0,0|2,0,0]=4 672 B10R0.54 COC(=O)[C@@H](CC(C)C)O[13CH3] 7a_100014169393_200025704644 [1,1,0,0,0,0|2,0,0]=4 673 B10R0.70 C#CC(CC(C)C)OC(C)C 34a_100011215986_100000210206 [1,1,0,0,0,0|0,0,2]=4 674 B10R0.70 C#CC(CC(C)C)OC(C)C 7a_100011215986_100000210206 [1,1,0,0,0,0|0,0,2]=4 675 B10R0.70 C=CC(CC(C)C)OC(C)C 34a_100012186643_100000210206 [1,1,0,0,0,0|0,0,2]=4 676 B10R0.70 C=CC(CC(C)C)OC(C)C 7a_100012186643_100000210206 [1,1,0,0,0,0|0,0,2]=4 677 B10R0.70 CC(C)CC(C#N)OC(C)C 34a_200011294978_100000210206 [1,1,0,0,0,0|1,0,1]=4 678 B10R0.70 CC(C)CC(C#N)OC(C)C 7a_200011294978_100000210206 [1,1,0,0,0,0|1,0,1]=4 679 B10R0.70 CC(C)CC(CC(C)C)N[13CH3] 2230a_100000751966_200025704644 [1,1,0,0,0,0|2,0,0]=4 680 B10R0.70 CC(C)CC(CC(C)C)O[13CH3] 34a_100011219621_200025704644 [1,1,0,0,0,0|1,0,0]=3 681 B10R0.70 CC(C)CC(CC(C)C)O[13CH3] 7a_100011219621_200025704644 [1,1,0,0,0,0|1,0,0]=3 682 B10R0.70 CC(C)C[C@@H](CO)NC(C)C 2230a_100011830311_100000210206 [1,1,0,0,0,0|2,0,0]=4 683 B10R0.70 CC(C)C[C@@H](CO)NC(C)C 34a_100011830311_100000210206 [1,1,0,0,0,0|2,0,0]=4 684 B10R0.70 CCN(CC(C)C)CC(C)C 2230a_100000201412_100000210202 [1,1,0,0,0,0|2,0,0]=4 685 B10R0.70 CCN(CC(C)C)CC(C)C 2230a_100000738554_100000210760 [1,1,0,0,0,0|2,0,0]=4 686 B10R0.70 CCN(CC(C)C)CC(C)C 269982a_100000201412_100000204670 [1,1,0,0,0,0|2,0,0]=4 687 B10R0.70 CCN(CC(C)C)CC(C)C 269982a_100000738554_100000210624 [1,1,0,0,0,0|2,0,0]=4 688 B10R0.70 CCN(CC(C)C)CC(C)C 270004a_100000738554_100000210432 [1,1,0,0,0,0|2,0,0]=4 689 B10R0.70 CCN(CC(C)C)CC(C)C 34a_100000201412_100000210202 [1,1,0,0,0,0|2,0,0]=4 690 B10R0.70 CCN(CC(C)C)CC(C)O 2230a_100000738554_100011218427 [1,1,0,0,0,0|2,0,0]=4 691 B10R0.70 CCN(CC(C)C)CC(C)O 269982a_100000738554_100011218427 [1,1,0,0,0,0|2,0,0]=4 692 B10R0.70 CCN(CC(C)C)C[C@@H](C)O 2230a_100000738554_100009817552 [1,1,0,0,0,0|2,0,0]=4 693 B10R0.70 CCN(CC(C)C)C[C@@H](C)O 269982a_100000738554_100009817552 [1,1,0,0,0,0|2,0,0]=4 694 B10R0.70 CCN(CC(C)C)C[C@H](C)O 2230a_100000729506_100000210760 [1,1,0,0,0,0|2,0,0]=4 695 B10R0.70 CCN(CC(C)C)C[C@H](C)O 269982a_100000729506_100000210624 [1,1,0,0,0,0|2,0,0]=4 696 B10R0.70 CCN(CC(C)C)C[C@H](C)O 270004a_100000729506_100000210432 [1,1,0,0,0,0|2,0,0]=4 697 B10R0.70 CNC(CC(C)C)CC(C)C 2230a_100000751966_200000210301 [1,1,0,0,0,0|2,0,0]=4 698 B10R0.70 COC(CC(C)C)CC(C)C 34a_100011219621_200000210301 [1,1,0,0,0,0|1,0,0]=3 699 B10R0.70 COC(CC(C)C)CC(C)C 7a_100011219621_200000210301 [1,1,0,0,0,0|1,0,0]=3 700 B10R0.87 C#CC(CC(C)C)OCCC 34a_100011215986_100000210303 [1,1,0,0,0,0|0,0,2]=4 701 B10R0.87 C#CC(CC(C)C)OCCC 7a_100011215986_100000210303 [1,1,0,0,0,0|0,0,2]=4 702 B10R0.87 C#CC(CC(C)C)OCCF 34a_100011215986_100011217306 [1,1,0,0,0,0|0,0,2]=4 703 B10R0.87 C#CC(CC(C)C)OCCF 7a_100011215986_100011217306 [1,1,0,0,0,0|0,0,2]=4 704 B10R0.87 C#CC(CC(C)C)OCCO 34a_100011215986_100000211926 [1,1,0,0,0,0|0,0,2]=4 705 B10R0.87 C#CC(CC(C)C)OCCO 7a_100011215986_100000211926 [1,1,0,0,0,0|0,0,2]=4 706 B10R0.87 C#CC(CC(C)C)OCSC 34a_100011215986_100011218213 [1,1,0,0,0,0|0,0,2]=4 707 B10R0.87 C=CC(CC(C)C)OCCC 34a_100012186643_100000210303 [1,1,0,0,0,0|0,0,2]=4 708 B10R0.87 C=CC(CC(C)C)OCCC 7a_100012186643_100000210303 [1,1,0,0,0,0|0,0,2]=4 709 B10R0.87 C=CC(CC(C)C)OCCF 34a_100012186643_100011217306 [1,1,0,0,0,0|0,0,2]=4 710 B10R0.87 C=CC(CC(C)C)OCCF 7a_100012186643_100011217306 [1,1,0,0,0,0|0,0,2]=4 711 B10R0.87 C=CC(CC(C)C)OCCO 34a_100012186643_100000211926 [1,1,0,0,0,0|0,0,2]=4 712 B10R0.87 C=CC(CC(C)C)OCCO 7a_100012186643_100000211926 [1,1,0,0,0,0|0,0,2]=4 713 B10R0.87 C=CC(CC(C)C)OCSC 34a_100012186643_100011218213 [1,1,0,0,0,0|0,0,2]=4 714 B10R0.87 CC(C)CC(C#N)OCCF 34a_200011294978_100011217306 [1,1,0,0,0,0|1,0,1]=4 715 B10R0.87 CC(C)CC(C#N)OCCF 7a_200011294978_100011217306 [1,1,0,0,0,0|1,0,1]=4 716 B10R0.87 CC(C)CC(C#N)OCCO 34a_200011294978_100000211926 [1,1,0,0,0,0|1,0,1]=4 717 B10R0.87 CC(C)CC(C#N)OCCO 7a_200011294978_100000211926 [1,1,0,0,0,0|1,0,1]=4 718 B10R0.87 CC(C)CC(CN)COCF 34a_200000723437_100015361967 [1,1,0,0,0,0|2,0,0]=4 719 B10R0.87 CC(C)C[C@@H](CO)NCCF 2230a_100011830311_100011217306 [1,1,0,0,0,0|2,0,0]=4 720 B10R0.87 CC(C)C[C@@H](CO)NCCF 34a_100011830311_100011217306 [1,1,0,0,0,0|2,0,0]=4 721 B10R0.87 CC(C)C[C@@H](CO)NCCO 2230a_100011830311_100000211926 [1,1,0,0,0,0|2,0,0]=4 722 B10R0.87 CC(C)C[C@@H](CO)NCCO 34a_100011830311_100000211926 [1,1,0,0,0,0|2,0,0]=4 723 B10R0.87 CCC#CC(CC(C)C)OC 34a_200000035896_200000210301 [1,1,0,0,0,0|1,0,0]=3 724 B10R0.87 CCC#CC(CC(C)C)OC 7a_200000035896_200000210301 [1,1,0,0,0,0|1,0,0]=3 725 B10R0.87 CCC#CC(CC(C)C)O[13CH3] 34a_200000035896_200025704644 [1,1,0,0,0,0|1,0,0]=3 726 B10R0.87 CCC#CC(CC(C)C)O[13CH3] 7a_200000035896_200025704644 [1,1,0,0,0,0|1,0,0]=3 727 B10R0.87 CCC(COCF)CC(C)C 34a_100012186708_100015361967 [1,1,0,0,0,0|1,0,0]=3 728 B10R0.87 CCC(COCF)CC(C)C 7a_100012186708_100015361967 [1,1,0,0,0,0|1,0,0]=3 729 B10R0.87 CCCCC(CC)CN(C)C 2230a_100102631434_100000211942 [1,1,0,0,0,0|2,0,0]=4 730 B10R0.87 CCCCC(CC)CN(C)C 269982a_100102631434_100000211942 [1,1,0,0,0,0|2,0,0]=4 731 B10R0.87 CCCCC(CC)CN(C)C 270004a_100102631434_100011219736 [1,1,0,0,0,0|2,0,0]=4 732 B10R0.87 CCCCC(CC)NC(C)C 34a_100138425928_200011216223 [1,1,0,0,0,0|2,0,0]=4 733 B10R0.87 CCCCC(CC)OC(C)C 34a_100000212225_200011216223 [1,1,0,0,0,0|2,0,0]=4 734 B10R0.87 CCCCC(CC)OC(C)C 34a_100011215227_100000210206 [1,1,0,0,0,0|2,0,0]=4 735 B10R0.87 CCCCC(CC)OC(C)C 7a_100011215227_100000210206 [1,1,0,0,0,0|2,0,0]=4 736 B10R0.87 CCCCC(CC)SC(C)C 62a_100000210206_200011216223 [1,1,0,0,0,0|2,0,0]=4 737 B10R0.87 CCCCC(CC)SC(C)C 62a_200011216223_100000210206 [1,1,0,0,0,0|2,0,0]=4 738 B10R0.87 CCCCN(CC)CC(C)C 2230a_100000207695_100000210760 [1,1,0,0,0,0|2,0,0]=4 739 B10R0.87 CCCCN(CC)CC(C)C 2230a_100000738554_100000210211 [1,1,0,0,0,0|2,0,0]=4 740 B10R0.87 CCCCN(CC)CC(C)C 269982a_100000207695_100000210624 [1,1,0,0,0,0|2,0,0]=4 741 B10R0.87 CCCCN(CC)CC(C)C 269982a_100000738554_100000210211 [1,1,0,0,0,0|2,0,0]=4 742 B10R0.87 CCCCN(CC)CC(C)C 270004a_100000207695_100000210432 [1,1,0,0,0,0|2,0,0]=4 743 B10R0.87 CCCN[C@H](CO)CC(C)C 2230a_100011830311_100000210303 [1,1,0,0,0,0|2,0,0]=4 744 B10R0.87 CCCN[C@H](CO)CC(C)C 34a_100011830311_100000210303 [1,1,0,0,0,0|2,0,0]=4 745 B10R0.87 CCCOC(C#N)CC(C)C 34a_200011294978_100000210303 [1,1,0,0,0,0|1,0,1]=4 746 B10R0.87 CCCOC(C#N)CC(C)C 7a_200011294978_100000210303 [1,1,0,0,0,0|1,0,1]=4 747 B10R0.87 CCN(CCCF)CC(C)C 2230a_100000738554_100011934791 [1,1,0,0,0,0|2,0,0]=4 748 B10R0.87 CCN(CCCF)CC(C)C 269982a_100000738554_100011934791 [1,1,0,0,0,0|2,0,0]=4 749 B10R0.87 CCN(CCCO)CC(C)C 2230a_100000738554_100000230001 [1,1,0,0,0,0|2,0,0]=4 750 B10R0.87 CCN(CCCO)CC(C)C 269982a_100000738554_100011215043 [1,1,0,0,0,0|2,0,0]=4 751 B10R0.87 CCN(CCOC)CC(C)C 2230a_100000731262_100000210760 [1,1,0,0,0,0|2,0,0]=4 752 B10R0.87 CCN(CCOC)CC(C)C 2230a_100000738554_100011201679 [1,1,0,0,0,0|2,0,0]=4 753 B10R0.87 CCN(CCOC)CC(C)C 269982a_100000731262_100000210624 [1,1,0,0,0,0|2,0,0]=4 754 B10R0.87 CCN(CCOC)CC(C)C 269982a_100000738554_100000233755 [1,1,0,0,0,0|2,0,0]=4 755 B10R0.87 CCN(CCOC)CC(C)C 270004a_100000731262_100000210432 [1,1,0,0,0,0|2,0,0]=4 756 B10R0.87 CCN(CCSC)CC(C)C 2230a_100000738554_100000751147 [1,1,0,0,0,0|2,0,0]=4 757 B10R0.87 CCN(CCSC)CC(C)C 269982a_100000738554_100000212216 [1,1,0,0,0,0|2,0,0]=4 758 B10R0.87 CCNCC(CO)CC(C)C 34a_200000723437_100000210202 [1,1,0,0,0,0|2,0,0]=4 759 B10R0.87 CCNN=C(CC)CC(C)C 4a_100000756455_100011218768 [1,1,0,0,0,0|1,0,1]=4 760 B10R0.87 CCOCC(CC)CC(C)C 34a_100012186708_100000210202 [1,1,0,0,0,0|0,0,0]=2 761 B10R0.87 CCOCC(CC)CC(C)C 7a_100012186708_100000210202 [1,1,0,0,0,0|0,0,0]=2 762 B10R0.87 CCOCC(CN)CC(C)C 34a_200000723437_100000210202 [1,1,0,0,0,0|1,0,0]=3 763 B10R0.87 CCOCC(CN)OC(C)C 34a_102515437182_100000210206 [1,1,0,0,0,0|2,0,0]=4 764 B10R0.87 CCOCN(CC)CC(C)C 269982a_100000738554_100000739092 [1,1,0,0,0,0|1,0,0]=3 765 B10R0.87 CCOCN(CC)C[C@H](C)O 269982a_100000729506_100000739092 [1,1,0,0,0,0|2,0,0]=4 766 B10R0.87 COCN[C@H](CO)CC(C)C 2230a_100011830311_100000766300 [1,1,0,0,0,0|2,0,0]=4 767 B10R0.87 CSCN[C@H](CO)CC(C)C 2230a_100011830311_100011218213 [1,1,0,0,0,0|2,0,0]=4 768 B10R0.87 CSCN[C@H](CO)CC(C)C 34a_100011830311_100011218213 [1,1,0,0,0,0|2,0,0]=4 769 B10R0.87 CSCOC(C#N)CC(C)C 34a_200011294978_100011218213 [1,1,0,0,0,0|1,0,1]=4 770 B10R0.102 C#CC(C)(CC(C)C)OCC 34a_100011215516_100000210202 [1,1,0,0,0,0|0,0,2]=4 771 B10R0.102 C#CC(C)(CC(C)C)OCC 7a_100011215516_100000210202 [1,1,0,0,0,0|0,0,2]=4 772 B10R0.102 CCC(C)(CC(C)C)OCF 7a_200011215086_100015361967 [1,1,0,0,0,0|1,0,0]=3 773 B10R0.102 CCCC(C)(CC)OC(C)C 7a_200011215934_100000210206 [1,1,0,0,0,0|2,0,0]=4 774 B10R0.102 CCCC(C)(CC)SC(C)C 62a_100000210206_200000040151 [1,1,0,0,0,0|2,0,0]=4 775 B10R0.102 CCCC(C)(CC)SC(C)C 62a_200000040151_100000210206 [1,1,0,0,0,0|2,0,0]=4 776 B10R0.102 CCOC(C)(CC)CC(C)C 7a_200011215086_100000210202 [1,1,0,0,0,0|0,0,0]=2 777 B10R0.73 CCCC(CCC)C(=O)CC 1458a_100000210414_200011218217 [1,1,0,0,0,0|2,0,0]=4 778 B10R0.73 CCCC(CCC)C(=O)CC 1458a_100011215354_100000210202 [1,1,0,0,0,0|2,0,0]=4 779 B10R0.73 CCCC(CCC)N(C)CC 269982a_100000225621_200011218217 [1,1,0,0,0,0|2,0,0]=4 780 B10R0.73 CCCC(NCC)C(C)CC 270004a_100015525214_100011218362 [1,1,0,0,0,0|2,0,0]=4 781 B10R0.73 CCCC(OCC)C(=O)OC 34a_100121572206_200009843822 [1,1,0,0,0,0|2,0,0]=4 782 B10R0.73 CCCC(OCC)C(C)CC 34a_100011215975_100000210202 [1,1,0,0,0,0|1,0,0]=3 783 B10R0.73 CCCC(OCC)C(C)CC 7a_100011215975_100000210202 [1,1,0,0,0,0|1,0,0]=3 784 B10R0.73 CCCC(OCF)C(C)CC 34a_100011215975_100015361967 [1,1,0,0,0,0|2,0,0]=4 785 B10R0.73 CCCC(OCF)C(C)CC 7a_100011215975_100015361967 [1,1,0,0,0,0|2,0,0]=4 786 B10R0.73 CCOC(OCC)C(=O)CC 1458a_100000082760_100000210202 [1,1,0,0,0,0|0,0,1]=3 787 B10R0.73 CCOC(OCC)C(=O)CF 1458a_100000082760_100015361967 [1,1,0,0,0,0|1,0,1]=4 788 B10R0.73 CCOC(OCC)C(=O)NC 11a_106832991635_100000082760 [1,1,0,0,0,0|1,0,1]=4 789 B10R0.73 CCOC(OCC)C(=O)NC 1626a_100102657272_100000082760 [1,1,0,0,0,0|1,0,1]=4 790 B10R0.73 CCOC(OCC)C(=O)NC 240690a_100102657272_100000082760 [1,1,0,0,0,0|1,0,1]=4 791 B10R0.73 CCOC(OCC)C(=O)NC 527a_100102657272_100000082760 [1,1,0,0,0,0|1,0,1]=4 792 B10R0.73 CCOC(OCC)C(C)NC 34a_100102657272_100009815656 [1,1,0,0,0,0|1,0,0]=3 793 B10R0.73 CCOC(OCC)C(C)OC 34a_100138415774_100009815656 [1,1,0,0,0,0|1,0,0]=3 794 B10R0.73 CCOC(OCC)C(C)SC 62a_100009815656_200000210301 [1,1,0,0,0,0|1,0,0]=3 795 B10R0.73 CCOC(OCC)C(C)SC 62a_200000210301_100009815656 [1,1,0,0,0,0|1,0,0]=3 796 B10R0.73 CCOC(OCC)C(C)S[13CH3] 62a_100009815656_200025704644 [1,1,0,0,0,0|1,0,0]=3 797 B10R0.73 CCOC(OCC)C(C)S[13CH3] 62a_200025704644_100009815656 [1,1,0,0,0,0|1,0,0]=3 798 B10R0.90 C#CCOC(CCC)CCC 34a_100000210247_200011218217 [1,1,0,0,0,0|1,0,1]=4 799 B10R0.90 C#CCOC(CCC)CCC 34a_200011218534_100000184674 [1,1,0,0,0,0|1,0,1]=4 800 B10R0.90 C#CCOC(CCC)CCC 7a_200011218534_100000038162 [1,1,0,0,0,0|1,0,1]=4 801 B10R0.90 C/C=C/C(CCC)OCCC 34a_200016264281_100000210303 [1,1,0,0,0,0|1,0,1]=4 802 B10R0.90 C/C=C/C(CCC)OCCC 7a_200016264281_100000210303 [1,1,0,0,0,0|1,0,1]=4 803 B10R0.90 C/C=C/C(CCC)OCCF 34a_200016264281_100011217306 [1,1,0,0,0,0|1,0,1]=4 804 B10R0.90 C/C=C/C(CCC)OCCF 7a_200016264281_100011217306 [1,1,0,0,0,0|1,0,1]=4 805 B10R0.90 C/C=C/C(CCC)OCCO 34a_200016264281_100000211926 [1,1,0,0,0,0|1,0,1]=4 806 B10R0.90 C/C=C/C(CCC)OCCO 7a_200016264281_100000211926 [1,1,0,0,0,0|1,0,1]=4 807 B10R0.90 C/C=C/C(CCC)OCSC 34a_200016264281_100011218213 [1,1,0,0,0,0|1,0,1]=4 808 B10R0.90 C=CCOC(CCC)CCC 34a_200000210373_200011218217 [1,1,0,0,0,0|1,0,1]=4 809 B10R0.90 C=CCOC(CCC)CCC 34a_200011218534_100015514636 [1,1,0,0,0,0|1,0,1]=4 810 B10R0.90 C=CCOC(CCC)CCC 7a_200011218534_100015514636 [1,1,0,0,0,0|1,0,1]=4 811 B10R0.90 CCCC(CCC)COCC 34a_200011215456_100000210202 [1,1,0,0,0,0|1,0,0]=3 812 B10R0.90 CCCC(CCC)COCC 7a_200011215456_100000210202 [1,1,0,0,0,0|1,0,0]=3 813 B10R0.90 CCCC(CCC)COCF 34a_200011215456_100015361967 [1,1,0,0,0,0|2,0,0]=4 814 B10R0.90 CCCC(CCC)COCF 7a_200011215456_100015361967 [1,1,0,0,0,0|2,0,0]=4 815 B10R0.90 CCCC(CCC)NCCF 2230a_100011207992_100011217306 [1,1,0,0,0,0|2,0,0]=4 816 B10R0.90 CCCC(CCC)NCCF 34a_100000724931_200011218217 [1,1,0,0,0,0|2,0,0]=4 817 B10R0.90 CCCC(CCC)NCCF 34a_100011207992_100011217306 [1,1,0,0,0,0|2,0,0]=4 818 B10R0.90 CCCC(CCC)NCCO 2230a_100011207992_100000211926 [1,1,0,0,0,0|2,0,0]=4 819 B10R0.90 CCCC(CCC)NCCO 270004a_100000210304_100000210088 [1,1,0,0,0,0|2,0,0]=4 820 B10R0.90 CCCC(CCC)NCCO 34a_100011207992_100000211926 [1,1,0,0,0,0|2,0,0]=4 821 B10R0.90 CCCC(CCC)NCCO 34a_100016990907_200011218217 [1,1,0,0,0,0|2,0,0]=4 822 B10R0.90 CCCC(CCC)NCOC 2230a_100011207992_100000766300 [1,1,0,0,0,0|2,0,0]=4 823 B10R0.90 CCCC(CCC)NCSC 2230a_100011207992_100011218213 [1,1,0,0,0,0|2,0,0]=4 824 B10R0.90 CCCC(CCC)NCSC 34a_100011207992_100011218213 [1,1,0,0,0,0|2,0,0]=4 825 B10R0.90 CCCC(CCC)OCC#N 7a_200011218534_100011215382 [1,1,0,0,0,0|1,0,1]=4 826 B10R0.90 CCCC(CCC)OCC=O 34a_200011218534_200009817547 [1,1,0,0,0,0|1,0,1]=4 827 B10R0.90 CCCC(CCC)OCC=O 7a_200011218534_200015260668 [1,1,0,0,0,0|1,0,1]=4 828 B10R0.90 CCCC(CCC)OCCBr 34a_100000211926_200011218217 [1,1,0,0,0,0|1,0,0]=3 829 B10R0.90 CCCC(CCC)OCCF 34a_200011218534_100011217306 [1,1,0,0,0,0|1,0,0]=3 830 B10R0.90 CCCC(CCC)OCCF 7a_200011218534_100011217306 [1,1,0,0,0,0|1,0,0]=3 831 B10R0.90 CCCC(CCC)OCCN 34a_100000210304_200011218217 [1,1,0,0,0,0|1,0,0]=3 832 B10R0.90 CCCC(CCC)OCCO 34a_200011218534_100000211926 [1,1,0,0,0,0|1,0,0]=3 833 B10R0.90 CCCC(CCC)OCCO 7a_200011218534_100000211926 [1,1,0,0,0,0|1,0,0]=3 834 B10R0.90 CCCC(CCC)OCSC 34a_200011218534_100011218213 [1,1,0,0,0,0|1,0,0]=3 835 B10R0.90 CCCC(CCC)SCCF 62a_100011217306_200011218217 [1,1,0,0,0,0|1,1,0]=4 836 B10R0.90 CCCC(CCC)SCCF 62a_200011218217_100011217306 [1,1,0,0,0,0|1,1,0]=4 837 B10R0.90 CCCC(CCC)SCCO 62a_100000211926_200011218217 [1,1,0,0,0,0|1,1,0]=4 838 B10R0.90 CCCC(CCC)SCCO 62a_200011218217_100000211926 [1,1,0,0,0,0|1,1,0]=4 839 B10R0.90 CCCC(CCC)SCOC 62a_100000766300_200011218217 [1,1,0,0,0,0|1,1,0]=4 840 B10R0.90 CCCC(CCC)SCOC 62a_200011218217_100000766300 [1,1,0,0,0,0|1,1,0]=4 841 B10R0.90 CCCC(CCC)SCSC 62a_100011218213_200011218217 [1,1,0,0,0,0|1,1,0]=4 842 B10R0.90 CCCC(CCC)SCSC 62a_200011218217_100011218213 [1,1,0,0,0,0|1,1,0]=4 843 B10R0.90 CCCCC(CCC)OCC 34a_100011215800_100000210202 [1,1,0,0,0,0|1,0,0]=3 844 B10R0.90 CCCCC(CCC)OCC 34a_100121572206_100000211913 [1,1,0,0,0,0|1,0,0]=3 845 B10R0.90 CCCCC(CCC)OCC 7a_100011215800_100000210202 [1,1,0,0,0,0|1,0,0]=3 846 B10R0.90 CCCCC(CCC)OCF 34a_100011215800_100015361967 [1,1,0,0,0,0|2,0,0]=4 847 B10R0.90 CCCCC(CCC)OCF 7a_100011215800_100015361967 [1,1,0,0,0,0|2,0,0]=4 848 B10R0.90 CCCCC(CCC)SCC 62a_100000210202_100000211913 [1,1,0,0,0,0|1,1,0]=4 849 B10R0.90 CCCCC(CCC)SCC 62a_100000211913_100000210202 [1,1,0,0,0,0|1,1,0]=4 850 B10R0.90 CCCN(CCC)COCC 269982a_100000210455_100000739092 [1,1,0,0,0,0|2,0,0]=4 851 B10R0.90 CCCNC(CCC)CCC 2230a_100011207992_100000210303 [1,1,0,0,0,0|2,0,0]=4 852 B10R0.90 CCCNC(CCC)CCC 270004a_100020643023_100000210088 [1,1,0,0,0,0|2,0,0]=4 853 B10R0.90 CCCNC(CCC)CCC 34a_100011207992_100000210303 [1,1,0,0,0,0|2,0,0]=4 854 B10R0.90 CCCOC(CCC)CCC 34a_100000210258_200011218217 [1,1,0,0,0,0|1,0,0]=3 855 B10R0.90 CCCOC(CCC)CCC 34a_200011218534_100000210303 [1,1,0,0,0,0|1,0,0]=3 856 B10R0.90 CCCOC(CCC)CCC 7a_200011218534_100000210303 [1,1,0,0,0,0|1,0,0]=3 857 B10R0.90 CCCSC(CCC)CCC 62a_100000210303_200011218217 [1,1,0,0,0,0|1,1,0]=4 858 B10R0.90 CCCSC(CCC)CCC 62a_200011218217_100000210303 [1,1,0,0,0,0|1,1,0]=4 859 B10R0.90 CCNCC(OCC)OCC 2230a_100015525214_100000210512 [1,1,0,0,0,0|0,0,0]=2 860 B10R0.90 CCNCC(OCC)OCC 34a_100000211098_100000210202 [1,1,0,0,0,0|0,0,0]=2 861 B10R0.90 CCOC(CCNC)OCC 2230a_106832991635_100000033671 [1,1,0,0,0,0|0,0,0]=2 862 B10R0.90 CCOC(CCNC)OCC 34a_100000748396_200000210301 [1,1,0,0,0,0|0,0,0]=2 863 B10R0.90 CCOC(CCNC)OCC 34a_100102657272_100000033671 [1,1,0,0,0,0|0,0,0]=2 864 B10R0.90 CCOC(CCNC)OCC 7a_106832991635_100000033671 [1,1,0,0,0,0|0,0,0]=2 865 B10R0.90 CCOC(CCN[13CH3])OCC 34a_100000748396_200025704644 [1,1,0,0,0,0|0,0,0]=2 866 B10R0.90 CCOC(CCOC)OCC 34a_100011218310_200000210301 [1,1,0,0,0,0|0,0,0]=2 867 B10R0.90 CCOC(CCOC)OCC 34a_100138415774_100000033671 [1,1,0,0,0,0|0,0,0]=2 868 B10R0.90 CCOC(CCOC)OCC 7a_100011218310_200000210301 [1,1,0,0,0,0|0,0,0]=2 869 B10R0.90 CCOC(CCO[13CH3])OCC 34a_100011218310_200025704644 [1,1,0,0,0,0|0,0,0]=2 870 B10R0.90 CCOC(CCO[13CH3])OCC 7a_100011218310_200025704644 [1,1,0,0,0,0|0,0,0]=2 871 B10R0.90 CCOC(CCSC)OCC 62a_100000033671_200000210301 [1,1,0,0,0,0|0,0,0]=2 872 B10R0.90 CCOC(CCSC)OCC 62a_200000210301_100000033671 [1,1,0,0,0,0|0,0,0]=2 873 B10R0.90 CCOC(CCS[13CH3])OCC 62a_100000033671_200025704644 [1,1,0,0,0,0|0,0,0]=2 874 B10R0.90 CCOC(CCS[13CH3])OCC 62a_200025704644_100000033671 [1,1,0,0,0,0|0,0,0]=2 875 B10R0.90 CCOC(CNCF)OCC 34a_100000211098_100015361967 [1,1,0,0,0,0|1,0,0]=3 876 B10R0.90 CCOC(COCF)OCC 34a_100011216334_100015361967 [1,1,0,0,0,0|1,0,0]=3 877 B10R0.90 CCOC(COCF)OCC 7a_100011216334_100015361967 [1,1,0,0,0,0|1,0,0]=3 878 B10R0.90 CCOC(CSCC)OCC 62a_100000210202_100000210512 [1,1,0,0,0,0|0,0,0]=2 879 B10R0.90 CCOC(CSCC)OCC 62a_100000210512_100000210202 [1,1,0,0,0,0|0,0,0]=2 880 B10R0.90 CCOC(CSCF)OCC 62a_100000210512_100015361967 [1,1,0,0,0,0|1,0,0]=3 881 B10R0.90 CCOC(CSCF)OCC 62a_100015361967_100000210512 [1,1,0,0,0,0|1,0,0]=3 882 B10R0.90 CCOCC(OCC)OCC 34a_100011216334_100000210202 [1,1,0,0,0,0|0,0,0]=2 883 B10R0.90 CCOCC(OCC)OCC 34a_100121572206_100000210512 [1,1,0,0,0,0|0,0,0]=2 884 B10R0.90 CCOCC(OCC)OCC 7a_100011216334_100000210202 [1,1,0,0,0,0|0,0,0]=2 885 B10R0.107 CCCC(C)(CCC)OCC 7a_200011219694_100000210202 [1,1,0,0,0,0|1,0,0]=3 886 B10R0.107 CCCC(C)(CCC)OCF 7a_200011219694_100015361967 [1,1,0,0,0,0|2,0,0]=4 887 B10R0.107 CCOP(=O)(CNC)OCC 2230a_106832991635_100010393119 [1,1,0,0,0,0|2,0,0]=4 888 B10R0.107 CCOP(=O)(CNC)OCC 34a_100102657272_100010393119 [1,1,0,0,0,0|2,0,0]=4 889 B10R0.107 CCOP(=O)(COC)OCC 34a_100000033165_200000210301 [1,1,0,0,0,0|2,0,0]=4 890 B10R0.107 CCOP(=O)(COC)OCC 34a_100138415774_100010393119 [1,1,0,0,0,0|2,0,0]=4 891 B10R0.107 CCOP(=O)(CO[13CH3])OCC 34a_100000033165_200025704644 [1,1,0,0,0,0|2,0,0]=4 892 B10R0.107 CCOP(=O)(CSC)OCC 62a_100010393119_200000210301 [1,1,0,0,0,0|2,0,0]=4 893 B10R0.107 CCOP(=O)(CSC)OCC 62a_200000210301_100010393119 [1,1,0,0,0,0|2,0,0]=4 894 B10R0.107 CCOP(=O)(CS[13CH3])OCC 62a_100010393119_200025704644 [1,1,0,0,0,0|2,0,0]=4 895 B10R0.107 CCOP(=O)(CS[13CH3])OCC 62a_200025704644_100010393119 [1,1,0,0,0,0|2,0,0]=4 896 B10R0.107 CCO[Si](C)(CNC)OCC 34a_100102657272_100000061259 [1,1,0,0,0,0|1,1,0]=4 897 B10R0.107 CCO[Si](C)(COC)OCC 34a_100138415774_100000061259 [1,1,0,0,0,0|1,1,0]=4 898 B10R0.107 CCO[Si](C)(CSC)OCC 62a_100000061259_200000210301 [1,1,0,0,0,0|1,1,0]=4 899 B10R0.107 CCO[Si](C)(CSC)OCC 62a_200000210301_100000061259 [1,1,0,0,0,0|1,1,0]=4 900 B10R0.107 CCO[Si](C)(CS[13CH3])OCC 62a_100000061259_200025704644 [1,1,0,0,0,0|1,1,0]=4 901 B10R0.107 CCO[Si](C)(CS[13CH3])OCC 62a_200025704644_100000061259 [1,1,0,0,0,0|1,1,0]=4 902 B10R0.30 CCOC(C(=O)OC)C(C)C 34a_100121572206_100000736125 [0,1,0,0,1,0|2,0,0]=4 903 B10R0.30 CCO[C@@H](C(=O)OC)C(C)C 34a_100009883636_100000210202 [0,1,0,0,1,0|2,0,0]=4 904 B10R0.30 CCO[C@@H](C(=O)OC)C(C)C 7a_100009883636_100000210202 [0,1,0,0,1,0|2,0,0]=4 905 B10R0.30 CCSC(C(=O)CC)C(C)C 1458a_100000750736_100000210202 [0,1,0,0,1,0|1,1,0]=4 906 B10R0.88 C#CCOC(CCC)C(C)C 34a_200011215069_100000184674 [0,1,0,0,1,0|1,0,1]=4 907 B10R0.88 C#CCOC(CCC)C(C)C 7a_200011215069_100000038162 [0,1,0,0,1,0|1,0,1]=4 908 B10R0.88 C=CCOC(CCC)C(C)C 34a_200011215069_100015514636 [0,1,0,0,1,0|1,0,1]=4 909 B10R0.88 C=CCOC(CCC)C(C)C 7a_200011215069_100015514636 [0,1,0,0,1,0|1,0,1]=4 910 B10R0.88 CCCC(OCC#N)C(C)C 7a_200011215069_100011215382 [0,1,0,0,1,0|1,0,1]=4 911 B10R0.88 CCCC(OCC=O)C(C)C 34a_200011215069_200009817547 [0,1,0,0,1,0|1,0,1]=4 912 B10R0.88 CCCC(OCC=O)C(C)C 7a_200011215069_200015260668 [0,1,0,0,1,0|1,0,1]=4 913 B10R0.88 CCCC(OCCF)C(C)C 34a_200011215069_100011217306 [0,1,0,0,1,0|1,0,0]=3 914 B10R0.88 CCCC(OCCF)C(C)C 7a_200011215069_100011217306 [0,1,0,0,1,0|1,0,0]=3 915 B10R0.88 CCCC(OCCO)C(C)C 34a_200011215069_100000211926 [0,1,0,0,1,0|1,0,0]=3 916 B10R0.88 CCCC(OCCO)C(C)C 7a_200011215069_100000211926 [0,1,0,0,1,0|1,0,0]=3 917 B10R0.88 CCCC(OCSC)C(C)C 34a_200011215069_100011218213 [0,1,0,0,1,0|1,0,0]=3 918 B10R0.88 CCCCC(NCC)C(C)C 270004a_100015525214_200011215219 [0,1,0,0,1,0|2,0,0]=4 919 B10R0.88 CCCN(COCC)C(C)C 269982a_106256033942_100000739092 [0,1,0,0,1,0|2,0,0]=4 920 B10R0.88 CCCOC(CCC)C(C)C 34a_200011215069_100000210303 [0,1,0,0,1,0|1,0,0]=3 921 B10R0.88 CCCOC(CCC)C(C)C 7a_200011215069_100000210303 [0,1,0,0,1,0|1,0,0]=3 922 B10R0.88 CCCOC(OCC)C(F)F 34a_100000038436_100000210303 [0,1,0,0,1,0|2,0,0]=4 923 B10R0.88 CCCOC(OCC)C(F)F 7a_100000038436_100000210303 [0,1,0,0,1,0|2,0,0]=4 924 B10R0.88 CCOC(OCCF)C(F)F 34a_100000038436_100011217306 [0,1,0,0,1,0|2,0,0]=4 925 B10R0.88 CCOC(OCCF)C(F)F 7a_100000038436_100011217306 [0,1,0,0,1,0|2,0,0]=4 926 B10R0.88 CCOC(OCCO)C(F)F 34a_100000038436_100000211926 [0,1,0,0,1,0|2,0,0]=4 927 B10R0.88 CCOC(OCCO)C(F)F 7a_100000038436_100000211926 [0,1,0,0,1,0|2,0,0]=4 928 B10R0.88 CCOC(OCSC)C(F)F 34a_100000038436_100011218213 [0,1,0,0,1,0|2,0,0]=4 929 B10R0.139 CCCC(OCC)C(C)(C)C 7a_200011216373_100000210202 [0,1,0,0,1,0|1,0,0]=3 930 B10R0.139 CCCC(OCF)C(C)(C)C 7a_200011216373_100015361967 [0,1,0,0,1,0|2,0,0]=4 931 B10R0.139 CCOC(OCC)C(F)(F)F 34a_100000033013_100000210202 [0,1,0,0,1,0|2,0,0]=4 932 B12R0.12 CCCCC(CCC)NCC(C)C 34a_100000210953_100000211913 [0,1,0,0,0,1|2,0,0]=4 933 B12R0.12 CCCCC(CCC)OCC(C)C 34a_100000210257_100000211913 [0,1,0,0,0,1|2,0,0]=4 934 B12R0.12 CCCCC(CCC)OCC(C)C 34a_100011215800_100000210624 [0,1,0,0,0,1|2,0,0]=4 935 B12R0.12 CCCCC(CCC)OCC(C)C 7a_100011215800_100000210760 [0,1,0,0,0,1|2,0,0]=4 936 B12R0.12 CCCCC(CCC)SCC(C)C 62a_100000210624_100000211913 [0,1,0,0,0,1|2,0,0]=4 937 B12R0.12 CCCCC(CCC)SCC(C)C 62a_100000211913_100000210760 [0,1,0,0,0,1|2,0,0]=4 938 B12R0.51 CCCC(NCC(C)C)C(C)CC 270004a_100000210953_100011218362 [0,1,0,0,0,1|2,0,0]=4 939 B12R0.51 CCCC(OCC(C)C)C(C)CC 34a_100011215975_100000210624 [0,1,0,0,0,1|2,0,0]=4 940 B12R0.51 CCCC(OCC(C)C)C(C)CC 7a_100011215975_100000210760 [0,1,0,0,0,1|2,0,0]=4 941 B12R0.52 CCCC(CC(C)C)OCC(C)C 34a_100011351045_100000210624 [0,1,0,0,0,1|2,0,0]=4 942 B12R0.52 CCCC(CC(C)C)OCC(C)C 7a_100011351045_100000210760 [0,1,0,0,0,1|2,0,0]=4 943 B12R0.159 C=C(C)CC(=O)C(OCC)OCC 1458a_100000082760_100000748629 [0,1,0,0,0,1|0,0,2]=4 944 B12R0.159 CCCC(CCC)C(=O)CC(C)C 1458a_100000210554_200011218217 [0,1,0,0,0,1|2,0,0]=4 945 B12R0.159 CCCC(CCC)C(=O)CC(C)C 1458a_100011215354_100000210624 [0,1,0,0,0,1|2,0,0]=4 946 B12R0.159 CCCC(CCC)N(C)CC(C)C 269982a_100000747067_200011218217 [0,1,0,0,0,1|2,0,0]=4 947 B12R0.159 CCCC(CCC)N(C)CC(C)C 270004a_100000747067_100000210088 [0,1,0,0,0,1|2,0,0]=4 948 B12R0.159 CCOC(OCC)C(=O)CC(C)C 1458a_100000082760_100000210624 [0,1,0,0,0,1|0,0,0]=2 949 B12R0.159 CCOC(OCC)C(=O)CC(C)O 1458a_100000082760_100011218427 [0,1,0,0,0,1|1,0,0]=3 950 B12R0.159 CCOC(OCC)C(=O)CC(F)F 1458a_100000082760_100011934356 [0,1,0,0,0,1|2,0,0]=4 951 B12R0.159 CCOC(OCC)C(=O)NC(C)C 11a_100138425928_100000082760 [0,1,0,0,0,1|0,0,1]=3 952 B12R0.159 CCOC(OCC)C(=O)NC(C)C 1626a_100138425928_100000082760 [0,1,0,0,0,1|0,0,1]=3 953 B12R0.159 CCOC(OCC)C(=O)NC(C)C 240690a_100138425928_100000082760 [0,1,0,0,0,1|0,0,1]=3 954 B12R0.159 CCOC(OCC)C(=O)NC(C)C 527a_100138425928_100000082760 [0,1,0,0,0,1|0,0,1]=3 955 B12R0.159 CCOC(OCC)C(C)NC(C)C 34a_100138425928_100009815656 [0,1,0,0,0,1|0,0,0]=2 956 B12R0.159 CCOC(OCC)C(C)OC(C)C 34a_100000212225_100009815656 [0,1,0,0,0,1|0,0,0]=2 957 B12R0.159 CCOC(OCC)C(C)SC(C)C 62a_100000210206_100009815656 [0,1,0,0,0,1|0,0,0]=2 958 B12R0.159 CCOC(OCC)C(C)SC(C)C 62a_100009815656_100000210206 [0,1,0,0,0,1|0,0,0]=2 959 B12R0.160 C#CC(C)NCC(OCC)OCC 2230a_100000707721_100000210512 [0,1,0,0,0,1|0,0,1]=3 960 B12R0.160 C#CC(C)NCC(OCC)OCC 34a_100000211098_200000035995 [0,1,0,0,0,1|0,0,1]=3 961 B12R0.160 C#CC(C)NCC(OCC)OCC 34a_100000707721_100000210512 [0,1,0,0,0,1|0,0,1]=3 962 B12R0.160 C#CC(C)OCC(OCC)OCC 34a_100011216334_200000035995 [0,1,0,0,0,1|0,0,1]=3 963 B12R0.160 C#CC(C)SCC(OCC)OCC 62a_200000035995_100000210512 [0,1,0,0,0,1|0,0,1]=3 964 B12R0.160 C#C[C@@H](C)OCC(OCC)OCC 34a_100009815206_100000210512 [0,1,0,0,0,1|0,0,1]=3 965 B12R0.160 C#C[C@@H](C)OCC(OCC)OCC 7a_100009815206_100000210512 [0,1,0,0,0,1|0,0,1]=3 966 B12R0.160 C=CC(C)OCC(OCC)OCC 34a_100000695699_100000210512 [0,1,0,0,0,1|0,0,1]=3 967 B12R0.160 C=CC(C)SCC(OCC)OCC 62a_100011215867_100000210512 [0,1,0,0,0,1|0,0,1]=3 968 B12R0.160 CCCC(CCC)COC(C)CC 34a_200011215456_100011215416 [0,1,0,0,0,1|2,0,0]=4 969 B12R0.160 CCCC(CCC)COC(C)CC 7a_200011215456_100000758301 [0,1,0,0,0,1|2,0,0]=4 970 B12R0.160 CCCC(CCC)COC(C)CO 34a_200011215456_100012180447 [0,1,0,0,0,1|2,0,0]=4 971 B12R0.160 CCCC(CCC)COC(C)CO 7a_200011215456_100012180447 [0,1,0,0,0,1|2,0,0]=4 972 B12R0.160 CCCC(CCC)NCC(C)CC 2230a_100011207992_100000748023 [0,1,0,0,0,1|2,0,0]=4 973 B12R0.160 CCCC(CCC)NCC(C)CC 270004a_100011207992_100000243153 [0,1,0,0,0,1|2,0,0]=4 974 B12R0.160 CCCC(CCC)NCC(C)CC 270004a_100020588543_100000210088 [0,1,0,0,0,1|2,0,0]=4 975 B12R0.160 CCCC(CCC)NCC(C)CC 34a_100011207992_100000748023 [0,1,0,0,0,1|2,0,0]=4 976 B12R0.160 CCCC(CCC)NCC(C)CO 34a_100000744482_200011218217 [0,1,0,0,0,1|2,0,0]=4 977 B12R0.160 CCCC(CCC)NC[C@@H](C)CC 2230a_100011207992_100009816398 [0,1,0,0,0,1|2,0,0]=4 978 B12R0.160 CCCC(CCC)NC[C@@H](C)CC 34a_100011207992_100009816398 [0,1,0,0,0,1|2,0,0]=4 979 B12R0.160 CCCC(CCC)NC[C@@H](C)CO 2230a_100011207992_100000059175 [0,1,0,0,0,1|2,0,0]=4 980 B12R0.160 CCCC(CCC)NC[C@@H](C)CO 34a_100011207992_100000059175 [0,1,0,0,0,1|2,0,0]=4 981 B12R0.160 CCCC(CCC)NC[C@@H](C)OC 270004a_100020591295_100000210088 [0,1,0,0,0,1|2,0,0]=4 982 B12R0.160 CCCC(CCC)OCC(C)CC 34a_200011218534_100000748023 [0,1,0,0,0,1|2,0,0]=4 983 B12R0.160 CCCC(CCC)OCC(C)CC 7a_200011218534_100000748023 [0,1,0,0,0,1|2,0,0]=4 984 B12R0.160 CCCC(CCC)OCC(C)CN 34a_100000744482_200011218217 [0,1,0,0,0,1|2,0,0]=4 985 B12R0.160 CCCC(CCC)OCC(C)OC 34a_100000690652_200011218217 [0,1,0,0,0,1|2,0,0]=4 986 B12R0.160 CCCC(CCC)OC[C@@H](C)CC 34a_200011218534_100009816398 [0,1,0,0,0,1|2,0,0]=4 987 B12R0.160 CCCC(CCC)OC[C@@H](C)CC 7a_100009816381_200011218217 [0,1,0,0,0,1|2,0,0]=4 988 B12R0.160 CCCC(CCC)OC[C@@H](C)CC 7a_200011218534_100009816398 [0,1,0,0,0,1|2,0,0]=4 989 B12R0.160 CCCC(CCC)OC[C@@H](C)CO 34a_200011218534_100000059175 [0,1,0,0,0,1|2,0,0]=4 990 B12R0.160 CCCC(CCC)OC[C@@H](C)CO 7a_200011218534_100000059175 [0,1,0,0,0,1|2,0,0]=4 991 B12R0.160 CCCC(CCC)SCC(C)CC 62a_100000748023_200011218217 [0,1,0,0,0,1|2,0,0]=4 992 B12R0.160 CCCC(CCC)SCC(C)CC 62a_200011218217_100000748023 [0,1,0,0,0,1|2,0,0]=4 993 B12R0.160 CCCC(CCC)SC[C@@H](C)CC 62a_100009816398_200011218217 [0,1,0,0,0,1|2,0,0]=4 994 B12R0.160 CCCC(CCC)SC[C@@H](C)CC 62a_200011218217_100009816398 [0,1,0,0,0,1|2,0,0]=4 995 B12R0.160 CCCC(CCC)SC[C@@H](C)CO 62a_100000059175_200011218217 [0,1,0,0,0,1|2,0,0]=4 996 B12R0.160 CCCC(CCC)SC[C@@H](C)CO 62a_200011218217_100000059175 [0,1,0,0,0,1|2,0,0]=4 997 B12R0.160 CCOC(CCC(=O)CC)OCC 1458a_100000210414_100000033671 [0,1,0,0,0,1|1,0,1]=4 998 B12R0.160 CCOC(CCC(=O)CO)OCC 1458a_100000210174_100000033671 [0,1,0,0,0,1|1,0,1]=4 999 B12R0.160 CCOC(CCN(C)CC)OCC 2230a_100000225621_100000033671 [0,1,0,0,0,1|1,0,0]=3 1000 B12R0.160 CCOC(CCN(C)CC)OCC 269982a_100000225621_100000033671 [0,1,0,0,0,1|1,0,0]=3 1001 B12R0.160 CCOC(CNC(=O)CC)OCC 11a_100000211098_100000210414 [0,1,0,0,0,1|1,0,1]=4 1002 B12R0.160 CCOC(CNC(=O)CC)OCC 1626a_100000211098_100000210414 [0,1,0,0,0,1|1,0,1]=4 1003 B12R0.160 CCOC(CNC(=O)CC)OCC 240690a_100000211098_100000210414 [0,1,0,0,0,1|1,0,1]=4 1004 B12R0.160 CCOC(CNC(=O)CC)OCC 527a_100000211098_100000210414 [0,1,0,0,0,1|1,0,1]=4 1005 B12R0.160 CCOC(CNC(=O)CO)OCC 240690a_100000211098_100000210174 [0,1,0,0,0,1|1,0,1]=4 1006 B12R0.160 CCOC(CNC(=O)CO)OCC 527a_100000211098_100000210174 [0,1,0,0,0,1|1,0,1]=4 1007 B12R0.160 CCOC(CNC(=O)NC)OCC 2708a_100000211098_106832991635 [0,1,0,0,0,1|1,0,1]=4 1008 B12R0.160 CCOC(CNC(=O)NC)OCC 273464a_100000211098_100102657272 [0,1,0,0,0,1|1,0,1]=4 1009 B12R0.160 CCOC(CNC(=O)NC)OCC 273464a_100102657272_100000211098 [0,1,0,0,0,1|1,0,1]=4 1010 B12R0.160 CCOC(CNC(=O)NC)OCC 512a_100000211098_100102657272 [0,1,0,0,0,1|1,0,1]=4 1011 B12R0.160 CCOC(CNC(=O)NC)OCC 512a_106832991638_100000211098 [0,1,0,0,0,1|1,0,1]=4 1012 B12R0.160 CCOC(CNC(C)C#N)OCC 2230a_100000737613_100000210512 [0,1,0,0,0,1|0,0,1]=3 1013 B12R0.160 CCOC(CNC(C)CC)OCC 2230a_100000209981_100000210512 [0,1,0,0,0,1|0,0,0]=2 1014 B12R0.160 CCOC(CNC(C)CC)OCC 34a_100000211098_100011215416 [0,1,0,0,0,1|0,0,0]=2 1015 B12R0.160 CCOC(CNC(C)CO)OCC 34a_100000211098_100012180447 [0,1,0,0,0,1|0,0,0]=2 1016 B12R0.160 CCOC(CN[C@H](C)CO)OCC 2230a_100000737577_100000210512 [0,1,0,0,0,1|0,0,0]=2 1017 B12R0.160 CCOC(COC(C)C#N)OCC 34a_100011218135_100000210512 [0,1,0,0,0,1|0,0,1]=3 1018 B12R0.160 CCOC(COC(C)C#N)OCC 7a_100011216334_100000703298 [0,1,0,0,0,1|0,0,1]=3 1019 B12R0.160 CCOC(COC(C)CC)OCC 34a_100011216334_100011215416 [0,1,0,0,0,1|0,0,0]=2 1020 B12R0.160 CCOC(COC(C)CC)OCC 7a_100000210228_100000210512 [0,1,0,0,0,1|0,0,0]=2 1021 B12R0.160 CCOC(COC(C)CC)OCC 7a_100011216334_100000758301 [0,1,0,0,0,1|0,0,0]=2 1022 B12R0.160 CCOC(COC(C)CF)OCC 34a_100016041109_100000210512 [0,1,0,0,0,1|0,0,0]=2 1023 B12R0.160 CCOC(COC(C)CF)OCC 7a_100016041109_100000210512 [0,1,0,0,0,1|0,0,0]=2 1024 B12R0.160 CCOC(COC(C)CN)OCC 34a_100000210904_100000210512 [0,1,0,0,0,1|0,0,0]=2 1025 B12R0.160 CCOC(COC(C)CO)OCC 34a_100011216334_100012180447 [0,1,0,0,0,1|0,0,0]=2 1026 B12R0.160 CCOC(COC(C)CO)OCC 7a_100011216334_100012180447 [0,1,0,0,0,1|0,0,0]=2 1027 B12R0.160 CCOC(CSC(C)C#N)OCC 62a_100000210512_100000703298 [0,1,0,0,0,1|0,0,1]=3 1028 B12R0.160 CCOC(CSC(C)C#N)OCC 62a_100000703298_100000210512 [0,1,0,0,0,1|0,0,1]=3 1029 B12R0.160 CCOC(CSC(C)CC)OCC 62a_100000210512_100000758301 [0,1,0,0,0,1|0,0,0]=2 1030 B12R0.160 CCOC(CSC(C)CC)OCC 62a_100000758301_100000210512 [0,1,0,0,0,1|0,0,0]=2 1031 B12R0.160 CCOC(CSC(C)CO)OCC 62a_100012180447_100000210512 [0,1,0,0,0,1|0,0,0]=2 1032 B12R0.160 CCOC(CSC(C)OC)OCC 62a_100000210512_100009879195 [0,1,0,0,0,1|0,0,0]=2 1033 B12R0.160 CCOC(CSC(C)OC)OCC 62a_100009879195_100000210512 [0,1,0,0,0,1|0,0,0]=2 1034 B12R0.160 CCOC(CSC(F)C#N)OCC 62a_100000210512_200000117898 [0,1,0,0,0,1|1,0,1]=4 1035 B12R0.160 CCOC(CSC(F)C#N)OCC 62a_200000117898_100000210512 [0,1,0,0,0,1|1,0,1]=4 1036 B12R0.160 CCOC(CS[C@H](C)CO)OCC 62a_100000210512_100016084084 [0,1,0,0,0,1|0,0,0]=2 1037 B12R0.160 CCOC(CS[C@H](C)CO)OCC 62a_100016084084_100000210512 [0,1,0,0,0,1|0,0,0]=2 1038 B12R0.166 C=C(C)C(=O)CC(OCC)OCC 1458a_100000185857_100000210512 [0,1,0,0,0,1|0,0,2]=4 1039 B12R0.166 CCCC(CCC)NC(C)C(C)C 270004a_100000211541_100000210088 [0,1,0,0,0,1|2,0,0]=4 1040 B12R0.166 CCCC(CCC)OC(C)C(C)C 7a_100000748068_200011218217 [0,1,0,0,0,1|2,0,0]=4 1041 B12R0.166 CCOC(CC(=O)C(C)C)OCC 1458a_100000082722_100000210206 [0,1,0,0,0,1|0,0,0]=2 1042 B12R0.166 CCOC(CC(=O)C(C)C)OCC 1458a_100000210198_100000210512 [0,1,0,0,0,1|0,0,0]=2 1043 B12R0.166 CCOC(CC(=O)C(C)F)OCC 1458a_100000062450_100000210512 [0,1,0,0,0,1|1,0,0]=3 1044 B12R0.166 CCOC(CC(=O)C(O)O)OCC 1458a_100000233687_100000210512 [0,1,0,0,0,1|2,0,0]=4 1045 B12R0.166 CCOC(CC(=O)N(C)C)OCC 11a_100102631434_100000082722 [0,1,0,0,0,1|1,0,0]=3 1046 B12R0.166 CCOC(CC(=O)N(C)C)OCC 1626a_100102631434_100000082722 [0,1,0,0,0,1|1,0,0]=3 1047 B12R0.166 CCOC(CC(=O)N(C)C)OCC 240690a_100102631434_100000082722 [0,1,0,0,0,1|1,0,0]=3 1048 B12R0.166 CCOC(CC(=O)N(C)C)OCC 527a_100102631434_100000082722 [0,1,0,0,0,1|1,0,0]=3 1049 B12R0.166 CCOC(CC(=O)[C@@H](C)O)OCC 1458a_100000717761_100000210512 [0,1,0,0,0,1|1,0,0]=3 1050 B12R0.166 CCOC(CC(=O)[C@H](C)O)OCC 1458a_217856618621_100000210512 [0,1,0,0,0,1|1,0,0]=3 1051 B12R0.166 CCOC(CN(C)C(=O)C)OCC 11a_200000227172_100015343762 [0,1,0,0,0,1|1,0,1]=4 1052 B12R0.166 CCOC(CN(C)C(=O)C)OCC 1626a_200000227172_100015343762 [0,1,0,0,0,1|1,0,1]=4 1053 B12R0.166 CCOC(CN(C)C(=O)C)OCC 527a_200000227172_100103153847 [0,1,0,0,0,1|1,0,1]=4 1054 B12R0.166 CCOC(CN(C)C(C)C)OCC 269982a_200000211004_100000733474 [0,1,0,0,0,1|0,0,0]=2 1055 B12R0.166 CCOC(CN(C)C(C)C)OCC 269982a_200000227172_100000210206 [0,1,0,0,0,1|0,0,0]=2 1056 B12R0.166 CCOC(CN(C)C(C)C)OCC 34a_200000227172_100000210206 [0,1,0,0,0,1|0,0,0]=2 1057 B12R0.547 CCCC(CCC)COC(C)(C)C 34a_200011215456_100000210625 [0,1,0,0,0,1|2,0,0]=4 1058 B12R0.547 CCCC(CCC)NCC(C)(C)C 270004a_100000743828_100000210088 [0,1,0,0,0,1|2,0,0]=4 1059 B12R0.547 CCCC(CCC)NCC(C)(C)C 270004a_100011207992_100011204126 [0,1,0,0,0,1|2,0,0]=4 1060 B12R0.547 CCCC(CCC)NCC(C)(C)C 34a_100011207992_100011219605 [0,1,0,0,0,1|2,0,0]=4 1061 B12R0.547 CCCC(CCC)NCC(C)(C)F 270004a_100020643315_100000210088 [0,1,0,0,0,1|2,0,0]=4 1062 B12R0.547 CCCC(CCC)NCC(C)(C)F 34a_100011207992_100011997219 [0,1,0,0,0,1|2,0,0]=4 1063 B12R0.547 CCCC(CCC)NCC(C)(C)O 270004a_100000751335_100000210088 [0,1,0,0,0,1|2,0,0]=4 1064 B12R0.547 CCCC(CCC)NCC(C)(C)O 34a_100011207992_100000764493 [0,1,0,0,0,1|2,0,0]=4 1065 B12R0.547 CCCC(CCC)OCC(C)(C)C 34a_200011218534_100011219605 [0,1,0,0,0,1|2,0,0]=4 1066 B12R0.547 CCCC(CCC)OCC(C)(C)F 34a_100000716592_200011218217 [0,1,0,0,0,1|2,0,0]=4 1067 B12R0.547 CCCC(CCC)OCC(C)(C)F 34a_200011218534_100011997219 [0,1,0,0,0,1|2,0,0]=4 1068 B12R0.547 CCCC(CCC)OCC(C)(C)O 34a_200011218534_100000764493 [0,1,0,0,0,1|2,0,0]=4 1069 B12R0.547 CCCC(CCC)OCC(C)(C)O 7a_200011218534_100000764493 [0,1,0,0,0,1|2,0,0]=4 1070 B12R0.547 CCCC(CCC)SCC(C)(C)C 62a_100011219605_200011218217 [0,1,0,0,0,1|2,0,0]=4 1071 B12R0.547 CCCC(CCC)SCC(C)(C)C 62a_200011218217_100011219605 [0,1,0,0,0,1|2,0,0]=4 1072 B12R0.547 CCCC(CCC)SCC(C)(C)F 62a_100011997219_200011218217 [0,1,0,0,0,1|2,0,0]=4 1073 B12R0.547 CCCC(CCC)SCC(C)(C)F 62a_200011218217_100011997219 [0,1,0,0,0,1|2,0,0]=4 1074 B12R0.547 CCCC(CCC)SCC(C)(C)O 62a_100000764493_200011218217 [0,1,0,0,0,1|2,0,0]=4 1075 B12R0.547 CCCC(CCC)SCC(C)(C)O 62a_200011218217_100000764493 [0,1,0,0,0,1|2,0,0]=4 1076 B12R0.547 CCOC(CNC(C)(C)C)OCC 2230a_100000715429_100000210512 [0,1,0,0,0,1|0,0,0]=2 1077 B12R0.547 CCOC(CNC(C)(C)C)OCC 34a_100000211098_100000210625 [0,1,0,0,0,1|0,0,0]=2 1078 B12R0.547 CCOC(CNC(F)(F)F)OCC 34a_100000211098_200103152311 [0,1,0,0,0,1|2,0,0]=4 1079 B12R0.547 CCOC(CNS(=O)(=O)C)OCC 40a_100000211098_100000738038 [0,1,0,0,0,1|2,0,0]=4 1080 B12R0.547 CCOC(COC(C)(C)C)OCC 34a_100011216334_100000210625 [0,1,0,0,0,1|0,0,0]=2 1081 B12R0.547 CCOC(COC(C)(C)C)OCC 34a_100015890283_100000210512 [0,1,0,0,0,1|0,0,0]=2 1082 B12R0.547 CCOC(COC(C)(C)C)OCC 7a_100015890283_100000210512 [0,1,0,0,0,1|0,0,0]=2 1083 B12R0.547 CCOC(COC(F)(F)F)OCC 34a_100011216334_200103152311 [0,1,0,0,0,1|2,0,0]=4 1084 B12R0.547 CCOC(COC(F)(F)F)OCC 7a_100011216334_200000243211 [0,1,0,0,0,1|2,0,0]=4 1085 B12R0.547 CCOC(CSC(C)(C)C)OCC 62a_100000210512_100000211941 [0,1,0,0,0,1|0,0,0]=2 1086 B12R0.547 CCOC(CSC(C)(C)C)OCC 62a_100000211941_100000210512 [0,1,0,0,0,1|0,0,0]=2 1087 B12R0.547 CCOC(CSC(F)(F)F)OCC 62a_100000210512_200103152311 [0,1,0,0,0,1|2,0,0]=4 1088 B12R0.547 CCOC(CSC(F)(F)F)OCC 62a_200000243211_100000210512 [0,1,0,0,0,1|2,0,0]=4 1089 B12R0.740 CCCC(C)(CCC)OCC(C)C 7a_200011219694_100000210760 [0,1,0,0,0,1|2,0,0]=4 1090 B12R0.740 CCOP(=O)(CCN(C)C)OCC 2230a_100102631434_100000766911 [0,1,0,0,0,1|2,0,0]=4 1091 B12R0.740 CCOP(=O)(CCN(C)C)OCC 269982a_100102631434_100000766911 [0,1,0,0,0,1|2,0,0]=4 1092 B12R0.740 CCOP(=O)(CNC(C)C)OCC 2230a_100138425928_100010393119 [0,1,0,0,0,1|1,0,0]=3 1093 B12R0.740 CCOP(=O)(CNC(C)C)OCC 34a_100138425928_100010393119 [0,1,0,0,0,1|1,0,0]=3 1094 B12R0.740 CCOP(=O)(COC(C)C)OCC 34a_100000033165_100000210206 [0,1,0,0,0,1|1,0,0]=3 1095 B12R0.740 CCOP(=O)(COC(C)C)OCC 34a_100000212225_100010393119 [0,1,0,0,0,1|1,0,0]=3 1096 B12R0.740 CCOP(=O)(CSC(C)C)OCC 62a_100000210206_100010393119 [0,1,0,0,0,1|1,0,0]=3 1097 B12R0.740 CCOP(=O)(CSC(C)C)OCC 62a_100010393119_100000210206 [0,1,0,0,0,1|1,0,0]=3 1098 B12R0.740 CCO[Si](C)(CNC(C)C)OCC 34a_100138425928_100000061259 [0,1,0,0,0,1|0,1,0]=3 1099 B12R0.740 CCO[Si](C)(COC(C)C)OCC 34a_100000212225_100000061259 [0,1,0,0,0,1|0,1,0]=3 1100 B12R0.740 CCO[Si](C)(CSC(C)C)OCC 62a_100000061259_100000210206 [0,1,0,0,0,1|0,1,0]=3 1101 B12R0.740 CCO[Si](C)(CSC(C)C)OCC 62a_100000210206_100000061259 [0,1,0,0,0,1|0,1,0]=3 1102 B12R0.41 CC(C)CC(CC(C)C)NC(C)C 2230a_100000751966_100000210206 [0,2,0,0,0,0|2,0,0]=4 1103 B12R0.41 CC(C)CC(CC(C)C)OC(C)C 34a_100011219621_100000210206 [0,2,0,0,0,0|1,0,0]=3 1104 B12R0.41 CC(C)CC(CC(C)C)OC(C)C 7a_100011219621_100000210206 [0,2,0,0,0,0|1,0,0]=3 1105 B12R0.180 COC(=O)[C@@H](CC(C)C)OC(C)C 34a_100014169393_100000210206 [0,2,0,0,0,0|2,0,0]=4 1106 B12R0.180 COC(=O)[C@@H](CC(C)C)OC(C)C 7a_100014169393_100000210206 [0,2,0,0,0,0|2,0,0]=4 1107 B12R0.242 C#CCOC(CC(C)C)CC(C)C 34a_100011219621_100000184674 [0,2,0,0,0,0|1,0,1]=4 1108 B12R0.242 C#CCOC(CC(C)C)CC(C)C 7a_100011219621_100000038162 [0,2,0,0,0,0|1,0,1]=4 1109 B12R0.242 C=CCOC(CC(C)C)CC(C)C 34a_100011219621_100015514636 [0,2,0,0,0,0|1,0,1]=4 1110 B12R0.242 C=CCOC(CC(C)C)CC(C)C 7a_100011219621_100015514636 [0,2,0,0,0,0|1,0,1]=4 1111 B12R0.242 CC(C)CC(CC(C)C)NCCF 2230a_100000751966_100011217306 [0,2,0,0,0,0|2,0,0]=4 1112 B12R0.242 CC(C)CC(CC(C)C)NCCO 2230a_100000751966_100000211926 [0,2,0,0,0,0|2,0,0]=4 1113 B12R0.242 CC(C)CC(CC(C)C)OCC#N 7a_100011219621_100011215382 [0,2,0,0,0,0|1,0,1]=4 1114 B12R0.242 CC(C)CC(CC(C)C)OCC=O 34a_100011219621_200009817547 [0,2,0,0,0,0|1,0,1]=4 1115 B12R0.242 CC(C)CC(CC(C)C)OCC=O 7a_100011219621_200015260668 [0,2,0,0,0,0|1,0,1]=4 1116 B12R0.242 CC(C)CC(CC(C)C)OCCF 34a_100011219621_100011217306 [0,2,0,0,0,0|1,0,0]=3 1117 B12R0.242 CC(C)CC(CC(C)C)OCCF 7a_100011219621_100011217306 [0,2,0,0,0,0|1,0,0]=3 1118 B12R0.242 CC(C)CC(CC(C)C)OCCO 34a_100011219621_100000211926 [0,2,0,0,0,0|1,0,0]=3 1119 B12R0.242 CC(C)CC(CC(C)C)OCCO 7a_100011219621_100000211926 [0,2,0,0,0,0|1,0,0]=3 1120 B12R0.242 CCC#CC(CC(C)C)OC(C)C 34a_200000035896_100000210206 [0,2,0,0,0,0|1,0,0]=3 1121 B12R0.242 CCC#CC(CC(C)C)OC(C)C 7a_200000035896_100000210206 [0,2,0,0,0,0|1,0,0]=3 1122 B12R0.242 CCCNC(CC(C)C)CC(C)C 2230a_100000751966_100000210303 [0,2,0,0,0,0|2,0,0]=4 1123 B12R0.242 CCCOC(CC(C)C)CC(C)C 34a_100011219621_100000210303 [0,2,0,0,0,0|1,0,0]=3 1124 B12R0.242 CCCOC(CC(C)C)CC(C)C 7a_100011219621_100000210303 [0,2,0,0,0,0|1,0,0]=3 1125 B12R0.242 CCOCN(CC(C)C)CC(C)C 269982a_100000201412_100000739092 [0,2,0,0,0,0|2,0,0]=4 1126 B12R0.242 COCNC(CC(C)C)CC(C)C 2230a_100000751966_100000766300 [0,2,0,0,0,0|2,0,0]=4 1127 B12R0.242 CSCNC(CC(C)C)CC(C)C 2230a_100000751966_100011218213 [0,2,0,0,0,0|2,0,0]=4 1128 B12R0.242 CSCOC(CC(C)C)CC(C)C 34a_100011219621_100011218213 [0,2,0,0,0,0|1,0,0]=3 1129 B12R0.271 CC(C)CC(C)(CC(C)C)OCF 7a_200011217148_100015361967 [0,2,0,0,0,0|2,0,0]=4 1130 B12R0.271 CCOC(C)(CC(C)C)CC(C)C 7a_200011217148_100000210202 [0,2,0,0,0,0|1,0,0]=3 1131 B12R0.398 CC=CC(CC(C)C)OC(C)(C)C 34a_100020643927_100000210625 [0,2,0,0,0,0|1,0,1]=4 1132 B12R0.398 CCCC(CC(C)C)OC(C)(C)C 34a_100011351045_100000210625 [0,2,0,0,0,0|1,0,0]=3 1133 B12R0.398 CCCC(CC(C)C)OC(F)(F)F 34a_100011351045_200103152311 [0,2,0,0,0,0|2,0,0]=4 1134 B12R0.398 CCCC(CC(C)C)OC(F)(F)F 7a_100011351045_200000243211 [0,2,0,0,0,0|2,0,0]=4 1135 B12R0.399 C#CC(C)OC(C=CC)CC(C)C 34a_100020643927_200000035995 [0,2,0,0,0,0|1,0,1]=4 1136 B12R0.399 C#CC(C)OC(CCC)CC(C)C 34a_100011351045_200000035995 [0,2,0,0,0,0|1,0,0]=3 1137 B12R0.399 CC=CC(CC(C)C)OC(C)C#N 7a_100020643927_100000703298 [0,2,0,0,0,0|1,0,1]=4 1138 B12R0.399 CC=CC(CC(C)C)OC(C)CC 34a_100020643927_100011215416 [0,2,0,0,0,0|1,0,1]=4 1139 B12R0.399 CC=CC(CC(C)C)OC(C)CC 7a_100020643927_100000758301 [0,2,0,0,0,0|1,0,1]=4 1140 B12R0.399 CC=CC(CC(C)C)OC(C)CO 34a_100020643927_100012180447 [0,2,0,0,0,0|1,0,1]=4 1141 B12R0.399 CC=CC(CC(C)C)OC(C)CO 7a_100020643927_100012180447 [0,2,0,0,0,0|1,0,1]=4 1142 B12R0.399 CCCC(CC(C)C)OC(C)C#N 7a_100011351045_100000703298 [0,2,0,0,0,0|1,0,0]=3 1143 B12R0.399 CCCC(CC(C)C)OC(C)CC 34a_100011351045_100011215416 [0,2,0,0,0,0|1,0,0]=3 1144 B12R0.399 CCCC(CC(C)C)OC(C)CC 7a_100011351045_100000758301 [0,2,0,0,0,0|1,0,0]=3 1145 B12R0.399 CCCC(CC(C)C)OC(C)CO 34a_100011351045_100012180447 [0,2,0,0,0,0|1,0,0]=3 1146 B12R0.399 CCCC(CC(C)C)OC(C)CO 7a_100011351045_100012180447 [0,2,0,0,0,0|1,0,0]=3 1147 B12R0.247 CCCO[C@H](CC(C)C)C(=O)OC 34a_100014169393_100000210303 [0,2,0,0,0,0|2,0,0]=4 1148 B12R0.247 CCCO[C@H](CC(C)C)C(=O)OC 7a_100014169393_100000210303 [0,2,0,0,0,0|2,0,0]=4 1149 B12R0.247 COC(=O)[C@@H](CC(C)C)OCCF 34a_100014169393_100011217306 [0,2,0,0,0,0|2,0,0]=4 1150 B12R0.247 COC(=O)[C@@H](CC(C)C)OCCF 7a_100014169393_100011217306 [0,2,0,0,0,0|2,0,0]=4 1151 B12R0.247 COC(=O)[C@@H](CC(C)C)OCCO 34a_100014169393_100000211926 [0,2,0,0,0,0|2,0,0]=4 1152 B12R0.247 COC(=O)[C@@H](CC(C)C)OCCO 7a_100014169393_100000211926 [0,2,0,0,0,0|2,0,0]=4 1153 B12R0.247 COC(=O)[C@@H](CC(C)C)OCSC 34a_100014169393_100011218213 [0,2,0,0,0,0|2,0,0]=4 1154 B12R0.284 CCCC(NC(C)C)C(=O)OCC 2230a_100138425928_100000695697 [0,2,0,0,0,0|2,0,0]=4 1155 B12R0.284 CCCC(NC(C)C)C(=O)OCC 34a_100138425928_100000695697 [0,2,0,0,0,0|2,0,0]=4 1156 B12R0.284 CCCC(OC(C)C)C(=O)OCC 34a_100000212225_100000695697 [0,2,0,0,0,0|2,0,0]=4 1157 B12R0.284 CCCC(OC(C)C)C(=O)OCC 34a_200011218214_100000210206 [0,2,0,0,0,0|2,0,0]=4 1158 B12R0.284 CCCC(OC(C)C)C(=O)OCC 7a_200011218214_100000210206 [0,2,0,0,0,0|2,0,0]=4 1159 B12R0.284 CCCC(SC(C)C)C(=O)OCC 62a_100000210206_100000695697 [0,2,0,0,0,0|2,0,0]=4 1160 B12R0.284 CCCC(SC(C)C)C(=O)OCC 62a_100000695697_100000210206 [0,2,0,0,0,0|2,0,0]=4 1161 B12R0.284 CCNC(CC(C)C)C(=O)OCC 2230a_100015525214_100010269446 [0,2,0,0,0,0|1,0,0]=3 1162 B12R0.284 CCOC(=O)C(CC(C)C)OCC 34a_100011626094_100000210202 [0,2,0,0,0,0|0,0,0]=2 1163 B12R0.284 CCOC(=O)C(CC(C)C)OCC 34a_100121572206_100010269446 [0,2,0,0,0,0|0,0,0]=2 1164 B12R0.284 CCOC(=O)C(CC(C)C)OCC 7a_100011626094_100000210202 [0,2,0,0,0,0|0,0,0]=2 1165 B12R0.284 CCOC(=O)C(CC(C)C)OCF 34a_100011626094_100015361967 [0,2,0,0,0,0|1,0,0]=3 1166 B12R0.284 CCOC(=O)C(CC(C)C)OCF 7a_100011626094_100015361967 [0,2,0,0,0,0|1,0,0]=3 1167 B12R0.284 CCOC(=O)C(CC(C)C)SCC 62a_100000210202_100010269446 [0,2,0,0,0,0|0,1,0]=3 1168 B12R0.284 CCOC(=O)C(CC(C)C)SCC 62a_100010269446_100000210202 [0,2,0,0,0,0|0,1,0]=3 1169 B12R0.284 CCOC(=O)C(CC(C)C)SCF 62a_100010269446_100015361967 [0,2,0,0,0,0|1,1,0]=4 1170 B12R0.284 CCOC(=O)C(CC(C)C)SCF 62a_100015361967_100010269446 [0,2,0,0,0,0|1,1,0]=4 1171 B12R0.284 CCOC(=O)C(NC(C)C)OCC 34a_100138425928_100000033883 [0,2,0,0,0,0|1,0,0]=3 1172 B12R0.284 CCOC(=O)C(OCC)OC(C)C 34a_100000212225_100000033883 [0,2,0,0,0,0|1,0,0]=3 1173 B12R0.284 CCOC(=O)C(OCC)SC(C)C 62a_100000033883_100000210206 [0,2,0,0,0,0|1,0,0]=3 1174 B12R0.284 CCOC(=O)C(OCC)SC(C)C 62a_100000210206_100000033883 [0,2,0,0,0,0|1,0,0]=3 1175 B12R0.9 CCCN(COCC)CC(C)(C)C 269982a_107254831479_100000739092 [0,2,0,0,0,0|2,0,0]=4 1176 B12R0.13 CCCN(COCC)C(C)C(C)C 269982a_200015185082_100000739092 [0,2,0,0,0,0|2,0,0]=4 1177 B12R0.243 C#CCOC(C#CCC)CC(C)C 34a_200000035896_100000184674 [0,2,0,0,0,0|1,0,1]=4 1178 B12R0.243 C#CCOC(C#CCC)CC(C)C 7a_200000035896_100000038162 [0,2,0,0,0,0|1,0,1]=4 1179 B12R0.243 C=CCOC(C#CCC)CC(C)C 34a_200000035896_100015514636 [0,2,0,0,0,0|1,0,1]=4 1180 B12R0.243 C=CCOC(C#CCC)CC(C)C 7a_200000035896_100015514636 [0,2,0,0,0,0|1,0,1]=4 1181 B12R0.243 CCC#CC(CC(C)C)OCC#N 7a_200000035896_100011215382 [0,2,0,0,0,0|1,0,1]=4 1182 B12R0.243 CCC#CC(CC(C)C)OCC=O 34a_200000035896_200009817547 [0,2,0,0,0,0|1,0,1]=4 1183 B12R0.243 CCC#CC(CC(C)C)OCC=O 7a_200000035896_200015260668 [0,2,0,0,0,0|1,0,1]=4 1184 B12R0.243 CCC#CC(CC(C)C)OCCC 34a_200000035896_100000210303 [0,2,0,0,0,0|1,0,0]=3 1185 B12R0.243 CCC#CC(CC(C)C)OCCC 7a_200000035896_100000210303 [0,2,0,0,0,0|1,0,0]=3 1186 B12R0.243 CCC#CC(CC(C)C)OCCF 34a_200000035896_100011217306 [0,2,0,0,0,0|1,0,0]=3 1187 B12R0.243 CCC#CC(CC(C)C)OCCF 7a_200000035896_100011217306 [0,2,0,0,0,0|1,0,0]=3 1188 B12R0.243 CCC#CC(CC(C)C)OCCO 34a_200000035896_100000211926 [0,2,0,0,0,0|1,0,0]=3 1189 B12R0.243 CCC#CC(CC(C)C)OCCO 7a_200000035896_100000211926 [0,2,0,0,0,0|1,0,0]=3 1190 B12R0.243 CCC#CC(CC(C)C)OCSC 34a_200000035896_100011218213 [0,2,0,0,0,0|1,0,0]=3 1191 B12R0.243 CCOCC(COCC)OC(C)C 34a_100000758971_100000210206 [0,2,0,0,0,0|1,0,0]=3 1192 B12R0.243 CCOCC(COCC)OC(C)C 7a_100000758971_100000210206 [0,2,0,0,0,0|1,0,0]=3 1193 B12R0.256 C#CCCOC(C=CC)CC(C)C 34a_100020643927_100000688953 [0,2,0,0,0,0|1,0,1]=4 1194 B12R0.256 C#CCCOC(C=CC)CC(C)C 7a_100020643927_100000688953 [0,2,0,0,0,0|1,0,1]=4 1195 B12R0.256 C#CCCOC(CCC)CC(C)C 34a_100011351045_100000688953 [0,2,0,0,0,0|1,0,0]=3 1196 B12R0.256 C#CCCOC(CCC)CC(C)C 7a_100011351045_100000688953 [0,2,0,0,0,0|1,0,0]=3 1197 B12R0.256 C/C=C/COC(CCC)CC(C)C 34a_100011351045_100102629194 [0,2,0,0,0,0|1,0,0]=3 1198 B12R0.256 C/C=C/COC(CCC)CC(C)C 7a_100011351045_100102629194 [0,2,0,0,0,0|1,0,0]=3 1199 B12R0.256 C=CCCOC(C=CC)CC(C)C 34a_100020643927_100000754431 [0,2,0,0,0,0|1,0,1]=4 1200 B12R0.256 C=CCCOC(C=CC)CC(C)C 7a_100020643927_100000754431 [0,2,0,0,0,0|1,0,1]=4 1201 B12R0.256 C=CCCOC(CCC)CC(C)C 34a_100011351045_100000754431 [0,2,0,0,0,0|1,0,0]=3 1202 B12R0.256 C=CCCOC(CCC)CC(C)C 7a_100011351045_100000754431 [0,2,0,0,0,0|1,0,0]=3 1203 B12R0.256 CC#CCOC(C=CC)CC(C)C 34a_100020643927_100000748600 [0,2,0,0,0,0|1,0,1]=4 1204 B12R0.256 CC#CCOC(C=CC)CC(C)C 7a_100020643927_100000748600 [0,2,0,0,0,0|1,0,1]=4 1205 B12R0.256 CC#CCOC(CCC)CC(C)C 34a_100011351045_100000748600 [0,2,0,0,0,0|1,0,0]=3 1206 B12R0.256 CC#CCOC(CCC)CC(C)C 7a_100011351045_100000748600 [0,2,0,0,0,0|1,0,0]=3 1207 B12R0.256 CC=CC(CC(C)C)OC/C=C/C 34a_100020643927_100102629194 [0,2,0,0,0,0|1,0,1]=4 1208 B12R0.256 CC=CC(CC(C)C)OC/C=C/C 7a_100020643927_100102629194 [0,2,0,0,0,0|1,0,1]=4 1209 B12R0.256 CC=CC(CC(C)C)OCCC#N 7a_100020643927_100000184422 [0,2,0,0,0,0|1,0,1]=4 1210 B12R0.256 CC=CC(CC(C)C)OCCCC 34a_100020643927_100000210210 [0,2,0,0,0,0|1,0,1]=4 1211 B12R0.256 CC=CC(CC(C)C)OCCCC 7a_100020643927_100000210211 [0,2,0,0,0,0|1,0,1]=4 1212 B12R0.256 CC=CC(CC(C)C)OCCCF 34a_100020643927_100011934791 [0,2,0,0,0,0|1,0,1]=4 1213 B12R0.256 CC=CC(CC(C)C)OCCCF 7a_100020643927_100011934791 [0,2,0,0,0,0|1,0,1]=4 1214 B12R0.256 CC=CC(CC(C)C)OCCCO 34a_100020643927_100000230001 [0,2,0,0,0,0|1,0,1]=4 1215 B12R0.256 CC=CC(CC(C)C)OCCCO 7a_100020643927_100011215043 [0,2,0,0,0,0|1,0,1]=4 1216 B12R0.256 CC=CC(CC(C)C)OCCOC 34a_100020643927_100011201679 [0,2,0,0,0,0|1,0,1]=4 1217 B12R0.256 CC=CC(CC(C)C)OCCOC 7a_100020643927_100000233755 [0,2,0,0,0,0|1,0,1]=4 1218 B12R0.256 CC=CC(CC(C)C)OCCSC 34a_100020643927_100000212216 [0,2,0,0,0,0|1,0,1]=4 1219 B12R0.256 CC=CC(CC(C)C)OCCSC 7a_100020643927_100000212216 [0,2,0,0,0,0|1,0,1]=4 1220 B12R0.256 CC=CCOC(C=CC)CC(C)C 34a_100020643927_100000070051 [0,2,0,0,0,0|1,0,1]=4 1221 B12R0.256 CC=CCOC(C=CC)CC(C)C 7a_100020643927_100000070051 [0,2,0,0,0,0|1,0,1]=4 1222 B12R0.256 CC=CCOC(CCC)CC(C)C 34a_100011351045_100000070051 [0,2,0,0,0,0|1,0,0]=3 1223 B12R0.256 CC=CCOC(CCC)CC(C)C 7a_100011351045_100000070051 [0,2,0,0,0,0|1,0,0]=3 1224 B12R0.256 CCCC(CC(C)C)OCCC#N 7a_100011351045_100000184422 [0,2,0,0,0,0|1,0,0]=3 1225 B12R0.256 CCCC(CC(C)C)OCCCF 34a_100011351045_100011934791 [0,2,0,0,0,0|1,0,0]=3 1226 B12R0.256 CCCC(CC(C)C)OCCCF 7a_100011351045_100011934791 [0,2,0,0,0,0|1,0,0]=3 1227 B12R0.256 CCCC(CC(C)C)OCCCO 34a_100011351045_100000230001 [0,2,0,0,0,0|1,0,0]=3 1228 B12R0.256 CCCC(CC(C)C)OCCCO 7a_100011351045_100011215043 [0,2,0,0,0,0|1,0,0]=3 1229 B12R0.256 CCCC(CC(C)C)OCCOC 34a_100011351045_100011201679 [0,2,0,0,0,0|1,0,0]=3 1230 B12R0.256 CCCC(CC(C)C)OCCOC 7a_100011351045_100000233755 [0,2,0,0,0,0|1,0,0]=3 1231 B12R0.256 CCCC(CC(C)C)OCCSC 34a_100011351045_100000212216 [0,2,0,0,0,0|1,0,0]=3 1232 B12R0.256 CCCC(CC(C)C)OCCSC 7a_100011351045_100000212216 [0,2,0,0,0,0|1,0,0]=3 1233 B12R0.256 CCCCOC(CCC)CC(C)C 34a_100011351045_100000210210 [0,2,0,0,0,0|1,0,0]=3 1234 B12R0.256 CCCCOC(CCC)CC(C)C 7a_100011351045_100000210211 [0,2,0,0,0,0|1,0,0]=3 1235 B12R0.163 C#CC(C)C(=O)C(OCC)OCC 1458a_100000082760_200000035995 [0,2,0,0,0,0|0,0,2]=4 1236 B12R0.163 CCOC(OCC)C(=O)C(C)C#N 1458a_100000082760_100000703298 [0,2,0,0,0,0|0,0,2]=4 1237 B12R0.163 CCOC(OCC)C(=O)C(C)CC 1458a_100000082760_100000758301 [0,2,0,0,0,0|0,0,1]=3 1238 B12R0.163 CCOC(OCC)C(=O)N(C)CC 11a_100000225621_100000082760 [0,2,0,0,0,0|1,0,1]=4 1239 B12R0.163 CCOC(OCC)C(=O)N(C)CC 1626a_100000225621_100000082760 [0,2,0,0,0,0|1,0,1]=4 1240 B12R0.163 CCOC(OCC)C(=O)N(C)CC 240690a_100000225621_100000082760 [0,2,0,0,0,0|1,0,1]=4 1241 B12R0.163 CCOC(OCC)C(=O)N(C)CC 527a_100000225621_100000082760 [0,2,0,0,0,0|1,0,1]=4 1242 B12R0.163 CCOC(OCC)C(C)C(=O)CC 1458a_100000210414_100009815656 [0,2,0,0,0,0|1,0,1]=4 1243 B12R0.163 CCOC(OCC)C(C)C(=O)CO 1458a_100000210174_100009815656 [0,2,0,0,0,0|1,0,1]=4 1244 B12R0.22 C#CCC(=O)CC(OCC)OCC 1458a_100000082722_100000184674 [0,2,0,0,0,0|1,0,1]=4 1245 B12R0.22 C#CCC(=O)CC(OCC)OCC 1458a_100011220946_100000210512 [0,2,0,0,0,0|1,0,1]=4 1246 B12R0.22 C#CCN(C)CC(OCC)OCC 2230a_100000225692_100000210512 [0,2,0,0,0,0|1,0,0]=3 1247 B12R0.22 C#CCN(C)CC(OCC)OCC 34a_100000225692_100000210512 [0,2,0,0,0,0|1,0,0]=3 1248 B12R0.22 C#CCN(C)CC(OCC)OCC 34a_200000227172_100000184674 [0,2,0,0,0,0|1,0,0]=3 1249 B12R0.22 C=CCC(=O)CC(OCC)OCC 1458a_100000082722_100000210623 [0,2,0,0,0,0|1,0,1]=4 1250 B12R0.22 C=CCC(=O)CC(OCC)OCC 1458a_100000210193_100000210512 [0,2,0,0,0,0|1,0,1]=4 1251 B12R0.22 C=CCN(C)CC(OCC)OCC 2230a_100000225617_100000210512 [0,2,0,0,0,0|1,0,0]=3 1252 B12R0.22 C=CCN(C)CC(OCC)OCC 269982a_100000225617_100000733474 [0,2,0,0,0,0|1,0,0]=3 1253 B12R0.22 C=CCN(C)CC(OCC)OCC 269982a_200000227172_100000210623 [0,2,0,0,0,0|1,0,0]=3 1254 B12R0.22 C=CCN(C)CC(OCC)OCC 34a_200000227172_100015514636 [0,2,0,0,0,0|1,0,0]=3 1255 B12R0.22 CC#CC(=O)CC(OCC)OCC 1458a_100000763181_100000210512 [0,2,0,0,0,0|1,0,1]=4 1256 B12R0.22 CC=CC(=O)CC(OCC)OCC 1458a_100000210699_100000210512 [0,2,0,0,0,0|1,0,1]=4 1257 B12R0.22 CCCC(=O)CC(OCC)OCC 1458a_100000082722_100000210303 [0,2,0,0,0,0|1,0,1]=4 1258 B12R0.22 CCCC(=O)CC(OCC)OCC 1458a_100000211992_100000210512 [0,2,0,0,0,0|1,0,1]=4 1259 B12R0.22 CCCN(C)CC(OCC)OCC 2230a_100000747261_100000210512 [0,2,0,0,0,0|1,0,0]=3 1260 B12R0.22 CCCN(C)CC(OCC)OCC 269982a_100000747261_100000733474 [0,2,0,0,0,0|1,0,0]=3 1261 B12R0.22 CCCN(C)CC(OCC)OCC 269982a_200000227172_100000210303 [0,2,0,0,0,0|1,0,0]=3 1262 B12R0.22 CCCN(C)CC(OCC)OCC 34a_200000227172_100000210303 [0,2,0,0,0,0|1,0,0]=3 1263 B12R0.22 CCNC(=O)CC(OCC)OCC 11a_100015525214_100000082722 [0,2,0,0,0,0|1,0,1]=4 1264 B12R0.22 CCNC(=O)CC(OCC)OCC 240690a_100015525214_100000082722 [0,2,0,0,0,0|1,0,1]=4 1265 B12R0.22 CCNC(=O)CC(OCC)OCC 527a_100015525214_100000082722 [0,2,0,0,0,0|1,0,1]=4 1266 B12R0.22 CCOC(CC(=O)CC#N)OCC 1458a_100000082722_100011214920 [0,2,0,0,0,0|1,0,1]=4 1267 B12R0.22 CCOC(CC(=O)CC#N)OCC 1458a_100051588842_100000210512 [0,2,0,0,0,0|1,0,1]=4 1268 B12R0.22 CCOC(CC(=O)CCF)OCC 1458a_100000082722_100011217306 [0,2,0,0,0,0|1,0,1]=4 1269 B12R0.22 CCOC(CC(=O)CCO)OCC 1458a_100000082722_100000211926 [0,2,0,0,0,0|1,0,1]=4 1270 B12R0.22 CCOC(CC(=O)CCO)OCC 1458a_100011216618_100000210512 [0,2,0,0,0,0|1,0,1]=4 1271 B12R0.22 CCOC(CC(=O)COC)OCC 1458a_100000210968_100000210512 [0,2,0,0,0,0|1,0,1]=4 1272 B12R0.22 CCOC(CC(=O)CSC)OCC 1458a_100000184570_100000210512 [0,2,0,0,0,0|1,0,1]=4 1273 B12R0.22 CCOC(CC(=O)NNC)OCC 22a_100016993582_100000082722 [0,2,0,0,0,0|1,0,1]=4 1274 B12R0.22 CCOC(CN(C)CC#N)OCC 2230a_100000748184_100000210512 [0,2,0,0,0,0|1,0,0]=3 1275 B12R0.22 CCOC(CN(C)CC#N)OCC 269982a_200000227172_100011214920 [0,2,0,0,0,0|1,0,0]=3 1276 B12R0.22 CCOC(CN(C)CC=O)OCC 269982a_200000227172_200015260668 [0,2,0,0,0,0|1,0,0]=3 1277 B12R0.22 CCOC(CN(C)CC=O)OCC 34a_200000227172_200009817547 [0,2,0,0,0,0|1,0,0]=3 1278 B12R0.22 CCOC(CN(C)CCF)OCC 269982a_200000227172_100011217306 [0,2,0,0,0,0|1,0,0]=3 1279 B12R0.22 CCOC(CN(C)CCF)OCC 34a_200000227172_100011217306 [0,2,0,0,0,0|1,0,0]=3 1280 B12R0.22 CCOC(CN(C)CCO)OCC 2230a_100000210263_100000210512 [0,2,0,0,0,0|1,0,0]=3 1281 B12R0.22 CCOC(CN(C)CCO)OCC 269982a_100000210263_100000733474 [0,2,0,0,0,0|1,0,0]=3 1282 B12R0.22 CCOC(CN(C)CCO)OCC 269982a_200000227172_100000211926 [0,2,0,0,0,0|1,0,0]=3 1283 B12R0.22 CCOC(CN(C)CCO)OCC 34a_200000227172_100000211926 [0,2,0,0,0,0|1,0,0]=3 1284 B12R0.22 CCOC(CN(C)COC)OCC 269982a_200000227172_100000766300 [0,2,0,0,0,0|1,0,0]=3 1285 B12R0.22 CCOC(CN(C)CSC)OCC 269982a_200000227172_100011218213 [0,2,0,0,0,0|1,0,0]=3 1286 B12R0.22 CCOC(CN(C)CSC)OCC 34a_200000227172_100011218213 [0,2,0,0,0,0|1,0,0]=3 1287 B12R0.162 CCOC(CN(CC)CC)OCC 2230a_100000227179_100000210202 [0,2,0,0,0,0|1,0,0]=3 1288 B12R0.162 CCOC(CN(CC)CC)OCC 2230a_100000724800_100000210512 [0,2,0,0,0,0|1,0,0]=3 1289 B12R0.162 CCOC(CN(CC)CC)OCC 269956a_100000042499_100000210512 [0,2,0,0,0,0|1,0,0]=3 1290 B12R0.162 CCOC(CN(CC)CC)OCC 269982a_100000227179_100000204670 [0,2,0,0,0,0|1,0,0]=3 1291 B12R0.162 CCOC(CN(CC)CC)OCC 269982a_100000724800_100000733474 [0,2,0,0,0,0|1,0,0]=3 1292 B12R0.162 CCOC(CN(CC)CF)OCC 269982a_100000227179_100015361967 [0,2,0,0,0,0|1,0,0]=3 1293 B12R0.739 CCOP(=O)(CC(C)NC)OCC 270004a_106832991635_100000037088 [0,2,0,0,0,0|1,0,0]=3 1294 B12R0.739 CCOP(=O)(CN(C)CC)OCC 2230a_100000225621_100010393119 [0,2,0,0,0,0|2,0,0]=4 1295 B12R0.739 CCOP(=O)(CN(C)CC)OCC 269982a_100000225621_100000034688 [0,2,0,0,0,0|2,0,0]=4 1296 B12R0.739 CCO[Si](C)(CN(C)CC)OCC 269982a_100000225621_100000061259 [0,2,0,0,0,0|1,1,0]=4 1297 B10R1.8 CC1CC(CC(O1)C)O[13CH3] 34a_200000691454_200025704644 [1,0,0,1,0,0|2,0,0]=4 1298 B10R1.8 CC1CC(CC(O1)C)O[13CH3] 7a_200000691454_200025704644 [1,0,0,1,0,0|2,0,0]=4 1299 B10R1.8 CCN1CC(CC(C1)C)C 2230a_100000210448_100000210202 [1,0,0,1,0,0|2,0,0]=4 1300 B10R1.8 CCN1CC(CC(C1)C)C 269982a_100000210448_100000204670 [1,0,0,1,0,0|2,0,0]=4 1301 B10R1.8 CCN1CC(CC(C1)C)C 34a_100000210448_100000210202 [1,0,0,1,0,0|2,0,0]=4 1302 B10R1.8 CNC1CC(CC(C1)C)C 270004a_106832991635_100000753413 [1,0,0,1,0,0|2,0,0]=4 1303 B10R1.8 COC1CC(OC(C1)C)C 34a_200000691454_200000210301 [1,0,0,1,0,0|2,0,0]=4 1304 B10R1.8 COC1CC(OC(C1)C)C 7a_200000691454_200000210301 [1,0,0,1,0,0|2,0,0]=4 1305 B10R1.10 CC1CC(CCO1)OCF 34a_100011986385_100015361967 [1,0,0,1,0,0|2,0,0]=4 1306 B10R1.10 CC1CC(CCO1)OCF 7a_100011986385_100015361967 [1,0,0,1,0,0|2,0,0]=4 1307 B10R1.10 CC1CCCC(C1)NCF 34a_100011194320_100015361967 [1,0,0,1,0,0|2,0,0]=4 1308 B10R1.10 CC1CCCC(C1)OCF 34a_100000211399_100015361967 [1,0,0,1,0,0|1,0,0]=3 1309 B10R1.10 CCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210303 [1,0,0,1,0,0|2,0,0]=4 1310 B10R1.10 CCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210303 [1,0,0,1,0,0|2,0,0]=4 1311 B10R1.10 CCCN1CCC[C@@H](C1)C 34a_100000717927_100000210303 [1,0,0,1,0,0|2,0,0]=4 1312 B10R1.10 CCNC1CCCC(C1)C 2230a_100011194320_100000210202 [1,0,0,1,0,0|1,0,0]=3 1313 B10R1.10 CCNC1CCCC(C1)C 270004a_100015525214_100000183594 [1,0,0,1,0,0|1,0,0]=3 1314 B10R1.10 CCNC1CCCC(C1)C 34a_100011194320_100000210202 [1,0,0,1,0,0|1,0,0]=3 1315 B10R1.10 CCNC1CCCC(C1)O 2230a_100015190357_100000210202 [1,0,0,1,0,0|2,0,0]=4 1316 B10R1.10 CCNC1CCCC(C1)O 270004a_100015525214_100012613340 [1,0,0,1,0,0|2,0,0]=4 1317 B10R1.10 CCNC1CCN[C@@H](C1)C 270004a_100015525214_100016994030 [1,0,0,1,0,0|2,0,0]=4 1318 B10R1.10 CCNC1CCOC(C1)C 270004a_100015525214_100000755752 [1,0,0,1,0,0|2,0,0]=4 1319 B10R1.10 CCOC1C=C(CCC1)C 34a_100011218613_100000210202 [1,0,0,1,0,0|0,0,2]=4 1320 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [1,0,0,1,0,0|1,0,1]=4 1321 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [1,0,0,1,0,0|0,0,0]=2 1322 B10R1.10 CCOC1CCCN(C1)C 2230a_100000745229_200000210301 [1,0,0,1,0,0|1,0,0]=3 1323 B10R1.10 CCOC1CCCN(C1)C 269982a_100000745229_200000210301 [1,0,0,1,0,0|1,0,0]=3 1324 B10R1.10 CCOC1CCCN(C1)C 34a_100000745229_200000210301 [1,0,0,1,0,0|1,0,0]=3 1325 B10R1.10 CCOC1CCCN(C1)[13CH3] 2230a_100000745229_200025704644 [1,0,0,1,0,0|1,0,0]=3 1326 B10R1.10 CCOC1CCCN(C1)[13CH3] 269982a_100000745229_200025704644 [1,0,0,1,0,0|1,0,0]=3 1327 B10R1.10 CCOC1CCCN(C1)[13CH3] 34a_100000745229_200025704644 [1,0,0,1,0,0|1,0,0]=3 1328 B10R1.10 CCOC1CCOC(C1)C 34a_100011986385_100000210202 [1,0,0,1,0,0|1,0,0]=3 1329 B10R1.10 CCOC1CCOC(C1)C 7a_100011986385_100000210202 [1,0,0,1,0,0|1,0,0]=3 1330 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [1,0,0,1,0,0|1,0,1]=4 1331 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [1,0,0,1,0,0|1,0,1]=4 1332 B10R1.18 CC(C)NC1CCCCC1 2230a_100000182618_100000210206 [1,0,0,1,0,0|2,0,0]=4 1333 B10R1.18 CC(C)NC1CCCCC1 34a_100000182618_100000210206 [1,0,0,1,0,0|2,0,0]=4 1334 B10R1.18 CC(C)NC1CCCCC1 34a_100138425928_100000210327 [1,0,0,1,0,0|2,0,0]=4 1335 B10R1.18 CC(C)OC1CCCCC1 34a_100000210231_100000210206 [1,0,0,1,0,0|2,0,0]=4 1336 B10R1.18 CC(C)OC1CCCCC1 34a_100000212225_100000210327 [1,0,0,1,0,0|2,0,0]=4 1337 B10R1.18 CC(C)OC1CCCCC1 7a_100000210231_100000210206 [1,0,0,1,0,0|2,0,0]=4 1338 B10R1.18 CC(C)OC1CCCCO1 34a_100000033831_100000210206 [1,0,0,1,0,0|1,0,0]=3 1339 B10R1.18 CC(C)SC1CCCCC1 62a_100000210206_100000210327 [1,0,0,1,0,0|2,0,0]=4 1340 B10R1.18 CC(C)SC1CCCCC1 62a_100000210327_100000210206 [1,0,0,1,0,0|2,0,0]=4 1341 B10R1.18 CN(C)CC1CCCCC1 2230a_100000736448_200000210301 [1,0,0,1,0,0|2,0,0]=4 1342 B10R1.18 CN(C)CC1CCCCC1 2230a_100102631434_100000211423 [1,0,0,1,0,0|2,0,0]=4 1343 B10R1.18 CN(C)CC1CCCCC1 269982a_100000736448_200000210301 [1,0,0,1,0,0|2,0,0]=4 1344 B10R1.18 CN(C)CC1CCCCC1 269982a_100102631434_100000211423 [1,0,0,1,0,0|2,0,0]=4 1345 B10R1.18 CN(C)CC1CCCCC1 34a_100000736448_200000210301 [1,0,0,1,0,0|2,0,0]=4 1346 B10R1.18 CN(C)CC1CCCCO1 2230a_100000225654_200000210301 [1,0,0,1,0,0|1,0,0]=3 1347 B10R1.18 CN(C)CC1CCCCO1 2230a_100102631434_100000211543 [1,0,0,1,0,0|1,0,0]=3 1348 B10R1.18 CN(C)CC1CCCCO1 269982a_100000225654_200000210301 [1,0,0,1,0,0|1,0,0]=3 1349 B10R1.18 CN(C)CC1CCCCO1 269982a_100102631434_100000211543 [1,0,0,1,0,0|1,0,0]=3 1350 B10R1.18 CN(C)CC1CCCCO1 34a_100000225654_200000210301 [1,0,0,1,0,0|1,0,0]=3 1351 B10R1.18 CN(C)CC1COCCO1 2230a_100011398995_200000210301 [1,0,0,1,0,0|2,0,0]=4 1352 B10R1.18 CN(C)CC1COCCO1 269982a_100011398995_200000210301 [1,0,0,1,0,0|2,0,0]=4 1353 B10R1.18 CN(C)CC1COCCO1 34a_100011398995_200000210301 [1,0,0,1,0,0|2,0,0]=4 1354 B10R1.18 CN([13CH3])CC1CCCCC1 2230a_100000736448_200025704644 [1,0,0,1,0,0|2,0,0]=4 1355 B10R1.18 CN([13CH3])CC1CCCCC1 269982a_100000736448_200025704644 [1,0,0,1,0,0|2,0,0]=4 1356 B10R1.18 CN([13CH3])CC1CCCCC1 34a_100000736448_200025704644 [1,0,0,1,0,0|2,0,0]=4 1357 B10R1.18 CN([13CH3])CC1CCCCO1 2230a_100000225654_200025704644 [1,0,0,1,0,0|1,0,0]=3 1358 B10R1.18 CN([13CH3])CC1CCCCO1 269982a_100000225654_200025704644 [1,0,0,1,0,0|1,0,0]=3 1359 B10R1.18 CN([13CH3])CC1CCCCO1 34a_100000225654_200025704644 [1,0,0,1,0,0|1,0,0]=3 1360 B10R1.18 CN([13CH3])CC1COCCO1 2230a_100011398995_200025704644 [1,0,0,1,0,0|2,0,0]=4 1361 B10R1.18 CN([13CH3])CC1COCCO1 269982a_100011398995_200025704644 [1,0,0,1,0,0|2,0,0]=4 1362 B10R1.18 CN([13CH3])CC1COCCO1 34a_100011398995_200025704644 [1,0,0,1,0,0|2,0,0]=4 1363 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [1,0,0,1,0,0|1,0,1]=4 1364 B10R1.39 CCC1CCCC1N(C)C 270004a_100102631434_100000749056 [1,0,0,1,0,0|2,0,0]=4 1365 B10R1.39 CCC1CCCN1C(C)C 2230a_100000754278_100000210206 [1,0,0,1,0,0|2,0,0]=4 1366 B10R1.39 CCC1CCCN1C(C)C 269982a_100000754278_100000210206 [1,0,0,1,0,0|2,0,0]=4 1367 B10R1.39 CCC1CCCN1C(C)C 34a_100000754278_100000210206 [1,0,0,1,0,0|2,0,0]=4 1368 B10R1.39 CCN1CCCC1C(C)C 2230a_100000762757_100000210202 [1,0,0,1,0,0|2,0,0]=4 1369 B10R1.39 CCN1CCCC1C(C)C 269982a_100000762757_100000204670 [1,0,0,1,0,0|2,0,0]=4 1370 B10R1.39 CCN1CCCC1C(C)C 34a_100000762757_100000210202 [1,0,0,1,0,0|2,0,0]=4 1371 B10R1.54 CC(C)CN1CC[C@H](C1)C 2230a_100016987628_100000210760 [1,0,0,1,0,0|2,0,0]=4 1372 B10R1.54 CC(C)CN1CC[C@H](C1)C 269982a_100016987628_100000210624 [1,0,0,1,0,0|2,0,0]=4 1373 B10R1.54 CC(C)CN1CC[C@H](C1)C 270004a_100016987628_100000210432 [1,0,0,1,0,0|2,0,0]=4 1374 B10R1.54 CC(C)CN1CC[C@H](C1)C 34a_100016987628_100000210624 [1,0,0,1,0,0|2,0,0]=4 1375 B10R1.54 CC1CCC(C1)OC(C)C 34a_100000698185_100000210206 [1,0,0,1,0,0|2,0,0]=4 1376 B10R1.64 CC(C)CC1CCCN1C 2230a_100000748429_200000210301 [1,0,0,1,0,0|2,0,0]=4 1377 B10R1.64 CC(C)CC1CCCN1C 269982a_100000748429_200000210301 [1,0,0,1,0,0|2,0,0]=4 1378 B10R1.64 CC(C)CC1CCCN1C 34a_100000748429_200000210301 [1,0,0,1,0,0|2,0,0]=4 1379 B10R1.64 CC(C)CC1CCCN1[13CH3] 2230a_100000748429_200025704644 [1,0,0,1,0,0|2,0,0]=4 1380 B10R1.64 CC(C)CC1CCCN1[13CH3] 269982a_100000748429_200025704644 [1,0,0,1,0,0|2,0,0]=4 1381 B10R1.64 CC(C)CC1CCCN1[13CH3] 34a_100000748429_200025704644 [1,0,0,1,0,0|2,0,0]=4 1382 B10R1.64 CC(C)CN1CCC[C@@H]1C 2230a_100020605311_100000210760 [1,0,0,1,0,0|2,0,0]=4 1383 B10R1.64 CC(C)CN1CCC[C@@H]1C 269982a_100020605311_100000210624 [1,0,0,1,0,0|2,0,0]=4 1384 B10R1.64 CC(C)CN1CCC[C@@H]1C 270004a_100020605311_100000210432 [1,0,0,1,0,0|2,0,0]=4 1385 B10R1.64 CC(C)CN1CCC[C@H]1C 2230a_100015189458_100000210760 [1,0,0,1,0,0|2,0,0]=4 1386 B10R1.64 CC(C)CN1CCC[C@H]1C 269982a_100015189458_100000210624 [1,0,0,1,0,0|2,0,0]=4 1387 B10R1.64 CC(C)CN1CCC[C@H]1C 270004a_100015189458_100000210432 [1,0,0,1,0,0|2,0,0]=4 1388 B10R1.64 CC(C)CN1CCC[C@H]1C 34a_100015189458_100000210624 [1,0,0,1,0,0|2,0,0]=4 1389 B10R1.64 CC(C)OC1CCCC1C 34a_100011216460_100000210206 [1,0,0,1,0,0|2,0,0]=4 1390 B10R1.64 CC(C)OC1CCCC1C 7a_100011216460_100000210206 [1,0,0,1,0,0|2,0,0]=4 1391 B10R1.69 CCCC(CC)OC1CC1 34a_100000687864_100000211595 [1,0,0,1,0,0|2,0,0]=4 1392 B10R1.69 CCCC(CC)SC1CC1 62a_100011219200_100000211595 [1,0,0,1,0,0|2,0,0]=4 1393 B10R1.69 CCCN(CC)CC1CC1 2230a_100000210729_100000210202 [1,0,0,1,0,0|2,0,0]=4 1394 B10R1.69 CCCN(CC)CC1CC1 2230a_100000226822_100000742324 [1,0,0,1,0,0|2,0,0]=4 1395 B10R1.69 CCCN(CC)CC1CC1 269982a_100000210729_100000204670 [1,0,0,1,0,0|2,0,0]=4 1396 B10R1.69 CCCN(CC)CC1CC1 269982a_100000226822_100000756562 [1,0,0,1,0,0|2,0,0]=4 1397 B10R1.69 CCCN(CC)CC1CC1 34a_100000210729_100000210202 [1,0,0,1,0,0|2,0,0]=4 1398 B10R1.95 CCCN1CCC(C1)(C)C 2230a_100000764714_100000210303 [1,0,0,1,0,0|2,0,0]=4 1399 B10R1.95 CCCN1CCC(C1)(C)C 269982a_100000764714_100000210303 [1,0,0,1,0,0|2,0,0]=4 1400 B10R1.95 CCNC1CCC(C1)(C)C 270004a_100015525214_100000759959 [1,0,0,1,0,0|1,0,0]=3 1401 B10R1.171 CC1(CC(CCO1)O[13CH3])C 34a_100000693217_200025704644 [1,0,0,1,0,0|2,0,0]=4 1402 B10R1.171 CC1(CC(CCO1)O[13CH3])C 7a_100000693217_200025704644 [1,0,0,1,0,0|2,0,0]=4 1403 B10R1.171 CC1(CCCC(C1)O[13CH3])C 7a_100011995757_200025704644 [1,0,0,1,0,0|1,0,0]=3 1404 B10R1.171 CCN1CCCC(C1)(C)C 2230a_100000716857_100000210202 [1,0,0,1,0,0|2,0,0]=4 1405 B10R1.171 CCN1CCCC(C1)(C)C 269982a_100000716857_100000204670 [1,0,0,1,0,0|2,0,0]=4 1406 B10R1.171 CCN1CCCC(C1)(C)C 34a_100000716857_100000210202 [1,0,0,1,0,0|2,0,0]=4 1407 B10R1.171 CNC1CCCC(C1)(C)C 270004a_106832991635_100000031663 [1,0,0,1,0,0|2,0,0]=4 1408 B10R1.171 COC1CCCC(C1)(C)C 7a_100011995757_200000210301 [1,0,0,1,0,0|1,0,0]=3 1409 B10R1.171 COC1CCOC(C1)(C)C 34a_100000693217_200000210301 [1,0,0,1,0,0|2,0,0]=4 1410 B10R1.171 COC1CCOC(C1)(C)C 34a_100138415774_100010191092 [1,0,0,1,0,0|2,0,0]=4 1411 B10R1.171 COC1CCOC(C1)(C)C 7a_100000693217_200000210301 [1,0,0,1,0,0|2,0,0]=4 1412 B10R1.374 CCC(NC(C)C)C1CC1 2230a_100025715781_100000210206 [1,0,0,1,0,0|2,0,0]=4 1413 B10R1.374 CCC(NC(C)C)C1CC1 34a_100025715781_100000210206 [1,0,0,1,0,0|2,0,0]=4 1414 B10R1.374 CCC(OC(C)C)C1CC1 34a_100011351122_100000210206 [1,0,0,1,0,0|2,0,0]=4 1415 B10R1.374 CCC(OC(C)C)C1CC1 7a_100011351122_100000210206 [1,0,0,1,0,0|2,0,0]=4 1416 B10R1.374 CCN(CC(C)C)C1CC1 2230a_100000737031_100000210202 [1,0,0,1,0,0|2,0,0]=4 1417 B10R1.374 CCN(CC(C)C)C1CC1 2230a_100000738653_100000210760 [1,0,0,1,0,0|2,0,0]=4 1418 B10R1.374 CCN(CC(C)C)C1CC1 269982a_100000737031_100000204670 [1,0,0,1,0,0|2,0,0]=4 1419 B10R1.374 CCN(CC(C)C)C1CC1 269982a_100000738554_100000211595 [1,0,0,1,0,0|2,0,0]=4 1420 B10R1.374 CCN(CC(C)C)C1CC1 269982a_100000738653_100000210624 [1,0,0,1,0,0|2,0,0]=4 1421 B10R1.374 CCN(CC(C)C)C1CC1 270004a_100000738653_100000210432 [1,0,0,1,0,0|2,0,0]=4 1422 B10R1.374 CCN(CC(C)C)C1CC1 34a_100000737031_100000210202 [1,0,0,1,0,0|2,0,0]=4 1423 B10R1.394 CCCC1(CC1)NC(C)C 2230a_100015185929_100000210206 [1,0,0,1,0,0|2,0,0]=4 1424 B10R1.394 CCNC1(CC1)CC(C)C 2230a_100000732712_100000210202 [1,0,0,1,0,0|1,0,0]=3 1425 B10R1.5 CCNC1CCCC1CC 269862a_100015525214_100000749056 [1,0,0,1,0,0|2,0,0]=4 1426 B10R1.5 CCNC1CCCC1CC 270004a_100015525214_100000749056 [1,0,0,1,0,0|2,0,0]=4 1427 B10R1.85 CCNC1CCCCCC1 2230a_100000210984_100000210202 [1,0,0,1,0,0|2,0,0]=4 1428 B10R1.85 CCNC1CCCCCC1 270004a_100015525214_100000210131 [1,0,0,1,0,0|2,0,0]=4 1429 B10R1.85 CCNC1CCCCCC1 34a_100000210984_100000210202 [1,0,0,1,0,0|2,0,0]=4 1430 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [1,0,0,1,0,0|1,0,0]=3 1431 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [1,0,0,1,0,0|1,0,0]=3 1432 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [1,0,0,1,0,0|1,0,0]=3 1433 B10R1.85 CCSC1CCCCCC1 62a_100000210202_100011217769 [1,0,0,1,0,0|1,1,0]=4 1434 B10R1.85 CCSC1CCCCCC1 62a_100011217769_100000210202 [1,0,0,1,0,0|1,1,0]=4 1435 B10R1.85 FCOC1CCCCCC1 34a_100000210887_100015361967 [1,0,0,1,0,0|2,0,0]=4 1436 B10R1.85 FCOC1CCCCCC1 7a_100000210887_100015361967 [1,0,0,1,0,0|2,0,0]=4 1437 B10R1.4 CC1CCCCC1OCF 34a_100000211207_100015361967 [0,0,0,1,1,0|2,0,0]=4 1438 B10R1.4 CC1CCCCC1OCF 7a_100000211207_100015361967 [0,0,0,1,1,0|2,0,0]=4 1439 B10R1.4 CCNC1CCCCC1C 2230a_100000211402_100000210202 [0,0,0,1,1,0|2,0,0]=4 1440 B10R1.4 CCNC1CCCCC1C 269862a_100015525214_100000210921 [0,0,0,1,1,0|2,0,0]=4 1441 B10R1.4 CCNC1CCCCC1C 270004a_100015525214_100000210921 [0,0,0,1,1,0|2,0,0]=4 1442 B10R1.4 CCNC1CCCCC1C 34a_100000211402_100000210202 [0,0,0,1,1,0|2,0,0]=4 1443 B10R1.4 CCOC1CCCCC1C 34a_100000211207_100000210202 [0,0,0,1,1,0|1,0,0]=3 1444 B10R1.4 CCOC1CCCCC1C 7a_100000211207_100000210202 [0,0,0,1,1,0|1,0,0]=3 1445 B10R1.4 CCOC1CCCCC1Cl 34a_100000038908_100000210202 [0,0,0,1,1,0|2,0,0]=4 1446 B10R1.4 CCOC1CCCCC1Cl 7a_100000038908_100000210202 [0,0,0,1,1,0|2,0,0]=4 1447 B10R1.4 CCOC1CCCCC1F 34a_100121572206_100015423560 [0,0,0,1,1,0|2,0,0]=4 1448 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [0,0,0,1,1,0|2,0,0]=4 1449 B10R1.4 CCOC1CCNCC1C 34a_100011998114_100000210202 [0,0,0,1,1,0|2,0,0]=4 1450 B10R1.4 CCOC1CNCCC1C 34a_100000696640_100000210202 [0,0,0,1,1,0|2,0,0]=4 1451 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210202 [0,0,0,1,1,0|2,0,0]=4 1452 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210202 [0,0,0,1,1,0|2,0,0]=4 1453 B10R1.4 CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210202 [0,0,0,1,1,0|2,0,0]=4 1454 B10R1.113 CC(C)C1CN(CCO1)C 2230a_100000697742_200000210301 [0,0,0,1,1,0|2,0,0]=4 1455 B10R1.113 CC(C)C1CN(CCO1)C 269982a_100000697742_200000210301 [0,0,0,1,1,0|2,0,0]=4 1456 B10R1.113 CC(C)C1CN(CCO1)C 34a_100000697742_200000210301 [0,0,0,1,1,0|2,0,0]=4 1457 B10R1.113 CC(C)C1CN(CCO1)[13CH3] 2230a_100000697742_200025704644 [0,0,0,1,1,0|2,0,0]=4 1458 B10R1.113 CC(C)C1CN(CCO1)[13CH3] 269982a_100000697742_200025704644 [0,0,0,1,1,0|2,0,0]=4 1459 B10R1.113 CC(C)C1CN(CCO1)[13CH3] 34a_100000697742_200025704644 [0,0,0,1,1,0|2,0,0]=4 1460 B10R1.133 CC1(CCCC1OCF)C 34a_100000726220_100015361967 [0,0,0,1,1,0|2,0,0]=4 1461 B10R1.133 CC1(CCCC1OCF)C 7a_100000726220_100015361967 [0,0,0,1,1,0|2,0,0]=4 1462 B10R1.133 CCNC1CCCC1(C)C 269862a_100015525214_100000065263 [0,0,0,1,1,0|2,0,0]=4 1463 B10R1.133 CCOC1CCCC1(C)C 34a_100000726220_100000210202 [0,0,0,1,1,0|1,0,0]=3 1464 B10R1.133 CCOC1CCCC1(C)C 7a_100000726220_100000210202 [0,0,0,1,1,0|1,0,0]=3 1465 B10R1.381 CCOC1(COC1)C(C)C 7a_100010739966_100000210202 [0,0,0,1,1,0|2,0,0]=4 1466 B12R1.81 CCC1CCCC1NCC(C)C 269862a_100000210953_100000749056 [0,0,0,1,0,1|2,0,0]=4 1467 B12R1.81 CCC1CCCC1NCC(C)C 270004a_100000210953_100000749056 [0,0,0,1,0,1|2,0,0]=4 1468 B12R1.81 CCN1CCCC1CNC(C)C 2230a_100000211693_100000210206 [0,0,0,1,0,1|2,0,0]=4 1469 B12R1.81 CCN1CCC[C@@H]1COC(C)C 34a_100011739246_100000210206 [0,0,0,1,0,1|2,0,0]=4 1470 B12R1.81 CCN1CCC[C@@H]1COC(C)C 7a_100011739246_100000210206 [0,0,0,1,0,1|2,0,0]=4 1471 B12R1.226 CC(C)CNC1CCCC(C1)C 2230a_100011194320_100000210760 [0,0,0,1,0,1|2,0,0]=4 1472 B12R1.226 CC(C)CNC1CCCC(C1)C 270004a_100000210953_100000183594 [0,0,0,1,0,1|2,0,0]=4 1473 B12R1.226 CC(C)CNC1CCCC(C1)C 270004a_100011194320_100000210432 [0,0,0,1,0,1|2,0,0]=4 1474 B12R1.226 CC(C)CNC1CCCC(C1)C 34a_100011194320_100000210624 [0,0,0,1,0,1|2,0,0]=4 1475 B12R1.226 CC(C)COC1CCCC(C1)C 34a_100000211399_100000210624 [0,0,0,1,0,1|2,0,0]=4 1476 B12R1.279 CC(C)C1CCNC(C1)OCF 34a_100016151081_100015361967 [0,0,0,1,0,1|2,0,0]=4 1477 B12R1.279 CC(C)N1CCCC(C1)OCF 7a_100000209440_100015361967 [0,0,0,1,0,1|2,0,0]=4 1478 B12R1.279 CCOC1CC(CCN1)C(C)C 34a_100016151081_100000210202 [0,0,0,1,0,1|1,0,0]=3 1479 B12R1.279 CCOC1CCCN(C1)C(C)C 2230a_100000745229_100000210206 [0,0,0,1,0,1|1,0,0]=3 1480 B12R1.279 CCOC1CCCN(C1)C(C)C 269982a_100000745229_100000210206 [0,0,0,1,0,1|1,0,0]=3 1481 B12R1.279 CCOC1CCCN(C1)C(C)C 34a_100000745229_100000210206 [0,0,0,1,0,1|1,0,0]=3 1482 B12R1.279 CCOC1CCCN(C1)C(C)C 7a_100000209440_100000210202 [0,0,0,1,0,1|1,0,0]=3 1483 B12R1.279 COCC1CN(CCO1)C(C)C 2230a_100000760289_100000210206 [0,0,0,1,0,1|2,0,0]=4 1484 B12R1.279 COCC1CN(CCO1)C(C)C 269982a_100000760289_100000210206 [0,0,0,1,0,1|2,0,0]=4 1485 B12R1.279 COCC1CN(CCO1)C(C)C 34a_100000760289_100000210206 [0,0,0,1,0,1|2,0,0]=4 1486 B12R1.1343 CC(C)CNC1CCCCCC1 2230a_100000210984_100000210760 [0,0,0,1,0,1|2,0,0]=4 1487 B12R1.1343 CC(C)CNC1CCCCCC1 270004a_100000210953_100000210131 [0,0,0,1,0,1|2,0,0]=4 1488 B12R1.1343 CC(C)CNC1CCCCCC1 270004a_100000210984_100000210432 [0,0,0,1,0,1|2,0,0]=4 1489 B12R1.1343 CC(C)CNC1CCCCCC1 34a_100000210953_100011217769 [0,0,0,1,0,1|2,0,0]=4 1490 B12R1.1343 CC(C)CNC1CCCCCC1 34a_100000210984_100000210624 [0,0,0,1,0,1|2,0,0]=4 1491 B12R1.1343 CC(C)COC1CCCCCC1 34a_100000210257_100011217769 [0,0,0,1,0,1|2,0,0]=4 1492 B12R1.1343 CC(C)COC1CCCCCC1 34a_100000210887_100000210624 [0,0,0,1,0,1|2,0,0]=4 1493 B12R1.1343 CC(C)COC1CCCCCC1 7a_100000210887_100000210760 [0,0,0,1,0,1|2,0,0]=4 1494 B12R1.1343 CC(C)CSC1CCCCCC1 62a_100000210624_100011217769 [0,0,0,1,0,1|2,0,0]=4 1495 B12R1.1343 CC(C)CSC1CCCCCC1 62a_100011217769_100000210760 [0,0,0,1,0,1|2,0,0]=4 1496 B12R1.1343 CC(C)NCC1CCCCCC1 2230a_100015204231_100000210206 [0,0,0,1,0,1|2,0,0]=4 1497 B12R1.1343 CC(C)NCC1CCCCCC1 2230a_100138425928_200000696569 [0,0,0,1,0,1|2,0,0]=4 1498 B12R1.1343 CC(C)NCC1CCCCCC1 34a_100015204231_100000210206 [0,0,0,1,0,1|2,0,0]=4 1499 B12R1.1343 CC(C)NCC1CCCCCC1 34a_100138425928_200000696569 [0,0,0,1,0,1|2,0,0]=4 1500 B12R1.1343 CC(C)OCC1CCCCCC1 34a_100000212225_200000696569 [0,0,0,1,0,1|2,0,0]=4 1501 B12R1.1343 CC(C)OCC1CCCCCC1 34a_100000699130_100000210206 [0,0,0,1,0,1|2,0,0]=4 1502 B12R1.1343 CC(C)OCC1CCCCCC1 7a_100000699130_100000210206 [0,0,0,1,0,1|2,0,0]=4 1503 B12R1.1343 CC(C)SCC1CCCCCC1 62a_100000210206_200000696569 [0,0,0,1,0,1|2,0,0]=4 1504 B12R1.1343 CC(C)SCC1CCCCCC1 62a_200000696569_100000210206 [0,0,0,1,0,1|2,0,0]=4 1505 B12R1.1465 CCCC1(CCC1)CNC(C)C 2230a_100000687467_100000210206 [0,0,0,1,0,1|2,0,0]=4 1506 B12R1.1511 CCCC(CCC)COC1CC1 34a_200011215456_100000211595 [0,0,0,1,0,1|2,0,0]=4 1507 B12R1.1511 CCCC(CCC)NCC1CC1 2230a_100011207992_100000742324 [0,0,0,1,0,1|2,0,0]=4 1508 B12R1.1511 CCCC(CCC)NCC1CC1 269862a_100011207992_100000741477 [0,0,0,1,0,1|2,0,0]=4 1509 B12R1.1511 CCCC(CCC)NCC1CC1 270004a_100000735609_100000210088 [0,0,0,1,0,1|2,0,0]=4 1510 B12R1.1511 CCCC(CCC)NCC1CC1 34a_100000735609_200011218217 [0,0,0,1,0,1|2,0,0]=4 1511 B12R1.1511 CCCC(CCC)NCC1CC1 34a_100011207992_100000742324 [0,0,0,1,0,1|2,0,0]=4 1512 B12R1.1511 CCCC(CCC)OCC1CC1 34a_100000211283_200011218217 [0,0,0,1,0,1|2,0,0]=4 1513 B12R1.1511 CCCC(CCC)OCC1CC1 34a_200011218534_100000742324 [0,0,0,1,0,1|2,0,0]=4 1514 B12R1.1511 CCCC(CCC)OCC1CC1 7a_200011218534_100000742324 [0,0,0,1,0,1|2,0,0]=4 1515 B12R1.1511 CCCC(CCC)SCC1CC1 62a_100000756562_200011218217 [0,0,0,1,0,1|2,0,0]=4 1516 B12R1.1511 CCCC(CCC)SCC1CC1 62a_200011218217_100000742324 [0,0,0,1,0,1|2,0,0]=4 1517 B12R1.1511 CCOC(CNC1CC1)OCC 34a_100000211098_100000211595 [0,0,0,1,0,1|0,0,0]=2 1518 B12R1.1511 CCOC(CNC1CC1)OCC 34a_100000212008_100000210512 [0,0,0,1,0,1|0,0,0]=2 1519 B12R1.1511 CCOC(COC1CC1)OCC 34a_100011216334_100000211595 [0,0,0,1,0,1|0,0,0]=2 1520 B12R1.1511 CCOC(CSC1CC1)OCC 62a_100000210512_100000211595 [0,0,0,1,0,1|0,0,0]=2 1521 B12R1.1513 CCCC(CCC)N1CC(C1)C 269982a_100000702820_200011218217 [0,0,0,1,0,1|2,0,0]=4 1522 B12R1.1513 CCCC(CCC)N1CC(C1)C 270004a_100000702820_100000210088 [0,0,0,1,0,1|2,0,0]=4 1523 B12R1.1513 CCCC(CCC)N1CC(C1)C 34a_100000702820_200011218217 [0,0,0,1,0,1|2,0,0]=4 1524 B12R1.42 CCNC1CC(CC(C1)(C)C)C 2230a_100011207991_100000210202 [0,1,0,1,0,0|2,0,0]=4 1525 B12R1.42 CCNC1CC(CC(C1)(C)C)C 270004a_100015525214_100000209998 [0,1,0,1,0,0|2,0,0]=4 1526 B12R1.42 CCOC1C=C(CC(C1)(C)C)C 34a_100000211225_100000210202 [0,1,0,1,0,0|1,0,1]=4 1527 B12R1.101 CC(C)OC1CC(OC(C1)C)C 34a_200000691454_100000210206 [0,1,0,1,0,0|2,0,0]=4 1528 B12R1.101 CC(C)OC1CC(OC(C1)C)C 7a_200000691454_100000210206 [0,1,0,1,0,0|2,0,0]=4 1529 B12R1.392 CC(C)CC1CCCN1C(C)C 2230a_100000748429_100000210206 [0,1,0,1,0,0|2,0,0]=4 1530 B12R1.392 CC(C)CC1CCCN1C(C)C 269982a_100000748429_100000210206 [0,1,0,1,0,0|2,0,0]=4 1531 B12R1.392 CC(C)CC1CCCN1C(C)C 34a_100000748429_100000210206 [0,1,0,1,0,0|2,0,0]=4 1532 B12R1.1531 CC=CC(CC(C)C)OC1CC1 34a_100020643927_100000211595 [0,1,0,1,0,0|1,0,1]=4 1533 B12R1.1531 CCCC(CC(C)C)OC1CC1 34a_100011351045_100000211595 [0,1,0,1,0,0|1,0,0]=3 1534 B12R1.1821 CC(C)OC1CCCC(C1)(C)C 7a_100011995757_100000210206 [0,1,0,1,0,0|1,0,0]=3 1535 B12R1.1821 CC(C)OC1CCOC(C1)(C)C 34a_100000212225_100010191092 [0,1,0,1,0,0|2,0,0]=4 1536 B12R1.1821 CC(C)OC1CCOC(C1)(C)C 34a_100000693217_100000210206 [0,1,0,1,0,0|2,0,0]=4 1537 B12R1.1821 CC(C)OC1CCOC(C1)(C)C 7a_100000693217_100000210206 [0,1,0,1,0,0|2,0,0]=4 1538 B12R1.75 CC(C)CC1COCCN1CF 269982a_100000755734_100015361967 [0,1,0,1,0,0|2,0,0]=4 1539 B12R1.75 CC(C)CC1COCCN1CF 34a_100000755734_100015361967 [0,1,0,1,0,0|2,0,0]=4 1540 B12R1.75 CCN1CCOCC1CC(C)C 2230a_100000755734_100000210202 [0,1,0,1,0,0|1,0,0]=3 1541 B12R1.75 CCN1CCOCC1CC(C)C 269982a_100000755734_100000204670 [0,1,0,1,0,0|1,0,0]=3 1542 B12R1.75 CCN1CCOCC1CC(C)C 34a_100000755734_100000210202 [0,1,0,1,0,0|1,0,0]=3 1543 B12R1.210 CC(C)CC1CCCCCN1C 2230a_100000759364_200000210301 [0,1,0,1,0,0|2,0,0]=4 1544 B12R1.210 CC(C)CC1CCCCCN1C 269982a_100000759364_200000210301 [0,1,0,1,0,0|2,0,0]=4 1545 B12R1.210 CC(C)CC1CCCCCN1C 34a_100000759364_200000210301 [0,1,0,1,0,0|2,0,0]=4 1546 B12R1.210 CC(C)CC1CCCCCN1[13CH3] 2230a_100000759364_200025704644 [0,1,0,1,0,0|2,0,0]=4 1547 B12R1.210 CC(C)CC1CCCCCN1[13CH3] 269982a_100000759364_200025704644 [0,1,0,1,0,0|2,0,0]=4 1548 B12R1.210 CC(C)CC1CCCCCN1[13CH3] 34a_100000759364_200025704644 [0,1,0,1,0,0|2,0,0]=4 1549 B12R1.1529 CCO[C@H](CC1CC1)C(=O)OC 34a_100015422700_100000210202 [0,1,0,1,0,0|2,0,0]=4 1550 B12R1.1529 CCO[C@H](CC1CC1)C(=O)OC 7a_100015422700_100000210202 [0,1,0,1,0,0|2,0,0]=4 1551 B12R1.100 CC1CC(CC(C1)NCCO)C 270004a_100000210304_100000753413 [0,1,0,1,0,0|2,0,0]=4 1552 B12R1.100 CC1CC(CC(O1)C)OCCF 34a_200000691454_100011217306 [0,1,0,1,0,0|2,0,0]=4 1553 B12R1.100 CC1CC(CC(O1)C)OCCF 7a_200000691454_100011217306 [0,1,0,1,0,0|2,0,0]=4 1554 B12R1.100 CC1CC(CC(O1)C)OCCO 34a_200000691454_100000211926 [0,1,0,1,0,0|2,0,0]=4 1555 B12R1.100 CC1CC(CC(O1)C)OCCO 7a_200000691454_100000211926 [0,1,0,1,0,0|2,0,0]=4 1556 B12R1.100 CCCNC1CC(CC(C1)C)C 270004a_100020643023_100000753413 [0,1,0,1,0,0|2,0,0]=4 1557 B12R1.100 CCCOC1CC(OC(C1)C)C 34a_200000691454_100000210303 [0,1,0,1,0,0|2,0,0]=4 1558 B12R1.100 CCCOC1CC(OC(C1)C)C 7a_200000691454_100000210303 [0,1,0,1,0,0|2,0,0]=4 1559 B12R1.100 CCOCN1CC(CC(C1)C)C 269982a_100000210448_100000739092 [0,1,0,1,0,0|2,0,0]=4 1560 B12R1.100 CSCOC1CC(OC(C1)C)C 34a_200000691454_100011218213 [0,1,0,1,0,0|2,0,0]=4 1561 B12R1.283 CC(C)C1CCCCC1OCF 34a_100011709184_100015361967 [0,1,0,1,0,0|2,0,0]=4 1562 B12R1.283 CC(C)C1CCCCC1OCF 7a_100011709184_100015361967 [0,1,0,1,0,0|2,0,0]=4 1563 B12R1.283 CCCC1COCCN1C(C)C 2230a_102495339903_100000210206 [0,1,0,1,0,0|2,0,0]=4 1564 B12R1.283 CCCC1COCCN1C(C)C 269982a_102495339903_100000210206 [0,1,0,1,0,0|2,0,0]=4 1565 B12R1.283 CCCC1COCCN1C(C)C 34a_102495339903_100000210206 [0,1,0,1,0,0|2,0,0]=4 1566 B12R1.283 CCOC1CCCCC1C(C)C 34a_100011709184_100000210202 [0,1,0,1,0,0|1,0,0]=3 1567 B12R1.283 CCOC1CCCCC1C(C)C 7a_100011709184_100000210202 [0,1,0,1,0,0|1,0,0]=3 1568 B12R1.283 CCOC1CCCCC1N(C)C 270004a_100102631434_200000031474 [0,1,0,1,0,0|2,0,0]=4 1569 B12R1.386 CCOCN1CCCC1C(C)C 269982a_100000762757_100000739092 [0,1,0,1,0,0|2,0,0]=4 1570 B12R1.438 CCN1CCOC(C1)CN(C)C 2230a_100000752868_100000210202 [0,1,0,1,0,0|2,0,0]=4 1571 B12R1.438 CCN1CCOC(C1)CN(C)C 269982a_100000752868_100000204670 [0,1,0,1,0,0|2,0,0]=4 1572 B12R1.545 CCN[C@H]1CC[C@@H](C(C1)(C)C)O 2230a_206256553148_100000210202 [0,1,0,1,0,0|2,0,0]=4 1573 B12R1.887 C#CCOC1CCCC(C1)(C)C 7a_100011995757_100000038162 [0,1,0,1,0,0|1,0,1]=4 1574 B12R1.887 C=CCOC1CCCC(C1)(C)C 7a_100011995757_100015514636 [0,1,0,1,0,0|1,0,1]=4 1575 B12R1.887 CC1(CC(CCO1)OCCBr)C 34a_100000211926_100010191092 [0,1,0,1,0,0|2,0,0]=4 1576 B12R1.887 CC1(CC(CCO1)OCCF)C 34a_100000693217_100011217306 [0,1,0,1,0,0|2,0,0]=4 1577 B12R1.887 CC1(CC(CCO1)OCCF)C 7a_100000693217_100011217306 [0,1,0,1,0,0|2,0,0]=4 1578 B12R1.887 CC1(CC(CCO1)OCCN)C 34a_100000210304_100010191092 [0,1,0,1,0,0|2,0,0]=4 1579 B12R1.887 CC1(CC(CCO1)OCCO)C 34a_100000693217_100000211926 [0,1,0,1,0,0|2,0,0]=4 1580 B12R1.887 CC1(CC(CCO1)OCCO)C 7a_100000693217_100000211926 [0,1,0,1,0,0|2,0,0]=4 1581 B12R1.887 CC1(CCCC(C1)NCCO)C 270004a_100000210304_100000031663 [0,1,0,1,0,0|2,0,0]=4 1582 B12R1.887 CC1(CCCC(C1)OCC#N)C 7a_100011995757_100011215382 [0,1,0,1,0,0|1,0,1]=4 1583 B12R1.887 CC1(CCCC(C1)OCC=O)C 7a_100011995757_200015260668 [0,1,0,1,0,0|1,0,1]=4 1584 B12R1.887 CC1(CCCC(C1)OCCF)C 7a_100011995757_100011217306 [0,1,0,1,0,0|1,0,0]=3 1585 B12R1.887 CC1(CCCC(C1)OCCO)C 7a_100011995757_100000211926 [0,1,0,1,0,0|1,0,0]=3 1586 B12R1.887 CCCNC1CCCC(C1)(C)C 270004a_100020643023_100000031663 [0,1,0,1,0,0|2,0,0]=4 1587 B12R1.887 CCCOC1CCCC(C1)(C)C 7a_100011995757_100000210303 [0,1,0,1,0,0|1,0,0]=3 1588 B12R1.887 CCCOC1CCOC(C1)(C)C 34a_100000210258_100010191092 [0,1,0,1,0,0|2,0,0]=4 1589 B12R1.887 CCCOC1CCOC(C1)(C)C 34a_100000693217_100000210303 [0,1,0,1,0,0|2,0,0]=4 1590 B12R1.887 CCCOC1CCOC(C1)(C)C 7a_100000693217_100000210303 [0,1,0,1,0,0|2,0,0]=4 1591 B12R1.887 CCOCN1CCCC(C1)(C)C 269982a_100000716857_100000739092 [0,1,0,1,0,0|2,0,0]=4 1592 B12R1.887 CSCOC1CCOC(C1)(C)C 34a_100000693217_100011218213 [0,1,0,1,0,0|2,0,0]=4 1593 B12R1.928 CCCN(COCC)CC1CC1 269982a_100000210729_100000739092 [0,1,0,1,0,0|2,0,0]=4 1594 B12R1.933 CCOCN(CC(C)C)C1CC1 269982a_100000737031_100000739092 [0,1,0,1,0,0|2,0,0]=4 1595 B12R1.1774 CCNCC1(CCC1)CC(C)C 2230a_100000687023_100000210202 [0,1,0,1,0,0|2,0,0]=4 1596 B12R1.1510 CCOC(CN1CCC1)OCC 269982a_100000754969_100000733474 [0,1,0,1,0,0|1,0,0]=3 1597 B8R0.15 C#CC(OCC)C(C)C 34a_100011217124_100000210202 [1,0,0,0,1,0|0,0,2]=4 1598 B8R0.15 C#CC(OCC)C(C)C 7a_100011217124_100000210202 [1,0,0,0,1,0|0,0,2]=4 1599 B8R0.15 C=CC(OCC)C(C)C 34a_100000732651_100000210202 [1,0,0,0,1,0|0,0,2]=4 1600 B8R0.15 C=CC(OCC)C(C)C 7a_100000732651_100000210202 [1,0,0,0,1,0|0,0,2]=4 1601 B8R0.15 CC(C)C(CN)OCF 34a_100000759067_100015361967 [1,0,0,0,1,0|2,0,0]=4 1602 B8R0.15 CCC(CNC)C(C)C 269862a_106832991636_100011214906 [1,0,0,0,1,0|2,0,0]=4 1603 B8R0.15 CCC(COC)C(C)C 34a_100011995916_200000210301 [1,0,0,0,1,0|2,0,0]=4 1604 B8R0.15 CCC(COC)C(C)C 7a_100011995916_200000210301 [1,0,0,0,1,0|2,0,0]=4 1605 B8R0.15 CCC(CO[13CH3])C(C)C 34a_100011995916_200025704644 [1,0,0,0,1,0|2,0,0]=4 1606 B8R0.15 CCC(CO[13CH3])C(C)C 7a_100011995916_200025704644 [1,0,0,0,1,0|2,0,0]=4 1607 B8R0.15 CCC(OCF)C(C)C 34a_100011218073_100015361967 [1,0,0,0,1,0|1,0,0]=3 1608 B8R0.15 CCC(OCF)C(C)C 7a_100011218073_100015361967 [1,0,0,0,1,0|1,0,0]=3 1609 B8R0.15 CCCC(CC)N(C)C 269982a_100102631434_100011219200 [1,0,0,0,1,0|2,0,0]=4 1610 B8R0.15 CCCC(CC)N(C)C 270004a_100102631434_100000687865 [1,0,0,0,1,0|2,0,0]=4 1611 B8R0.15 CCCC(OC)C(C)C 34a_200011215069_200000210301 [1,0,0,0,1,0|1,0,0]=3 1612 B8R0.15 CCCC(OC)C(C)C 7a_200011215069_200000210301 [1,0,0,0,1,0|1,0,0]=3 1613 B8R0.15 CCCC(O[13CH3])C(C)C 34a_200011215069_200025704644 [1,0,0,0,1,0|1,0,0]=3 1614 B8R0.15 CCCC(O[13CH3])C(C)C 7a_200011215069_200025704644 [1,0,0,0,1,0|1,0,0]=3 1615 B8R0.15 CCCN(CC)C(C)C 2230a_100000223864_100000210303 [1,0,0,0,1,0|2,0,0]=4 1616 B8R0.15 CCCN(CC)C(C)C 2230a_100000226822_100000210206 [1,0,0,0,1,0|2,0,0]=4 1617 B8R0.15 CCCN(CC)C(C)C 2230a_106256033942_100000210202 [1,0,0,0,1,0|2,0,0]=4 1618 B8R0.15 CCCN(CC)C(C)C 269982a_100000223864_100000210303 [1,0,0,0,1,0|2,0,0]=4 1619 B8R0.15 CCCN(CC)C(C)C 269982a_100000226822_100000210206 [1,0,0,0,1,0|2,0,0]=4 1620 B8R0.15 CCCN(CC)C(C)C 269982a_106256033942_100000204670 [1,0,0,0,1,0|2,0,0]=4 1621 B8R0.15 CCNC(CC)C(C)C 270004a_100015525214_100000210600 [1,0,0,0,1,0|1,0,0]=3 1622 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210202 [1,0,0,0,1,0|2,0,0]=4 1623 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210202 [1,0,0,0,1,0|2,0,0]=4 1624 B8R0.15 CCN[C@@H](CO)C(C)C 2230a_100011830312_100000210202 [1,0,0,0,1,0|2,0,0]=4 1625 B8R0.15 CCN[C@@H](CO)C(C)C 34a_100011830312_100000210202 [1,0,0,0,1,0|2,0,0]=4 1626 B8R0.15 CCOC(C#N)C(C)C 34a_100000748901_100000210202 [1,0,0,0,1,0|1,0,1]=4 1627 B8R0.15 CCOC(C#N)C(C)C 7a_100000748901_100000210202 [1,0,0,0,1,0|1,0,1]=4 1628 B8R0.15 CCOC(CC)C(C)C 34a_100011218073_100000210202 [1,0,0,0,1,0|0,0,0]=2 1629 B8R0.15 CCOC(CC)C(C)C 7a_100011218073_100000210202 [1,0,0,0,1,0|0,0,0]=2 1630 B8R0.15 CCOC(CN)C(C)C 34a_100000759067_100000210202 [1,0,0,0,1,0|1,0,0]=3 1631 B8R0.15 CCOC(OC)C(F)F 34a_100000038436_200000210301 [1,0,0,0,1,0|2,0,0]=4 1632 B8R0.15 CCOC(OC)C(F)F 7a_100000038436_200000210301 [1,0,0,0,1,0|2,0,0]=4 1633 B8R0.15 CCOC(O[13CH3])C(F)F 34a_100000038436_200025704644 [1,0,0,0,1,0|2,0,0]=4 1634 B8R0.15 CCOC(O[13CH3])C(F)F 7a_100000038436_200025704644 [1,0,0,0,1,0|2,0,0]=4 1635 B10R0.27 CC#CC(CC)OCC(C)C 34a_200011219922_100000210624 [1,0,0,0,0,1|1,0,1]=4 1636 B10R0.27 CC#CC(CC)OCC(C)C 7a_200011219922_100000210760 [1,0,0,0,0,1|1,0,1]=4 1637 B10R0.27 CCC(CCC(C)C)OCF 34a_100011216567_100015361967 [1,0,0,0,0,1|1,0,0]=3 1638 B10R0.27 CCC(CCC(C)C)OCF 7a_100011216567_100015361967 [1,0,0,0,0,1|1,0,0]=3 1639 B10R0.27 CCC(COC)NCC(C)C 2230a_100000757820_100000210760 [1,0,0,0,0,1|2,0,0]=4 1640 B10R0.27 CCC(COC)NCC(C)C 270004a_100000210953_100000757811 [1,0,0,0,0,1|2,0,0]=4 1641 B10R0.27 CCC(COC)NCC(C)C 270004a_100000757820_100000210432 [1,0,0,0,0,1|2,0,0]=4 1642 B10R0.27 CCC(COC)OCC(C)C 7a_200011214946_100000210760 [1,0,0,0,0,1|2,0,0]=4 1643 B10R0.27 CCCC(CC)NCC(C)C 2230a_100000747048_100000210760 [1,0,0,0,0,1|1,0,0]=3 1644 B10R0.27 CCCC(CC)NCC(C)C 270004a_100000210953_100000687865 [1,0,0,0,0,1|1,0,0]=3 1645 B10R0.27 CCCC(CC)NCC(C)C 270004a_100000747048_100000210432 [1,0,0,0,0,1|1,0,0]=3 1646 B10R0.27 CCCC(CC)NCC(C)O 2230a_100000747048_100011218427 [1,0,0,0,0,1|2,0,0]=4 1647 B10R0.27 CCCC(CC)NCC(C)O 270004a_100000210904_100000687865 [1,0,0,0,0,1|2,0,0]=4 1648 B10R0.27 CCCC(CC)NC[C@@H](C)O 2230a_100000747048_100009817552 [1,0,0,0,0,1|2,0,0]=4 1649 B10R0.27 CCCC(CC)OCC(C)C 34a_100000687864_100000210624 [1,0,0,0,0,1|1,0,0]=3 1650 B10R0.27 CCCC(CC)OCC(C)C 7a_100000687864_100000210760 [1,0,0,0,0,1|1,0,0]=3 1651 B10R0.27 CCCC(CC)OCC(C)O 34a_100000687864_100011218427 [1,0,0,0,0,1|2,0,0]=4 1652 B10R0.27 CCCC(CC)OCC(C)O 7a_100000687864_100011218427 [1,0,0,0,0,1|2,0,0]=4 1653 B10R0.27 CCCC(CC)OC[C@@H](C)O 34a_100000687864_100009817552 [1,0,0,0,0,1|2,0,0]=4 1654 B10R0.27 CCCC(CC)OC[C@@H](C)O 7a_100000687864_100009817552 [1,0,0,0,0,1|2,0,0]=4 1655 B10R0.27 CCCC(CC)SCC(C)C 62a_100000210624_100011219200 [1,0,0,0,0,1|1,0,0]=3 1656 B10R0.27 CCCC(CC)SCC(C)C 62a_100011219200_100000210760 [1,0,0,0,0,1|1,0,0]=3 1657 B10R0.27 CCCC(CC)SCC(C)O 62a_100011218427_100011219200 [1,0,0,0,0,1|2,0,0]=4 1658 B10R0.27 CCCC(CC)SCC(C)O 62a_100011219200_100011218427 [1,0,0,0,0,1|2,0,0]=4 1659 B10R0.27 CCCC(CC)SC[C@@H](C)O 62a_100009817552_100011219200 [1,0,0,0,0,1|2,0,0]=4 1660 B10R0.27 CCCC(CC)SC[C@@H](C)O 62a_100011219200_100009817552 [1,0,0,0,0,1|2,0,0]=4 1661 B10R0.27 CCCN(CC)CCC(C)C 2230a_100000207693_100000210303 [1,0,0,0,0,1|2,0,0]=4 1662 B10R0.27 CCCN(CC)CCC(C)C 2230a_100000226822_100000210312 [1,0,0,0,0,1|2,0,0]=4 1663 B10R0.27 CCCN(CC)CCC(C)C 269982a_100000207693_100000210303 [1,0,0,0,0,1|2,0,0]=4 1664 B10R0.27 CCCN(CC)CCC(C)C 269982a_100000226822_100000210312 [1,0,0,0,0,1|2,0,0]=4 1665 B10R0.27 CCCN(CC)COC(C)C 2230a_100000226822_100000709892 [1,0,0,0,0,1|2,0,0]=4 1666 B10R0.27 CCCN(CC)COC(C)C 269982a_100000226822_100000709892 [1,0,0,0,0,1|2,0,0]=4 1667 B10R0.27 CCC[C@@H](CO)NCC(C)C 2230a_100000732646_100000210760 [1,0,0,0,0,1|2,0,0]=4 1668 B10R0.27 CCC[C@@H](CO)NCC(C)C 34a_100000732646_100000210624 [1,0,0,0,0,1|2,0,0]=4 1669 B10R0.27 CCOC(CC)CCC(C)C 34a_100011216567_100000210202 [1,0,0,0,0,1|0,0,0]=2 1670 B10R0.27 CCOC(CC)CCC(C)C 7a_100011216567_100000210202 [1,0,0,0,0,1|0,0,0]=2 1671 B10R0.27 CCOC(CC)CNC(=O)C 11a_100015183923_100015343762 [1,0,0,0,0,1|1,0,1]=4 1672 B10R0.27 CCOC(CC)CNC(=O)C 1626a_100015183923_100015343762 [1,0,0,0,0,1|1,0,1]=4 1673 B10R0.27 CCOC(CC)CNC(=O)C 240690a_100015183923_100015343762 [1,0,0,0,0,1|1,0,1]=4 1674 B10R0.27 CCOC(CC)CNC(=O)C 527a_100015183923_100103153847 [1,0,0,0,0,1|1,0,1]=4 1675 B10R0.27 CCOC(CC)CNC(C)C 2230a_100015183923_100000210206 [1,0,0,0,0,1|0,0,0]=2 1676 B10R0.27 CCOC(CC)CNC(C)C 34a_100015183923_100000210206 [1,0,0,0,0,1|0,0,0]=2 1677 B12R0.164 C=C(C)CNCC(OCC)OCC 34a_100000211098_100000748629 [0,0,0,0,0,2|0,0,2]=4 1678 B12R0.164 C=C(C)COCC(OCC)OCC 34a_100000210245_100000210512 [0,0,0,0,0,2|0,0,2]=4 1679 B12R0.164 C=C(C)COCC(OCC)OCC 34a_100011216334_100000748629 [0,0,0,0,0,2|0,0,2]=4 1680 B12R0.164 C=C(C)COCC(OCC)OCC 7a_100011216334_100000748629 [0,0,0,0,0,2|0,0,2]=4 1681 B12R0.164 C=C(C)CSCC(OCC)OCC 62a_100000210512_100000211660 [0,0,0,0,0,2|0,0,2]=4 1682 B12R0.164 C=C(C)CSCC(OCC)OCC 62a_100000748629_100000210512 [0,0,0,0,0,2|0,0,2]=4 1683 B12R0.164 CCCC(CCC)COCC(C)C 34a_200011215456_100000210624 [0,0,0,0,0,2|2,0,0]=4 1684 B12R0.164 CCCC(CCC)COCC(C)C 7a_200011215456_100000210760 [0,0,0,0,0,2|2,0,0]=4 1685 B12R0.164 CCCC(CCC)NCCC(C)C 2230a_100011207992_100000210312 [0,0,0,0,0,2|2,0,0]=4 1686 B12R0.164 CCCC(CCC)NCCC(C)C 269862a_100011207992_100000185833 [0,0,0,0,0,2|2,0,0]=4 1687 B12R0.164 CCCC(CCC)NCCC(C)C 270004a_100000210545_100000210088 [0,0,0,0,0,2|2,0,0]=4 1688 B12R0.164 CCCC(CCC)NCCC(C)C 34a_100011207992_100000210312 [0,0,0,0,0,2|2,0,0]=4 1689 B12R0.164 CCCC(CCC)NCOC(C)C 2230a_100011207992_100000709892 [0,0,0,0,0,2|2,0,0]=4 1690 B12R0.164 CCCC(CCC)NCOC(C)C 34a_100011207992_100000709892 [0,0,0,0,0,2|2,0,0]=4 1691 B12R0.164 CCCC(CCC)OCCC(C)C 34a_100000210254_200011218217 [0,0,0,0,0,2|2,0,0]=4 1692 B12R0.164 CCCC(CCC)OCCC(C)C 34a_200011218534_100000210312 [0,0,0,0,0,2|2,0,0]=4 1693 B12R0.164 CCCC(CCC)OCCC(C)C 7a_100000210254_200011218217 [0,0,0,0,0,2|2,0,0]=4 1694 B12R0.164 CCCC(CCC)OCCC(C)C 7a_200011218534_100000210626 [0,0,0,0,0,2|2,0,0]=4 1695 B12R0.164 CCCC(CCC)OCOC(C)C 34a_200011218534_100000709892 [0,0,0,0,0,2|2,0,0]=4 1696 B12R0.164 CCCC(CCC)SCCC(C)C 62a_100000210312_200011218217 [0,0,0,0,0,2|2,0,0]=4 1697 B12R0.164 CCCC(CCC)SCCC(C)C 62a_200011218217_100000210312 [0,0,0,0,0,2|2,0,0]=4 1698 B12R0.164 CCCC(CCC)SCOC(C)C 62a_100000709892_200011218217 [0,0,0,0,0,2|2,0,0]=4 1699 B12R0.164 CCCC(CCC)SCOC(C)C 62a_200011218217_100000709892 [0,0,0,0,0,2|2,0,0]=4 1700 B12R0.164 CCOC(CCCC(=O)C)OCC 1458a_100000070787_100000034166 [0,0,0,0,0,2|1,0,1]=4 1701 B12R0.164 CCOC(CCCN(C)C)OCC 2230a_100102631434_100000034166 [0,0,0,0,0,2|1,0,0]=3 1702 B12R0.164 CCOC(CCCN(C)C)OCC 269982a_100102631434_100000034166 [0,0,0,0,0,2|1,0,0]=3 1703 B12R0.164 CCOC(CCNC(=O)C)OCC 11a_100000748396_100015343762 [0,0,0,0,0,2|1,0,1]=4 1704 B12R0.164 CCOC(CCNC(=O)C)OCC 1626a_100000748396_100015343762 [0,0,0,0,0,2|1,0,1]=4 1705 B12R0.164 CCOC(CCNC(=O)C)OCC 240690a_100000748396_100015343762 [0,0,0,0,0,2|1,0,1]=4 1706 B12R0.164 CCOC(CCNC(=O)C)OCC 527a_100000748396_100103153847 [0,0,0,0,0,2|1,0,1]=4 1707 B12R0.164 CCOC(CCNC(C)C)OCC 2230a_100138425928_100000033671 [0,0,0,0,0,2|0,0,0]=2 1708 B12R0.164 CCOC(CCNC(C)C)OCC 34a_100000748396_100000210206 [0,0,0,0,0,2|0,0,0]=2 1709 B12R0.164 CCOC(CCNC(C)C)OCC 34a_100138425928_100000033671 [0,0,0,0,0,2|0,0,0]=2 1710 B12R0.164 CCOC(CCOC(C)C)OCC 34a_100000212225_100000033671 [0,0,0,0,0,2|0,0,0]=2 1711 B12R0.164 CCOC(CCOC(C)C)OCC 34a_100011218310_100000210206 [0,0,0,0,0,2|0,0,0]=2 1712 B12R0.164 CCOC(CCOC(C)C)OCC 7a_100011218310_100000210206 [0,0,0,0,0,2|0,0,0]=2 1713 B12R0.164 CCOC(CCSC(C)C)OCC 62a_100000033671_100000210206 [0,0,0,0,0,2|0,0,0]=2 1714 B12R0.164 CCOC(CCSC(C)C)OCC 62a_100000210206_100000033671 [0,0,0,0,0,2|0,0,0]=2 1715 B12R0.164 CCOC(CNCC(C)C)OCC 2230a_100000210953_100000210512 [0,0,0,0,0,2|0,0,0]=2 1716 B12R0.164 CCOC(CNCC(C)C)OCC 270004a_100000211098_100000210432 [0,0,0,0,0,2|0,0,0]=2 1717 B12R0.164 CCOC(CNCC(C)C)OCC 34a_100000210953_100000210512 [0,0,0,0,0,2|0,0,0]=2 1718 B12R0.164 CCOC(CNCC(C)C)OCC 34a_100000211098_100000210624 [0,0,0,0,0,2|0,0,0]=2 1719 B12R0.164 CCOC(CNCC(C)O)OCC 2230a_100000210904_100000210512 [0,0,0,0,0,2|1,0,0]=3 1720 B12R0.164 CCOC(CNCC(C)O)OCC 34a_100000210904_100000210512 [0,0,0,0,0,2|1,0,0]=3 1721 B12R0.164 CCOC(CNCC(C)O)OCC 34a_100000211098_100011218427 [0,0,0,0,0,2|1,0,0]=3 1722 B12R0.164 CCOC(CNCC(F)F)OCC 34a_100000211098_100011934356 [0,0,0,0,0,2|2,0,0]=4 1723 B12R0.164 CCOC(CNCC(F)F)OCC 34a_100000765723_100000210512 [0,0,0,0,0,2|2,0,0]=4 1724 B12R0.164 CCOC(CNC[C@@H](C)O)OCC 34a_100000211098_100009817552 [0,0,0,0,0,2|1,0,0]=3 1725 B12R0.164 CCOC(COCC(=O)C)OCC 34a_100000211253_100000210512 [0,0,0,0,0,2|1,0,1]=4 1726 B12R0.164 CCOC(COCC(C)Br)OCC 34a_100012180447_100000210512 [0,0,0,0,0,2|1,0,0]=3 1727 B12R0.164 CCOC(COCC(C)C)OCC 34a_100000210257_100000210512 [0,0,0,0,0,2|0,0,0]=2 1728 B12R0.164 CCOC(COCC(C)C)OCC 34a_100011216334_100000210624 [0,0,0,0,0,2|0,0,0]=2 1729 B12R0.164 CCOC(COCC(C)C)OCC 7a_100011216334_100000210760 [0,0,0,0,0,2|0,0,0]=2 1730 B12R0.164 CCOC(COCC(C)F)OCC 34a_100015925927_100000210512 [0,0,0,0,0,2|1,0,0]=3 1731 B12R0.164 CCOC(COCC(C)O)OCC 34a_100011216334_100011218427 [0,0,0,0,0,2|1,0,0]=3 1732 B12R0.164 CCOC(COCC(C)O)OCC 7a_100011216334_100011218427 [0,0,0,0,0,2|1,0,0]=3 1733 B12R0.164 CCOC(COCC(F)F)OCC 34a_100000743014_100000210512 [0,0,0,0,0,2|2,0,0]=4 1734 B12R0.164 CCOC(COCC(F)F)OCC 34a_100011216334_100011934356 [0,0,0,0,0,2|2,0,0]=4 1735 B12R0.164 CCOC(COCC(F)F)OCC 7a_100011216334_100011934356 [0,0,0,0,0,2|2,0,0]=4 1736 B12R0.164 CCOC(COC[C@@H](C)Cl)OCC 34a_100016084084_100000210512 [0,0,0,0,0,2|1,0,0]=3 1737 B12R0.164 CCOC(COC[C@@H](C)N)OCC 34a_100000737577_100000210512 [0,0,0,0,0,2|1,0,0]=3 1738 B12R0.164 CCOC(COC[C@@H](C)O)OCC 34a_100011216334_100009817552 [0,0,0,0,0,2|1,0,0]=3 1739 B12R0.164 CCOC(COC[C@@H](C)O)OCC 7a_100011216334_100009817552 [0,0,0,0,0,2|1,0,0]=3 1740 B12R0.164 CCOC(CSCC(C)C)OCC 62a_100000210512_100000210760 [0,0,0,0,0,2|0,0,0]=2 1741 B12R0.164 CCOC(CSCC(C)C)OCC 62a_100000210624_100000210512 [0,0,0,0,0,2|0,0,0]=2 1742 B12R0.164 CCOC(CSCC(C)O)OCC 62a_100000210512_100011218427 [0,0,0,0,0,2|1,0,0]=3 1743 B12R0.164 CCOC(CSCC(C)O)OCC 62a_100011218427_100000210512 [0,0,0,0,0,2|1,0,0]=3 1744 B12R0.164 CCOC(CSCC(F)F)OCC 62a_100000210512_100011934356 [0,0,0,0,0,2|2,0,0]=4 1745 B12R0.164 CCOC(CSCC(F)F)OCC 62a_100011934356_100000210512 [0,0,0,0,0,2|2,0,0]=4 1746 B12R0.164 CCOC(CSC[C@@H](C)O)OCC 62a_100000210512_100009817552 [0,0,0,0,0,2|1,0,0]=3 1747 B12R0.164 CCOC(CSC[C@@H](C)O)OCC 62a_100009817552_100000210512 [0,0,0,0,0,2|1,0,0]=3