0 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.7 C#CCC(C)OCF 34a_100000685586_100015361967 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.7 C#CCC(C)OCF 7a_100000685586_100015361967 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.7 C/C=C/C(C)OCF 34a_200102604097_100015361967 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.7 C=CC[C@@H](C)OCF 34a_100000731007_100015361967 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.7 C=CC[C@@H](C)OCF 7a_100000731007_100015361967 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.7 CC#CC(C)OCC 34a_100011216543_100000210202 [0,0,0,0,0,0|1,0,1]=2 11 B7R0.7 CC#CC(C)OCF 34a_100011216543_100015361967 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.7 CC(CCBr)OCF 34a_100012276601_100015361967 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [0,0,0,0,0,0|3,1,0]=4 15 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [0,0,0,0,0,0|3,1,0]=4 16 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,0,0,0,0,0|3,0,0]=3 22 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,0,0,0,0,0|3,0,0]=3 24 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,0,0,0,0,0|3,0,0]=3 29 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,0,0,0,0,0|3,0,0]=3 30 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,0,0,0,0,0|3,0,0]=3 32 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,0,0,0,0,0|3,0,0]=3 33 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,0,0,0,0,0|2,0,0]=2 35 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,0,0,0,0,0|2,0,0]=2 36 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,0,0,0,0,0|1,0,0]=1 37 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,0,0,0,0,0|1,0,0]=1 38 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,0,0,0,0,0|1,0,0]=1 39 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,0,0,0,0,0|2,0,0]=2 40 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,0,0,0,0,0|2,0,0]=2 41 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,0,0,0,0,0|1,1,0]=2 42 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,0,0,0,0,0|1,1,0]=2 43 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [0,0,0,0,0,0|2,1,0]=3 44 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [0,0,0,0,0,0|2,1,0]=3 45 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [0,0,0,0,0,0|3,0,0]=3 46 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [0,0,0,0,0,0|3,0,0]=3 47 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [0,0,0,0,0,0|3,0,0]=3 48 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [0,0,0,0,0,0|3,0,0]=3 49 B7R0.7 CCCN(C)CCF 2230a_100000747261_100011217306 [0,0,0,0,0,0|4,0,0]=4 50 B7R0.7 CCCN(C)CCF 269982a_100000747261_100011217306 [0,0,0,0,0,0|4,0,0]=4 51 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [0,0,0,0,0,0|4,0,0]=4 52 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [0,0,0,0,0,0|4,0,0]=4 53 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [0,0,0,0,0,0|4,0,0]=4 54 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [0,0,0,0,0,0|4,0,0]=4 55 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [0,0,0,0,0,0|4,0,0]=4 56 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [0,0,0,0,0,0|4,0,0]=4 57 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [0,0,0,0,0,0|4,0,0]=4 58 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [0,0,0,0,0,0|4,0,0]=4 59 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [0,0,0,0,0,0|4,0,0]=4 60 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [0,0,0,0,0,0|4,0,0]=4 61 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [0,0,0,0,0,0|3,0,0]=3 62 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [0,0,0,0,0,0|3,0,0]=3 63 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [0,0,0,0,0,0|4,0,0]=4 64 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [0,0,0,0,0,0|4,0,0]=4 65 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,0,0,0,0,0|4,0,0]=4 66 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,0,0,0,0,0|4,0,0]=4 67 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,0,0,0,0,0|3,0,1]=4 68 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,0,0,0,0,0|3,0,1]=4 69 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,0,0,0,0,0|3,0,1]=4 70 B7R0.7 CCNC(C)CC#N 2230a_100015525214_100009813641 [0,0,0,0,0,0|3,0,1]=4 71 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,0,0,0,0,0|3,0,0]=3 72 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,0,0,0,0,0|3,0,0]=3 73 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,0,0,0,0,0|3,0,0]=3 74 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,0,0,0,0,0|3,0,0]=3 75 B7R0.7 CCN[C@@H](C)CC#N 2230a_100016994482_100000210202 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,0,0,0,0,0|3,0,0]=3 77 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,0,0,0,0,0|3,0,0]=3 78 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,0,0,0,0,0|3,0,0]=3 79 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,0,0,0,0,0|3,0,1]=4 82 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,0,0,0,0,0|3,0,1]=4 83 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,0,0,0,0,0|3,0,1]=4 84 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,0,0,0,0,0|3,0,1]=4 85 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,0,0,0,0,0|3,0,1]=4 86 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,0,0,0,0,0|3,0,1]=4 87 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,0,0,0,0,0|2,0,0]=2 88 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,0,0,0,0,0|2,0,0]=2 89 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,0,0,0,0,0|2,0,0]=2 90 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,0,0,0,0,0|2,0,0]=2 91 B7R0.7 CCSC(C)CC#N 62a_100000210202_100009813641 [0,0,0,0,0,0|2,1,1]=4 92 B7R0.7 CCSC(C)CC#N 62a_100009813641_100000210202 [0,0,0,0,0,0|2,1,1]=4 93 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,0,0,0,0,0|2,1,0]=3 94 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,0,0,0,0,0|2,1,0]=3 95 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,0,0,0,0,0|2,1,0]=3 96 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,0,0,0,0,0|2,1,0]=3 97 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [0,0,0,0,0,0|4,0,0]=4 98 B7R0.7 COCC(C)SCF 62a_100000765312_100015361967 [0,0,0,0,0,0|3,1,0]=4 99 B7R0.7 COCC(C)SCF 62a_100015361967_100000765312 [0,0,0,0,0,0|3,1,0]=4 100 B7R0.7 COC[C@@H](C)OCF 34a_100011934205_100015361967 [0,0,0,0,0,0|3,0,0]=3 101 B7R0.7 C[C@H](CCO)NCF 34a_100000706166_100015361967 [0,0,0,0,0,0|4,0,0]=4 102 B6R0.1 C#CC(C)NCC 2230a_100000707721_100000210202 [1,0,0,0,0,0|1,0,2]=4 103 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [1,0,0,0,0,0|1,0,2]=4 104 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [1,0,0,0,0,0|0,0,2]=3 105 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [1,0,0,0,0,0|0,1,2]=4 106 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [1,0,0,0,0,0|1,0,2]=4 107 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [1,0,0,0,0,0|1,0,2]=4 108 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [1,0,0,0,0,0|1,0,2]=4 109 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [1,0,0,0,0,0|1,0,2]=4 110 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [1,0,0,0,0,0|0,0,2]=3 111 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [1,0,0,0,0,0|0,0,2]=3 112 B6R0.1 C#C[C@@H](C)OCF 34a_100009815206_100015361967 [1,0,0,0,0,0|1,0,2]=4 113 B6R0.1 C#C[C@@H](C)OCF 7a_100009815206_100015361967 [1,0,0,0,0,0|1,0,2]=4 114 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [1,0,0,0,0,0|1,0,1]=3 115 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [1,0,0,0,0,0|1,0,1]=3 116 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [1,0,0,0,0,0|0,0,2]=3 117 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [1,0,0,0,0,0|1,0,2]=4 118 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [1,0,0,0,0,0|0,1,2]=4 119 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [1,0,0,0,0,0|1,0,2]=4 120 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [1,0,0,0,0,0|1,0,2]=4 121 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [1,0,0,0,0,0|1,0,2]=4 122 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [1,0,0,0,0,0|1,0,2]=4 123 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [1,0,0,0,0,0|1,0,1]=3 124 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [1,0,0,0,0,0|1,0,1]=3 125 B6R0.1 CC(C#N)OCF 34a_100011218135_100015361967 [1,0,0,0,0,0|2,0,1]=4 126 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [1,0,0,0,0,0|2,0,0]=3 127 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [1,0,0,0,0,0|2,1,0]=4 128 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [1,0,0,0,0,0|2,1,0]=4 129 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [1,0,0,0,0,0|2,0,0]=3 130 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [1,0,0,0,0,0|2,0,0]=3 131 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [1,0,0,0,0,0|3,0,0]=4 132 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [1,0,0,0,0,0|2,0,0]=3 133 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [1,0,0,0,0,0|3,0,0]=4 134 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [1,0,0,0,0,0|2,1,0]=4 135 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,0,0,0,0,0|2,0,0]=3 136 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,0,0,0,0,0|2,0,0]=3 137 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,0,0,0,0,0|2,0,0]=3 138 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,0,0,0,0,0|2,0,0]=3 139 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,0,0,0,0,0|2,0,0]=3 140 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,0,0,0,0,0|2,0,0]=3 141 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,0,0,0,0,0|2,0,0]=3 142 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,0,0,0,0,0|2,0,0]=3 143 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,0,0,0,0,0|2,0,0]=3 144 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,0,0,0,0,0|2,0,0]=3 145 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,0,0,0,0,0|2,0,0]=3 146 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [1,0,0,0,0,0|1,0,0]=2 147 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [1,0,0,0,0,0|1,1,0]=3 148 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [1,0,0,0,0,0|1,1,0]=3 149 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [1,0,0,0,0,0|3,0,0]=4 150 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [1,0,0,0,0,0|3,0,0]=4 151 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [1,0,0,0,0,0|3,0,0]=4 152 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [1,0,0,0,0,0|3,0,0]=4 153 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [1,0,0,0,0,0|3,0,0]=4 154 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [1,0,0,0,0,0|3,0,0]=4 155 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [1,0,0,0,0,0|3,0,0]=4 156 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [1,0,0,0,0,0|3,0,0]=4 157 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [1,0,0,0,0,0|3,0,0]=4 158 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [1,0,0,0,0,0|3,0,0]=4 159 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,0,0,0,0|2,0,1]=4 160 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,0,0,0,0,0|2,0,0]=3 162 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,0,0,0,0,0|2,0,0]=3 163 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,0,0,0,0,0|2,0,0]=3 164 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,0,0,0,0,0|2,0,0]=3 165 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,0,0,0,0,0|2,0,0]=3 166 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,0,0,0,0,0|2,0,0]=3 167 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,0,0,0,0,0|1,0,0]=2 168 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,0,0,0,0,0|1,0,0]=2 169 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,0,0,0,0,0|1,0,0]=2 170 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,0,0,0,0,0|1,0,0]=2 171 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,0,0,0,0,0|1,0,0]=2 172 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,0,0,0,0,0|1,1,0]=3 173 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,0,0,0,0,0|1,1,0]=3 174 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,0,0,0,0,0|1,1,0]=3 175 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,0,0,0,0,0|1,1,0]=3 176 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,0,0,0,0,0|2,0,0]=3 177 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,0,0,0,0,0|2,0,0]=3 178 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,0,0,0,0,0|2,0,0]=3 179 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,0,0,0,0,0|2,0,0]=3 180 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,0,0,0,0,0|2,0,0]=3 181 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,0,0,0,0,0|2,0,0]=3 182 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [1,0,0,0,0,0|3,0,0]=4 183 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,0,0,0,0,0|2,0,0]=3 184 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,0,0,0,0,0|2,0,0]=3 185 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [1,0,0,0,0,0|3,0,0]=4 186 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [1,0,0,0,0,0|3,0,0]=4 187 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [1,0,0,0,0,0|3,0,0]=4 188 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [1,0,0,0,0,0|3,0,0]=4 189 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [1,0,0,0,0,0|3,0,0]=4 190 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [1,0,0,0,0,0|3,0,0]=4 191 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [1,0,0,0,0,0|3,0,0]=4 192 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [1,0,0,0,0,0|3,0,0]=4 193 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [1,0,0,0,0,0|3,0,0]=4 194 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [1,0,0,0,0,0|3,0,0]=4 195 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [1,0,0,0,0,0|3,0,0]=4 196 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [1,0,0,0,0,0|3,0,0]=4 197 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [1,0,0,0,0,0|3,0,0]=4 198 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [1,0,0,0,0,0|3,0,0]=4 199 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,0,0,0,0|2,0,1]=4 200 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,0,0,0,0|2,0,1]=4 201 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,0,0,0,0|2,0,1]=4 202 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [1,0,0,0,0,0|2,0,1]=4 203 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [1,0,0,0,0,0|2,0,1]=4 204 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,0,0,0,0,0|1,0,0]=2 205 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,0,0,0,0,0|1,0,0]=2 206 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [1,0,0,0,0,0|2,0,0]=3 207 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [1,0,0,0,0,0|2,0,0]=3 208 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [1,0,0,0,0,0|1,0,1]=3 209 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,0,0,0,0,0|0,0,0]=1 210 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,0,0,0,0,0|0,0,0]=1 211 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,0,0,0,0,0|1,0,0]=2 212 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,0,0,0,0,0|1,0,0]=2 213 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,0,0,0,0,0|1,0,0]=2 214 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,0,0,0,0,0|1,0,0]=2 215 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [1,0,0,0,0,0|1,1,1]=4 216 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [1,0,0,0,0,0|1,1,1]=4 217 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,0,0,0,0,0|0,1,0]=2 218 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,0,0,0,0,0|0,1,0]=2 219 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,0,0,0,0,0|1,1,0]=3 220 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [1,0,0,0,0,0|0,1,0]=2 221 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [1,0,0,0,0,0|0,1,0]=2 222 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,0,0,0,0,0|1,1,0]=3 223 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,0,0,0,0,0|1,1,0]=3 224 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,0,0,0,0,0|2,0,0]=3 225 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,0,0,0,0,0|2,0,0]=3 226 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,0,0,0,0,0|2,0,0]=3 227 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,0,0,0,0,0|2,0,0]=3 228 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,0,0,0,0,0|2,0,0]=3 229 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,0,0,0,0,0|2,0,0]=3 230 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,0,0,0,0,0|2,0,0]=3 231 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,0,0,0,0,0|2,0,0]=3 232 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,0,0,0,0,0|2,0,0]=3 233 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,0,0,0,0,0|2,0,0]=3 234 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [1,0,0,0,0,0|3,0,0]=4 235 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [1,0,0,0,0,0|3,0,0]=4 236 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [1,0,0,0,0,0|3,0,0]=4 237 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [1,0,0,0,0,0|3,0,0]=4 238 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [1,0,0,0,0,0|3,0,0]=4 239 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [1,0,0,0,0,0|3,0,0]=4 240 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [1,0,0,0,0,0|3,0,0]=4 241 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [1,0,0,0,0,0|3,0,0]=4 242 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [1,0,0,0,0,0|3,0,0]=4 243 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [1,0,0,0,0,0|3,0,0]=4 244 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [1,0,0,0,0,0|3,0,0]=4 245 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [1,0,0,0,0,0|3,0,0]=4 246 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [1,0,0,0,0,0|2,0,0]=3 247 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [1,0,0,0,0,0|3,0,0]=4 248 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [1,0,0,0,0,0|3,0,0]=4 249 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [1,0,0,0,0,0|3,0,0]=4 250 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [1,0,0,0,0,0|2,0,0]=3 251 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [1,0,0,0,0,0|2,0,0]=3 252 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [1,0,0,0,0,0|2,0,0]=3 253 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [1,0,0,0,0,0|1,1,0]=3 254 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [1,0,0,0,0,0|1,1,0]=3 255 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [1,0,0,0,0,0|3,0,0]=4 256 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [1,0,0,0,0,0|2,0,0]=3 257 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [1,0,0,0,0,0|2,0,0]=3 258 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [1,0,0,0,0,0|2,1,0]=4 259 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [1,0,0,0,0,0|2,1,0]=4 260 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [1,0,0,0,0,0|2,1,0]=4 261 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [1,0,0,0,0,0|2,1,0]=4 262 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [1,0,0,0,0,0|3,0,0]=4 263 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [1,0,0,0,0,0|3,0,0]=4 264 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [1,0,0,0,0,0|2,0,0]=3 265 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [1,0,0,0,0,0|2,0,0]=3 266 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [1,0,0,0,0,0|2,0,0]=3 267 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [1,0,0,0,0,0|2,1,0]=4 268 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [1,0,0,0,0,0|2,1,0]=4 269 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,0,0,0,0,0|3,0,0]=4 270 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,0,0,0,0,0|3,0,0]=4 271 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,0,0,0,0,0|3,0,0]=4 272 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,0,0,0,0,0|3,0,0]=4 273 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [1,0,0,0,0,0|3,0,0]=4 274 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [1,0,0,0,0,0|3,0,0]=4 275 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [1,0,0,0,0,0|2,1,0]=4 276 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [1,0,0,0,0,0|2,1,0]=4 277 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [1,0,0,0,0,0|1,0,2]=4 278 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [1,0,0,0,0,0|1,0,2]=4 279 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,0,0,0,0,0|1,0,1]=3 280 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,0,0,0,0,0|1,0,1]=3 281 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [1,0,0,0,0,0|2,0,1]=4 282 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,0,0,0,0,0|1,1,1]=4 283 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,0,0,0,0,0|1,1,1]=4 284 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,0,0,0,0|1,0,2]=4 285 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,0,0,0,0|1,0,2]=4 286 B6R0.6 CC#CCNCC 2230a_100000685387_100000210202 [1,0,0,0,0,0|2,0,1]=4 287 B6R0.6 CC#CCNCC 2230a_100015525214_100000748600 [1,0,0,0,0,0|2,0,1]=4 288 B6R0.6 CC#CCNCC 34a_100000685387_100000210202 [1,0,0,0,0,0|2,0,1]=4 289 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [1,0,0,0,0,0|1,0,1]=3 290 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [1,0,0,0,0,0|1,0,1]=3 291 B6R0.6 CC#CCOCF 34a_100000761923_100015361967 [1,0,0,0,0,0|2,0,1]=4 292 B6R0.6 CC#CCSCC 62a_100000210202_100000748600 [1,0,0,0,0,0|1,1,1]=4 293 B6R0.6 CC#CCSCC 62a_100000748600_100000210202 [1,0,0,0,0,0|1,1,1]=4 294 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,0,0,0,0,0|2,0,1]=4 295 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,0,0,0,0,0|1,0,1]=3 296 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,0,0,0,0,0|1,1,1]=4 297 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,0,0,0,0,0|1,1,1]=4 298 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [1,0,0,0,0,0|3,0,0]=4 299 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,0,0,0,0,0|3,0,0]=4 300 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,0,0,0,0,0|3,0,0]=4 301 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,0,0,0,0,0|3,0,0]=4 302 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,0,0,0,0,0|3,0,0]=4 303 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,0,0,0,0,0|3,0,0]=4 304 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,0,0,0,0,0|3,0,0]=4 305 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,0,0,0,0,0|3,0,0]=4 306 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,0,0,0,0,0|3,0,0]=4 307 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,0,0,0,0,0|3,0,0]=4 308 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,0,0,0,0,0|3,0,0]=4 309 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,0,0,0,0|3,0,0]=4 310 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,0,0,0,0|3,0,0]=4 311 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,0,0,0,0|3,0,0]=4 312 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,0,0,0,0|3,0,0]=4 313 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,0,0,0,0|2,0,0]=3 314 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,0,0,0,0|2,0,0]=3 315 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,0,0,0,0|2,0,0]=3 316 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [1,0,0,0,0,0|3,0,0]=4 317 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,0,0,0,0|1,0,0]=2 318 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,0,0,0,0|1,0,0]=2 319 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,0,0,0,0|1,0,0]=2 320 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,0,0,0,0,0|2,0,0]=3 321 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,0,0,0,0,0|2,0,0]=3 322 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,0,0,0,0|1,1,0]=3 323 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,0,0,0,0|1,1,0]=3 324 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [1,0,0,0,0,0|2,1,0]=4 325 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [1,0,0,0,0,0|2,1,0]=4 326 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,0,0,0,0,0|3,0,0]=4 327 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,0,0,0,0,0|3,0,0]=4 328 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [1,0,0,0,0,0|3,0,0]=4 329 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [1,0,0,0,0,0|3,0,0]=4 330 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [1,0,0,0,0,0|3,0,0]=4 331 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,0,0,0,0,0|3,0,0]=4 332 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [1,0,0,0,0,0|3,0,0]=4 333 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [1,0,0,0,0,0|3,0,0]=4 334 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,0,0,0,0,0|3,0,0]=4 335 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,0,0,0,0,0|3,0,0]=4 336 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [1,0,0,0,0,0|2,0,0]=3 337 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [1,0,0,0,0,0|2,0,0]=3 338 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [1,0,0,0,0,0|2,0,0]=3 339 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [1,0,0,0,0,0|2,0,0]=3 340 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,0,0,0,0,0|2,0,0]=3 341 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,0,0,0,0,0|2,0,0]=3 342 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,0,0,0,0,0|2,0,0]=3 343 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,0,0,0,0,0|2,0,0]=3 344 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,0,0,0,0,0|2,0,0]=3 345 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,0,0,0,0,0|2,0,0]=3 346 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,0,0,0,0,0|2,0,0]=3 347 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,0,0,0,0,0|2,0,0]=3 348 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,0,0,0,0,0|2,0,0]=3 349 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,0,0,0,0,0|2,0,0]=3 350 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,0,0,0,0,0|2,0,0]=3 351 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,0,0,0,0,0|2,0,0]=3 352 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,0,0,0,0,0|2,0,0]=3 353 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,0,0,0,0,0|2,0,0]=3 354 B6R0.6 CCOCCON 34a_100000700252_100000210202 [1,0,0,0,0,0|3,0,0]=4 355 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,0,0,0,0,0|2,0,0]=3 356 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,0,0,0,0,0|2,0,0]=3 357 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,0,0,0,0,0|2,0,0]=3 358 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,0,0,0,0,0|2,0,0]=3 359 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,0,0,0,0,0|2,0,0]=3 360 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,0,0,0,0,0|2,0,0]=3 361 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,0,0,0,0,0|2,0,0]=3 362 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,0,0,0,0,0|2,0,0]=3 363 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,0,0,0,0,0|2,0,0]=3 364 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [1,0,0,0,0,0|0,1,0]=2 365 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [1,0,0,0,0,0|0,1,0]=2 366 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [1,0,0,0,0,0|1,1,0]=3 367 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [1,0,0,0,0,0|1,1,0]=3 368 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [1,0,0,0,0,0|2,1,0]=4 369 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [1,0,0,0,0,0|2,1,0]=4 370 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,0,0,0,0,0|2,1,0]=4 371 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,0,0,0,0,0|2,1,0]=4 372 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,0,0,0,0,0|2,1,0]=4 373 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,0,0,0,0,0|2,1,0]=4 374 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,0,0,0,0,0|2,1,0]=4 375 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,0,0,0,0,0|2,1,0]=4 376 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,0,0,0,0,0|2,1,0]=4 377 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,0,0,0,0,0|2,1,0]=4 378 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,0,0,0,0,0|2,1,0]=4 379 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,0,0,0,0,0|2,1,0]=4 380 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,0,0,0,0,0|2,1,0]=4 381 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,0,0,0,0,0|2,1,0]=4 382 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,0,0,0,0,0|2,1,0]=4 383 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,0,0,0,0,0|2,1,0]=4 384 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,0,0,0,0,0|2,1,0]=4 385 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,0,0,0,0,0|2,1,0]=4 386 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,0,0,0,0,0|2,1,0]=4 387 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,0,0,0,0,0|2,1,0]=4 388 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,0,0,0,0,0|2,1,0]=4 389 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,0,0,0,0,0|2,1,0]=4 390 B6R0.6 COCCOCF 34a_100000210237_100015361967 [1,0,0,0,0,0|3,0,0]=4 391 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [1,0,0,0,0,0|3,0,0]=4 392 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [1,0,0,0,0,0|3,0,0]=4 393 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [1,0,0,0,0,0|3,0,0]=4 394 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [1,0,0,0,0,0|3,0,0]=4 395 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [1,0,0,0,0,0|3,0,0]=4 396 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [1,0,0,0,0,0|3,0,0]=4 397 B8R0.1 C#CCC(C)OCCC 34a_100000685586_100000210303 [0,1,0,0,0,0|1,0,2]=4 398 B8R0.1 C#CCC(C)OCCC 7a_100000685586_100000210303 [0,1,0,0,0,0|1,0,2]=4 399 B8R0.1 C#CCC(C)OCCF 34a_100000685586_100011217306 [0,1,0,0,0,0|1,0,2]=4 400 B8R0.1 C#CCC(C)OCCF 7a_100000685586_100011217306 [0,1,0,0,0,0|1,0,2]=4 401 B8R0.1 C#CCC(C)OCCO 34a_100000685586_100000211926 [0,1,0,0,0,0|1,0,2]=4 402 B8R0.1 C#CCC(C)OCCO 7a_100000685586_100000211926 [0,1,0,0,0,0|1,0,2]=4 403 B8R0.1 C#CCC(C)OCSC 34a_100000685586_100011218213 [0,1,0,0,0,0|1,0,2]=4 404 B8R0.1 C#CCNC(C)CCC 2230a_100000741246_100000038162 [0,1,0,0,0,0|2,0,1]=4 405 B8R0.1 C#CCNC(C)CCC 34a_100000212058_100000766640 [0,1,0,0,0,0|2,0,1]=4 406 B8R0.1 C#CCOC(C)/C=C/C 34a_200102604097_100000184674 [0,1,0,0,0,0|1,0,2]=4 407 B8R0.1 C#CCOC(C)C#CC 34a_100011216543_100000184674 [0,1,0,0,0,0|1,0,2]=4 408 B8R0.1 C#CCOC(C)CCBr 34a_100012276601_100000184674 [0,1,0,0,0,0|2,0,1]=4 409 B8R0.1 C#CCOC(C)CCC 34a_100000210247_100000766640 [0,1,0,0,0,0|1,0,1]=3 410 B8R0.1 C#CCOC(C)CCC 34a_100000764384_100000184674 [0,1,0,0,0,0|1,0,1]=3 411 B8R0.1 C#CCOC(C)CCC 7a_100000764384_100000038162 [0,1,0,0,0,0|1,0,1]=3 412 B8R0.1 C#CCOC(C)CCO 34a_100000210247_100009893172 [0,1,0,0,0,0|2,0,1]=4 413 B8R0.1 C#CCOC(C)COC 34a_100000210247_100000765312 [0,1,0,0,0,0|2,0,1]=4 414 B8R0.1 C#CCOC(C)COC 34a_200000093152_200000210301 [0,1,0,0,0,0|2,0,1]=4 415 B8R0.1 C#CCOC(C)COC 7a_200000093152_200000210301 [0,1,0,0,0,0|2,0,1]=4 416 B8R0.1 C#CCOC(C)CO[13CH3] 34a_200000093152_200025704644 [0,1,0,0,0,0|2,0,1]=4 417 B8R0.1 C#CCOC(C)CO[13CH3] 7a_200000093152_200025704644 [0,1,0,0,0,0|2,0,1]=4 418 B8R0.1 C#CCO[C@H](C)COC 34a_100011934205_100000184674 [0,1,0,0,0,0|2,0,1]=4 419 B8R0.1 C#CCSC(C)CCC 62a_100000038162_100000766640 [0,1,0,0,0,0|1,1,1]=4 420 B8R0.1 C/C=C/C(C)OCC=O 34a_200102604097_200009817547 [0,1,0,0,0,0|1,0,2]=4 421 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [0,1,0,0,0,0|1,0,1]=3 422 B8R0.1 C/C=C/C(C)OCCF 34a_200102604097_100011217306 [0,1,0,0,0,0|1,0,1]=3 423 B8R0.1 C/C=C/C(C)OCCO 34a_200102604097_100000211926 [0,1,0,0,0,0|1,0,1]=3 424 B8R0.1 C/C=C/C(C)OCSC 34a_200102604097_100011218213 [0,1,0,0,0,0|1,0,1]=3 425 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [0,1,0,0,0,0|1,0,2]=4 426 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [0,1,0,0,0,0|1,0,2]=4 427 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [0,1,0,0,0,0|2,0,1]=4 428 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [0,1,0,0,0,0|1,0,1]=3 429 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [0,1,0,0,0,0|1,0,1]=3 430 B8R0.1 C=CCCC(C)OCF 34a_100000765329_100015361967 [0,1,0,0,0,0|2,0,1]=4 431 B8R0.1 C=CCCC(C)OCF 7a_100000765329_100015361967 [0,1,0,0,0,0|2,0,1]=4 432 B8R0.1 C=CCNC(C)CCC 2230a_100000741246_100000210623 [0,1,0,0,0,0|2,0,1]=4 433 B8R0.1 C=CCNC(C)CCC 2230a_100020586998_100000766640 [0,1,0,0,0,0|2,0,1]=4 434 B8R0.1 C=CCNC(C)CCC 270004a_100020586998_100000211909 [0,1,0,0,0,0|2,0,1]=4 435 B8R0.1 C=CCOC(C)/C=C/C 34a_200102604097_100015514636 [0,1,0,0,0,0|1,0,2]=4 436 B8R0.1 C=CCOC(C)C#CC 34a_100011216543_100015514636 [0,1,0,0,0,0|1,0,2]=4 437 B8R0.1 C=CCOC(C)CCBr 34a_100012276601_100015514636 [0,1,0,0,0,0|2,0,1]=4 438 B8R0.1 C=CCOC(C)CCC 34a_100000764384_100015514636 [0,1,0,0,0,0|1,0,1]=3 439 B8R0.1 C=CCOC(C)CCC 34a_200000210373_100000766640 [0,1,0,0,0,0|1,0,1]=3 440 B8R0.1 C=CCOC(C)CCC 7a_100000764384_100015514636 [0,1,0,0,0,0|1,0,1]=3 441 B8R0.1 C=CCOC(C)CCO 34a_200000210373_100009893172 [0,1,0,0,0,0|2,0,1]=4 442 B8R0.1 C=CCOC(C)COC 34a_200000210373_100000765312 [0,1,0,0,0,0|2,0,1]=4 443 B8R0.1 C=CCO[C@H](C)COC 34a_100011934205_100015514636 [0,1,0,0,0,0|2,0,1]=4 444 B8R0.1 C=CCSC(C)CCC 62a_100000210623_100000766640 [0,1,0,0,0,0|1,1,1]=4 445 B8R0.1 C=CCSC(C)CCC 62a_100000766640_100000210623 [0,1,0,0,0,0|1,1,1]=4 446 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [0,1,0,0,0,0|1,0,2]=4 447 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [0,1,0,0,0,0|1,0,2]=4 448 B8R0.1 C=CC[C@@H](C)OCCF 34a_100000731007_100011217306 [0,1,0,0,0,0|1,0,2]=4 449 B8R0.1 C=CC[C@@H](C)OCCF 7a_100000731007_100011217306 [0,1,0,0,0,0|1,0,2]=4 450 B8R0.1 C=CC[C@@H](C)OCCO 34a_100000731007_100000211926 [0,1,0,0,0,0|1,0,2]=4 451 B8R0.1 C=CC[C@@H](C)OCCO 7a_100000731007_100000211926 [0,1,0,0,0,0|1,0,2]=4 452 B8R0.1 C=CC[C@@H](C)OCSC 34a_100000731007_100011218213 [0,1,0,0,0,0|1,0,2]=4 453 B8R0.1 CC#CC(C)OCC=O 34a_100011216543_200009817547 [0,1,0,0,0,0|1,0,2]=4 454 B8R0.1 CC#CC(C)OCCC 34a_100011216543_100000210303 [0,1,0,0,0,0|1,0,1]=3 455 B8R0.1 CC#CC(C)OCCF 34a_100011216543_100011217306 [0,1,0,0,0,0|1,0,1]=3 456 B8R0.1 CC#CC(C)OCCO 34a_100011216543_100000211926 [0,1,0,0,0,0|1,0,1]=3 457 B8R0.1 CC#CC(C)OCSC 34a_100011216543_100011218213 [0,1,0,0,0,0|1,0,1]=3 458 B8R0.1 CC(CCBr)OCC=O 34a_100012276601_200009817547 [0,1,0,0,0,0|2,0,1]=4 459 B8R0.1 CC(CCBr)OCCF 34a_100012276601_100011217306 [0,1,0,0,0,0|2,0,0]=3 460 B8R0.1 CC(CCBr)OCCO 34a_100012276601_100000211926 [0,1,0,0,0,0|2,0,0]=3 461 B8R0.1 CC(CCCCl)OCF 34a_200000718107_100015361967 [0,1,0,0,0,0|2,0,0]=3 462 B8R0.1 CC(CCCCl)OCF 7a_200000718107_100015361967 [0,1,0,0,0,0|2,0,0]=3 463 B8R0.1 CC(CCN)COCF 34a_106354213184_100015361967 [0,1,0,0,0,0|3,0,0]=4 464 B8R0.1 CC(CCO)NCCF 34a_100000724931_100009893172 [0,1,0,0,0,0|3,0,0]=4 465 B8R0.1 CC(CCO)NCCO 2230a_100016997473_100009893172 [0,1,0,0,0,0|3,0,0]=4 466 B8R0.1 CC(CCO)NCCO 34a_100016990907_100009893172 [0,1,0,0,0,0|3,0,0]=4 467 B8R0.1 CC(CCO)OCCBr 34a_100000211926_100009893172 [0,1,0,0,0,0|2,0,0]=3 468 B8R0.1 CC(CCO)OCCN 34a_100000210304_100009893172 [0,1,0,0,0,0|2,0,0]=3 469 B8R0.1 CC(CCO)SCCF 62a_100009893172_100011217306 [0,1,0,0,0,0|2,1,0]=4 470 B8R0.1 CC(CCO)SCCF 62a_100011217306_100009893172 [0,1,0,0,0,0|2,1,0]=4 471 B8R0.1 CC(CCO)SCCO 62a_100000211926_100009893172 [0,1,0,0,0,0|2,1,0]=4 472 B8R0.1 CC(CCO)SCCO 62a_100009893172_100000211926 [0,1,0,0,0,0|2,1,0]=4 473 B8R0.1 CCC#CC(C)OCC 34a_100000033903_100000210202 [0,1,0,0,0,0|1,0,0]=2 474 B8R0.1 CCC#CC(C)OCC 7a_100000033903_100000210202 [0,1,0,0,0,0|1,0,0]=2 475 B8R0.1 CCC#CC(C)OCF 34a_100000033903_100015361967 [0,1,0,0,0,0|2,0,0]=3 476 B8R0.1 CCC#CC(C)OCF 7a_100000033903_100015361967 [0,1,0,0,0,0|2,0,0]=3 477 B8R0.1 CCCC(=NNCC)C 4a_100000756455_100000211909 [0,1,0,0,0,0|2,0,1]=4 478 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,1,0,0,0,0|2,0,1]=4 479 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,1,0,0,0,0|2,0,1]=4 480 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,1,0,0,0,0|2,0,1]=4 481 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,1,0,0,0,0|2,0,1]=4 482 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,1,0,0,0,0|2,0,1]=4 483 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,1,0,0,0,0|2,0,1]=4 484 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [0,1,0,0,0,0|2,0,0]=3 485 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [0,1,0,0,0,0|2,0,0]=3 486 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [0,1,0,0,0,0|2,0,0]=3 487 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [0,1,0,0,0,0|2,0,0]=3 488 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [0,1,0,0,0,0|2,0,0]=3 489 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [0,1,0,0,0,0|2,0,0]=3 490 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [0,1,0,0,0,0|1,0,0]=2 491 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [0,1,0,0,0,0|1,0,0]=2 492 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [0,1,0,0,0,0|1,0,0]=2 493 B8R0.1 CCCC(C)COCF 34a_100000688023_100015361967 [0,1,0,0,0,0|2,0,0]=3 494 B8R0.1 CCCC(C)COCF 7a_100000688023_100015361967 [0,1,0,0,0,0|2,0,0]=3 495 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [0,1,0,0,0,0|1,1,0]=3 496 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [0,1,0,0,0,0|1,1,0]=3 497 B8R0.1 CCCC(C)CSCF 62a_100011216630_100015361967 [0,1,0,0,0,0|2,1,0]=4 498 B8R0.1 CCCC(C)CSCF 62a_100015361967_100011216630 [0,1,0,0,0,0|2,1,0]=4 499 B8R0.1 CCCC(C)NCC#N 2230a_100000741246_100011215382 [0,1,0,0,0,0|2,0,1]=4 500 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [0,1,0,0,0,0|2,0,1]=4 501 B8R0.1 CCCC(C)NCCF 2230a_100000741246_100011217306 [0,1,0,0,0,0|2,0,0]=3 502 B8R0.1 CCCC(C)NCCF 34a_100000724931_100000766640 [0,1,0,0,0,0|2,0,0]=3 503 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [0,1,0,0,0,0|2,0,0]=3 504 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [0,1,0,0,0,0|2,0,0]=3 505 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [0,1,0,0,0,0|2,0,0]=3 506 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [0,1,0,0,0,0|2,0,0]=3 507 B8R0.1 CCCC(C)NCOC 2230a_100000741246_100000766300 [0,1,0,0,0,0|2,0,0]=3 508 B8R0.1 CCCC(C)NCSC 2230a_100000741246_100011218213 [0,1,0,0,0,0|2,0,0]=3 509 B8R0.1 CCCC(C)OCC#N 7a_100000764384_100011215382 [0,1,0,0,0,0|1,0,1]=3 510 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [0,1,0,0,0,0|1,0,1]=3 511 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [0,1,0,0,0,0|1,0,1]=3 512 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [0,1,0,0,0,0|1,0,0]=2 513 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [0,1,0,0,0,0|1,0,0]=2 514 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [0,1,0,0,0,0|1,0,0]=2 515 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [0,1,0,0,0,0|1,0,0]=2 516 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [0,1,0,0,0,0|1,0,0]=2 517 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [0,1,0,0,0,0|1,0,0]=2 518 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [0,1,0,0,0,0|1,0,0]=2 519 B8R0.1 CCCC(C)SCC#N 62a_100000766640_100011215382 [0,1,0,0,0,0|1,1,1]=4 520 B8R0.1 CCCC(C)SCC#N 62a_100011215382_100000766640 [0,1,0,0,0,0|1,1,1]=4 521 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [0,1,0,0,0,0|1,1,1]=4 522 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [0,1,0,0,0,0|1,1,1]=4 523 B8R0.1 CCCC(C)SCCF 62a_100000766640_100011217306 [0,1,0,0,0,0|1,1,0]=3 524 B8R0.1 CCCC(C)SCCF 62a_100011217306_100000766640 [0,1,0,0,0,0|1,1,0]=3 525 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [0,1,0,0,0,0|1,1,0]=3 526 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [0,1,0,0,0,0|1,1,0]=3 527 B8R0.1 CCCC(C)SCOC 62a_100000766300_100000766640 [0,1,0,0,0,0|1,1,0]=3 528 B8R0.1 CCCC(C)SCOC 62a_100000766640_100000766300 [0,1,0,0,0,0|1,1,0]=3 529 B8R0.1 CCCC(C)SCSC 62a_100000766640_100011218213 [0,1,0,0,0,0|1,1,0]=3 530 B8R0.1 CCCC(C)SCSC 62a_100011218213_100000766640 [0,1,0,0,0,0|1,1,0]=3 531 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [0,1,0,0,0,0|3,0,0]=4 532 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [0,1,0,0,0,0|3,0,0]=4 533 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [0,1,0,0,0,0|3,0,0]=4 534 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [0,1,0,0,0,0|3,0,0]=4 535 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [0,1,0,0,0,0|2,0,0]=3 536 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [0,1,0,0,0,0|2,0,0]=3 537 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [0,1,0,0,0,0|2,0,0]=3 538 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,1,0,0,0,0|1,0,0]=2 539 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,1,0,0,0,0|1,0,0]=2 540 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,1,0,0,0,0|1,0,0]=2 541 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [0,1,0,0,0,0|2,0,0]=3 542 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [0,1,0,0,0,0|2,0,0]=3 543 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [0,1,0,0,0,0|1,1,0]=3 544 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [0,1,0,0,0,0|1,1,0]=3 545 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [0,1,0,0,0,0|2,1,0]=4 546 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [0,1,0,0,0,0|2,1,0]=4 547 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [0,1,0,0,0,0|3,0,0]=4 548 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [0,1,0,0,0,0|3,0,0]=4 549 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [0,1,0,0,0,0|3,0,0]=4 550 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [0,1,0,0,0,0|3,0,0]=4 551 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [0,1,0,0,0,0|3,0,0]=4 552 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [0,1,0,0,0,0|3,0,0]=4 553 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [0,1,0,0,0,0|3,0,0]=4 554 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [0,1,0,0,0,0|3,0,0]=4 555 B8R0.1 CCCN(C)CCCF 2230a_100000747261_100011934791 [0,1,0,0,0,0|3,0,0]=4 556 B8R0.1 CCCN(C)CCCF 269982a_100000747261_100011934791 [0,1,0,0,0,0|3,0,0]=4 557 B8R0.1 CCCN(C)CCCO 2230a_100000213112_100000210303 [0,1,0,0,0,0|3,0,0]=4 558 B8R0.1 CCCN(C)CCCO 2230a_100000747261_100000230001 [0,1,0,0,0,0|3,0,0]=4 559 B8R0.1 CCCN(C)CCCO 269982a_100000213112_100000210303 [0,1,0,0,0,0|3,0,0]=4 560 B8R0.1 CCCN(C)CCCO 269982a_100000747261_100011215043 [0,1,0,0,0,0|3,0,0]=4 561 B8R0.1 CCCN(C)CCOC 2230a_100000743101_100000210303 [0,1,0,0,0,0|3,0,0]=4 562 B8R0.1 CCCN(C)CCOC 2230a_100000747261_100011201679 [0,1,0,0,0,0|3,0,0]=4 563 B8R0.1 CCCN(C)CCOC 2230a_200011192371_200000210301 [0,1,0,0,0,0|3,0,0]=4 564 B8R0.1 CCCN(C)CCOC 269982a_100000743101_100000210303 [0,1,0,0,0,0|3,0,0]=4 565 B8R0.1 CCCN(C)CCOC 269982a_100000747261_100000233755 [0,1,0,0,0,0|3,0,0]=4 566 B8R0.1 CCCN(C)CCOC 269982a_200011192371_200000210301 [0,1,0,0,0,0|3,0,0]=4 567 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [0,1,0,0,0,0|3,0,0]=4 568 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [0,1,0,0,0,0|3,0,0]=4 569 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [0,1,0,0,0,0|3,0,0]=4 570 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [0,1,0,0,0,0|3,0,0]=4 571 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [0,1,0,0,0,0|2,0,0]=3 572 B8R0.1 CCCN([13CH3])CCOC 2230a_200011192371_200025704644 [0,1,0,0,0,0|3,0,0]=4 573 B8R0.1 CCCN([13CH3])CCOC 269982a_200011192371_200025704644 [0,1,0,0,0,0|3,0,0]=4 574 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [0,1,0,0,0,0|2,0,0]=3 575 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [0,1,0,0,0,0|2,0,0]=3 576 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [0,1,0,0,0,0|3,0,0]=4 577 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [0,1,0,0,0,0|3,0,0]=4 578 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [0,1,0,0,0,0|3,0,0]=4 579 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [0,1,0,0,0,0|3,0,0]=4 580 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [0,1,0,0,0,0|3,0,0]=4 581 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [0,1,0,0,0,0|2,0,0]=3 582 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [0,1,0,0,0,0|1,0,0]=2 583 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [0,1,0,0,0,0|1,0,0]=2 584 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [0,1,0,0,0,0|1,0,0]=2 585 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [0,1,0,0,0,0|2,0,0]=3 586 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [0,1,0,0,0,0|2,0,0]=3 587 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [0,1,0,0,0,0|2,0,0]=3 588 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [0,1,0,0,0,0|2,0,0]=3 589 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [0,1,0,0,0,0|2,0,0]=3 590 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [0,1,0,0,0,0|2,0,0]=3 591 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [0,1,0,0,0,0|2,0,0]=3 592 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [0,1,0,0,0,0|1,1,0]=3 593 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [0,1,0,0,0,0|1,1,0]=3 594 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [0,1,0,0,0,0|2,1,0]=4 595 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [0,1,0,0,0,0|2,1,0]=4 596 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [0,1,0,0,0,0|2,1,0]=4 597 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [0,1,0,0,0,0|2,1,0]=4 598 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [0,1,0,0,0,0|3,0,0]=4 599 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [0,1,0,0,0,0|3,0,0]=4 600 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [0,1,0,0,0,0|2,0,0]=3 601 B8R0.1 CCC[C@H](N)COCF 34a_100000732646_100015361967 [0,1,0,0,0,0|3,0,0]=4 602 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,1,0,0,0,0|2,0,1]=4 603 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,1,0,0,0,0|2,0,1]=4 604 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,1,0,0,0,0|2,0,1]=4 605 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,1,0,0,0,0|2,0,1]=4 606 B8R0.1 CCNC(C)CCOC 270004a_100015525214_100000742357 [0,1,0,0,0,0|2,0,0]=3 607 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [0,1,0,0,0,0|2,0,0]=3 608 B8R0.1 CCNC(C)CSCC 270004a_100015525214_200011216171 [0,1,0,0,0,0|1,1,0]=3 609 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,1,0,0,0,0|2,0,1]=4 610 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,1,0,0,0,0|2,0,1]=4 611 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,1,0,0,0,0|2,0,1]=4 612 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,1,0,0,0,0|2,0,1]=4 613 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,1,0,0,0,0|2,0,1]=4 614 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,1,0,0,0,0|2,0,1]=4 615 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,1,0,0,0,0|2,0,1]=4 616 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,1,0,0,0,0|2,0,1]=4 617 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,1,0,0,0,0|2,0,1]=4 618 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,1,0,0,0,0|1,1,1]=4 619 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,1,0,0,0,0|1,1,1]=4 620 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,1,0,0,0,0|1,0,1]=3 621 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,1,0,0,0,0|1,0,1]=3 622 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [0,1,0,0,0,0|1,0,0]=2 623 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [0,1,0,0,0,0|1,0,0]=2 624 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,1,0,0,0,0|1,0,1]=3 625 B8R0.1 CCOCC(C)CCN 34a_106354213184_100000210202 [0,1,0,0,0,0|2,0,0]=3 626 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [0,1,0,0,0,0|0,0,0]=1 627 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [0,1,0,0,0,0|0,0,0]=1 628 B8R0.1 CCOCC(C)OCF 34a_100000718985_100015361967 [0,1,0,0,0,0|1,0,0]=2 629 B8R0.1 CCOCC(C)OCF 7a_100000718985_100015361967 [0,1,0,0,0,0|1,0,0]=2 630 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [0,1,0,0,0,0|3,0,0]=4 631 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [0,1,0,0,0,0|3,0,0]=4 632 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [0,1,0,0,0,0|3,0,0]=4 633 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [0,1,0,0,0,0|3,0,0]=4 634 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [0,1,0,0,0,0|3,0,0]=4 635 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [0,1,0,0,0,0|3,0,0]=4 636 B8R0.1 CCOCN(C)CCO 269982a_100000210263_100000739092 [0,1,0,0,0,0|3,0,0]=4 637 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [0,1,0,0,0,0|3,0,0]=4 638 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [0,1,0,0,0,0|3,0,0]=4 639 B8R0.1 COCC(C)NCCF 34a_100000724931_100000765312 [0,1,0,0,0,0|3,0,0]=4 640 B8R0.1 COCC(C)NCCO 2230a_100016997473_100000765312 [0,1,0,0,0,0|3,0,0]=4 641 B8R0.1 COCC(C)NCCO 270004a_100000210304_100000749346 [0,1,0,0,0,0|3,0,0]=4 642 B8R0.1 COCC(C)NCCO 34a_100016990907_100000765312 [0,1,0,0,0,0|3,0,0]=4 643 B8R0.1 COCC(C)OCCBr 34a_100000211926_100000765312 [0,1,0,0,0,0|2,0,0]=3 644 B8R0.1 COCC(C)OCCN 34a_100000210304_100000765312 [0,1,0,0,0,0|2,0,0]=3 645 B8R0.1 COCC(C)SCCF 62a_100000765312_100011217306 [0,1,0,0,0,0|2,1,0]=4 646 B8R0.1 COCC(C)SCCF 62a_100011217306_100000765312 [0,1,0,0,0,0|2,1,0]=4 647 B8R0.1 COCC(C)SCCO 62a_100000211926_100000765312 [0,1,0,0,0,0|2,1,0]=4 648 B8R0.1 COCC(C)SCCO 62a_100000765312_100000211926 [0,1,0,0,0,0|2,1,0]=4 649 B8R0.1 COCC(C)SCSC 62a_100000765312_100011218213 [0,1,0,0,0,0|2,1,0]=4 650 B8R0.1 COCC(C)SCSC 62a_100011218213_100000765312 [0,1,0,0,0,0|2,1,0]=4 651 B8R0.1 COCN[C@H](C)CCO 2230a_100000706166_100000766300 [0,1,0,0,0,0|3,0,0]=4 652 B8R0.1 COCN[C@H](C)COC 2230a_100000764878_100000766300 [0,1,0,0,0,0|3,0,0]=4 653 B8R0.1 COCO[C@H](C)COC 34a_100016172286_200000210301 [0,1,0,0,0,0|2,0,0]=3 654 B8R0.1 COCO[C@H](C)COC 7a_100016172286_200000210301 [0,1,0,0,0,0|2,0,0]=3 655 B8R0.1 COCO[C@H](C)CO[13CH3] 34a_100016172286_200025704644 [0,1,0,0,0,0|2,0,0]=3 656 B8R0.1 COCO[C@H](C)CO[13CH3] 7a_100016172286_200025704644 [0,1,0,0,0,0|2,0,0]=3 657 B8R0.1 COCSC(C)CCO 62a_100000766300_100009893172 [0,1,0,0,0,0|2,1,0]=4 658 B8R0.1 COCSC(C)CCO 62a_100009893172_100000766300 [0,1,0,0,0,0|2,1,0]=4 659 B8R0.1 COCSC(C)COC 62a_100000765312_100000766300 [0,1,0,0,0,0|2,1,0]=4 660 B8R0.1 COCSC(C)COC 62a_100000766300_100000765312 [0,1,0,0,0,0|2,1,0]=4 661 B8R0.1 COC[C@@H](C)NCCF 2230a_100000764878_100011217306 [0,1,0,0,0,0|3,0,0]=4 662 B8R0.1 COC[C@@H](C)NCCO 2230a_100000764878_100000211926 [0,1,0,0,0,0|3,0,0]=4 663 B8R0.1 COC[C@@H](C)NCSC 2230a_100000764878_100011218213 [0,1,0,0,0,0|3,0,0]=4 664 B8R0.1 COC[C@@H](C)OCC=O 34a_100011934205_200009817547 [0,1,0,0,0,0|2,0,1]=4 665 B8R0.1 COC[C@@H](C)OCCF 34a_100011934205_100011217306 [0,1,0,0,0,0|2,0,0]=3 666 B8R0.1 COC[C@@H](C)OCCO 34a_100011934205_100000211926 [0,1,0,0,0,0|2,0,0]=3 667 B8R0.1 COC[C@@H](C)OCSC 34a_100011934205_100011218213 [0,1,0,0,0,0|2,0,0]=3 668 B8R0.1 CSCC(C)NCCO 270004a_100000210304_100011216314 [0,1,0,0,0,0|3,0,0]=4 669 B8R0.1 CSCN[C@H](C)CCO 2230a_100000706166_100011218213 [0,1,0,0,0,0|3,0,0]=4 670 B8R0.1 CSCN[C@H](C)CCO 34a_100000706166_100011218213 [0,1,0,0,0,0|3,0,0]=4 671 B8R0.1 CSCOC(C)CCBr 34a_100012276601_100011218213 [0,1,0,0,0,0|2,0,0]=3 672 B8R0.1 CSCSC(C)CCO 62a_100009893172_100011218213 [0,1,0,0,0,0|2,1,0]=4 673 B8R0.1 CSCSC(C)CCO 62a_100011218213_100009893172 [0,1,0,0,0,0|2,1,0]=4 674 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [0,1,0,0,0,0|3,0,0]=4 675 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [0,1,0,0,0,0|3,0,0]=4 676 B8R0.1 C[C@H](CCO)NCCF 2230a_100000706166_100011217306 [0,1,0,0,0,0|3,0,0]=4 677 B8R0.1 C[C@H](CCO)NCCF 34a_100000706166_100011217306 [0,1,0,0,0,0|3,0,0]=4 678 B8R0.1 C[C@H](CCO)NCCO 2230a_100000706166_100000211926 [0,1,0,0,0,0|3,0,0]=4 679 B8R0.1 C[C@H](CCO)NCCO 34a_100000706166_100000211926 [0,1,0,0,0,0|3,0,0]=4 680 B8R0.3 C/C=C(\C)/C(C)NCC 269862a_100015525214_100020675665 [0,1,0,0,0,0|2,0,1]=4 681 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 34a_100015455354_100000210202 [0,1,0,0,0,0|1,0,2]=4 682 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 7a_100015455354_100000210202 [0,1,0,0,0,0|1,0,2]=4 683 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,1,0,0,0,0|2,0,1]=4 684 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,1,0,0,0,0|3,0,0]=4 685 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,1,0,0,0,0|3,0,0]=4 686 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,1,0,0,0,0|3,0,0]=4 687 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,1,0,0,0,0|3,0,0]=4 688 B8R0.3 CCC(=O)C(C)SCF 62a_100000742827_100015361967 [0,1,0,0,0,0|2,1,0]=4 689 B8R0.3 CCC(=O)C(C)SCF 62a_100015361967_100000742827 [0,1,0,0,0,0|2,1,0]=4 690 B8R0.3 CCC(C)C(C)OCF 7a_100011215189_100015361967 [0,1,0,0,0,0|2,0,0]=3 691 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,1,0,0,0,0|2,0,0]=3 692 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,1,0,0,0,0|2,0,0]=3 693 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,1,0,0,0,0|3,0,0]=4 694 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,1,0,0,0,0|3,0,0]=4 695 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,1,0,0,0,0|3,0,0]=4 696 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,1,0,0,0,0|3,0,0]=4 697 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,1,0,0,0,0|3,0,0]=4 698 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,1,0,0,0,0|3,0,0]=4 699 B8R0.3 CCCC(C)C(C)NC 270004a_106832991635_100011216282 [0,1,0,0,0,0|3,0,0]=4 700 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [0,1,0,0,0,0|3,0,0]=4 701 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [0,1,0,0,0,0|3,0,0]=4 702 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [0,1,0,0,0,0|3,0,0]=4 703 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [0,1,0,0,0,0|3,0,0]=4 704 B8R0.3 CCCC(C)N(C)CC 2230a_100000225621_100000766640 [0,1,0,0,0,0|2,0,0]=3 705 B8R0.3 CCCC(C)N(C)CC 269982a_100000225621_100000766640 [0,1,0,0,0,0|2,0,0]=3 706 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 707 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 708 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 709 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 710 B8R0.3 CCCN(C)C(C)CC 2230a_100000741768_100000210303 [0,1,0,0,0,0|3,0,0]=4 711 B8R0.3 CCCN(C)C(C)CC 2230a_100000747261_100000758301 [0,1,0,0,0,0|3,0,0]=4 712 B8R0.3 CCCN(C)C(C)CC 2230a_200011216551_200000210301 [0,1,0,0,0,0|3,0,0]=4 713 B8R0.3 CCCN(C)C(C)CC 269982a_100000741768_100000210303 [0,1,0,0,0,0|3,0,0]=4 714 B8R0.3 CCCN(C)C(C)CC 269982a_100000747261_100000758301 [0,1,0,0,0,0|3,0,0]=4 715 B8R0.3 CCCN(C)C(C)CC 269982a_200011216551_200000210301 [0,1,0,0,0,0|3,0,0]=4 716 B8R0.3 CCCN([13CH3])C(C)CC 2230a_200011216551_200025704644 [0,1,0,0,0,0|3,0,0]=4 717 B8R0.3 CCCN([13CH3])C(C)CC 269982a_200011216551_200025704644 [0,1,0,0,0,0|3,0,0]=4 718 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,1,0,0,0,0|3,0,0]=4 719 B8R0.3 CCN(C)C(C)CCO 2230a_100000225621_100009893172 [0,1,0,0,0,0|3,0,0]=4 720 B8R0.3 CCN(C)C(C)CCO 2230a_100000731037_100000210202 [0,1,0,0,0,0|3,0,0]=4 721 B8R0.3 CCN(C)C(C)CCO 2230a_100011935059_200000210301 [0,1,0,0,0,0|3,0,0]=4 722 B8R0.3 CCN(C)C(C)CCO 269982a_100000225621_100009893172 [0,1,0,0,0,0|3,0,0]=4 723 B8R0.3 CCN(C)C(C)CCO 269982a_100000731037_100000204670 [0,1,0,0,0,0|3,0,0]=4 724 B8R0.3 CCN(C)C(C)CCO 269982a_100011935059_200000210301 [0,1,0,0,0,0|3,0,0]=4 725 B8R0.3 CCN(C)C(C)COC 2230a_100000225621_100000765312 [0,1,0,0,0,0|3,0,0]=4 726 B8R0.3 CCN(C)C(C)COC 269982a_100000225621_100000765312 [0,1,0,0,0,0|3,0,0]=4 727 B8R0.3 CCN(C)C(C)COC 7a_100000732741_200000210301 [0,1,0,0,0,0|3,0,0]=4 728 B8R0.3 CCN(C)C(C)CO[13CH3] 7a_100000732741_200025704644 [0,1,0,0,0,0|3,0,0]=4 729 B8R0.3 CCN([13CH3])C(C)CCO 2230a_100011935059_200025704644 [0,1,0,0,0,0|3,0,0]=4 730 B8R0.3 CCN([13CH3])C(C)CCO 269982a_100011935059_200025704644 [0,1,0,0,0,0|3,0,0]=4 731 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,1,0,0,0,0|2,0,0]=3 732 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,1,0,0,0,0|3,0,0]=4 733 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,1,0,0,0,0|3,0,0]=4 734 B8R0.3 CCNC(C)C(C)CC 269862a_100015525214_100000210599 [0,1,0,0,0,0|2,0,0]=3 735 B8R0.3 CCNC(C)C(C)CC 270004a_100015525214_100000210599 [0,1,0,0,0,0|2,0,0]=3 736 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,1,0,0,0,0|3,0,0]=4 737 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,1,0,0,0,0|3,0,0]=4 738 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,1,0,0,0,0|1,0,0]=2 739 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,1,0,0,0,0|2,0,0]=3 740 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,1,0,0,0,0|2,0,0]=3 741 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,1,0,0,0,0|2,0,0]=3 742 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,1,0,0,0,0|2,0,0]=3 743 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,1,0,0,0,0|2,0,0]=3 744 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,1,0,0,0,0|2,0,0]=3 745 B8R0.3 CCOC(C)C(=O)NN 34a_100000725659_100000210202 [0,1,0,0,0,0|3,0,0]=4 746 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,1,0,0,0,0|2,0,0]=3 747 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,1,0,0,0,0|2,0,0]=3 748 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [0,1,0,0,0,0|1,0,0]=2 749 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,1,0,0,0,0|3,0,0]=4 750 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,1,0,0,0,0|1,1,0]=3 751 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,1,0,0,0,0|1,1,0]=3 752 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,1,0,0,0,0|1,1,0]=3 753 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,1,0,0,0,0|2,1,0]=4 754 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,1,0,0,0,0|2,1,0]=4 755 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,1,0,0,0,0|2,1,0]=4 756 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,1,0,0,0,0|2,1,0]=4 757 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,1,0,0,0,0|2,1,0]=4 758 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,1,0,0,0,0|2,1,0]=4 759 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,1,0,0,0,0|2,1,0]=4 760 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,1,0,0,0,0|2,1,0]=4 761 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,1,0,0,0,0|2,1,0]=4 762 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,1,0,0,0,0|3,0,0]=4 763 B8R0.5 C#CCC(C)OC(C)C 34a_100000685586_100000210206 [0,1,0,0,0,0|1,0,2]=4 764 B8R0.5 C#CCC(C)OC(C)C 7a_100000685586_100000210206 [0,1,0,0,0,0|1,0,2]=4 765 B8R0.5 C/C=C/C(C)OC(C)C 34a_200102604097_100000210206 [0,1,0,0,0,0|1,0,1]=3 766 B8R0.5 C=CC[C@@H](C)OC(C)C 34a_100000731007_100000210206 [0,1,0,0,0,0|1,0,2]=4 767 B8R0.5 C=CC[C@@H](C)OC(C)C 7a_100000731007_100000210206 [0,1,0,0,0,0|1,0,2]=4 768 B8R0.5 CC#CC(C)OC(C)C 34a_100011216543_100000210206 [0,1,0,0,0,0|1,0,1]=3 769 B8R0.5 CC(=CC(C)OCF)C 34a_100000717055_100015361967 [0,1,0,0,0,0|2,0,1]=4 770 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [0,1,0,0,0,0|1,1,1]=4 771 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [0,1,0,0,0,0|1,1,1]=4 772 B8R0.5 CC(C)CC(C)OCF 34a_100000211805_100015361967 [0,1,0,0,0,0|2,0,0]=3 773 B8R0.5 CC(C)CC(C)OCF 7a_100000211805_100015361967 [0,1,0,0,0,0|2,0,0]=3 774 B8R0.5 CC(C)CC(C)SCF 62a_100000731052_100015361967 [0,1,0,0,0,0|2,1,0]=4 775 B8R0.5 CC(C)CC(C)SCF 62a_100015361967_100000731052 [0,1,0,0,0,0|2,1,0]=4 776 B8R0.5 CC(C)NC(C)CCO 2230a_100138425928_100009893172 [0,1,0,0,0,0|3,0,0]=4 777 B8R0.5 CC(C)NC(C)CCO 34a_100138425928_100009893172 [0,1,0,0,0,0|3,0,0]=4 778 B8R0.5 CC(C)N[C@H](C)CCO 2230a_100000706166_100000210206 [0,1,0,0,0,0|3,0,0]=4 779 B8R0.5 CC(C)N[C@H](C)CCO 34a_100000706166_100000210206 [0,1,0,0,0,0|3,0,0]=4 780 B8R0.5 CC(C)OC(C)CCBr 34a_100012276601_100000210206 [0,1,0,0,0,0|2,0,0]=3 781 B8R0.5 CC(C)OC(C)CCO 34a_100000212225_100009893172 [0,1,0,0,0,0|2,0,0]=3 782 B8R0.5 CC(C)SC(C)CCO 62a_100000210206_100009893172 [0,1,0,0,0,0|2,1,0]=4 783 B8R0.5 CC(C)SC(C)CCO 62a_100009893172_100000210206 [0,1,0,0,0,0|2,1,0]=4 784 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,1,0,0,0,0|2,0,1]=4 785 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,1,0,0,0,0|2,0,1]=4 786 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,1,0,0,0,0|2,0,1]=4 787 B8R0.5 CCCC(C)CN(C)C 2230a_100102631434_100011216630 [0,1,0,0,0,0|3,0,0]=4 788 B8R0.5 CCCC(C)CN(C)C 269982a_100102631434_100011216630 [0,1,0,0,0,0|3,0,0]=4 789 B8R0.5 CCCC(C)CN(C)C 270004a_100102631434_100000243154 [0,1,0,0,0,0|3,0,0]=4 790 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,1,0,0,0,0|2,0,1]=4 791 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,1,0,0,0,0|2,0,1]=4 792 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,1,0,0,0,0|2,0,1]=4 793 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,1,0,0,0,0|2,0,1]=4 794 B8R0.5 CCCC(C)NC(C)C 2230a_100000741246_100000210206 [0,1,0,0,0,0|2,0,0]=3 795 B8R0.5 CCCC(C)NC(C)C 2230a_100138425928_100000766640 [0,1,0,0,0,0|2,0,0]=3 796 B8R0.5 CCCC(C)NC(C)C 34a_100138425928_100000766640 [0,1,0,0,0,0|2,0,0]=3 797 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [0,1,0,0,0,0|1,0,0]=2 798 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [0,1,0,0,0,0|1,0,0]=2 799 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [0,1,0,0,0,0|1,0,0]=2 800 B8R0.5 CCCC(C)SC(C)C 62a_100000210206_100000766640 [0,1,0,0,0,0|1,1,0]=3 801 B8R0.5 CCCC(C)SC(C)C 62a_100000766640_100000210206 [0,1,0,0,0,0|1,1,0]=3 802 B8R0.5 CCCN(C)CC(C)C 2230a_100000747067_100000210303 [0,1,0,0,0,0|3,0,0]=4 803 B8R0.5 CCCN(C)CC(C)C 2230a_100000747261_100000210760 [0,1,0,0,0,0|3,0,0]=4 804 B8R0.5 CCCN(C)CC(C)C 269982a_100000747067_100000210303 [0,1,0,0,0,0|3,0,0]=4 805 B8R0.5 CCCN(C)CC(C)C 269982a_100000747261_100000210624 [0,1,0,0,0,0|3,0,0]=4 806 B8R0.5 CCCN(C)CC(C)C 270004a_100000747261_100000210432 [0,1,0,0,0,0|3,0,0]=4 807 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [0,1,0,0,0,0|3,0,0]=4 808 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [0,1,0,0,0,0|3,0,0]=4 809 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [0,1,0,0,0,0|3,0,0]=4 810 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [0,1,0,0,0,0|3,0,0]=4 811 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [0,1,0,0,0,0|3,0,0]=4 812 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [0,1,0,0,0,0|3,0,0]=4 813 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [0,1,0,0,0,0|2,0,0]=3 814 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [0,1,0,0,0,0|2,0,0]=3 815 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [0,1,0,0,0,0|1,0,1]=3 816 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,1,0,0,0,0|1,0,0]=2 817 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,1,0,0,0,0|1,0,0]=2 818 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,1,0,0,0,0|1,0,0]=2 819 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,1,0,0,0,0|1,1,1]=4 820 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,1,0,0,0,0|1,1,1]=4 821 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [0,1,0,0,0,0|1,1,0]=3 822 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [0,1,0,0,0,0|1,1,0]=3 823 B8R0.5 CCSC(C)CN(C)C 62a_100000210202_100020606517 [0,1,0,0,0,0|2,1,0]=4 824 B8R0.5 CCSC(C)CN(C)C 62a_100020606517_100000210202 [0,1,0,0,0,0|2,1,0]=4 825 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,1,0,0,0,0|0,1,1]=3 826 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,1,0,0,0,0|0,1,1]=3 827 B8R0.5 COCC(C)NC(C)C 2230a_100138425928_100000765312 [0,1,0,0,0,0|3,0,0]=4 828 B8R0.5 COCC(C)NC(C)C 34a_100138425928_100000765312 [0,1,0,0,0,0|3,0,0]=4 829 B8R0.5 COCC(C)OC(C)C 34a_100000212225_100000765312 [0,1,0,0,0,0|2,0,0]=3 830 B8R0.5 COCC(C)SC(C)C 62a_100000210206_100000765312 [0,1,0,0,0,0|2,1,0]=4 831 B8R0.5 COCC(C)SC(C)C 62a_100000765312_100000210206 [0,1,0,0,0,0|2,1,0]=4 832 B8R0.5 COC[C@@H](C)NC(C)C 2230a_100000764878_100000210206 [0,1,0,0,0,0|3,0,0]=4 833 B8R0.5 COC[C@@H](C)OC(C)C 34a_100011934205_100000210206 [0,1,0,0,0,0|2,0,0]=3 834 B8R0.22 C#CC(CCC)OCC 34a_200011217317_100000210202 [0,1,0,0,0,0|1,0,1]=3 835 B8R0.22 C#CC(CCC)OCC 7a_200011217317_100000210202 [0,1,0,0,0,0|1,0,1]=3 836 B8R0.22 C#CC(CCC)OCF 34a_200011217317_100015361967 [0,1,0,0,0,0|2,0,1]=4 837 B8R0.22 C#CC(CCC)OCF 7a_200011217317_100015361967 [0,1,0,0,0,0|2,0,1]=4 838 B8R0.22 C#CCC(CC)OCC 34a_200011217983_100000210202 [0,1,0,0,0,0|1,0,2]=4 839 B8R0.22 C#CCC(CC)OCC 7a_200011217983_100000210202 [0,1,0,0,0,0|1,0,2]=4 840 B8R0.22 C/C=C/C(CCC)OC 34a_200016264281_200000210301 [0,1,0,0,0,0|2,0,1]=4 841 B8R0.22 C/C=C/C(CCC)OC 7a_200016264281_200000210301 [0,1,0,0,0,0|2,0,1]=4 842 B8R0.22 C/C=C/C(CCC)O[13CH3] 34a_200016264281_200025704644 [0,1,0,0,0,0|2,0,1]=4 843 B8R0.22 C/C=C/C(CCC)O[13CH3] 7a_200016264281_200025704644 [0,1,0,0,0,0|2,0,1]=4 844 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [0,1,0,0,0,0|1,0,1]=3 845 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [0,1,0,0,0,0|1,0,1]=3 846 B8R0.22 C=CC(CCC)OCF 34a_100011216692_100015361967 [0,1,0,0,0,0|2,0,1]=4 847 B8R0.22 C=CC(CCC)OCF 7a_100011216692_100015361967 [0,1,0,0,0,0|2,0,1]=4 848 B8R0.22 CC#CC(CC)OCC 34a_200011219922_100000210202 [0,1,0,0,0,0|1,0,1]=3 849 B8R0.22 CC#CC(CC)OCC 7a_200011219922_100000210202 [0,1,0,0,0,0|1,0,1]=3 850 B8R0.22 CC#CC(CC)OCF 34a_200011219922_100015361967 [0,1,0,0,0,0|2,0,1]=4 851 B8R0.22 CC#CC(CC)OCF 7a_200011219922_100015361967 [0,1,0,0,0,0|2,0,1]=4 852 B8R0.22 CCC(COC)OCF 7a_200011214946_100015361967 [0,1,0,0,0,0|3,0,0]=4 853 B8R0.22 CCCC(C#N)OCC 34a_100000686963_100000210202 [0,1,0,0,0,0|1,0,1]=3 854 B8R0.22 CCCC(C#N)OCC 7a_100000686963_100000210202 [0,1,0,0,0,0|1,0,1]=3 855 B8R0.22 CCCC(C#N)OCF 34a_100000686963_100015361967 [0,1,0,0,0,0|2,0,1]=4 856 B8R0.22 CCCC(C#N)OCF 7a_100000686963_100015361967 [0,1,0,0,0,0|2,0,1]=4 857 B8R0.22 CCCC(CC)NCC 2230a_100000747048_100000210202 [0,1,0,0,0,0|2,0,0]=3 858 B8R0.22 CCCC(CC)NCC 270004a_100015525214_100000687865 [0,1,0,0,0,0|2,0,0]=3 859 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [0,1,0,0,0,0|1,0,0]=2 860 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [0,1,0,0,0,0|1,0,0]=2 861 B8R0.22 CCCC(CC)OCF 34a_100000687864_100015361967 [0,1,0,0,0,0|2,0,0]=3 862 B8R0.22 CCCC(CC)OCF 7a_100000687864_100015361967 [0,1,0,0,0,0|2,0,0]=3 863 B8R0.22 CCCC(CC)SCC 62a_100000210202_100011219200 [0,1,0,0,0,0|1,1,0]=3 864 B8R0.22 CCCC(CC)SCC 62a_100011219200_100000210202 [0,1,0,0,0,0|1,1,0]=3 865 B8R0.22 CCCC(CC)SCF 62a_100011219200_100015361967 [0,1,0,0,0,0|2,1,0]=4 866 B8R0.22 CCCC(CC)SCF 62a_100015361967_100011219200 [0,1,0,0,0,0|2,1,0]=4 867 B8R0.22 CCCC(CCC)NC 2230a_100011207992_200000210301 [0,1,0,0,0,0|2,0,0]=3 868 B8R0.22 CCCC(CCC)NC 270004a_106832991635_100000210088 [0,1,0,0,0,0|2,0,0]=3 869 B8R0.22 CCCC(CCC)NC 34a_100011207992_200000210301 [0,1,0,0,0,0|2,0,0]=3 870 B8R0.22 CCCC(CCC)NC 34a_100102657272_200011218217 [0,1,0,0,0,0|2,0,0]=3 871 B8R0.22 CCCC(CCC)NC 7a_106832991635_200011218217 [0,1,0,0,0,0|2,0,0]=3 872 B8R0.22 CCCC(CCC)N[13CH3] 2230a_100011207992_200025704644 [0,1,0,0,0,0|2,0,0]=3 873 B8R0.22 CCCC(CCC)N[13CH3] 34a_100011207992_200025704644 [0,1,0,0,0,0|2,0,0]=3 874 B8R0.22 CCCC(CCC)OC 34a_100138415774_200011218217 [0,1,0,0,0,0|2,0,0]=3 875 B8R0.22 CCCC(CCC)OC 34a_200011218534_200000210301 [0,1,0,0,0,0|2,0,0]=3 876 B8R0.22 CCCC(CCC)OC 7a_200011218534_200000210301 [0,1,0,0,0,0|2,0,0]=3 877 B8R0.22 CCCC(CCC)O[13CH3] 34a_200011218534_200025704644 [0,1,0,0,0,0|2,0,0]=3 878 B8R0.22 CCCC(CCC)O[13CH3] 7a_200011218534_200025704644 [0,1,0,0,0,0|2,0,0]=3 879 B8R0.22 CCCC(CCC)SC 62a_200000210301_200011218217 [0,1,0,0,0,0|2,0,0]=3 880 B8R0.22 CCCC(CCC)SC 62a_200011218217_200000210301 [0,1,0,0,0,0|2,0,0]=3 881 B8R0.22 CCCC(CCC)S[13CH3] 62a_200011218217_200025704644 [0,1,0,0,0,0|2,0,0]=3 882 B8R0.22 CCCC(CCC)S[13CH3] 62a_200025704644_200011218217 [0,1,0,0,0,0|2,0,0]=3 883 B8R0.22 CCCN(CC)CCC 2230a_100000210455_100000210202 [0,1,0,0,0,0|3,0,0]=4 884 B8R0.22 CCCN(CC)CCC 2230a_100000226822_100000210303 [0,1,0,0,0,0|3,0,0]=4 885 B8R0.22 CCCN(CC)CCC 269982a_100000210455_100000204670 [0,1,0,0,0,0|3,0,0]=4 886 B8R0.22 CCCN(CC)CCC 269982a_100000226822_100000210303 [0,1,0,0,0,0|3,0,0]=4 887 B8R0.22 CCCN(CF)CCC 269982a_100000210455_100015361967 [0,1,0,0,0,0|3,0,0]=4 888 B8R0.22 CCC[C@@H](CCO)NC 2230a_100015193777_200000210301 [0,1,0,0,0,0|3,0,0]=4 889 B8R0.22 CCC[C@@H](CCO)NC 34a_100015193777_200000210301 [0,1,0,0,0,0|3,0,0]=4 890 B8R0.22 CCC[C@@H](CCO)N[13CH3] 2230a_100015193777_200025704644 [0,1,0,0,0,0|3,0,0]=4 891 B8R0.22 CCC[C@@H](CCO)N[13CH3] 34a_100015193777_200025704644 [0,1,0,0,0,0|3,0,0]=4 892 B8R0.22 CCC[C@@H](CO)NCC 2230a_100000732646_100000210202 [0,1,0,0,0,0|2,0,0]=3 893 B8R0.22 CCC[C@@H](CO)NCC 34a_100000732646_100000210202 [0,1,0,0,0,0|2,0,0]=3 894 B8R0.22 CCC[C@@H](CO)NCF 34a_100000732646_100015361967 [0,1,0,0,0,0|3,0,0]=4 895 B8R0.22 CCNC(CC)COC 2230a_100000757820_100000210202 [0,1,0,0,0,0|3,0,0]=4 896 B8R0.22 CCNC(CC)COC 270004a_100015525214_100000757811 [0,1,0,0,0,0|3,0,0]=4 897 B8R0.22 CCNC(CO)COC 2230a_100000724102_100000210202 [0,1,0,0,0,0|3,0,0]=4 898 B8R0.22 CCNC(CO)COC 34a_100000724102_100000210202 [0,1,0,0,0,0|3,0,0]=4 899 B8R0.22 CCOC(CC)CNC 2230a_100015183923_200000210301 [0,1,0,0,0,0|2,0,0]=3 900 B8R0.22 CCOC(CC)CNC 34a_100015183923_200000210301 [0,1,0,0,0,0|2,0,0]=3 901 B8R0.22 CCOC(CC)CN[13CH3] 2230a_100015183923_200025704644 [0,1,0,0,0,0|2,0,0]=3 902 B8R0.22 CCOC(CC)CN[13CH3] 34a_100015183923_200025704644 [0,1,0,0,0,0|2,0,0]=3 903 B8R0.22 CCOC(CC)COC 7a_200011214946_100000210202 [0,1,0,0,0,0|2,0,0]=3 904 B8R0.22 CCOC(CCl)COC 34a_100011215053_100000210202 [0,1,0,0,0,0|2,0,0]=3 905 B8R0.22 CCOC(CN)COC 34a_100000756049_100000210202 [0,1,0,0,0,0|2,0,0]=3 906 B8R0.22 COCC(CCl)OCF 34a_100011215053_100015361967 [0,1,0,0,0,0|3,0,0]=4 907 B8R0.22 COCC(CN)OCF 34a_100000756049_100015361967 [0,1,0,0,0,0|3,0,0]=4 908 B8R0.30 C=CCC(C)(C)OCC 7a_100011995686_100000210202 [0,1,0,0,0,0|1,0,2]=4 909 B8R0.30 CC(C)(CCBr)OCF 7a_100000702414_100015361967 [0,1,0,0,0,0|3,0,0]=4 910 B8R0.30 CCCC(C)(C)COC 7a_100011995695_200000210301 [0,1,0,0,0,0|3,0,0]=4 911 B8R0.30 CCCC(C)(C)CO[13CH3] 7a_100011995695_200025704644 [0,1,0,0,0,0|3,0,0]=4 912 B8R0.30 CCCC(C)(C)OCC 7a_100000748436_100000210202 [0,1,0,0,0,0|1,0,0]=2 913 B8R0.30 CCCC(C)(C)OCF 7a_100000748436_100015361967 [0,1,0,0,0,0|2,0,0]=3 914 B8R0.30 CCNC(C)(C)COC 2230a_100000752728_100000210202 [0,1,0,0,0,0|3,0,0]=4 915 B8R0.30 CCNC(C)(C)COC 7a_100000747347_200000210301 [0,1,0,0,0,0|3,0,0]=4 916 B8R0.30 CCNC(C)(C)CO[13CH3] 7a_100000747347_200025704644 [0,1,0,0,0,0|3,0,0]=4 917 B8R0.30 CCNC(C)(C)CSC 2230a_100000759623_100000210202 [0,1,0,0,0,0|3,0,0]=4 918 B8R0.30 CCNC(C)(C)CSC 7a_100000759623_100000210202 [0,1,0,0,0,0|3,0,0]=4 919 B8R0.30 CCOC(C)(C)CCBr 7a_100000702414_100000210202 [0,1,0,0,0,0|2,0,0]=3 920 B8R0.30 CCO[Si](C)(C)CSC 62a_200000065227_200000210301 [0,1,0,0,0,0|2,1,0]=4 921 B8R0.30 CCO[Si](C)(C)CSC 62a_200000210301_200000065227 [0,1,0,0,0,0|2,1,0]=4 922 B8R0.30 CCO[Si](C)(C)CS[13CH3] 62a_200000065227_200025704644 [0,1,0,0,0,0|2,1,0]=4 923 B8R0.30 CCO[Si](C)(C)CS[13CH3] 62a_200025704644_200000065227 [0,1,0,0,0,0|2,1,0]=4 924 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [0,0,0,1,0,0|2,0,0]=3 925 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [0,0,0,1,0,0|2,0,0]=3 926 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [0,0,0,1,0,0|2,0,0]=3 927 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [0,0,0,1,0,0|2,0,0]=3 928 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [0,0,0,1,0,0|2,0,0]=3 929 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [0,0,0,1,0,0|2,0,0]=3 930 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [0,0,0,1,0,0|3,0,0]=4 931 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [0,0,0,1,0,0|3,0,0]=4 932 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [0,0,0,1,0,0|3,0,0]=4 933 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [0,0,0,1,0,0|3,0,0]=4 934 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [0,0,0,1,0,0|3,0,0]=4 935 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [0,0,0,1,0,0|3,0,0]=4 936 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [0,0,0,1,0,0|3,0,0]=4 937 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [0,0,0,1,0,0|3,0,0]=4 938 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [0,0,0,1,0,0|3,0,0]=4 939 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [0,0,0,1,0,0|3,0,0]=4 940 B8R1.6 CCCN1CC(C1)C 2230a_100000702820_100000210303 [0,0,0,1,0,0|3,0,0]=4 941 B8R1.6 CCCN1CC(C1)C 269982a_100000702820_100000210303 [0,0,0,1,0,0|3,0,0]=4 942 B8R1.6 CCCN1CC(C1)C 34a_100000702820_100000210303 [0,0,0,1,0,0|3,0,0]=4 943 B8R1.6 CCNC1CC(C1)F 2230a_100016993743_100000210202 [0,0,0,1,0,0|3,0,0]=4 944 B8R1.6 CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210202 [0,0,0,1,0,0|3,0,0]=4 945 B8R1.6 CCOC1CN(C1)C 269982a_100000732654_200000210301 [0,0,0,1,0,0|2,0,0]=3 946 B8R1.6 CCOC1CN(C1)C 34a_100000732654_200000210301 [0,0,0,1,0,0|2,0,0]=3 947 B8R1.6 CCOC1CN(C1)[13CH3] 269982a_100000732654_200025704644 [0,0,0,1,0,0|2,0,0]=3 948 B8R1.6 CCOC1CN(C1)[13CH3] 34a_100000732654_200025704644 [0,0,0,1,0,0|2,0,0]=3 949 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [0,0,0,1,0,0|3,0,0]=4 950 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [0,0,0,1,0,0|3,0,0]=4 951 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [0,0,0,1,0,0|2,0,0]=3 952 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [0,0,0,1,0,0|2,0,0]=3 953 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [0,0,0,1,0,0|2,0,0]=3 954 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [0,0,0,1,0,0|2,0,0]=3 955 B8R1.8 CCNC1CCOC1 2230a_100015525214_100000731011 [0,0,0,1,0,0|3,0,0]=4 956 B8R1.8 CCNC1CCOC1 270004a_100015525214_100000752484 [0,0,0,1,0,0|3,0,0]=4 957 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [0,0,0,1,0,0|3,0,0]=4 958 B8R1.8 CCN[C@@H]1CCOC1 2230a_200015188469_100000210202 [0,0,0,1,0,0|3,0,0]=4 959 B8R1.8 CCN[C@H]1CCOC1 2230a_100015188467_100000210202 [0,0,0,1,0,0|3,0,0]=4 960 B8R1.8 CCN[C@H]1CCOC1 34a_100015188467_100000210202 [0,0,0,1,0,0|3,0,0]=4 961 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [0,0,0,1,0,0|1,0,0]=2 962 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [0,0,0,1,0,0|1,0,0]=2 963 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [0,0,0,1,0,0|1,0,0]=2 964 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [0,0,0,1,0,0|0,0,0]=1 965 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [0,0,0,1,0,0|2,0,0]=3 966 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [0,0,0,1,0,0|2,0,0]=3 967 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [0,0,0,1,0,0|2,0,0]=3 968 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [0,0,0,1,0,0|1,1,0]=3 969 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [0,0,0,1,0,0|1,1,0]=3 970 B8R1.8 CCSC1CCOC1 62a_100000210202_100000690089 [0,0,0,1,0,0|2,1,0]=4 971 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [0,0,0,1,0,0|3,0,0]=4 972 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [0,0,0,1,0,0|3,0,0]=4 973 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [0,0,0,1,0,0|3,0,0]=4 974 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [0,0,0,1,0,0|3,0,0]=4 975 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [0,0,0,1,0,0|3,0,0]=4 976 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [0,0,0,1,0,0|3,0,0]=4 977 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [0,0,0,1,0,0|2,0,0]=3 978 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [0,0,0,1,0,0|2,0,0]=3 979 B8R1.8 CNCC1OCCO1 2230a_100000036311_200000210301 [0,0,0,1,0,0|3,0,0]=4 980 B8R1.8 CNCC1OCCO1 2230a_106832991635_100000755774 [0,0,0,1,0,0|3,0,0]=4 981 B8R1.8 CNCC1OCCO1 34a_100000036311_200000210301 [0,0,0,1,0,0|3,0,0]=4 982 B8R1.8 CNCC1OCCO1 34a_100102657272_100000755774 [0,0,0,1,0,0|3,0,0]=4 983 B8R1.8 CNCC1OCCO1 7a_106832991635_100000755774 [0,0,0,1,0,0|3,0,0]=4 984 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [0,0,0,1,0,0|2,0,0]=3 985 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [0,0,0,1,0,0|2,0,0]=3 986 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [0,0,0,1,0,0|3,0,0]=4 987 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [0,0,0,1,0,0|3,0,0]=4 988 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [0,0,0,1,0,0|3,0,0]=4 989 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [0,0,0,1,0,0|2,0,0]=3 990 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [0,0,0,1,0,0|2,0,0]=3 991 B8R1.8 COCC1COCO1 34a_100011216627_200000210301 [0,0,0,1,0,0|3,0,0]=4 992 B8R1.8 COCC1OCCO1 34a_100000087154_200000210301 [0,0,0,1,0,0|3,0,0]=4 993 B8R1.8 COCC1OCCO1 34a_100138415774_100000755774 [0,0,0,1,0,0|3,0,0]=4 994 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [0,0,0,1,0,0|3,0,0]=4 995 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [0,0,0,1,0,0|3,0,0]=4 996 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [0,0,0,1,0,0|3,0,0]=4 997 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [0,0,0,1,0,0|2,0,0]=3 998 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [0,0,0,1,0,0|2,0,0]=3 999 B8R1.8 CSCC1OCCO1 62a_100000755774_200000210301 [0,0,0,1,0,0|3,0,0]=4 1000 B8R1.8 CSCC1OCCO1 62a_200000210301_100000755774 [0,0,0,1,0,0|3,0,0]=4 1001 B8R1.8 FCNC1CCCC1 34a_100000211070_100015361967 [0,0,0,1,0,0|3,0,0]=4 1002 B8R1.8 FCOC1CCCC1 34a_100000210269_100015361967 [0,0,0,1,0,0|2,0,0]=3 1003 B8R1.8 FCOC1CCCC1 7a_100000210269_100015361967 [0,0,0,1,0,0|2,0,0]=3 1004 B8R1.8 FCOC1CCCO1 34a_100000085407_100015361967 [0,0,0,1,0,0|1,0,0]=2 1005 B8R1.8 FCOC1CCSC1 7a_100011232664_100015361967 [0,0,0,1,0,0|3,0,0]=4 1006 B8R1.8 FCO[C@H]1CCOC1 34a_100000717292_100015361967 [0,0,0,1,0,0|3,0,0]=4 1007 B8R1.8 FCSC1CCCC1 62a_100011217020_100015361967 [0,0,0,1,0,0|2,1,0]=4 1008 B8R1.8 FCSC1CCCC1 62a_100015361967_100000179811 [0,0,0,1,0,0|2,1,0]=4 1009 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [0,0,0,1,0,0|3,0,0]=4 1010 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [0,0,0,1,0,0|3,0,0]=4 1011 B8R1.8 [13CH3]NCC1OCCO1 2230a_100000036311_200025704644 [0,0,0,1,0,0|3,0,0]=4 1012 B8R1.8 [13CH3]NCC1OCCO1 34a_100000036311_200025704644 [0,0,0,1,0,0|3,0,0]=4 1013 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [0,0,0,1,0,0|2,0,0]=3 1014 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [0,0,0,1,0,0|2,0,0]=3 1015 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [0,0,0,1,0,0|3,0,0]=4 1016 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [0,0,0,1,0,0|3,0,0]=4 1017 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [0,0,0,1,0,0|2,0,0]=3 1018 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [0,0,0,1,0,0|2,0,0]=3 1019 B8R1.8 [13CH3]OCC1COCO1 34a_100011216627_200025704644 [0,0,0,1,0,0|3,0,0]=4 1020 B8R1.8 [13CH3]OCC1OCCO1 34a_100000087154_200025704644 [0,0,0,1,0,0|3,0,0]=4 1021 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [0,0,0,1,0,0|3,0,0]=4 1022 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [0,0,0,1,0,0|3,0,0]=4 1023 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [0,0,0,1,0,0|3,0,0]=4 1024 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [0,0,0,1,0,0|2,0,0]=3 1025 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [0,0,0,1,0,0|2,0,0]=3 1026 B8R1.8 [13CH3]SCC1OCCO1 62a_100000755774_200025704644 [0,0,0,1,0,0|3,0,0]=4 1027 B8R1.8 [13CH3]SCC1OCCO1 62a_200025704644_100000755774 [0,0,0,1,0,0|3,0,0]=4 1028 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [0,0,0,1,0,0|3,0,0]=4 1029 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [0,0,0,1,0,0|3,0,0]=4 1030 B8R1.11 CC1SCCN1CF 269982a_200011216479_100015361967 [0,0,0,1,0,0|2,1,0]=4 1031 B8R1.11 CC1SCCN1CF 34a_200011216479_100015361967 [0,0,0,1,0,0|2,1,0]=4 1032 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [0,0,0,1,0,0|3,0,0]=4 1033 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [0,0,0,1,0,0|3,0,0]=4 1034 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [0,0,0,1,0,0|3,0,0]=4 1035 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [0,0,0,1,0,0|3,0,0]=4 1036 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [0,0,0,1,0,0|3,0,0]=4 1037 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [0,0,0,1,0,0|3,0,0]=4 1038 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [0,0,0,1,0,0|2,0,0]=3 1039 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [0,0,0,1,0,0|2,0,0]=3 1040 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [0,0,0,1,0,0|2,0,0]=3 1041 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [0,0,0,1,0,0|2,0,0]=3 1042 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [0,0,0,1,0,0|2,0,0]=3 1043 B8R1.11 CCN1CCSC1C 2230a_200011216479_100000210202 [0,0,0,1,0,0|1,1,0]=3 1044 B8R1.11 CCN1CCSC1C 269982a_200011216479_100000204670 [0,0,0,1,0,0|1,1,0]=3 1045 B8R1.11 CCN1CCSC1C 34a_200011216479_100000210202 [0,0,0,1,0,0|1,1,0]=3 1046 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [0,0,0,1,0,0|3,0,0]=4 1047 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [0,0,0,1,0,0|2,0,0]=3 1048 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [0,0,0,1,0,0|3,0,0]=4 1049 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [0,0,0,1,0,0|3,0,0]=4 1050 B8R1.11 C[C@@H]1CCCN1CF 269982a_100015189458_100015361967 [0,0,0,1,0,0|3,0,0]=4 1051 B8R1.11 C[C@@H]1CCCN1CF 34a_100015189458_100015361967 [0,0,0,1,0,0|3,0,0]=4 1052 B8R1.11 C[C@H]1CCCN1CF 269982a_100020605311_100015361967 [0,0,0,1,0,0|3,0,0]=4 1053 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [0,0,0,1,0,0|3,0,0]=4 1054 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [0,0,0,1,0,0|3,0,0]=4 1055 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [0,0,0,1,0,0|3,0,0]=4 1056 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [0,0,0,1,0,0|3,0,0]=4 1057 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [0,0,0,1,0,0|3,0,0]=4 1058 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [0,0,0,1,0,0|3,0,0]=4 1059 B8R1.37 CC(NCF)C1CC1 34a_100000700016_100015361967 [0,0,0,1,0,0|3,0,0]=4 1060 B8R1.37 CC(OCF)C1CC1 34a_100000744524_100015361967 [0,0,0,1,0,0|2,0,0]=3 1061 B8R1.37 CC(OCF)C1CC1 7a_100000744524_100015361967 [0,0,0,1,0,0|2,0,0]=3 1062 B8R1.37 CCCN(C)C1CC1 2230a_100000226674_100000210303 [0,0,0,1,0,0|3,0,0]=4 1063 B8R1.37 CCCN(C)C1CC1 2230a_100000765834_200000210301 [0,0,0,1,0,0|3,0,0]=4 1064 B8R1.37 CCCN(C)C1CC1 269982a_100000226674_100000210303 [0,0,0,1,0,0|3,0,0]=4 1065 B8R1.37 CCCN(C)C1CC1 269982a_100000747261_100000211595 [0,0,0,1,0,0|3,0,0]=4 1066 B8R1.37 CCCN(C)C1CC1 269982a_100000765834_200000210301 [0,0,0,1,0,0|3,0,0]=4 1067 B8R1.37 CCCN([13CH3])C1CC1 2230a_100000765834_200025704644 [0,0,0,1,0,0|3,0,0]=4 1068 B8R1.37 CCCN([13CH3])C1CC1 269982a_100000765834_200025704644 [0,0,0,1,0,0|3,0,0]=4 1069 B8R1.37 CCNC(C)C1CC1 2230a_100000700016_100000210202 [0,0,0,1,0,0|2,0,0]=3 1070 B8R1.37 CCNC(C)C1CC1 269862a_100015525214_100000210639 [0,0,0,1,0,0|2,0,0]=3 1071 B8R1.37 CCNC(C)C1CC1 34a_100000700016_100000210202 [0,0,0,1,0,0|2,0,0]=3 1072 B8R1.37 CCNC(C)C1CO1 270004a_100015525214_100000031964 [0,0,0,1,0,0|3,0,0]=4 1073 B8R1.37 CCOC(C)C1CC1 34a_100000744524_100000210202 [0,0,0,1,0,0|1,0,0]=2 1074 B8R1.37 CCOC(C)C1CC1 7a_100000744524_100000210202 [0,0,0,1,0,0|1,0,0]=2 1075 B8R1.66 CC1(CCC1)CN[13CH3] 2230a_100000706607_200025704644 [0,0,0,1,0,0|3,0,0]=4 1076 B8R1.66 CC1(CCC1)CS[13CH3] 62a_100000726658_200025704644 [0,0,0,1,0,0|3,0,0]=4 1077 B8R1.66 CC1(CCC1)CS[13CH3] 62a_200025704644_100000726658 [0,0,0,1,0,0|3,0,0]=4 1078 B8R1.66 CC1(CCC1)NCF 34a_100000692455_100015361967 [0,0,0,1,0,0|3,0,0]=4 1079 B8R1.66 CC1(CCC1)OCF 34a_100000759064_100015361967 [0,0,0,1,0,0|2,0,0]=3 1080 B8R1.66 CC1(CCC1)OCF 7a_100000759064_100015361967 [0,0,0,1,0,0|2,0,0]=3 1081 B8R1.66 CC1(CSC1)OCF 7a_100016018533_100015361967 [0,0,0,1,0,0|3,0,0]=4 1082 B8R1.66 CCNC1(CCC1)C 2230a_100000692455_100000210202 [0,0,0,1,0,0|2,0,0]=3 1083 B8R1.66 CCNC1(CCC1)C 34a_100000692455_100000210202 [0,0,0,1,0,0|2,0,0]=3 1084 B8R1.66 CCNC1(COC1)C 2230a_100000732644_100000210202 [0,0,0,1,0,0|3,0,0]=4 1085 B8R1.66 CCOC1(CCC1)C 34a_100000759064_100000210202 [0,0,0,1,0,0|1,0,0]=2 1086 B8R1.66 CCOC1(CCC1)C 7a_100000759064_100000210202 [0,0,0,1,0,0|1,0,0]=2 1087 B8R1.66 CCOC1(CSC1)C 7a_100016018533_100000210202 [0,0,0,1,0,0|2,0,0]=3 1088 B8R1.66 CNCC1(CCC1)C 2230a_100000706607_200000210301 [0,0,0,1,0,0|3,0,0]=4 1089 B8R1.66 CNCC1(CCC1)C 2230a_106832991635_100000726658 [0,0,0,1,0,0|3,0,0]=4 1090 B8R1.66 CNCC1(CCC1)C 34a_100102657272_100000726658 [0,0,0,1,0,0|3,0,0]=4 1091 B8R1.66 CNCC1(CCC1)C 7a_106832991635_100000726658 [0,0,0,1,0,0|3,0,0]=4 1092 B8R1.66 COCC1(CCC1)C 34a_100138415774_100000726658 [0,0,0,1,0,0|3,0,0]=4 1093 B8R1.66 CSCC1(CCC1)C 62a_100000726658_200000210301 [0,0,0,1,0,0|3,0,0]=4 1094 B8R1.66 CSCC1(CCC1)C 62a_200000210301_100000726658 [0,0,0,1,0,0|3,0,0]=4 1095 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [2,0,0,0,0,0|2,0,0]=4 1096 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [2,0,0,0,0,0|2,0,0]=4 1097 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [2,0,0,0,0,0|2,0,0]=4 1098 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [2,0,0,0,0,0|2,0,0]=4 1099 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [2,0,0,0,0,0|2,0,0]=4 1100 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [2,0,0,0,0,0|2,0,0]=4 1101 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [2,0,0,0,0,0|1,0,0]=3 1102 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [2,0,0,0,0,0|1,1,0]=4 1103 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [2,0,0,0,0,0|1,1,0]=4 1104 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [2,0,0,0,0,0|2,0,0]=4 1105 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [2,0,0,0,0,0|2,0,0]=4 1106 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [2,0,0,0,0,0|2,0,0]=4 1107 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [2,0,0,0,0,0|2,0,0]=4 1108 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [2,0,0,0,0,0|2,0,0]=4 1109 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [2,0,0,0,0,0|2,0,0]=4 1110 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [2,0,0,0,0,0|2,0,0]=4 1111 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [2,0,0,0,0,0|2,0,0]=4 1112 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [2,0,0,0,0,0|2,0,0]=4 1113 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [2,0,0,0,0,0|2,0,0]=4 1114 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [2,0,0,0,0,0|1,0,0]=3 1115 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [2,0,0,0,0,0|1,0,0]=3 1116 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [2,0,0,0,0,0|1,0,0]=3 1117 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [2,0,0,0,0,0|0,0,0]=2 1118 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [2,0,0,0,0,0|0,0,0]=2 1119 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [2,0,0,0,0,0|0,1,0]=3 1120 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [2,0,0,0,0,0|0,1,0]=3 1121 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [2,0,0,0,0,0|2,0,0]=4 1122 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [2,0,0,0,0,0|2,0,0]=4 1123 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [2,0,0,0,0,0|2,0,0]=4 1124 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [2,0,0,0,0,0|2,0,0]=4 1125 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [2,0,0,0,0,0|2,0,0]=4 1126 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [2,0,0,0,0,0|2,0,0]=4 1127 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [2,0,0,0,0,0|2,0,0]=4 1128 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [2,0,0,0,0,0|2,0,0]=4 1129 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [2,0,0,0,0,0|2,0,0]=4 1130 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [2,0,0,0,0,0|2,0,0]=4 1131 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [2,0,0,0,0,0|2,0,0]=4 1132 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [2,0,0,0,0,0|2,0,0]=4 1133 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [2,0,0,0,0,0|2,0,0]=4 1134 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [2,0,0,0,0,0|2,0,0]=4 1135 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [2,0,0,0,0,0|2,0,0]=4 1136 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [2,0,0,0,0,0|2,0,0]=4 1137 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [2,0,0,0,0,0|2,0,0]=4 1138 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [2,0,0,0,0,0|2,0,0]=4 1139 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [2,0,0,0,0,0|2,0,0]=4 1140 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [2,0,0,0,0,0|2,0,0]=4 1141 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [2,0,0,0,0,0|2,0,0]=4 1142 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [2,0,0,0,0,0|2,0,0]=4 1143 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [2,0,0,0,0,0|2,0,0]=4 1144 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [2,0,0,0,0,0|2,0,0]=4 1145 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [2,0,0,0,0,0|2,0,0]=4 1146 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [2,0,0,0,0,0|2,0,0]=4 1147 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [2,0,0,0,0,0|0,0,2]=4 1148 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [2,0,0,0,0,0|0,0,2]=4 1149 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [2,0,0,0,0,0|1,0,1]=4 1150 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [2,0,0,0,0,0|1,0,1]=4 1151 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [2,0,0,0,0,0|1,0,1]=4 1152 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|0,0,2]=4 1153 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|0,0,2]=4 1154 B5R0.2 CC#CCOC 34a_100000761923_200000210301 [2,0,0,0,0,0|1,0,1]=4 1155 B5R0.2 CC#CCOC 34a_100138415774_100000748600 [2,0,0,0,0,0|1,0,1]=4 1156 B5R0.2 CC#CCO[13CH3] 34a_100000761923_200025704644 [2,0,0,0,0,0|1,0,1]=4 1157 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [2,0,0,0,0,0|1,0,1]=4 1158 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|2,0,0]=4 1159 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|2,0,0]=4 1160 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|2,0,0]=4 1161 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|2,0,0]=4 1162 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|2,0,0]=4 1163 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|2,0,0]=4 1164 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|2,0,0]=4 1165 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|1,0,0]=3 1166 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|1,0,0]=3 1167 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|1,0,0]=3 1168 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|1,0,0]=3 1169 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|1,0,0]=3 1170 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|1,1,0]=4 1171 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|1,1,0]=4 1172 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|1,1,0]=4 1173 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|1,1,0]=4 1174 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [2,0,0,0,0,0|1,0,0]=3 1175 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|0,0,0]=2 1176 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|0,0,0]=2 1177 B5R0.2 CCCOCF 34a_100000210258_100015361967 [2,0,0,0,0,0|1,0,0]=3 1178 B5R0.2 CCCSCC 62a_100000210202_100000210303 [2,0,0,0,0,0|0,1,0]=3 1179 B5R0.2 CCCSCC 62a_100000210303_100000210202 [2,0,0,0,0,0|0,1,0]=3 1180 B5R0.2 CCCSCF 62a_100000210303_100015361967 [2,0,0,0,0,0|1,1,0]=4 1181 B5R0.2 CCCSCF 62a_100015361967_100000210303 [2,0,0,0,0,0|1,1,0]=4 1182 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [2,0,0,0,0,0|2,0,0]=4 1183 B5R0.2 CCNCCF 34a_100000724931_100000210202 [2,0,0,0,0,0|2,0,0]=4 1184 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [2,0,0,0,0,0|2,0,0]=4 1185 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [2,0,0,0,0,0|2,0,0]=4 1186 B5R0.2 CCNCCO 34a_100016990907_100000210202 [2,0,0,0,0,0|2,0,0]=4 1187 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [2,0,0,0,0,0|1,0,0]=3 1188 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [2,0,0,0,0,0|1,1,0]=4 1189 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|1,0,1]=4 1190 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [2,0,0,0,0,0|1,0,0]=3 1191 B5R0.2 CCOCCF 34a_100121572206_100011217306 [2,0,0,0,0,0|1,0,0]=3 1192 B5R0.2 CCOCCN 34a_100000210304_100000210202 [2,0,0,0,0,0|1,0,0]=3 1193 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|1,0,0]=3 1194 B5R0.2 CCOCSC 34a_100121572206_100011218213 [2,0,0,0,0,0|0,1,0]=3 1195 B5R0.2 CCOCSC 62a_100000739092_200000210301 [2,0,0,0,0,0|0,1,0]=3 1196 B5R0.2 CCOCSC 62a_200000210301_100000739092 [2,0,0,0,0,0|0,1,0]=3 1197 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [2,0,0,0,0,0|0,1,0]=3 1198 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [2,0,0,0,0,0|0,1,0]=3 1199 B5R0.2 CCSCCF 62a_100000210202_100011217306 [2,0,0,0,0,0|1,1,0]=4 1200 B5R0.2 CCSCCF 62a_100011217306_100000210202 [2,0,0,0,0,0|1,1,0]=4 1201 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|1,1,0]=4 1202 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|1,1,0]=4 1203 B5R0.2 CCSCOC 62a_100000210202_100000766300 [2,0,0,0,0,0|0,1,0]=3 1204 B5R0.2 CCSCOC 62a_100000766300_100000210202 [2,0,0,0,0,0|0,1,0]=3 1205 B5R0.2 CCSCSC 62a_100000210202_100011218213 [2,0,0,0,0,0|0,2,0]=4 1206 B5R0.2 CCSCSC 62a_100011218213_100000210202 [2,0,0,0,0,0|0,2,0]=4 1207 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [2,0,0,0,0,0|2,0,0]=4 1208 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [2,0,0,0,0,0|2,0,0]=4 1209 B5R0.2 CNCCOC 34a_100102657272_100011201679 [2,0,0,0,0,0|2,0,0]=4 1210 B5R0.2 CNCCOC 7a_106832991635_100000233755 [2,0,0,0,0,0|2,0,0]=4 1211 B5R0.2 COCCCBr 34a_100011217188_200000210301 [2,0,0,0,0,0|2,0,0]=4 1212 B5R0.2 COCCCCl 34a_100000230001_200000210301 [2,0,0,0,0,0|2,0,0]=4 1213 B5R0.2 COCCCF 34a_100000759539_200000210301 [2,0,0,0,0,0|2,0,0]=4 1214 B5R0.2 COCCCF 34a_100138415774_100011934791 [2,0,0,0,0,0|2,0,0]=4 1215 B5R0.2 COCCCN 34a_100000182051_200000210301 [2,0,0,0,0,0|2,0,0]=4 1216 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|2,0,0]=4 1217 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [2,0,0,0,0,0|2,0,0]=4 1218 B5R0.2 COCCOC 34a_100000210237_200000210301 [2,0,0,0,0,0|2,0,0]=4 1219 B5R0.2 COCCOC 34a_100138415774_100011201679 [2,0,0,0,0,0|2,0,0]=4 1220 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [2,0,0,0,0,0|2,0,0]=4 1221 B5R0.2 COCCSC 34a_100000230434_200000210301 [2,0,0,0,0,0|2,0,0]=4 1222 B5R0.2 COCCSC 34a_100138415774_100000212216 [2,0,0,0,0,0|2,0,0]=4 1223 B5R0.2 COCCSC 62a_100000233755_200000210301 [2,0,0,0,0,0|2,0,0]=4 1224 B5R0.2 COCCSC 62a_200000210301_100000233755 [2,0,0,0,0,0|2,0,0]=4 1225 B5R0.2 COCCSC 7a_100000230434_200000210301 [2,0,0,0,0,0|2,0,0]=4 1226 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [2,0,0,0,0,0|2,0,0]=4 1227 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [2,0,0,0,0,0|2,0,0]=4 1228 B5R0.2 COCSCF 62a_100000766300_100015361967 [2,0,0,0,0,0|1,1,0]=4 1229 B5R0.2 COCSCF 62a_100015361967_100000766300 [2,0,0,0,0,0|1,1,0]=4 1230 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [2,0,0,0,0,0|2,0,0]=4 1231 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [2,0,0,0,0,0|2,0,0]=4 1232 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [2,0,0,0,0,0|2,0,0]=4 1233 B5R0.2 NCCOCF 34a_100000210304_100015361967 [2,0,0,0,0,0|2,0,0]=4 1234 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [2,0,0,0,0,0|2,0,0]=4 1235 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [2,0,0,0,0,0|2,0,0]=4 1236 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [2,0,0,0,0,0|2,0,0]=4 1237 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [2,0,0,0,0,0|2,0,0]=4 1238 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [2,0,0,0,0,0|0,0,2]=4 1239 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [2,0,0,0,0,0|0,0,2]=4 1240 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [2,0,0,0,0,0|0,0,2]=4 1241 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [2,0,0,0,0,0|0,0,2]=4 1242 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [2,0,0,0,0,0|0,0,2]=4 1243 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [2,0,0,0,0,0|0,0,2]=4 1244 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [2,0,0,0,0,0|0,0,2]=4 1245 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [2,0,0,0,0,0|1,0,1]=4 1246 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [2,0,0,0,0,0|1,0,0]=3 1247 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [2,0,0,0,0,0|1,0,0]=3 1248 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [2,0,0,0,0,0|1,0,0]=3 1249 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [2,0,0,0,0,0|1,1,0]=4 1250 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [2,0,0,0,0,0|1,0,1]=4 1251 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [2,0,0,0,0,0|1,0,0]=3 1252 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [2,0,0,0,0,0|1,0,0]=3 1253 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [2,0,0,0,0,0|1,0,0]=3 1254 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [2,0,0,0,0,0|1,0,0]=3 1255 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [2,0,0,0,0,0|1,0,0]=3 1256 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [2,0,0,0,0,0|0,0,0]=2 1257 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [2,0,0,0,0,0|0,0,0]=2 1258 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [2,0,0,0,0,0|0,0,0]=2 1259 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [2,0,0,0,0,0|0,1,0]=3 1260 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [2,0,0,0,0,0|0,1,0]=3 1261 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [2,0,0,0,0,0|0,1,0]=3 1262 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [2,0,0,0,0,0|0,1,0]=3 1263 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [2,0,0,0,0,0|1,0,0]=3 1264 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [2,0,0,0,0,0|1,0,0]=3 1265 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [2,0,0,0,0,0|1,0,0]=3 1266 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [2,0,0,0,0,0|1,0,0]=3 1267 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [2,0,0,0,0,0|1,0,0]=3 1268 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [2,0,0,0,0,0|2,0,0]=4 1269 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [2,0,0,0,0,0|1,0,0]=3 1270 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [2,0,0,0,0,0|1,0,0]=3 1271 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [2,0,0,0,0,0|1,0,0]=3 1272 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [2,0,0,0,0,0|2,0,0]=4 1273 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [2,0,0,0,0,0|2,0,0]=4 1274 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [2,0,0,0,0,0|2,0,0]=4 1275 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [2,0,0,0,0,0|2,0,0]=4 1276 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [2,0,0,0,0,0|1,0,1]=4 1277 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [2,0,0,0,0,0|1,0,0]=3 1278 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [2,0,0,0,0,0|1,0,0]=3 1279 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [2,0,0,0,0,0|1,0,0]=3 1280 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [2,0,0,0,0,0|1,0,0]=3 1281 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [2,0,0,0,0,0|0,1,0]=3 1282 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [2,0,0,0,0,0|0,1,0]=3 1283 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [2,0,0,0,0,0|0,1,0]=3 1284 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [2,0,0,0,0,0|0,1,0]=3 1285 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [2,0,0,0,0,0|1,1,0]=4 1286 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [2,0,0,0,0,0|1,1,0]=4 1287 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [2,0,0,0,0,0|1,1,0]=4 1288 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [2,0,0,0,0,0|2,0,0]=4 1289 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [2,0,0,0,0,0|1,1,0]=4 1290 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [2,0,0,0,0,0|1,1,0]=4 1291 B7R0.2 C#CC(C)OC(C)C 34a_100000212225_200000035995 [1,1,0,0,0,0|0,0,2]=4 1292 B7R0.2 C#C[C@@H](C)OC(C)C 34a_100009815206_100000210206 [1,1,0,0,0,0|0,0,2]=4 1293 B7R0.2 C#C[C@@H](C)OC(C)C 7a_100009815206_100000210206 [1,1,0,0,0,0|0,0,2]=4 1294 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [1,1,0,0,0,0|0,0,2]=4 1295 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [1,1,0,0,0,0|1,0,1]=4 1296 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [1,1,0,0,0,0|0,1,1]=4 1297 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [1,1,0,0,0,0|0,1,1]=4 1298 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [1,1,0,0,0,0|2,0,0]=4 1299 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [1,1,0,0,0,0|1,0,0]=3 1300 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [1,1,0,0,0,0|1,0,0]=3 1301 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [1,1,0,0,0,0|1,1,0]=4 1302 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [1,1,0,0,0,0|1,1,0]=4 1303 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [1,1,0,0,0,0|2,0,0]=4 1304 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [1,1,0,0,0,0|2,0,0]=4 1305 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [1,1,0,0,0,0|2,0,0]=4 1306 B7R0.2 CC(C)OC(C)C#N 34a_100011218135_100000210206 [1,1,0,0,0,0|1,0,1]=4 1307 B7R0.2 CC(C)OC(C)CF 34a_100016041109_100000210206 [1,1,0,0,0,0|1,0,0]=3 1308 B7R0.2 CC(C)OC(C)CF 7a_100016041109_100000210206 [1,1,0,0,0,0|1,0,0]=3 1309 B7R0.2 CC(C)OC(C)CN 34a_100000210904_100000210206 [1,1,0,0,0,0|1,0,0]=3 1310 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [1,1,0,0,0,0|1,0,0]=3 1311 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [1,1,0,0,0,0|1,1,0]=4 1312 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [1,1,0,0,0,0|1,1,0]=4 1313 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [1,1,0,0,0,0|1,1,0]=4 1314 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,1,0,0,0,0|1,0,1]=4 1315 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,1,0,0,0,0|1,0,1]=4 1316 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,1,0,0,0,0|1,0,1]=4 1317 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [1,1,0,0,0,0|2,0,0]=4 1318 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [1,1,0,0,0,0|2,0,0]=4 1319 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [1,1,0,0,0,0|2,0,0]=4 1320 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [1,1,0,0,0,0|2,0,0]=4 1321 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [1,1,0,0,0,0|2,0,0]=4 1322 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [1,1,0,0,0,0|2,0,0]=4 1323 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [1,1,0,0,0,0|2,0,0]=4 1324 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [1,1,0,0,0,0|1,0,1]=4 1325 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [1,1,0,0,0,0|1,0,1]=4 1326 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [1,1,0,0,0,0|1,0,1]=4 1327 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [1,1,0,0,0,0|1,0,1]=4 1328 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [1,1,0,0,0,0|1,0,0]=3 1329 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [1,1,0,0,0,0|1,0,0]=3 1330 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [1,1,0,0,0,0|1,0,0]=3 1331 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [1,1,0,0,0,0|0,0,0]=2 1332 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [1,1,0,0,0,0|0,0,0]=2 1333 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [1,1,0,0,0,0|0,1,0]=3 1334 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [1,1,0,0,0,0|0,1,0]=3 1335 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [1,1,0,0,0,0|2,0,0]=4 1336 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [1,1,0,0,0,0|2,0,0]=4 1337 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [1,1,0,0,0,0|2,0,0]=4 1338 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [1,1,0,0,0,0|2,0,0]=4 1339 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [1,1,0,0,0,0|2,0,0]=4 1340 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [1,1,0,0,0,0|2,0,0]=4 1341 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [1,1,0,0,0,0|2,0,0]=4 1342 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [1,1,0,0,0,0|2,0,0]=4 1343 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [1,1,0,0,0,0|2,0,0]=4 1344 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [1,1,0,0,0,0|2,0,0]=4 1345 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [1,1,0,0,0,0|2,0,0]=4 1346 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [1,1,0,0,0,0|2,0,0]=4 1347 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [1,1,0,0,0,0|2,0,0]=4 1348 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [1,1,0,0,0,0|2,0,0]=4 1349 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [1,1,0,0,0,0|2,0,0]=4 1350 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [1,1,0,0,0,0|2,0,0]=4 1351 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [1,1,0,0,0,0|2,0,0]=4 1352 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [1,1,0,0,0,0|2,0,0]=4 1353 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,1,0,0,0,0|1,0,1]=4 1354 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [1,1,0,0,0,0|2,0,0]=4 1355 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [1,1,0,0,0,0|2,0,0]=4 1356 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [1,1,0,0,0,0|2,0,0]=4 1357 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [1,1,0,0,0,0|2,0,0]=4 1358 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [1,1,0,0,0,0|2,0,0]=4 1359 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [1,1,0,0,0,0|2,0,0]=4 1360 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [1,1,0,0,0,0|1,0,1]=4 1361 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [1,1,0,0,0,0|1,0,0]=3 1362 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [1,1,0,0,0,0|1,0,0]=3 1363 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [1,1,0,0,0,0|1,0,0]=3 1364 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [1,1,0,0,0,0|0,1,0]=3 1365 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [1,1,0,0,0,0|0,1,0]=3 1366 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [1,1,0,0,0,0|1,1,0]=4 1367 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [1,1,0,0,0,0|1,1,0]=4 1368 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [1,1,0,0,0,0|0,1,1]=4 1369 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [1,1,0,0,0,0|0,1,1]=4 1370 B7R0.3 C#CC(C)OCCBr 34a_100000211926_200000035995 [1,1,0,0,0,0|0,0,2]=4 1371 B7R0.3 C#CC(C)OCCC 34a_100000210258_200000035995 [1,1,0,0,0,0|0,0,2]=4 1372 B7R0.3 C#CC(C)OCCN 34a_100000210304_200000035995 [1,1,0,0,0,0|0,0,2]=4 1373 B7R0.3 C#CCNC(C)CC 2230a_100000209981_100000038162 [1,1,0,0,0,0|1,0,1]=4 1374 B7R0.3 C#CCNC(C)CC 34a_100000212058_100011215416 [1,1,0,0,0,0|1,0,1]=4 1375 B7R0.3 C#CCOC(C)CC 34a_100000210247_100011215416 [1,1,0,0,0,0|0,0,1]=3 1376 B7R0.3 C#CCOC(C)CC 7a_100000210228_100000038162 [1,1,0,0,0,0|0,0,1]=3 1377 B7R0.3 C#CCOC(C)CF 34a_100016041109_100000184674 [1,1,0,0,0,0|1,0,1]=4 1378 B7R0.3 C#CCOC(C)CF 7a_100016041109_100000038162 [1,1,0,0,0,0|1,0,1]=4 1379 B7R0.3 C#CCOC(C)CN 34a_100000210904_100000184674 [1,1,0,0,0,0|1,0,1]=4 1380 B7R0.3 C#CCOC(C)CO 34a_100000210247_100012180447 [1,1,0,0,0,0|1,0,1]=4 1381 B7R0.3 C#CCSC(C)CC 62a_100000038162_100000758301 [1,1,0,0,0,0|0,1,1]=4 1382 B7R0.3 C#CCSC(C)OC 62a_100000038162_100009879195 [1,1,0,0,0,0|0,1,1]=4 1383 B7R0.3 C#C[C@@H](C)OCCC 34a_100009815206_100000210303 [1,1,0,0,0,0|0,0,2]=4 1384 B7R0.3 C#C[C@@H](C)OCCC 7a_100009815206_100000210303 [1,1,0,0,0,0|0,0,2]=4 1385 B7R0.3 C#C[C@@H](C)OCCF 34a_100009815206_100011217306 [1,1,0,0,0,0|0,0,2]=4 1386 B7R0.3 C#C[C@@H](C)OCCF 7a_100009815206_100011217306 [1,1,0,0,0,0|0,0,2]=4 1387 B7R0.3 C#C[C@@H](C)OCCO 34a_100009815206_100000211926 [1,1,0,0,0,0|0,0,2]=4 1388 B7R0.3 C#C[C@@H](C)OCCO 7a_100009815206_100000211926 [1,1,0,0,0,0|0,0,2]=4 1389 B7R0.3 C#C[C@@H](C)OCSC 34a_100009815206_100011218213 [1,1,0,0,0,0|0,0,2]=4 1390 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [1,1,0,0,0,0|0,0,2]=4 1391 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [1,1,0,0,0,0|0,0,2]=4 1392 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [1,1,0,0,0,0|0,0,2]=4 1393 B7R0.3 C=CC(C)OCCF 34a_100000695699_100011217306 [1,1,0,0,0,0|0,0,2]=4 1394 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [1,1,0,0,0,0|0,0,2]=4 1395 B7R0.3 C=CC(C)OCSC 34a_100000695699_100011218213 [1,1,0,0,0,0|0,0,2]=4 1396 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [1,1,0,0,0,0|1,0,1]=4 1397 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [1,1,0,0,0,0|1,0,1]=4 1398 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [1,1,0,0,0,0|1,0,1]=4 1399 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [1,1,0,0,0,0|1,0,1]=4 1400 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [1,1,0,0,0,0|1,0,1]=4 1401 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [1,1,0,0,0,0|1,0,1]=4 1402 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [1,1,0,0,0,0|0,0,1]=3 1403 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [1,1,0,0,0,0|0,0,1]=3 1404 B7R0.3 C=CCOC(C)CF 34a_100016041109_100015514636 [1,1,0,0,0,0|1,0,1]=4 1405 B7R0.3 C=CCOC(C)CF 7a_100016041109_100015514636 [1,1,0,0,0,0|1,0,1]=4 1406 B7R0.3 C=CCOC(C)CN 34a_100000210904_100015514636 [1,1,0,0,0,0|1,0,1]=4 1407 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [1,1,0,0,0,0|1,0,1]=4 1408 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [1,1,0,0,0,0|0,1,1]=4 1409 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [1,1,0,0,0,0|0,1,1]=4 1410 B7R0.3 C=CCSC(C)OC 62a_100000210623_100009879195 [1,1,0,0,0,0|0,1,1]=4 1411 B7R0.3 C=CCSC(C)OC 62a_100009879195_100000210623 [1,1,0,0,0,0|0,1,1]=4 1412 B7R0.3 CC(C#N)OCCF 34a_100011218135_100011217306 [1,1,0,0,0,0|1,0,1]=4 1413 B7R0.3 CC(C#N)OCCO 34a_100011218135_100000211926 [1,1,0,0,0,0|1,0,1]=4 1414 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [1,1,0,0,0,0|1,0,0]=3 1415 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [1,1,0,0,0,0|1,0,0]=3 1416 B7R0.3 CC(CF)OCC#N 7a_100016041109_100011215382 [1,1,0,0,0,0|1,0,1]=4 1417 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [1,1,0,0,0,0|1,0,1]=4 1418 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [1,1,0,0,0,0|1,0,1]=4 1419 B7R0.3 CC(CF)OCCF 34a_100016041109_100011217306 [1,1,0,0,0,0|1,0,0]=3 1420 B7R0.3 CC(CF)OCCF 7a_100016041109_100011217306 [1,1,0,0,0,0|1,0,0]=3 1421 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [1,1,0,0,0,0|1,0,0]=3 1422 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [1,1,0,0,0,0|1,0,0]=3 1423 B7R0.3 CC(CN)COCF 34a_100000744482_100015361967 [1,1,0,0,0,0|2,0,0]=4 1424 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [1,1,0,0,0,0|1,0,1]=4 1425 B7R0.3 CC(CN)OCCF 34a_100000210904_100011217306 [1,1,0,0,0,0|1,0,0]=3 1426 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [1,1,0,0,0,0|1,0,0]=3 1427 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [1,1,0,0,0,0|2,0,0]=4 1428 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [1,1,0,0,0,0|2,0,0]=4 1429 B7R0.3 CC(CO)NCCF 34a_100000724931_100012180447 [1,1,0,0,0,0|2,0,0]=4 1430 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [1,1,0,0,0,0|2,0,0]=4 1431 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [1,1,0,0,0,0|2,0,0]=4 1432 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [1,1,0,0,0,0|1,0,0]=3 1433 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [1,1,0,0,0,0|1,0,0]=3 1434 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [1,1,0,0,0,0|1,1,0]=4 1435 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [1,1,0,0,0,0|1,1,0]=4 1436 B7R0.3 CC=NNC(C)CC 4a_100000718999_200000210099 [1,1,0,0,0,0|1,0,1]=4 1437 B7R0.3 CCC#CC(C)OC 34a_100000033903_200000210301 [1,1,0,0,0,0|1,0,0]=3 1438 B7R0.3 CCC#CC(C)OC 7a_100000033903_200000210301 [1,1,0,0,0,0|1,0,0]=3 1439 B7R0.3 CCC#CC(C)O[13CH3] 34a_100000033903_200025704644 [1,1,0,0,0,0|1,0,0]=3 1440 B7R0.3 CCC#CC(C)O[13CH3] 7a_100000033903_200025704644 [1,1,0,0,0,0|1,0,0]=3 1441 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [1,1,0,0,0,0|1,0,0]=3 1442 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [1,1,0,0,0,0|1,0,0]=3 1443 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [1,1,0,0,0,0|1,0,0]=3 1444 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [1,1,0,0,0,0|1,0,0]=3 1445 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [1,1,0,0,0,0|1,1,0]=4 1446 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [1,1,0,0,0,0|1,1,0]=4 1447 B7R0.3 CCC(C)NCC#N 2230a_100000209981_100011215382 [1,1,0,0,0,0|1,0,1]=4 1448 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [1,1,0,0,0,0|1,0,1]=4 1449 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [1,1,0,0,0,0|1,0,0]=3 1450 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [1,1,0,0,0,0|1,0,0]=3 1451 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [1,1,0,0,0,0|1,0,0]=3 1452 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [1,1,0,0,0,0|1,0,0]=3 1453 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [1,1,0,0,0,0|1,0,0]=3 1454 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [1,1,0,0,0,0|1,0,0]=3 1455 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [1,1,0,0,0,0|1,0,0]=3 1456 B7R0.3 CCC(C)OCC#N 7a_100000210228_100011215382 [1,1,0,0,0,0|0,0,1]=3 1457 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [1,1,0,0,0,0|0,0,1]=3 1458 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [1,1,0,0,0,0|0,0,0]=2 1459 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [1,1,0,0,0,0|0,0,0]=2 1460 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [1,1,0,0,0,0|0,0,0]=2 1461 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [1,1,0,0,0,0|0,0,0]=2 1462 B7R0.3 CCC(C)SCC#N 62a_100000758301_100011215382 [1,1,0,0,0,0|0,1,1]=4 1463 B7R0.3 CCC(C)SCC#N 62a_100011215382_100000758301 [1,1,0,0,0,0|0,1,1]=4 1464 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [1,1,0,0,0,0|0,1,1]=4 1465 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [1,1,0,0,0,0|0,1,1]=4 1466 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [1,1,0,0,0,0|0,1,0]=3 1467 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [1,1,0,0,0,0|0,1,0]=3 1468 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [1,1,0,0,0,0|0,1,0]=3 1469 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [1,1,0,0,0,0|0,1,0]=3 1470 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [1,1,0,0,0,0|0,1,0]=3 1471 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [1,1,0,0,0,0|0,1,0]=3 1472 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [1,1,0,0,0,0|0,1,0]=3 1473 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [1,1,0,0,0,0|0,1,0]=3 1474 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,1,0,0,0,0|2,0,0]=4 1475 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,1,0,0,0,0|2,0,0]=4 1476 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,1,0,0,0,0|2,0,0]=4 1477 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,1,0,0,0,0|2,0,0]=4 1478 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,1,0,0,0,0|2,0,0]=4 1479 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,1,0,0,0,0|2,0,0]=4 1480 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,1,0,0,0,0|1,0,0]=3 1481 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,1,0,0,0,0|1,0,0]=3 1482 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,1,0,0,0,0|1,0,0]=3 1483 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,1,0,0,0,0|1,0,0]=3 1484 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,1,0,0,0,0|1,0,0]=3 1485 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,1,0,0,0,0|1,1,0]=4 1486 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,1,0,0,0,0|1,1,0]=4 1487 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,1,0,0,0,0|1,1,0]=4 1488 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,1,0,0,0,0|1,1,0]=4 1489 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [1,1,0,0,0,0|2,0,0]=4 1490 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [1,1,0,0,0,0|2,0,0]=4 1491 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [1,1,0,0,0,0|2,0,0]=4 1492 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [1,1,0,0,0,0|2,0,0]=4 1493 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [1,1,0,0,0,0|2,0,0]=4 1494 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [1,1,0,0,0,0|2,0,0]=4 1495 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [1,1,0,0,0,0|2,0,0]=4 1496 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [1,1,0,0,0,0|2,0,0]=4 1497 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [1,1,0,0,0,0|1,0,0]=3 1498 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [1,1,0,0,0,0|2,0,0]=4 1499 B7R0.3 CCCOC(C)C#N 34a_100011218135_100000210303 [1,1,0,0,0,0|1,0,1]=4 1500 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,1,0,0,0,0|0,0,0]=2 1501 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,1,0,0,0,0|0,0,0]=2 1502 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [1,1,0,0,0,0|1,0,0]=3 1503 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [1,1,0,0,0,0|1,0,0]=3 1504 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [1,1,0,0,0,0|1,0,0]=3 1505 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [1,1,0,0,0,0|1,0,0]=3 1506 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [1,1,0,0,0,0|0,1,0]=3 1507 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [1,1,0,0,0,0|0,1,0]=3 1508 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [1,1,0,0,0,0|1,1,0]=4 1509 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [1,1,0,0,0,0|0,1,0]=3 1510 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [1,1,0,0,0,0|0,1,0]=3 1511 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [1,1,0,0,0,0|1,1,0]=4 1512 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [1,1,0,0,0,0|1,1,0]=4 1513 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [1,1,0,0,0,0|2,0,0]=4 1514 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [1,1,0,0,0,0|2,0,0]=4 1515 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [1,1,0,0,0,0|2,0,0]=4 1516 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [1,1,0,0,0,0|2,0,0]=4 1517 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [1,1,0,0,0,0|2,0,0]=4 1518 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [1,1,0,0,0,0|2,0,0]=4 1519 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [1,1,0,0,0,0|2,0,0]=4 1520 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [1,1,0,0,0,0|2,0,0]=4 1521 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [1,1,0,0,0,0|2,0,0]=4 1522 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [1,1,0,0,0,0|2,0,0]=4 1523 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [1,1,0,0,0,0|2,0,0]=4 1524 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [1,1,0,0,0,0|2,0,0]=4 1525 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [1,1,0,0,0,0|2,0,0]=4 1526 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [1,1,0,0,0,0|2,0,0]=4 1527 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [1,1,0,0,0,0|2,0,0]=4 1528 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [1,1,0,0,0,0|2,0,0]=4 1529 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [1,1,0,0,0,0|2,0,0]=4 1530 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [1,1,0,0,0,0|2,0,0]=4 1531 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [1,1,0,0,0,0|1,0,0]=3 1532 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [1,1,0,0,0,0|1,0,0]=3 1533 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [1,1,0,0,0,0|1,0,0]=3 1534 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [1,1,0,0,0,0|2,0,0]=4 1535 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [1,1,0,0,0,0|2,0,0]=4 1536 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [1,1,0,0,0,0|2,0,0]=4 1537 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [1,1,0,0,0,0|1,0,0]=3 1538 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [1,1,0,0,0,0|2,0,0]=4 1539 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [1,1,0,0,0,0|1,0,0]=3 1540 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,1,0,0,0,0|1,0,1]=4 1541 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,1,0,0,0,0|1,0,1]=4 1542 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,1,0,0,0,0|1,0,1]=4 1543 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,1,0,0,0,0|0,0,0]=2 1544 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [1,1,0,0,0,0|1,0,0]=3 1545 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [1,1,0,0,0,0|0,0,0]=2 1546 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [1,1,0,0,0,0|0,0,0]=2 1547 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [1,1,0,0,0,0|0,0,0]=2 1548 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [1,1,0,0,0,0|0,0,0]=2 1549 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [1,1,0,0,0,0|0,0,0]=2 1550 B7R0.3 CCOCC(Cl)CCl 34a_100000033668_100000210202 [1,1,0,0,0,0|2,0,0]=4 1551 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [1,1,0,0,0,0|1,0,0]=3 1552 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [1,1,0,0,0,0|2,0,0]=4 1553 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [1,1,0,0,0,0|1,0,0]=3 1554 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,1,0,0,0,0|0,0,0]=2 1555 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,1,0,0,0,0|0,0,0]=2 1556 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [1,1,0,0,0,0|1,0,0]=3 1557 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [1,1,0,0,0,0|2,0,0]=4 1558 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [1,1,0,0,0,0|2,0,0]=4 1559 B7R0.3 CCOC[C@H](F)CN 34a_100015665980_100000210202 [1,1,0,0,0,0|2,0,0]=4 1560 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [1,1,0,0,0,0|0,1,0]=3 1561 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [1,1,0,0,0,0|0,1,0]=3 1562 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [1,1,0,0,0,0|1,1,0]=4 1563 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [1,1,0,0,0,0|1,1,0]=4 1564 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [1,1,0,0,0,0|1,1,0]=4 1565 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [1,1,0,0,0,0|0,1,0]=3 1566 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [1,1,0,0,0,0|0,1,0]=3 1567 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [1,1,0,0,0,0|1,1,0]=4 1568 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [1,1,0,0,0,0|1,1,0]=4 1569 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [1,1,0,0,0,0|1,0,0]=3 1570 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [1,1,0,0,0,0|1,1,0]=4 1571 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [1,1,0,0,0,0|1,1,0]=4 1572 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [1,1,0,0,0,0|2,0,0]=4 1573 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [1,1,0,0,0,0|2,0,0]=4 1574 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [1,1,0,0,0,0|2,0,0]=4 1575 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [1,1,0,0,0,0|2,0,0]=4 1576 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,1,0,0,0,0|1,0,1]=4 1577 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,1,0,0,0,0|1,0,1]=4 1578 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [1,1,0,0,0,0|1,0,0]=3 1579 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [1,1,0,0,0,0|1,0,0]=3 1580 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [1,1,0,0,0,0|1,0,0]=3 1581 B7R0.3 COC(C)COCF 34a_100000690652_100015361967 [1,1,0,0,0,0|1,0,0]=3 1582 B7R0.3 COC(C)SCC#N 62a_100009879195_100011215382 [1,1,0,0,0,0|0,1,1]=4 1583 B7R0.3 COC(C)SCC#N 62a_100011215382_100009879195 [1,1,0,0,0,0|0,1,1]=4 1584 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [1,1,0,0,0,0|0,1,1]=4 1585 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [1,1,0,0,0,0|0,1,1]=4 1586 B7R0.3 COC(C)SCCF 62a_100009879195_100011217306 [1,1,0,0,0,0|0,1,0]=3 1587 B7R0.3 COC(C)SCCF 62a_100011217306_100009879195 [1,1,0,0,0,0|0,1,0]=3 1588 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [1,1,0,0,0,0|0,1,0]=3 1589 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [1,1,0,0,0,0|0,1,0]=3 1590 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [1,1,0,0,0,0|0,1,0]=3 1591 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [1,1,0,0,0,0|0,1,0]=3 1592 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [1,1,0,0,0,0|1,0,0]=3 1593 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [1,1,0,0,0,0|2,0,0]=4 1594 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [1,1,0,0,0,0|1,1,0]=4 1595 B7R0.3 COCSC(C)OC 62a_100000766300_100009879195 [1,1,0,0,0,0|0,1,0]=3 1596 B7R0.3 COCSC(C)OC 62a_100009879195_100000766300 [1,1,0,0,0,0|0,1,0]=3 1597 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [1,1,0,0,0,0|1,1,0]=4 1598 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [1,1,0,0,0,0|1,1,0]=4 1599 B7R0.3 CSCN[C@H](C)CO 2230a_100000737577_100011218213 [1,1,0,0,0,0|2,0,0]=4 1600 B7R0.3 CSCOC(C)C#N 34a_100011218135_100011218213 [1,1,0,0,0,0|1,0,1]=4 1601 B7R0.3 CSCOC(C)CF 34a_100016041109_100011218213 [1,1,0,0,0,0|1,0,0]=3 1602 B7R0.3 CSCOC(C)CN 34a_100000210904_100011218213 [1,1,0,0,0,0|1,0,0]=3 1603 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [1,1,0,0,0,0|1,1,0]=4 1604 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [1,1,0,0,0,0|1,1,0]=4 1605 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [1,1,0,0,0,0|1,1,0]=4 1606 B7R0.3 C[C@H](CO)NCCF 2230a_100000737577_100011217306 [1,1,0,0,0,0|2,0,0]=4 1607 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [1,1,0,0,0,0|2,0,0]=4 1608 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [1,1,0,0,0,0|1,1,0]=4 1609 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [1,1,0,0,0,0|1,1,0]=4 1610 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [1,1,0,0,0,0|1,1,0]=4 1611 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [1,1,0,0,0,0|1,1,0]=4 1612 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [1,1,0,0,0,0|1,0,1]=4 1613 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [1,1,0,0,0,0|1,0,1]=4 1614 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [1,1,0,0,0,0|1,0,0]=3 1615 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,1,0,0,0,0|1,0,1]=4 1616 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,1,0,0,0,0|1,0,1]=4 1617 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,1,0,0,0,0|1,0,1]=4 1618 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [1,1,0,0,0,0|2,0,0]=4 1619 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [1,1,0,0,0,0|2,0,0]=4 1620 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [1,1,0,0,0,0|2,0,0]=4 1621 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [1,1,0,0,0,0|2,0,0]=4 1622 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [1,1,0,0,0,0|2,0,0]=4 1623 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [1,1,0,0,0,0|2,0,0]=4 1624 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [1,1,0,0,0,0|2,0,0]=4 1625 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [1,1,0,0,0,0|2,0,0]=4 1626 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [1,1,0,0,0,0|2,0,0]=4 1627 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [1,1,0,0,0,0|2,0,0]=4 1628 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,1,0,0,0,0|1,0,1]=4 1629 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [1,1,0,0,0,0|1,0,0]=3 1630 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,1,0,0,0,0|0,0,1]=3 1631 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,1,0,0,0,0|0,0,1]=3 1632 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [1,1,0,0,0,0|1,0,1]=4 1633 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,1,0,0,0,0|0,0,1]=3 1634 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [1,1,0,0,0,0|0,0,0]=2 1635 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [1,1,0,0,0,0|1,0,1]=4 1636 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [1,1,0,0,0,0|1,0,1]=4 1637 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [1,1,0,0,0,0|1,0,1]=4 1638 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,1,0,0,0,0|0,1,1]=4 1639 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,1,0,0,0,0|0,1,1]=4 1640 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,1,0,0,0,0|0,1,1]=4 1641 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,1,0,0,0,0|0,1,1]=4 1642 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,1,0,0,0,0|1,0,0]=3 1643 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,1,0,0,0,0|1,0,0]=3 1644 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [1,1,0,0,0,0|2,0,0]=4 1645 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [1,1,0,0,0,0|2,0,0]=4 1646 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [1,1,0,0,0,0|1,0,0]=3 1647 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [1,1,0,0,0,0|1,1,0]=4 1648 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [1,1,0,0,0,0|1,1,0]=4 1649 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [1,1,0,0,0,0|1,1,0]=4 1650 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [1,1,0,0,0,0|1,1,0]=4 1651 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [1,1,0,0,0,0|1,1,0]=4 1652 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,1,0,0,0,0|2,0,0]=4 1653 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 1654 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 1655 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 1656 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 1657 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [1,1,0,0,0,0|2,0,0]=4 1658 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,1,0,0,0,0|2,0,0]=4 1659 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,1,0,0,0,0|2,0,0]=4 1660 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 1661 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 1662 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 1663 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [1,1,0,0,0,0|2,0,0]=4 1664 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [1,1,0,0,0,0|2,0,0]=4 1665 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [1,1,0,0,0,0|1,0,0]=3 1666 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [1,1,0,0,0,0|1,0,0]=3 1667 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [1,1,0,0,0,0|1,0,0]=3 1668 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [1,1,0,0,0,0|1,0,0]=3 1669 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [1,1,0,0,0,0|1,0,0]=3 1670 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [1,1,0,0,0,0|1,0,0]=3 1671 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [1,1,0,0,0,0|1,0,0]=3 1672 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [1,1,0,0,0,0|1,0,0]=3 1673 B7R0.10 CCC(C)N(C)CF 269982a_100000741768_100015361967 [1,1,0,0,0,0|2,0,0]=4 1674 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [1,1,0,0,0,0|1,0,0]=3 1675 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [1,1,0,0,0,0|1,0,0]=3 1676 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [1,1,0,0,0,0|2,0,0]=4 1677 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [1,1,0,0,0,0|2,0,0]=4 1678 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [1,1,0,0,0,0|2,0,0]=4 1679 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [1,1,0,0,0,0|2,0,0]=4 1680 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [1,1,0,0,0,0|2,0,0]=4 1681 B7R0.10 CCN(C)C(C)OC 269982a_100000225621_100009879195 [1,1,0,0,0,0|1,0,0]=3 1682 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [1,1,0,0,0,0|2,0,0]=4 1683 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [1,1,0,0,0,0|2,0,0]=4 1684 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [1,1,0,0,0,0|2,0,0]=4 1685 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [1,1,0,0,0,0|2,0,0]=4 1686 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 1687 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 1688 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [1,1,0,0,0,0|2,0,0]=4 1689 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 1690 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [1,1,0,0,0,0|2,0,0]=4 1691 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [1,1,0,0,0,0|2,0,0]=4 1692 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [1,1,0,0,0,0|2,0,0]=4 1693 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [1,1,0,0,0,0|2,0,0]=4 1694 B7R0.11 C#CC(C)(C)OCC 34a_100000189450_100000210202 [1,1,0,0,0,0|0,0,2]=4 1695 B7R0.11 C#CC(C)(C)OCC 34a_100121572206_100000038118 [1,1,0,0,0,0|0,0,2]=4 1696 B7R0.11 C#CC(C)(C)OCC 7a_100000189450_100000210202 [1,1,0,0,0,0|0,0,2]=4 1697 B7R0.11 C=CC(C)(C)OCC 34a_100011215311_100000210202 [1,1,0,0,0,0|0,0,2]=4 1698 B7R0.11 C=CC(C)(C)OCC 7a_100011215311_100000210202 [1,1,0,0,0,0|0,0,2]=4 1699 B7R0.11 CC(C)(CCBr)O[13CH3] 7a_100000702414_200025704644 [1,1,0,0,0,0|2,0,0]=4 1700 B7R0.11 CC(C)(CCl)OCF 7a_100000764493_100015361967 [1,1,0,0,0,0|2,0,0]=4 1701 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [1,1,0,0,0,0|2,0,0]=4 1702 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [1,1,0,0,0,0|2,0,0]=4 1703 B7R0.11 CCC(C)(C)OCF 7a_100000210230_100015361967 [1,1,0,0,0,0|1,0,0]=3 1704 B7R0.11 CCC(C)(C)SCF 62a_100000032637_100015361967 [1,1,0,0,0,0|1,1,0]=4 1705 B7R0.11 CCC(C)(C)SCF 62a_100015361967_100000032637 [1,1,0,0,0,0|1,1,0]=4 1706 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [1,1,0,0,0,0|1,0,0]=3 1707 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [1,1,0,0,0,0|1,0,0]=3 1708 B7R0.11 CCNC(C)(C)CC 2230a_100000211385_100000210202 [1,1,0,0,0,0|1,0,0]=3 1709 B7R0.11 CCNC(C)(C)CO 2230a_100000210608_100000210202 [1,1,0,0,0,0|2,0,0]=4 1710 B7R0.11 CCOC(C)(C)C#N 34a_100121572206_100011162410 [1,1,0,0,0,0|1,0,1]=4 1711 B7R0.11 CCOC(C)(C)C#N 34a_200015195151_100000210202 [1,1,0,0,0,0|1,0,1]=4 1712 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [1,1,0,0,0,0|0,0,0]=2 1713 B7R0.11 CCOC(C)(C)CCl 7a_100000764493_100000210202 [1,1,0,0,0,0|1,0,0]=3 1714 B7R0.11 CCSC(C)(C)CC 62a_100000032637_100000210202 [1,1,0,0,0,0|0,1,0]=3 1715 B7R0.11 CCSC(C)(C)CC 62a_100000210202_100000032637 [1,1,0,0,0,0|0,1,0]=3 1716 B7R0.11 CNCC(C)(C)OC 2230a_100000763424_200000210301 [1,1,0,0,0,0|2,0,0]=4 1717 B7R0.11 CNCC(C)(C)OC 34a_100102657272_100000701081 [1,1,0,0,0,0|2,0,0]=4 1718 B7R0.11 COC(C)(C)CCBr 7a_100000702414_200000210301 [1,1,0,0,0,0|2,0,0]=4 1719 B7R0.11 COC(C)(C)CN[13CH3] 2230a_100000763424_200025704644 [1,1,0,0,0,0|2,0,0]=4 1720 B7R0.11 COC(C)(C)CSC 62a_100000701081_200000210301 [1,1,0,0,0,0|2,0,0]=4 1721 B7R0.11 COC(C)(C)CSC 62a_200000210301_100000701081 [1,1,0,0,0,0|2,0,0]=4 1722 B7R0.11 COC(C)(C)CS[13CH3] 62a_100000701081_200025704644 [1,1,0,0,0,0|2,0,0]=4 1723 B7R0.11 COC(C)(C)CS[13CH3] 62a_200025704644_100000701081 [1,1,0,0,0,0|2,0,0]=4 1724 B7R0.11 COCC(C)(C)OC 34a_100138415774_100000701081 [1,1,0,0,0,0|2,0,0]=4 1725 B7R0.12 C#CC(CC)OCC 34a_100000758843_100000210202 [1,1,0,0,0,0|0,0,1]=3 1726 B7R0.12 C#CC(CC)OCC 7a_100000758843_100000210202 [1,1,0,0,0,0|0,0,1]=3 1727 B7R0.12 C#CC(CC)OCF 34a_100000758843_100015361967 [1,1,0,0,0,0|1,0,1]=4 1728 B7R0.12 C#CC(CC)OCF 7a_100000758843_100015361967 [1,1,0,0,0,0|1,0,1]=4 1729 B7R0.12 C#CC(CCC)OC 34a_200011217317_200000210301 [1,1,0,0,0,0|1,0,1]=4 1730 B7R0.12 C#CC(CCC)OC 7a_200011217317_200000210301 [1,1,0,0,0,0|1,0,1]=4 1731 B7R0.12 C#CC(CCC)O[13CH3] 34a_200011217317_200025704644 [1,1,0,0,0,0|1,0,1]=4 1732 B7R0.12 C#CC(CCC)O[13CH3] 7a_200011217317_200025704644 [1,1,0,0,0,0|1,0,1]=4 1733 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [1,1,0,0,0,0|0,0,1]=3 1734 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [1,1,0,0,0,0|0,0,1]=3 1735 B7R0.12 C=CC(CC)OCF 34a_100000766422_100015361967 [1,1,0,0,0,0|1,0,1]=4 1736 B7R0.12 C=CC(CC)OCF 7a_100000766422_100015361967 [1,1,0,0,0,0|1,0,1]=4 1737 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [1,1,0,0,0,0|1,0,1]=4 1738 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [1,1,0,0,0,0|1,0,1]=4 1739 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [1,1,0,0,0,0|1,0,1]=4 1740 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [1,1,0,0,0,0|1,0,1]=4 1741 B7R0.12 CC#CC(CC)OC 34a_200011219922_200000210301 [1,1,0,0,0,0|1,0,1]=4 1742 B7R0.12 CC#CC(CC)OC 7a_200011219922_200000210301 [1,1,0,0,0,0|1,0,1]=4 1743 B7R0.12 CC#CC(CC)O[13CH3] 34a_200011219922_200025704644 [1,1,0,0,0,0|1,0,1]=4 1744 B7R0.12 CC#CC(CC)O[13CH3] 7a_200011219922_200025704644 [1,1,0,0,0,0|1,0,1]=4 1745 B7R0.12 CCC(CC)CNC 2230a_100102946423_200000210301 [1,1,0,0,0,0|2,0,0]=4 1746 B7R0.12 CCC(CC)CNC 2230a_106832991635_100011215472 [1,1,0,0,0,0|2,0,0]=4 1747 B7R0.12 CCC(CC)CNC 269862a_106832991636_100000211137 [1,1,0,0,0,0|2,0,0]=4 1748 B7R0.12 CCC(CC)CNC 270004a_106832991635_100000211137 [1,1,0,0,0,0|2,0,0]=4 1749 B7R0.12 CCC(CC)CNC 34a_100102657272_100011215472 [1,1,0,0,0,0|2,0,0]=4 1750 B7R0.12 CCC(CC)CNC 7a_106832991635_100011215472 [1,1,0,0,0,0|2,0,0]=4 1751 B7R0.12 CCC(CC)CN[13CH3] 2230a_100102946423_200025704644 [1,1,0,0,0,0|2,0,0]=4 1752 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [1,1,0,0,0,0|2,0,0]=4 1753 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [1,1,0,0,0,0|2,0,0]=4 1754 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [1,1,0,0,0,0|2,0,0]=4 1755 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [1,1,0,0,0,0|2,0,0]=4 1756 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [1,1,0,0,0,0|2,0,0]=4 1757 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [1,1,0,0,0,0|2,0,0]=4 1758 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [1,1,0,0,0,0|2,0,0]=4 1759 B7R0.12 CCC(CC)OCF 7a_100000688536_100015361967 [1,1,0,0,0,0|1,0,0]=3 1760 B7R0.12 CCC(CC)SCF 62a_100000210505_100015361967 [1,1,0,0,0,0|1,1,0]=4 1761 B7R0.12 CCC(CC)SCF 62a_100015361967_100000210505 [1,1,0,0,0,0|1,1,0]=4 1762 B7R0.12 CCC(COC)NC 2230a_100000757820_200000210301 [1,1,0,0,0,0|2,0,0]=4 1763 B7R0.12 CCC(COC)NC 270004a_106832991635_100000757811 [1,1,0,0,0,0|2,0,0]=4 1764 B7R0.12 CCC(COC)N[13CH3] 2230a_100000757820_200025704644 [1,1,0,0,0,0|2,0,0]=4 1765 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [1,1,0,0,0,0|2,0,0]=4 1766 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [1,1,0,0,0,0|2,0,0]=4 1767 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [1,1,0,0,0,0|2,0,0]=4 1768 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [1,1,0,0,0,0|2,0,0]=4 1769 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [1,1,0,0,0,0|2,0,0]=4 1770 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [1,1,0,0,0,0|2,0,0]=4 1771 B7R0.12 CCCC(C#N)OC 34a_100000686963_200000210301 [1,1,0,0,0,0|1,0,1]=4 1772 B7R0.12 CCCC(C#N)OC 7a_100000686963_200000210301 [1,1,0,0,0,0|1,0,1]=4 1773 B7R0.12 CCCC(C#N)O[13CH3] 34a_100000686963_200025704644 [1,1,0,0,0,0|1,0,1]=4 1774 B7R0.12 CCCC(C#N)O[13CH3] 7a_100000686963_200025704644 [1,1,0,0,0,0|1,0,1]=4 1775 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [1,1,0,0,0,0|1,0,0]=3 1776 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [1,1,0,0,0,0|1,0,0]=3 1777 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [1,1,0,0,0,0|1,0,0]=3 1778 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [1,1,0,0,0,0|1,0,0]=3 1779 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [1,1,0,0,0,0|1,0,0]=3 1780 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [1,1,0,0,0,0|1,0,0]=3 1781 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [1,1,0,0,0,0|1,0,0]=3 1782 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [1,1,0,0,0,0|1,0,0]=3 1783 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [1,1,0,0,0,0|1,0,0]=3 1784 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [1,1,0,0,0,0|1,0,0]=3 1785 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [1,1,0,0,0,0|1,0,0]=3 1786 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [1,1,0,0,0,0|1,0,0]=3 1787 B7R0.12 CCCN(CC)CC 2230a_100000226822_100000210202 [1,1,0,0,0,0|2,0,0]=4 1788 B7R0.12 CCCN(CC)CC 2230a_100000724800_100000210303 [1,1,0,0,0,0|2,0,0]=4 1789 B7R0.12 CCCN(CC)CC 269956a_100000042499_100000210207 [1,1,0,0,0,0|2,0,0]=4 1790 B7R0.12 CCCN(CC)CC 269982a_100000226822_100000204670 [1,1,0,0,0,0|2,0,0]=4 1791 B7R0.12 CCCN(CC)CC 269982a_100000724800_100000210303 [1,1,0,0,0,0|2,0,0]=4 1792 B7R0.12 CCCN(CC)CF 269982a_100000226822_100015361967 [1,1,0,0,0,0|2,0,0]=4 1793 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [1,1,0,0,0,0|2,0,0]=4 1794 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [1,1,0,0,0,0|2,0,0]=4 1795 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [1,1,0,0,0,0|2,0,0]=4 1796 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [1,1,0,0,0,0|2,0,0]=4 1797 B7R0.12 CCNC(CC)CC 2230a_100000199018_100000210202 [1,1,0,0,0,0|1,0,0]=3 1798 B7R0.12 CCNC(CC)CC 270004a_100015525214_100000210860 [1,1,0,0,0,0|1,0,0]=3 1799 B7R0.12 CCNC(CO)CO 2230a_100000759517_100000210202 [1,1,0,0,0,0|2,0,0]=4 1800 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [1,1,0,0,0,0|1,0,0]=3 1801 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [1,1,0,0,0,0|0,0,0]=2 1802 B7R0.12 CCOC(CCl)CCl 7a_100000737055_100000210202 [1,1,0,0,0,0|1,0,0]=3 1803 B7R0.12 CCOC(CF)CF 34a_100000032261_100000210202 [1,1,0,0,0,0|1,0,0]=3 1804 B7R0.12 CCOC(CF)CF 7a_100000032261_100000210202 [1,1,0,0,0,0|1,0,0]=3 1805 B7R0.12 CCOC(CN)CN 34a_100000031598_100000210202 [1,1,0,0,0,0|1,0,0]=3 1806 B7R0.12 CCO[C@@H](CF)CCl 34a_100015614560_100000210202 [1,1,0,0,0,0|1,0,0]=3 1807 B7R0.12 CCO[C@@H](CF)CCl 7a_100015614560_100000210202 [1,1,0,0,0,0|1,0,0]=3 1808 B7R0.12 CCSC(CC)CC 62a_100000210202_100000210505 [1,1,0,0,0,0|0,1,0]=3 1809 B7R0.12 CCSC(CC)CC 62a_100000210505_100000210202 [1,1,0,0,0,0|0,1,0]=3 1810 B7R0.12 CNCC(OC)OC 2230a_106832991635_100000751394 [1,1,0,0,0,0|2,0,0]=4 1811 B7R0.12 CNCC(OC)OC 270004a_106832991635_100000752162 [1,1,0,0,0,0|2,0,0]=4 1812 B7R0.12 CNCC(OC)OC 34a_100102657272_100000211822 [1,1,0,0,0,0|2,0,0]=4 1813 B7R0.12 CNCC(OC)OC 7a_106832991635_100000751394 [1,1,0,0,0,0|2,0,0]=4 1814 B7R0.12 COC(CO[13CH3])OC 34a_100011216393_200025704644 [1,1,0,0,0,0|2,0,0]=4 1815 B7R0.12 COC(CSC)OC 62a_100000751394_200000210301 [1,1,0,0,0,0|2,0,0]=4 1816 B7R0.12 COC(CSC)OC 62a_200000210301_100000751394 [1,1,0,0,0,0|2,0,0]=4 1817 B7R0.12 COC(CS[13CH3])OC 62a_100000751394_200025704644 [1,1,0,0,0,0|2,0,0]=4 1818 B7R0.12 COC(CS[13CH3])OC 62a_200025704644_100000751394 [1,1,0,0,0,0|2,0,0]=4 1819 B7R0.12 COCC(CCl)OC 34a_100011215053_200000210301 [1,1,0,0,0,0|2,0,0]=4 1820 B7R0.12 COCC(CCl)O[13CH3] 34a_100011215053_200025704644 [1,1,0,0,0,0|2,0,0]=4 1821 B7R0.12 COCC(CN)OC 34a_100000756049_200000210301 [1,1,0,0,0,0|2,0,0]=4 1822 B7R0.12 COCC(CN)O[13CH3] 34a_100000756049_200025704644 [1,1,0,0,0,0|2,0,0]=4 1823 B7R0.12 COCC(OC)OC 34a_100011216393_200000210301 [1,1,0,0,0,0|2,0,0]=4 1824 B7R0.12 COCC(OC)OC 34a_100138415774_100000211822 [1,1,0,0,0,0|2,0,0]=4 1825 B7R0.12 FCOC(CCl)CCl 7a_100000737055_100015361967 [1,1,0,0,0,0|2,0,0]=4 1826 B7R0.12 FCOC(CF)CF 34a_100000032261_100015361967 [1,1,0,0,0,0|2,0,0]=4 1827 B7R0.12 FCOC(CF)CF 7a_100000032261_100015361967 [1,1,0,0,0,0|2,0,0]=4 1828 B7R0.12 FCO[C@@H](CF)CCl 34a_100015614560_100015361967 [1,1,0,0,0,0|2,0,0]=4 1829 B7R0.12 FCO[C@@H](CF)CCl 7a_100015614560_100015361967 [1,1,0,0,0,0|2,0,0]=4 1830 B7R0.12 NCC(CN)OCF 34a_100000031598_100015361967 [1,1,0,0,0,0|2,0,0]=4 1831 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [1,1,0,0,0,0|1,0,1]=4 1832 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [1,1,0,0,0,0|1,0,1]=4 1833 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [1,1,0,0,0,0|1,0,1]=4 1834 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [1,1,0,0,0,0|1,0,1]=4 1835 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [1,1,0,0,0,0|1,0,1]=4 1836 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [1,1,0,0,0,0|1,0,1]=4 1837 B7R0.1 C#CCSCOCC 62a_100000038162_100000739092 [1,1,0,0,0,0|0,1,1]=4 1838 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,1,0,0,0,0|1,0,1]=4 1839 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [1,1,0,0,0,0|1,0,1]=4 1840 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,1,0,0,0,0|1,0,1]=4 1841 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,1,0,0,0,0|1,0,1]=4 1842 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [1,1,0,0,0,0|1,0,1]=4 1843 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [1,1,0,0,0,0|1,0,1]=4 1844 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [1,1,0,0,0,0|1,0,1]=4 1845 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [1,1,0,0,0,0|1,0,1]=4 1846 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,1,0,0,0,0|1,0,1]=4 1847 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,1,0,0,0,0|1,0,1]=4 1848 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,1,0,0,0,0|1,0,1]=4 1849 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,1,0,0,0,0|1,0,1]=4 1850 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,1,0,0,0,0|1,0,1]=4 1851 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,1,0,0,0,0|1,0,1]=4 1852 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [1,1,0,0,0,0|0,1,1]=4 1853 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [1,1,0,0,0,0|0,1,1]=4 1854 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [1,1,0,0,0,0|0,0,2]=4 1855 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [1,1,0,0,0,0|0,0,2]=4 1856 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [1,1,0,0,0,0|1,0,1]=4 1857 B7R0.1 CC#CCOCCBr 34a_100000211926_100000748600 [1,1,0,0,0,0|1,0,1]=4 1858 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [1,1,0,0,0,0|1,0,1]=4 1859 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [1,1,0,0,0,0|1,0,1]=4 1860 B7R0.1 CC#CCOCCF 34a_100000761923_100011217306 [1,1,0,0,0,0|1,0,1]=4 1861 B7R0.1 CC#CCOCCN 34a_100000210304_100000748600 [1,1,0,0,0,0|1,0,1]=4 1862 B7R0.1 CC#CCOCCO 34a_100000761923_100000211926 [1,1,0,0,0,0|1,0,1]=4 1863 B7R0.1 CC#CCOCSC 34a_100000761923_100011218213 [1,1,0,0,0,0|1,0,1]=4 1864 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,1,0,0,0,0|2,0,0]=4 1865 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,1,0,0,0,0|1,0,0]=3 1866 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,1,0,0,0,0|1,0,0]=3 1867 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [1,1,0,0,0,0|2,0,0]=4 1868 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,1,0,0,0,0|1,1,0]=4 1869 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,1,0,0,0,0|1,1,0]=4 1870 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [1,1,0,0,0,0|1,0,1]=4 1871 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,1,0,0,0,0|1,0,1]=4 1872 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [1,1,0,0,0,0|1,0,1]=4 1873 B7R0.1 CCC#CCNCC 2230a_100015525214_100009813939 [1,1,0,0,0,0|2,0,0]=4 1874 B7R0.1 CCC#CCOCC 34a_100000032950_100000210202 [1,1,0,0,0,0|1,0,0]=3 1875 B7R0.1 CCC#CCOCC 34a_100121572206_100009813939 [1,1,0,0,0,0|1,0,0]=3 1876 B7R0.1 CCC#CCOCF 34a_100000032950_100015361967 [1,1,0,0,0,0|2,0,0]=4 1877 B7R0.1 CCC#CCSCC 62a_100000210202_100009813939 [1,1,0,0,0,0|1,1,0]=4 1878 B7R0.1 CCC#CCSCC 62a_100009813939_100000210202 [1,1,0,0,0,0|1,1,0]=4 1879 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,1,0,0,0,0|2,0,0]=4 1880 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,1,0,0,0,0|2,0,0]=4 1881 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,1,0,0,0,0|2,0,0]=4 1882 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,1,0,0,0,0|2,0,0]=4 1883 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,1,0,0,0,0|2,0,0]=4 1884 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,1,0,0,0,0|2,0,0]=4 1885 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,1,0,0,0,0|2,0,0]=4 1886 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,1,0,0,0,0|2,0,0]=4 1887 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,1,0,0,0,0|2,0,0]=4 1888 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,1,0,0,0,0|2,0,0]=4 1889 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,1,0,0,0,0|2,0,0]=4 1890 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,1,0,0,0,0|2,0,0]=4 1891 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,1,0,0,0,0|2,0,0]=4 1892 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,1,0,0,0,0|2,0,0]=4 1893 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,1,0,0,0,0|2,0,0]=4 1894 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,1,0,0,0,0|2,0,0]=4 1895 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,1,0,0,0,0|1,0,0]=3 1896 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,1,0,0,0,0|1,0,0]=3 1897 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,1,0,0,0,0|1,0,0]=3 1898 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,1,0,0,0,0|2,0,0]=4 1899 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,1,0,0,0,0|2,0,0]=4 1900 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,1,0,0,0,0|1,1,0]=4 1901 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,1,0,0,0,0|1,1,0]=4 1902 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,1,0,0,0,0|2,0,0]=4 1903 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,1,0,0,0,0|2,0,0]=4 1904 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [1,1,0,0,0,0|2,0,0]=4 1905 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [1,1,0,0,0,0|2,0,0]=4 1906 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [1,1,0,0,0,0|2,0,0]=4 1907 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,1,0,0,0,0|2,0,0]=4 1908 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,1,0,0,0,0|2,0,0]=4 1909 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,1,0,0,0,0|2,0,0]=4 1910 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,1,0,0,0,0|2,0,0]=4 1911 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,1,0,0,0,0|2,0,0]=4 1912 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,1,0,0,0,0|2,0,0]=4 1913 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [1,1,0,0,0,0|1,0,1]=4 1914 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,1,0,0,0,0|1,0,1]=4 1915 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,1,0,0,0,0|1,0,1]=4 1916 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,1,0,0,0,0|1,0,0]=3 1917 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,1,0,0,0,0|1,0,0]=3 1918 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,1,0,0,0,0|1,0,0]=3 1919 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,1,0,0,0,0|1,0,0]=3 1920 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,1,0,0,0,0|1,0,0]=3 1921 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,1,0,0,0,0|1,0,0]=3 1922 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,1,0,0,0,0|1,0,0]=3 1923 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,1,0,0,0,0|1,0,0]=3 1924 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,1,0,0,0,0|1,0,0]=3 1925 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,1,0,0,0,0|1,0,0]=3 1926 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,1,0,0,0,0|1,0,0]=3 1927 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,1,0,0,0,0|1,0,0]=3 1928 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,1,0,0,0,0|1,0,0]=3 1929 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,1,0,0,0,0|1,0,0]=3 1930 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,1,0,0,0,0|1,0,0]=3 1931 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,1,0,0,0,0|1,0,0]=3 1932 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,1,0,0,0,0|1,0,0]=3 1933 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,1,0,0,0,0|1,1,0]=4 1934 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,1,0,0,0,0|1,1,0]=4 1935 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [1,1,0,0,0,0|1,1,0]=4 1936 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [1,1,0,0,0,0|1,1,0]=4 1937 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,1,0,0,0,0|1,1,0]=4 1938 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,1,0,0,0,0|1,1,0]=4 1939 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,1,0,0,0,0|1,1,0]=4 1940 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,1,0,0,0,0|1,1,0]=4 1941 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,1,0,0,0,0|1,1,0]=4 1942 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,1,0,0,0,0|1,1,0]=4 1943 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [1,1,0,0,0,0|2,0,0]=4 1944 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [1,1,0,0,0,0|2,0,0]=4 1945 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [1,1,0,0,0,0|2,0,0]=4 1946 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [1,1,0,0,0,0|2,0,0]=4 1947 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,1,0,0,0,0|2,0,0]=4 1948 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,1,0,0,0,0|2,0,0]=4 1949 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,1,0,0,0,0|2,0,0]=4 1950 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,1,0,0,0,0|2,0,0]=4 1951 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,1,0,0,0,0|2,0,0]=4 1952 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,1,0,0,0,0|2,0,0]=4 1953 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,1,0,0,0,0|2,0,0]=4 1954 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,1,0,0,0,0|2,0,0]=4 1955 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,1,0,0,0,0|2,0,0]=4 1956 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,1,0,0,0,0|2,0,0]=4 1957 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,1,0,0,0,0|2,0,0]=4 1958 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,1,0,0,0,0|2,0,0]=4 1959 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,1,0,0,0,0|2,0,0]=4 1960 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,1,0,0,0,0|2,0,0]=4 1961 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,1,0,0,0,0|2,0,0]=4 1962 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,1,0,0,0,0|2,0,0]=4 1963 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,1,0,0,0,0|2,0,0]=4 1964 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,1,0,0,0,0|2,0,0]=4 1965 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,1,0,0,0,0|2,0,0]=4 1966 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,1,0,0,0,0|2,0,0]=4 1967 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,1,0,0,0,0|2,0,0]=4 1968 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,1,0,0,0,0|2,0,0]=4 1969 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,1,0,0,0,0|2,0,0]=4 1970 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,1,0,0,0,0|0,1,0]=3 1971 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,1,0,0,0,0|0,1,0]=3 1972 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [1,1,0,0,0,0|2,0,0]=4 1973 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,1,0,0,0,0|2,0,0]=4 1974 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,1,0,0,0,0|2,0,0]=4 1975 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,1,0,0,0,0|2,0,0]=4 1976 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,1,0,0,0,0|2,0,0]=4 1977 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,1,0,0,0,0|2,0,0]=4 1978 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,1,0,0,0,0|2,0,0]=4 1979 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,1,0,0,0,0|1,0,0]=3 1980 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,1,0,0,0,0|1,0,0]=3 1981 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,1,0,0,0,0|1,0,0]=3 1982 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [1,1,0,0,0,0|1,1,0]=4 1983 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [1,1,0,0,0,0|1,1,0]=4 1984 B7R0.1 CCOCC#CCCl 34a_200000047223_100000210202 [1,1,0,0,0,0|1,0,1]=4 1985 B7R0.1 CCOCC#CCO 34a_100121572206_200000047223 [1,1,0,0,0,0|1,0,1]=4 1986 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,1,0,0,0,0|1,0,0]=3 1987 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,1,0,0,0,0|1,0,0]=3 1988 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,1,0,0,0,0|1,0,0]=3 1989 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,1,0,0,0,0|1,0,0]=3 1990 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,1,0,0,0,0|1,0,0]=3 1991 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,1,0,0,0,0|1,0,0]=3 1992 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,1,0,0,0,0|1,0,0]=3 1993 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,1,0,0,0,0|1,0,0]=3 1994 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,1,0,0,0,0|1,0,0]=3 1995 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,1,0,0,0,0|1,0,0]=3 1996 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,1,0,0,0,0|1,0,0]=3 1997 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,1,0,0,0,0|1,0,0]=3 1998 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,1,0,0,0,0|1,0,0]=3 1999 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,1,0,0,0,0|1,0,0]=3 2000 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,1,0,0,0,0|1,0,0]=3 2001 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,1,0,0,0,0|1,0,0]=3 2002 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,1,0,0,0,0|1,0,0]=3 2003 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,1,0,0,0,0|1,0,0]=3 2004 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,1,0,0,0,0|1,0,0]=3 2005 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,1,0,0,0,0|1,0,0]=3 2006 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,1,0,0,0,0|1,0,0]=3 2007 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,1,0,0,0,0|1,0,0]=3 2008 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,1,0,0,0,0|1,0,0]=3 2009 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,1,0,0,0,0|1,0,0]=3 2010 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,1,0,0,0,0|1,0,0]=3 2011 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,1,0,0,0,0|1,0,0]=3 2012 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,1,0,0,0,0|1,0,0]=3 2013 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,1,0,0,0,0|1,0,0]=3 2014 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,1,0,0,0,0|1,0,0]=3 2015 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,1,0,0,0,0|1,0,0]=3 2016 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [1,1,0,0,0,0|2,0,0]=4 2017 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,1,0,0,0,0|0,0,0]=2 2018 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,1,0,0,0,0|0,0,0]=2 2019 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,1,0,0,0,0|0,0,0]=2 2020 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [1,1,0,0,0,0|1,0,0]=3 2021 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [1,1,0,0,0,0|1,0,0]=3 2022 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,1,0,0,0,0|0,1,0]=3 2023 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,1,0,0,0,0|0,1,0]=3 2024 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,1,0,0,0,0|0,1,0]=3 2025 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,1,0,0,0,0|0,1,0]=3 2026 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,1,0,0,0,0|0,1,0]=3 2027 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [1,1,0,0,0,0|1,1,0]=4 2028 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [1,1,0,0,0,0|1,1,0]=4 2029 B7R0.1 CCOCSCC#N 62a_100000739092_100011215382 [1,1,0,0,0,0|0,1,1]=4 2030 B7R0.1 CCOCSCC#N 62a_100011215382_100000739092 [1,1,0,0,0,0|0,1,1]=4 2031 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [1,1,0,0,0,0|0,1,1]=4 2032 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [1,1,0,0,0,0|0,1,1]=4 2033 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [1,1,0,0,0,0|0,1,0]=3 2034 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [1,1,0,0,0,0|0,1,0]=3 2035 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [1,1,0,0,0,0|0,1,0]=3 2036 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [1,1,0,0,0,0|0,1,0]=3 2037 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [1,1,0,0,0,0|0,1,0]=3 2038 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [1,1,0,0,0,0|0,1,0]=3 2039 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [1,1,0,0,0,0|0,1,0]=3 2040 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [1,1,0,0,0,0|0,1,0]=3 2041 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [1,1,0,0,0,0|1,1,0]=4 2042 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [1,1,0,0,0,0|1,1,0]=4 2043 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,1,0,0,0,0|1,1,0]=4 2044 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,1,0,0,0,0|1,1,0]=4 2045 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,1,0,0,0,0|1,1,0]=4 2046 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,1,0,0,0,0|1,1,0]=4 2047 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,1,0,0,0,0|1,1,0]=4 2048 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,1,0,0,0,0|1,1,0]=4 2049 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,1,0,0,0,0|1,1,0]=4 2050 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,1,0,0,0,0|1,1,0]=4 2051 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [1,1,0,0,0,0|1,1,0]=4 2052 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [1,1,0,0,0,0|1,1,0]=4 2053 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [1,1,0,0,0,0|0,2,0]=4 2054 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [1,1,0,0,0,0|0,2,0]=4 2055 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [1,1,0,0,0,0|2,0,0]=4 2056 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [1,1,0,0,0,0|2,0,0]=4 2057 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [1,1,0,0,0,0|2,0,0]=4 2058 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [1,1,0,0,0,0|2,0,0]=4 2059 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [1,1,0,0,0,0|2,0,0]=4 2060 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [1,1,0,0,0,0|2,0,0]=4 2061 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [1,1,0,0,0,0|2,0,0]=4 2062 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [1,1,0,0,0,0|2,0,0]=4 2063 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [1,1,0,0,0,0|2,0,0]=4 2064 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [1,1,0,0,0,0|2,0,0]=4 2065 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [1,1,0,0,0,0|2,0,0]=4 2066 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [1,1,0,0,0,0|2,0,0]=4 2067 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [1,1,0,0,0,0|2,0,0]=4 2068 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [1,1,0,0,0,0|2,0,0]=4 2069 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [1,1,0,0,0,0|2,0,0]=4 2070 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [1,1,0,0,0,0|2,0,0]=4 2071 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [1,1,0,0,0,0|2,0,0]=4 2072 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [1,1,0,0,0,0|2,0,0]=4 2073 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [1,1,0,0,0,0|2,0,0]=4 2074 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [1,1,0,0,0,0|2,0,0]=4 2075 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [1,1,0,0,0,0|2,0,0]=4 2076 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [1,1,0,0,0,0|2,0,0]=4 2077 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [1,1,0,0,0,0|2,0,0]=4 2078 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [1,1,0,0,0,0|2,0,0]=4 2079 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [1,1,0,0,0,0|2,0,0]=4 2080 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [1,1,0,0,0,0|2,0,0]=4 2081 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [1,1,0,0,0,0|2,0,0]=4 2082 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,1,0,0,0,0|2,0,0]=4 2083 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,1,0,0,0,0|2,0,0]=4 2084 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [1,1,0,0,0,0|2,0,0]=4 2085 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [1,1,0,0,0,0|2,0,0]=4 2086 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [1,1,0,0,0,0|2,0,0]=4 2087 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [1,1,0,0,0,0|2,0,0]=4 2088 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [1,1,0,0,0,0|2,0,0]=4 2089 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [1,1,0,0,0,0|2,0,0]=4 2090 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [1,1,0,0,0,0|2,0,0]=4 2091 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [1,1,0,0,0,0|2,0,0]=4 2092 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [1,1,0,0,0,0|2,0,0]=4 2093 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [1,1,0,0,0,0|2,0,0]=4 2094 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [1,1,0,0,0,0|2,0,0]=4 2095 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [1,1,0,0,0,0|2,0,0]=4 2096 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [1,1,0,0,0,0|2,0,0]=4 2097 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [1,1,0,0,0,0|2,0,0]=4 2098 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [1,1,0,0,0,0|2,0,0]=4 2099 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [1,1,0,0,0,0|2,0,0]=4 2100 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [1,1,0,0,0,0|2,0,0]=4 2101 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [1,1,0,0,0,0|2,0,0]=4 2102 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [1,1,0,0,0,0|2,0,0]=4 2103 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [1,1,0,0,0,0|2,0,0]=4 2104 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [1,1,0,0,0,0|2,0,0]=4 2105 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [1,1,0,0,0,0|2,0,0]=4 2106 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [1,1,0,0,0,0|2,0,0]=4 2107 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [1,1,0,0,0,0|2,0,0]=4 2108 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [1,1,0,0,0,0|2,0,0]=4 2109 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [1,1,0,0,0,0|2,0,0]=4 2110 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [1,1,0,0,0,0|2,0,0]=4 2111 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [1,1,0,0,0,0|2,0,0]=4 2112 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [1,1,0,0,0,0|2,0,0]=4 2113 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [1,1,0,0,0,0|2,0,0]=4 2114 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [1,1,0,0,0,0|2,0,0]=4 2115 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [1,1,0,0,0,0|2,0,0]=4 2116 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [1,1,0,0,0,0|2,0,0]=4 2117 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [1,1,0,0,0,0|2,0,0]=4 2118 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [1,1,0,0,0,0|2,0,0]=4 2119 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [1,1,0,0,0,0|2,0,0]=4 2120 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [1,1,0,0,0,0|2,0,0]=4 2121 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [1,1,0,0,0,0|2,0,0]=4 2122 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [1,1,0,0,0,0|2,0,0]=4 2123 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [1,1,0,0,0,0|2,0,0]=4 2124 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [1,1,0,0,0,0|2,0,0]=4 2125 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [1,1,0,0,0,0|2,0,0]=4 2126 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [1,1,0,0,0,0|2,0,0]=4 2127 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [1,1,0,0,0,0|2,0,0]=4 2128 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [1,1,0,0,0,0|2,0,0]=4 2129 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [1,1,0,0,0,0|1,0,1]=4 2130 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [1,1,0,0,0,0|1,0,1]=4 2131 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,1,0,0,0,0|1,0,1]=4 2132 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,1,0,0,0,0|1,0,1]=4 2133 B7R0.4 CC#CCOC(C)C 34a_100000212225_100000748600 [1,1,0,0,0,0|1,0,1]=4 2134 B7R0.4 CC#CCOC(C)C 34a_100000761923_100000210206 [1,1,0,0,0,0|1,0,1]=4 2135 B7R0.4 CC(Br)CCOCF 34a_100009893172_100015361967 [1,1,0,0,0,0|2,0,0]=4 2136 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [1,1,0,0,0,0|2,0,0]=4 2137 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [1,1,0,0,0,0|2,0,0]=4 2138 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [1,1,0,0,0,0|2,0,0]=4 2139 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [1,1,0,0,0,0|2,0,0]=4 2140 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [1,1,0,0,0,0|2,0,0]=4 2141 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [1,1,0,0,0,0|2,0,0]=4 2142 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [1,1,0,0,0,0|2,0,0]=4 2143 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [1,1,0,0,0,0|2,0,0]=4 2144 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [1,1,0,0,0,0|2,0,0]=4 2145 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [1,1,0,0,0,0|2,0,0]=4 2146 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [1,1,0,0,0,0|2,0,0]=4 2147 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [1,1,0,0,0,0|2,0,0]=4 2148 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [1,1,0,0,0,0|2,0,0]=4 2149 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [1,1,0,0,0,0|2,0,0]=4 2150 B7R0.4 CC(C)OCSCF 62a_100000709892_100015361967 [1,1,0,0,0,0|1,1,0]=4 2151 B7R0.4 CC(C)OCSCF 62a_100015361967_100000709892 [1,1,0,0,0,0|1,1,0]=4 2152 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [1,1,0,0,0,0|1,0,1]=4 2153 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,1,0,0,0,0|2,0,0]=4 2154 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,1,0,0,0,0|2,0,0]=4 2155 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,1,0,0,0,0|2,0,0]=4 2156 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,1,0,0,0,0|2,0,0]=4 2157 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,1,0,0,0,0|1,0,0]=3 2158 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,1,0,0,0,0|1,0,0]=3 2159 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,1,0,0,0,0|1,0,0]=3 2160 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,1,0,0,0,0|1,1,0]=4 2161 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,1,0,0,0,0|1,1,0]=4 2162 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,1,0,0,0,0|2,0,0]=4 2163 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,1,0,0,0,0|2,0,0]=4 2164 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,1,0,0,0,0|2,0,0]=4 2165 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,1,0,0,0,0|2,0,0]=4 2166 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [1,1,0,0,0,0|1,0,0]=3 2167 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,1,0,0,0,0|1,0,1]=4 2168 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,1,0,0,0,0|1,0,1]=4 2169 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,1,0,0,0,0|1,0,1]=4 2170 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,1,0,0,0,0|1,0,1]=4 2171 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,1,0,0,0,0|1,0,1]=4 2172 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,1,0,0,0,0|1,0,1]=4 2173 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,1,0,0,0,0|1,0,1]=4 2174 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,1,0,0,0,0|1,0,0]=3 2175 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,1,0,0,0,0|1,0,0]=3 2176 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,1,0,0,0,0|1,0,0]=3 2177 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,1,0,0,0,0|1,0,0]=3 2178 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,1,0,0,0,0|1,0,0]=3 2179 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [1,1,0,0,0,0|2,0,0]=4 2180 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [1,1,0,0,0,0|2,0,0]=4 2181 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [1,1,0,0,0,0|2,0,0]=4 2182 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,1,0,0,0,0|1,0,0]=3 2183 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,1,0,0,0,0|0,0,1]=3 2184 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [1,1,0,0,0,0|0,0,0]=2 2185 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [1,1,0,0,0,0|0,1,0]=3 2186 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [1,1,0,0,0,0|0,1,0]=3 2187 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,1,0,0,0,0|1,1,0]=4 2188 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,1,0,0,0,0|1,1,0]=4 2189 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,1,0,0,0,0|1,1,0]=4 2190 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,1,0,0,0,0|1,1,0]=4 2191 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,1,0,0,0,0|0,1,1]=4 2192 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,1,0,0,0,0|0,1,1]=4 2193 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [1,1,0,0,0,0|0,1,0]=3 2194 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [1,1,0,0,0,0|0,1,0]=3 2195 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [1,1,0,0,0,0|2,0,0]=4 2196 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [1,1,0,0,0,0|2,0,0]=4 2197 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [1,1,0,0,0,0|2,0,0]=4 2198 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [1,1,0,0,0,0|2,0,0]=4 2199 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [1,1,0,0,0,0|2,0,0]=4 2200 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [1,1,0,0,0,0|2,0,0]=4 2201 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [1,1,0,0,0,0|2,0,0]=4 2202 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [1,1,0,0,0,0|2,0,0]=4 2203 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [1,1,0,0,0,0|2,0,0]=4 2204 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [1,1,0,0,0,0|2,0,0]=4 2205 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [1,1,0,0,0,0|2,0,0]=4 2206 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [1,1,0,0,0,0|2,0,0]=4 2207 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [1,1,0,0,0,0|2,0,0]=4 2208 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [1,1,0,0,0,0|2,0,0]=4 2209 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [1,1,0,0,0,0|2,0,0]=4 2210 B7R0.4 C[C@@H](N)CCOCF 34a_100000706166_100015361967 [1,1,0,0,0,0|2,0,0]=4 2211 B9R0.4 C#CCOC(C)CC(C)C 34a_100000210247_100000731052 [0,2,0,0,0,0|1,0,1]=4 2212 B9R0.4 C#CCOC(C)CC(C)C 34a_100000211805_100000184674 [0,2,0,0,0,0|1,0,1]=4 2213 B9R0.4 C#CCOC(C)CC(C)C 7a_100000211805_100000038162 [0,2,0,0,0,0|1,0,1]=4 2214 B9R0.4 C=CCCC(C)OC(C)C 34a_100000765329_100000210206 [0,2,0,0,0,0|1,0,1]=4 2215 B9R0.4 C=CCCC(C)OC(C)C 7a_100000765329_100000210206 [0,2,0,0,0,0|1,0,1]=4 2216 B9R0.4 C=CCOC(C)CC(C)C 34a_100000211805_100015514636 [0,2,0,0,0,0|1,0,1]=4 2217 B9R0.4 C=CCOC(C)CC(C)C 34a_200000210373_100000731052 [0,2,0,0,0,0|1,0,1]=4 2218 B9R0.4 C=CCOC(C)CC(C)C 7a_100000211805_100015514636 [0,2,0,0,0,0|1,0,1]=4 2219 B9R0.4 CC(=CC(C)OCCF)C 34a_100000717055_100011217306 [0,2,0,0,0,0|1,0,1]=4 2220 B9R0.4 CC(=CC(C)OCCO)C 34a_100000717055_100000211926 [0,2,0,0,0,0|1,0,1]=4 2221 B9R0.4 CC(=O)OC(C)SCCF 62a_100009818208_100011217306 [0,2,0,0,0,0|0,1,1]=4 2222 B9R0.4 CC(=O)OC(C)SCCF 62a_100011217306_100009818208 [0,2,0,0,0,0|0,1,1]=4 2223 B9R0.4 CC(=O)OC(C)SCCO 62a_100000211926_100009818208 [0,2,0,0,0,0|0,1,1]=4 2224 B9R0.4 CC(=O)OC(C)SCCO 62a_100009818208_100000211926 [0,2,0,0,0,0|0,1,1]=4 2225 B9R0.4 CC(C)CC(C)NCCF 2230a_100000692259_100011217306 [0,2,0,0,0,0|2,0,0]=4 2226 B9R0.4 CC(C)CC(C)NCCF 34a_100000724931_100000731052 [0,2,0,0,0,0|2,0,0]=4 2227 B9R0.4 CC(C)CC(C)NCCO 2230a_100000692259_100000211926 [0,2,0,0,0,0|2,0,0]=4 2228 B9R0.4 CC(C)CC(C)NCCO 2230a_100016997473_100000731052 [0,2,0,0,0,0|2,0,0]=4 2229 B9R0.4 CC(C)CC(C)NCCO 34a_100016990907_100000731052 [0,2,0,0,0,0|2,0,0]=4 2230 B9R0.4 CC(C)CC(C)OCC#N 7a_100000211805_100011215382 [0,2,0,0,0,0|1,0,1]=4 2231 B9R0.4 CC(C)CC(C)OCC=O 34a_100000211805_200009817547 [0,2,0,0,0,0|1,0,1]=4 2232 B9R0.4 CC(C)CC(C)OCC=O 7a_100000211805_200015260668 [0,2,0,0,0,0|1,0,1]=4 2233 B9R0.4 CC(C)CC(C)OCCBr 34a_100000211926_100000731052 [0,2,0,0,0,0|1,0,0]=3 2234 B9R0.4 CC(C)CC(C)OCCF 34a_100000211805_100011217306 [0,2,0,0,0,0|1,0,0]=3 2235 B9R0.4 CC(C)CC(C)OCCF 7a_100000211805_100011217306 [0,2,0,0,0,0|1,0,0]=3 2236 B9R0.4 CC(C)CC(C)OCCN 34a_100000210304_100000731052 [0,2,0,0,0,0|1,0,0]=3 2237 B9R0.4 CC(C)CC(C)OCCO 34a_100000211805_100000211926 [0,2,0,0,0,0|1,0,0]=3 2238 B9R0.4 CC(C)CC(C)OCCO 7a_100000211805_100000211926 [0,2,0,0,0,0|1,0,0]=3 2239 B9R0.4 CC(C)CC(C)SCCF 62a_100000731052_100011217306 [0,2,0,0,0,0|1,1,0]=4 2240 B9R0.4 CC(C)CC(C)SCCF 62a_100011217306_100000731052 [0,2,0,0,0,0|1,1,0]=4 2241 B9R0.4 CC(C)CC(C)SCCO 62a_100000211926_100000731052 [0,2,0,0,0,0|1,1,0]=4 2242 B9R0.4 CC(C)CC(C)SCCO 62a_100000731052_100000211926 [0,2,0,0,0,0|1,1,0]=4 2243 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [0,2,0,0,0,0|1,0,1]=4 2244 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [0,2,0,0,0,0|1,0,1]=4 2245 B9R0.4 CC(C)OC(C)CCCCl 34a_200000718107_100000210206 [0,2,0,0,0,0|1,0,0]=3 2246 B9R0.4 CC(C)OC(C)CCCCl 7a_200000718107_100000210206 [0,2,0,0,0,0|1,0,0]=3 2247 B9R0.4 CCC#CC(C)OC(C)C 34a_100000033903_100000210206 [0,2,0,0,0,0|1,0,0]=3 2248 B9R0.4 CCC#CC(C)OC(C)C 7a_100000033903_100000210206 [0,2,0,0,0,0|1,0,0]=3 2249 B9R0.4 CCCCC(C)NC(C)C 2230a_100000126638_100000210206 [0,2,0,0,0,0|2,0,0]=4 2250 B9R0.4 CCCCC(C)NC(C)C 2230a_100138425928_200011215066 [0,2,0,0,0,0|2,0,0]=4 2251 B9R0.4 CCCCC(C)NC(C)C 34a_100138425928_200011215066 [0,2,0,0,0,0|2,0,0]=4 2252 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [0,2,0,0,0,0|1,0,0]=3 2253 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [0,2,0,0,0,0|1,0,0]=3 2254 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [0,2,0,0,0,0|1,0,0]=3 2255 B9R0.4 CCCCC(C)SC(C)C 62a_100000210206_200011215066 [0,2,0,0,0,0|1,1,0]=4 2256 B9R0.4 CCCCC(C)SC(C)C 62a_200011215066_100000210206 [0,2,0,0,0,0|1,1,0]=4 2257 B9R0.4 CCCNC(C)CC(C)C 2230a_100000692259_100000210303 [0,2,0,0,0,0|2,0,0]=4 2258 B9R0.4 CCCOC(C)C=C(C)C 34a_100000717055_100000210303 [0,2,0,0,0,0|1,0,1]=4 2259 B9R0.4 CCCOC(C)CC(C)C 34a_100000210258_100000731052 [0,2,0,0,0,0|1,0,0]=3 2260 B9R0.4 CCCOC(C)CC(C)C 34a_100000211805_100000210303 [0,2,0,0,0,0|1,0,0]=3 2261 B9R0.4 CCCOC(C)CC(C)C 7a_100000211805_100000210303 [0,2,0,0,0,0|1,0,0]=3 2262 B9R0.4 CCCSC(C)CC(C)C 62a_100000210303_100000731052 [0,2,0,0,0,0|1,1,0]=4 2263 B9R0.4 CCCSC(C)CC(C)C 62a_100000731052_100000210303 [0,2,0,0,0,0|1,1,0]=4 2264 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [0,2,0,0,0,0|0,1,1]=4 2265 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [0,2,0,0,0,0|0,1,1]=4 2266 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [0,2,0,0,0,0|1,0,1]=4 2267 B9R0.4 CCOCC(C)OC(C)C 34a_100000718985_100000210206 [0,2,0,0,0,0|0,0,0]=2 2268 B9R0.4 CCOCC(C)OC(C)C 7a_100000718985_100000210206 [0,2,0,0,0,0|0,0,0]=2 2269 B9R0.4 CCOCN(C)CC(C)C 269982a_100000747067_100000739092 [0,2,0,0,0,0|2,0,0]=4 2270 B9R0.4 CCOCN(C)CC(C)O 269982a_100000227577_100000739092 [0,2,0,0,0,0|2,0,0]=4 2271 B9R0.4 CCOC[C@@H](N)CC(C)C 34a_100011830311_100000210202 [0,2,0,0,0,0|2,0,0]=4 2272 B9R0.4 COCNC(C)CC(C)C 2230a_100000692259_100000766300 [0,2,0,0,0,0|2,0,0]=4 2273 B9R0.4 COCSC(C)CC(C)C 62a_100000731052_100000766300 [0,2,0,0,0,0|1,1,0]=4 2274 B9R0.4 COCSC(C)CC(C)C 62a_100000766300_100000731052 [0,2,0,0,0,0|1,1,0]=4 2275 B9R0.4 COCSC(C)OC(=O)C 62a_100000766300_100009818208 [0,2,0,0,0,0|0,1,1]=4 2276 B9R0.4 COCSC(C)OC(=O)C 62a_100009818208_100000766300 [0,2,0,0,0,0|0,1,1]=4 2277 B9R0.4 CSCNC(C)CC(C)C 2230a_100000692259_100011218213 [0,2,0,0,0,0|2,0,0]=4 2278 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [0,2,0,0,0,0|1,0,1]=4 2279 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [0,2,0,0,0,0|1,0,1]=4 2280 B9R0.4 CSCOC(C)C=C(C)C 34a_100000717055_100011218213 [0,2,0,0,0,0|1,0,1]=4 2281 B9R0.4 CSCOC(C)CC(C)C 34a_100000211805_100011218213 [0,2,0,0,0,0|1,0,0]=3 2282 B9R0.4 CSCSC(C)CC(C)C 62a_100000731052_100011218213 [0,2,0,0,0,0|1,1,0]=4 2283 B9R0.4 CSCSC(C)CC(C)C 62a_100011218213_100000731052 [0,2,0,0,0,0|1,1,0]=4 2284 B9R0.4 CSCSC(C)OC(=O)C 62a_100009818208_100011218213 [0,2,0,0,0,0|0,1,1]=4 2285 B9R0.4 CSCSC(C)OC(=O)C 62a_100011218213_100009818208 [0,2,0,0,0,0|0,1,1]=4 2286 B9R0.5 C#CCCNC(C)CCC 2230a_100000741246_100000688953 [0,2,0,0,0,0|2,0,0]=4 2287 B9R0.5 C#CCCNC(C)CCC 34a_100000755551_100000766640 [0,2,0,0,0,0|2,0,0]=4 2288 B9R0.5 C#CCCOC(C)/C=C/C 34a_200102604097_100000688953 [0,2,0,0,0,0|1,0,1]=4 2289 B9R0.5 C#CCCOC(C)C#CC 34a_100011216543_100000688953 [0,2,0,0,0,0|1,0,1]=4 2290 B9R0.5 C#CCCOC(C)CCBr 34a_100012276601_100000688953 [0,2,0,0,0,0|2,0,0]=4 2291 B9R0.5 C#CCCOC(C)CCC 34a_100000764384_100000688953 [0,2,0,0,0,0|1,0,0]=3 2292 B9R0.5 C#CCCOC(C)CCC 34a_100011215631_100000766640 [0,2,0,0,0,0|1,0,0]=3 2293 B9R0.5 C#CCCOC(C)CCC 7a_100000764384_100000688953 [0,2,0,0,0,0|1,0,0]=3 2294 B9R0.5 C#CCCOC(C)CCO 34a_100011215631_100009893172 [0,2,0,0,0,0|2,0,0]=4 2295 B9R0.5 C#CCCOC(C)COC 34a_100011215631_100000765312 [0,2,0,0,0,0|2,0,0]=4 2296 B9R0.5 C#CCCO[C@H](C)COC 34a_100011934205_100000688953 [0,2,0,0,0,0|2,0,0]=4 2297 B9R0.5 C#CCCSC(C)CCC 62a_100000688953_100000766640 [0,2,0,0,0,0|1,1,0]=4 2298 B9R0.5 C#CCCSC(C)CCC 62a_100000766640_100000688953 [0,2,0,0,0,0|1,1,0]=4 2299 B9R0.5 C#CCOCC(C)CCC 34a_100000210247_100011216630 [0,2,0,0,0,0|1,0,1]=4 2300 B9R0.5 C#CCOCC(C)CCC 34a_100000688023_100000184674 [0,2,0,0,0,0|1,0,1]=4 2301 B9R0.5 C#CCOCC(C)CCC 7a_100000688023_100000038162 [0,2,0,0,0,0|1,0,1]=4 2302 B9R0.5 C#CCOCC(C)OCC 34a_100011025554_100000210202 [0,2,0,0,0,0|0,0,1]=3 2303 B9R0.5 C#CCOCC(C)OCC 7a_100011025554_100000210202 [0,2,0,0,0,0|0,0,1]=3 2304 B9R0.5 C#CCOCC(C)OCF 34a_100011025554_100015361967 [0,2,0,0,0,0|1,0,1]=4 2305 B9R0.5 C#CCOCC(C)OCF 7a_100011025554_100015361967 [0,2,0,0,0,0|1,0,1]=4 2306 B9R0.5 C/C=C/C(C)OCCCC 34a_200102604097_100000210210 [0,2,0,0,0,0|1,0,1]=4 2307 B9R0.5 C/C=C/C(C)OCCCF 34a_200102604097_100011934791 [0,2,0,0,0,0|1,0,1]=4 2308 B9R0.5 C/C=C/C(C)OCCCO 34a_200102604097_100000230001 [0,2,0,0,0,0|1,0,1]=4 2309 B9R0.5 C/C=C/C(C)OCCOC 34a_200102604097_100011201679 [0,2,0,0,0,0|1,0,1]=4 2310 B9R0.5 C/C=C/C(C)OCCSC 34a_200102604097_100000212216 [0,2,0,0,0,0|1,0,1]=4 2311 B9R0.5 C/C=C/COC(C)/C=C/C 34a_200102604097_100102629194 [0,2,0,0,0,0|1,0,1]=4 2312 B9R0.5 C/C=C/COC(C)CCBr 34a_100012276601_100102629194 [0,2,0,0,0,0|2,0,0]=4 2313 B9R0.5 C/C=C/COC(C)CCC 34a_100000764384_100102629194 [0,2,0,0,0,0|1,0,0]=3 2314 B9R0.5 C/C=C/COC(C)CCC 34a_100016270725_100000766640 [0,2,0,0,0,0|1,0,0]=3 2315 B9R0.5 C/C=C/COC(C)CCC 7a_100000764384_100102629194 [0,2,0,0,0,0|1,0,0]=3 2316 B9R0.5 C/C=C/COC(C)CCO 34a_100016270725_100009893172 [0,2,0,0,0,0|2,0,0]=4 2317 B9R0.5 C/C=C/COC(C)COC 34a_100016270725_100000765312 [0,2,0,0,0,0|2,0,0]=4 2318 B9R0.5 C/C=C/CO[C@H](C)COC 34a_100011934205_100102629194 [0,2,0,0,0,0|2,0,0]=4 2319 B9R0.5 C/C=C/CSC(C)CCC 62a_100000766640_100102629194 [0,2,0,0,0,0|1,1,0]=4 2320 B9R0.5 C/C=C/CSC(C)CCC 62a_100102629194_100000766640 [0,2,0,0,0,0|1,1,0]=4 2321 B9R0.5 C=CCCNC(C)CCC 2230a_100000741246_100000754431 [0,2,0,0,0,0|2,0,0]=4 2322 B9R0.5 C=CCCNC(C)CCC 2230a_100015191253_100000766640 [0,2,0,0,0,0|2,0,0]=4 2323 B9R0.5 C=CCCNC(C)CCC 270004a_100015191253_100000211909 [0,2,0,0,0,0|2,0,0]=4 2324 B9R0.5 C=CCCOC(C)/C=C/C 34a_200102604097_100000754431 [0,2,0,0,0,0|1,0,1]=4 2325 B9R0.5 C=CCCOC(C)C#CC 34a_100011216543_100000754431 [0,2,0,0,0,0|1,0,1]=4 2326 B9R0.5 C=CCCOC(C)CCBr 34a_100012276601_100000754431 [0,2,0,0,0,0|2,0,0]=4 2327 B9R0.5 C=CCCOC(C)CCC 34a_100000764384_100000754431 [0,2,0,0,0,0|1,0,0]=3 2328 B9R0.5 C=CCCOC(C)CCC 34a_100011205117_100000766640 [0,2,0,0,0,0|1,0,0]=3 2329 B9R0.5 C=CCCOC(C)CCC 7a_100000764384_100000754431 [0,2,0,0,0,0|1,0,0]=3 2330 B9R0.5 C=CCCOC(C)CCO 34a_100011205117_100009893172 [0,2,0,0,0,0|2,0,0]=4 2331 B9R0.5 C=CCCOC(C)COC 34a_100011205117_100000765312 [0,2,0,0,0,0|2,0,0]=4 2332 B9R0.5 C=CCCO[C@H](C)COC 34a_100011934205_100000754431 [0,2,0,0,0,0|2,0,0]=4 2333 B9R0.5 C=CCCSC(C)CCC 62a_100000754431_100000766640 [0,2,0,0,0,0|1,1,0]=4 2334 B9R0.5 C=CCCSC(C)CCC 62a_100000766640_100000754431 [0,2,0,0,0,0|1,1,0]=4 2335 B9R0.5 C=CCOCC(C)CCC 34a_100000688023_100015514636 [0,2,0,0,0,0|1,0,1]=4 2336 B9R0.5 C=CCOCC(C)CCC 34a_200000210373_100011216630 [0,2,0,0,0,0|1,0,1]=4 2337 B9R0.5 C=CCOCC(C)CCC 7a_100000688023_100015514636 [0,2,0,0,0,0|1,0,1]=4 2338 B9R0.5 CC#CC(C)OC/C=C/C 34a_100011216543_100102629194 [0,2,0,0,0,0|1,0,1]=4 2339 B9R0.5 CC#CC(C)OCC=CC 34a_100011216543_100000070051 [0,2,0,0,0,0|1,0,1]=4 2340 B9R0.5 CC#CC(C)OCCCC 34a_100011216543_100000210210 [0,2,0,0,0,0|1,0,1]=4 2341 B9R0.5 CC#CC(C)OCCCF 34a_100011216543_100011934791 [0,2,0,0,0,0|1,0,1]=4 2342 B9R0.5 CC#CC(C)OCCCO 34a_100011216543_100000230001 [0,2,0,0,0,0|1,0,1]=4 2343 B9R0.5 CC#CC(C)OCCOC 34a_100011216543_100011201679 [0,2,0,0,0,0|1,0,1]=4 2344 B9R0.5 CC#CC(C)OCCSC 34a_100011216543_100000212216 [0,2,0,0,0,0|1,0,1]=4 2345 B9R0.5 CC#CCNC(C)CCC 2230a_100000685387_100000766640 [0,2,0,0,0,0|2,0,0]=4 2346 B9R0.5 CC#CCNC(C)CCC 2230a_100000741246_100000748600 [0,2,0,0,0,0|2,0,0]=4 2347 B9R0.5 CC#CCNC(C)CCC 34a_100000685387_100000766640 [0,2,0,0,0,0|2,0,0]=4 2348 B9R0.5 CC#CCOC(C)/C=C/C 34a_200102604097_100000748600 [0,2,0,0,0,0|1,0,1]=4 2349 B9R0.5 CC#CCOC(C)C#CC 34a_100011216543_100000748600 [0,2,0,0,0,0|1,0,1]=4 2350 B9R0.5 CC#CCOC(C)CCBr 34a_100012276601_100000748600 [0,2,0,0,0,0|2,0,0]=4 2351 B9R0.5 CC#CCOC(C)CCC 34a_100000761923_100000766640 [0,2,0,0,0,0|1,0,0]=3 2352 B9R0.5 CC#CCOC(C)CCC 34a_100000764384_100000748600 [0,2,0,0,0,0|1,0,0]=3 2353 B9R0.5 CC#CCOC(C)CCC 7a_100000764384_100000748600 [0,2,0,0,0,0|1,0,0]=3 2354 B9R0.5 CC#CCOC(C)CCO 34a_100000761923_100009893172 [0,2,0,0,0,0|2,0,0]=4 2355 B9R0.5 CC#CCOC(C)COC 34a_100000761923_100000765312 [0,2,0,0,0,0|2,0,0]=4 2356 B9R0.5 CC#CCO[C@H](C)COC 34a_100011934205_100000748600 [0,2,0,0,0,0|2,0,0]=4 2357 B9R0.5 CC#CCSC(C)CCC 62a_100000748600_100000766640 [0,2,0,0,0,0|1,1,0]=4 2358 B9R0.5 CC#CCSC(C)CCC 62a_100000766640_100000748600 [0,2,0,0,0,0|1,1,0]=4 2359 B9R0.5 CC(CCBr)OCCCF 34a_100012276601_100011934791 [0,2,0,0,0,0|2,0,0]=4 2360 B9R0.5 CC(CCBr)OCCCO 34a_100012276601_100000230001 [0,2,0,0,0,0|2,0,0]=4 2361 B9R0.5 CC(CCN)COCCF 34a_106354213184_100011217306 [0,2,0,0,0,0|2,0,0]=4 2362 B9R0.5 CC(CCN)COCCO 34a_106354213184_100000211926 [0,2,0,0,0,0|2,0,0]=4 2363 B9R0.5 CC(CCO)OCCCBr 34a_100011217188_100009893172 [0,2,0,0,0,0|2,0,0]=4 2364 B9R0.5 CC(CCO)OCCCCl 34a_100000230001_100009893172 [0,2,0,0,0,0|2,0,0]=4 2365 B9R0.5 CC(CCO)OCCCF 34a_100000759539_100009893172 [0,2,0,0,0,0|2,0,0]=4 2366 B9R0.5 CC(CCO)OCCCN 34a_100000182051_100009893172 [0,2,0,0,0,0|2,0,0]=4 2367 B9R0.5 CC(CCO)OCCON 34a_100000700252_100009893172 [0,2,0,0,0,0|2,0,0]=4 2368 B9R0.5 CC=CCNC(C)CCC 2230a_100000741246_100000070051 [0,2,0,0,0,0|2,0,0]=4 2369 B9R0.5 CC=CCOC(C)/C=C/C 34a_200102604097_100000070051 [0,2,0,0,0,0|1,0,1]=4 2370 B9R0.5 CC=CCOC(C)CCBr 34a_100012276601_100000070051 [0,2,0,0,0,0|2,0,0]=4 2371 B9R0.5 CC=CCOC(C)CCC 34a_100000764384_100000070051 [0,2,0,0,0,0|1,0,0]=3 2372 B9R0.5 CC=CCOC(C)CCC 7a_100000764384_100000070051 [0,2,0,0,0,0|1,0,0]=3 2373 B9R0.5 CC=CCO[C@H](C)COC 34a_100011934205_100000070051 [0,2,0,0,0,0|2,0,0]=4 2374 B9R0.5 CC=CCSC(C)CCC 62a_100000070051_100000766640 [0,2,0,0,0,0|1,1,0]=4 2375 B9R0.5 CC=CCSC(C)CCC 62a_100000766640_100000070051 [0,2,0,0,0,0|1,1,0]=4 2376 B9R0.5 CCC#CCC(C)OCC 34a_200000035118_100000210202 [0,2,0,0,0,0|1,0,0]=3 2377 B9R0.5 CCC#CCC(C)OCC 7a_200000035118_100000210202 [0,2,0,0,0,0|1,0,0]=3 2378 B9R0.5 CCC#CCC(C)OCF 34a_200000035118_100015361967 [0,2,0,0,0,0|2,0,0]=4 2379 B9R0.5 CCC#CCC(C)OCF 7a_200000035118_100015361967 [0,2,0,0,0,0|2,0,0]=4 2380 B9R0.5 CCCC(C)C=NNCC 4a_100000756455_100000243154 [0,2,0,0,0,0|2,0,0]=4 2381 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [0,2,0,0,0,0|2,0,0]=4 2382 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [0,2,0,0,0,0|2,0,0]=4 2383 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [0,2,0,0,0,0|2,0,0]=4 2384 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [0,2,0,0,0,0|2,0,0]=4 2385 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [0,2,0,0,0,0|1,0,0]=3 2386 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [0,2,0,0,0,0|1,0,0]=3 2387 B9R0.5 CCCC(C)CCOCF 34a_100011217855_100015361967 [0,2,0,0,0,0|2,0,0]=4 2388 B9R0.5 CCCC(C)CCOCF 7a_100011217855_100015361967 [0,2,0,0,0,0|2,0,0]=4 2389 B9R0.5 CCCC(C)CNCCF 34a_100000724931_100011216630 [0,2,0,0,0,0|2,0,0]=4 2390 B9R0.5 CCCC(C)CNCCO 2230a_100016997473_100011216630 [0,2,0,0,0,0|2,0,0]=4 2391 B9R0.5 CCCC(C)CNCCO 270004a_100000210304_100000243154 [0,2,0,0,0,0|2,0,0]=4 2392 B9R0.5 CCCC(C)CNCCO 34a_100016990907_100011216630 [0,2,0,0,0,0|2,0,0]=4 2393 B9R0.5 CCCC(C)COCC#N 7a_100000688023_100011215382 [0,2,0,0,0,0|1,0,1]=4 2394 B9R0.5 CCCC(C)COCC=O 34a_100000688023_200009817547 [0,2,0,0,0,0|1,0,1]=4 2395 B9R0.5 CCCC(C)COCC=O 7a_100000688023_200015260668 [0,2,0,0,0,0|1,0,1]=4 2396 B9R0.5 CCCC(C)COCCBr 34a_100000211926_100011216630 [0,2,0,0,0,0|1,0,0]=3 2397 B9R0.5 CCCC(C)COCCF 34a_100000688023_100011217306 [0,2,0,0,0,0|1,0,0]=3 2398 B9R0.5 CCCC(C)COCCF 7a_100000688023_100011217306 [0,2,0,0,0,0|1,0,0]=3 2399 B9R0.5 CCCC(C)COCCN 34a_100000210304_100011216630 [0,2,0,0,0,0|1,0,0]=3 2400 B9R0.5 CCCC(C)COCCO 34a_100000688023_100000211926 [0,2,0,0,0,0|1,0,0]=3 2401 B9R0.5 CCCC(C)COCCO 7a_100000688023_100000211926 [0,2,0,0,0,0|1,0,0]=3 2402 B9R0.5 CCCC(C)COCSC 34a_100000688023_100011218213 [0,2,0,0,0,0|1,0,0]=3 2403 B9R0.5 CCCC(C)CSCCF 62a_100011216630_100011217306 [0,2,0,0,0,0|1,1,0]=4 2404 B9R0.5 CCCC(C)CSCCF 62a_100011217306_100011216630 [0,2,0,0,0,0|1,1,0]=4 2405 B9R0.5 CCCC(C)CSCCO 62a_100000211926_100011216630 [0,2,0,0,0,0|1,1,0]=4 2406 B9R0.5 CCCC(C)CSCCO 62a_100011216630_100000211926 [0,2,0,0,0,0|1,1,0]=4 2407 B9R0.5 CCCC(C)CSCOC 62a_100000766300_100011216630 [0,2,0,0,0,0|1,1,0]=4 2408 B9R0.5 CCCC(C)CSCOC 62a_100011216630_100000766300 [0,2,0,0,0,0|1,1,0]=4 2409 B9R0.5 CCCC(C)CSCSC 62a_100011216630_100011218213 [0,2,0,0,0,0|1,1,0]=4 2410 B9R0.5 CCCC(C)CSCSC 62a_100011218213_100011216630 [0,2,0,0,0,0|1,1,0]=4 2411 B9R0.5 CCCC(C)NCCC#N 2230a_100000741246_100011215226 [0,2,0,0,0,0|2,0,0]=4 2412 B9R0.5 CCCC(C)NCCC#N 270004a_100000720768_100000211909 [0,2,0,0,0,0|2,0,0]=4 2413 B9R0.5 CCCC(C)NCCCF 2230a_100000741246_100011934791 [0,2,0,0,0,0|2,0,0]=4 2414 B9R0.5 CCCC(C)NCCCF 2230a_100015189416_100000766640 [0,2,0,0,0,0|2,0,0]=4 2415 B9R0.5 CCCC(C)NCCCF 270004a_100015189416_100000211909 [0,2,0,0,0,0|2,0,0]=4 2416 B9R0.5 CCCC(C)NCCCF 34a_100015189416_100000766640 [0,2,0,0,0,0|2,0,0]=4 2417 B9R0.5 CCCC(C)NCCCO 2230a_100000741246_100000230001 [0,2,0,0,0,0|2,0,0]=4 2418 B9R0.5 CCCC(C)NCCCO 270004a_100000182051_100000211909 [0,2,0,0,0,0|2,0,0]=4 2419 B9R0.5 CCCC(C)NCCOC 2230a_100000209980_100000766640 [0,2,0,0,0,0|2,0,0]=4 2420 B9R0.5 CCCC(C)NCCOC 2230a_100000741246_100011201679 [0,2,0,0,0,0|2,0,0]=4 2421 B9R0.5 CCCC(C)NCCOC 270004a_100000209980_100000211909 [0,2,0,0,0,0|2,0,0]=4 2422 B9R0.5 CCCC(C)NCCSC 2230a_100000741246_100000751147 [0,2,0,0,0,0|2,0,0]=4 2423 B9R0.5 CCCC(C)NCCSC 2230a_100020590264_100000766640 [0,2,0,0,0,0|2,0,0]=4 2424 B9R0.5 CCCC(C)NCCSC 270004a_100020590264_100000211909 [0,2,0,0,0,0|2,0,0]=4 2425 B9R0.5 CCCC(C)OCCC#N 7a_100000764384_100000184422 [0,2,0,0,0,0|1,0,0]=3 2426 B9R0.5 CCCC(C)OCCCBr 34a_100011217188_100000766640 [0,2,0,0,0,0|1,0,0]=3 2427 B9R0.5 CCCC(C)OCCCCl 34a_100000230001_100000766640 [0,2,0,0,0,0|1,0,0]=3 2428 B9R0.5 CCCC(C)OCCCF 34a_100000759539_100000766640 [0,2,0,0,0,0|1,0,0]=3 2429 B9R0.5 CCCC(C)OCCCF 34a_100000764384_100011934791 [0,2,0,0,0,0|1,0,0]=3 2430 B9R0.5 CCCC(C)OCCCF 7a_100000764384_100011934791 [0,2,0,0,0,0|1,0,0]=3 2431 B9R0.5 CCCC(C)OCCCN 34a_100000182051_100000766640 [0,2,0,0,0,0|1,0,0]=3 2432 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [0,2,0,0,0,0|1,0,0]=3 2433 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [0,2,0,0,0,0|1,0,0]=3 2434 B9R0.5 CCCC(C)OCCOC 34a_100000210237_100000766640 [0,2,0,0,0,0|1,0,0]=3 2435 B9R0.5 CCCC(C)OCCOC 34a_100000764384_100011201679 [0,2,0,0,0,0|1,0,0]=3 2436 B9R0.5 CCCC(C)OCCOC 7a_100000764384_100000233755 [0,2,0,0,0,0|1,0,0]=3 2437 B9R0.5 CCCC(C)OCCON 34a_100000700252_100000766640 [0,2,0,0,0,0|1,0,0]=3 2438 B9R0.5 CCCC(C)OCCSC 34a_100000230434_100000766640 [0,2,0,0,0,0|1,0,0]=3 2439 B9R0.5 CCCC(C)OCCSC 34a_100000764384_100000212216 [0,2,0,0,0,0|1,0,0]=3 2440 B9R0.5 CCCC(C)OCCSC 7a_100000230434_100000766640 [0,2,0,0,0,0|1,0,0]=3 2441 B9R0.5 CCCC(C)OCCSC 7a_100000764384_100000212216 [0,2,0,0,0,0|1,0,0]=3 2442 B9R0.5 CCCC(C)SCCC#N 62a_100000766640_100011215226 [0,2,0,0,0,0|1,1,0]=4 2443 B9R0.5 CCCC(C)SCCC#N 62a_100011215226_100000766640 [0,2,0,0,0,0|1,1,0]=4 2444 B9R0.5 CCCC(C)SCCCF 62a_100000766640_100011934791 [0,2,0,0,0,0|1,1,0]=4 2445 B9R0.5 CCCC(C)SCCCF 62a_100011934791_100000766640 [0,2,0,0,0,0|1,1,0]=4 2446 B9R0.5 CCCC(C)SCCCO 62a_100000766640_100011215043 [0,2,0,0,0,0|1,1,0]=4 2447 B9R0.5 CCCC(C)SCCCO 62a_100011215043_100000766640 [0,2,0,0,0,0|1,1,0]=4 2448 B9R0.5 CCCC(C)SCCOC 62a_100000233755_100000766640 [0,2,0,0,0,0|1,1,0]=4 2449 B9R0.5 CCCC(C)SCCOC 62a_100000766640_100000233755 [0,2,0,0,0,0|1,1,0]=4 2450 B9R0.5 CCCC(C)SCCSC 62a_100000212216_100000766640 [0,2,0,0,0,0|1,1,0]=4 2451 B9R0.5 CCCC(C)SCCSC 62a_100000766640_100000751147 [0,2,0,0,0,0|1,1,0]=4 2452 B9R0.5 CCCC(C)SCOCC 62a_100000739092_100000766640 [0,2,0,0,0,0|1,0,0]=3 2453 B9R0.5 CCCC(C)SCOCC 62a_100000766640_100000739092 [0,2,0,0,0,0|1,0,0]=3 2454 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [0,2,0,0,0,0|2,0,0]=4 2455 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [0,2,0,0,0,0|2,0,0]=4 2456 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [0,2,0,0,0,0|2,0,0]=4 2457 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [0,2,0,0,0,0|1,0,0]=3 2458 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [0,2,0,0,0,0|1,0,0]=3 2459 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [0,2,0,0,0,0|1,0,0]=3 2460 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [0,2,0,0,0,0|2,0,0]=4 2461 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [0,2,0,0,0,0|2,0,0]=4 2462 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [0,2,0,0,0,0|1,1,0]=4 2463 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [0,2,0,0,0,0|1,1,0]=4 2464 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [0,2,0,0,0,0|2,0,0]=4 2465 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [0,2,0,0,0,0|2,0,0]=4 2466 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [0,2,0,0,0,0|2,0,0]=4 2467 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [0,2,0,0,0,0|2,0,0]=4 2468 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [0,2,0,0,0,0|2,0,0]=4 2469 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [0,2,0,0,0,0|1,0,0]=3 2470 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [0,2,0,0,0,0|1,0,0]=3 2471 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [0,2,0,0,0,0|1,0,0]=3 2472 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [0,2,0,0,0,0|1,0,0]=3 2473 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [0,2,0,0,0,0|2,0,0]=4 2474 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [0,2,0,0,0,0|2,0,0]=4 2475 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [0,2,0,0,0,0|2,0,0]=4 2476 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [0,2,0,0,0,0|2,0,0]=4 2477 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [0,2,0,0,0,0|2,0,0]=4 2478 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [0,2,0,0,0,0|1,1,0]=4 2479 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [0,2,0,0,0,0|1,1,0]=4 2480 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [0,2,0,0,0,0|2,0,0]=4 2481 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [0,2,0,0,0,0|2,0,0]=4 2482 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [0,2,0,0,0,0|2,0,0]=4 2483 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,2,0,0,0,0|1,0,1]=4 2484 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [0,2,0,0,0,0|1,0,0]=3 2485 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [0,2,0,0,0,0|1,0,0]=3 2486 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [0,2,0,0,0,0|1,0,0]=3 2487 B9R0.5 CCCOCC(C)CCN 34a_106354213184_100000210303 [0,2,0,0,0,0|2,0,0]=4 2488 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [0,2,0,0,0,0|2,0,0]=4 2489 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [0,2,0,0,0,0|1,1,0]=4 2490 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [0,2,0,0,0,0|1,1,0]=4 2491 B9R0.5 CCCSCC(C)NCC 270004a_100015525214_100011343953 [0,2,0,0,0,0|1,1,0]=4 2492 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [0,2,0,0,0,0|2,0,0]=4 2493 B9R0.5 CCC[C@H](N)COCCF 34a_100000732646_100011217306 [0,2,0,0,0,0|2,0,0]=4 2494 B9R0.5 CCC[C@H](N)COCCO 34a_100000732646_100000211926 [0,2,0,0,0,0|2,0,0]=4 2495 B9R0.5 CCC[C@H](N)COCSC 34a_100000732646_100011218213 [0,2,0,0,0,0|2,0,0]=4 2496 B9R0.5 CCNC(C)CCCC#N 270004a_100015525214_200000032708 [0,2,0,0,0,0|2,0,0]=4 2497 B9R0.5 CCNC(C)CCCSC 270004a_100015525214_100011399439 [0,2,0,0,0,0|2,0,0]=4 2498 B9R0.5 CCNC(C)CCOCC 270004a_100015525214_200011216536 [0,2,0,0,0,0|1,0,0]=3 2499 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,2,0,0,0,0|1,0,1]=4 2500 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,2,0,0,0,0|1,0,1]=4 2501 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,2,0,0,0,0|1,0,1]=4 2502 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [0,2,0,0,0,0|1,0,1]=4 2503 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [0,2,0,0,0,0|1,0,0]=3 2504 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [0,2,0,0,0,0|1,0,0]=3 2505 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,2,0,0,0,0|1,0,1]=4 2506 B9R0.5 CCOCSC(C)CCO 62a_100000739092_100009893172 [0,2,0,0,0,0|2,0,0]=4 2507 B9R0.5 CCOCSC(C)CCO 62a_100009893172_100000739092 [0,2,0,0,0,0|2,0,0]=4 2508 B9R0.5 CCOCSC(C)COC 62a_100000739092_100000765312 [0,2,0,0,0,0|2,0,0]=4 2509 B9R0.5 CCOCSC(C)COC 62a_100000765312_100000739092 [0,2,0,0,0,0|2,0,0]=4 2510 B9R0.5 COCC(C)OCCCBr 34a_100011217188_100000765312 [0,2,0,0,0,0|2,0,0]=4 2511 B9R0.5 COCC(C)OCCCCl 34a_100000230001_100000765312 [0,2,0,0,0,0|2,0,0]=4 2512 B9R0.5 COCC(C)OCCCF 34a_100000759539_100000765312 [0,2,0,0,0,0|2,0,0]=4 2513 B9R0.5 COCC(C)OCCCN 34a_100000182051_100000765312 [0,2,0,0,0,0|2,0,0]=4 2514 B9R0.5 COCC(C)OCCON 34a_100000700252_100000765312 [0,2,0,0,0,0|2,0,0]=4 2515 B9R0.5 COCC(C)OCCSC 34a_100000230434_100000765312 [0,2,0,0,0,0|2,0,0]=4 2516 B9R0.5 COCC(C)OCCSC 7a_100000230434_100000765312 [0,2,0,0,0,0|2,0,0]=4 2517 B9R0.5 COCCCC(C)OCF 34a_200011539412_100015361967 [0,2,0,0,0,0|2,0,0]=4 2518 B9R0.5 COCCCC(C)OCF 7a_200011539412_100015361967 [0,2,0,0,0,0|2,0,0]=4 2519 B9R0.5 COCCOC(C)CCBr 34a_100012276601_100011201679 [0,2,0,0,0,0|2,0,0]=4 2520 B9R0.5 COCCOC(C)CCO 34a_100000210237_100009893172 [0,2,0,0,0,0|2,0,0]=4 2521 B9R0.5 COCCOC(C)COC 34a_100000210237_100000765312 [0,2,0,0,0,0|2,0,0]=4 2522 B9R0.5 COCCO[C@H](C)COC 34a_100011934205_100011201679 [0,2,0,0,0,0|2,0,0]=4 2523 B9R0.5 COC[C@@H](C)OCCCF 34a_100011934205_100011934791 [0,2,0,0,0,0|2,0,0]=4 2524 B9R0.5 COC[C@@H](C)OCCCO 34a_100011934205_100000230001 [0,2,0,0,0,0|2,0,0]=4 2525 B9R0.5 COC[C@@H](C)OCCSC 34a_100011934205_100000212216 [0,2,0,0,0,0|2,0,0]=4 2526 B9R0.5 CSCCOC(C)CCBr 34a_100012276601_100000212216 [0,2,0,0,0,0|2,0,0]=4 2527 B9R0.5 CSCCOC(C)CCO 34a_100000230434_100009893172 [0,2,0,0,0,0|2,0,0]=4 2528 B9R0.5 CSCCOC(C)CCO 7a_100000230434_100009893172 [0,2,0,0,0,0|2,0,0]=4 2529 B9R0.5 CSCOCC(C)CCN 34a_106354213184_100011218213 [0,2,0,0,0,0|2,0,0]=4 2530 B9R0.8 C#CCOC(C)C(C)CC 7a_100011215189_100000038162 [0,2,0,0,0,0|1,0,1]=4 2531 B9R0.8 C=CCOC(C)C(C)CC 7a_100011215189_100015514636 [0,2,0,0,0,0|1,0,1]=4 2532 B9R0.8 CCC(=O)C(C)NCCO 2230a_100016997473_100000742827 [0,2,0,0,0,0|2,0,0]=4 2533 B9R0.8 CCC(=O)C(C)SCCF 62a_100000742827_100011217306 [0,2,0,0,0,0|1,1,0]=4 2534 B9R0.8 CCC(=O)C(C)SCCF 62a_100011217306_100000742827 [0,2,0,0,0,0|1,1,0]=4 2535 B9R0.8 CCC(=O)C(C)SCCO 62a_100000211926_100000742827 [0,2,0,0,0,0|1,1,0]=4 2536 B9R0.8 CCC(=O)C(C)SCCO 62a_100000742827_100000211926 [0,2,0,0,0,0|1,1,0]=4 2537 B9R0.8 CCC(=O)C(C)SCOC 62a_100000742827_100000766300 [0,2,0,0,0,0|1,1,0]=4 2538 B9R0.8 CCC(=O)C(C)SCOC 62a_100000766300_100000742827 [0,2,0,0,0,0|1,1,0]=4 2539 B9R0.8 CCC(=O)C(C)SCSC 62a_100000742827_100011218213 [0,2,0,0,0,0|1,1,0]=4 2540 B9R0.8 CCC(=O)C(C)SCSC 62a_100011218213_100000742827 [0,2,0,0,0,0|1,1,0]=4 2541 B9R0.8 CCC(C)C(C)NCCF 269862a_100000724931_100000210599 [0,2,0,0,0,0|2,0,0]=4 2542 B9R0.8 CCC(C)C(C)NCCO 269862a_100000210304_100000210599 [0,2,0,0,0,0|2,0,0]=4 2543 B9R0.8 CCC(C)C(C)NCCO 270004a_100000210304_100000210599 [0,2,0,0,0,0|2,0,0]=4 2544 B9R0.8 CCC(C)C(C)OCC#N 7a_100011215189_100011215382 [0,2,0,0,0,0|1,0,1]=4 2545 B9R0.8 CCC(C)C(C)OCC=O 7a_100011215189_200015260668 [0,2,0,0,0,0|1,0,1]=4 2546 B9R0.8 CCC(C)C(C)OCCF 7a_100011215189_100011217306 [0,2,0,0,0,0|1,0,0]=3 2547 B9R0.8 CCC(C)C(C)OCCO 7a_100011215189_100000211926 [0,2,0,0,0,0|1,0,0]=3 2548 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,2,0,0,0,0|2,0,0]=4 2549 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,2,0,0,0,0|2,0,0]=4 2550 B9R0.8 CCCCC(C)N(C)CC 2230a_100000225621_200011215066 [0,2,0,0,0,0|2,0,0]=4 2551 B9R0.8 CCCCC(C)N(C)CC 269982a_100000225621_200011215066 [0,2,0,0,0,0|2,0,0]=4 2552 B9R0.8 CCCNC(C)C(C)CC 269862a_100020643023_100000210599 [0,2,0,0,0,0|2,0,0]=4 2553 B9R0.8 CCCNC(C)C(C)CC 270004a_100020643023_100000210599 [0,2,0,0,0,0|2,0,0]=4 2554 B9R0.8 CCCOC(C)C(=O)NC 34a_100000210258_100000731044 [0,2,0,0,0,0|2,0,0]=4 2555 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,2,0,0,0,0|2,0,0]=4 2556 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,2,0,0,0,0|2,0,0]=4 2557 B9R0.8 CCCOC(C)C(C)CC 7a_100011215189_100000210303 [0,2,0,0,0,0|1,0,0]=3 2558 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,2,0,0,0,0|1,1,0]=4 2559 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,2,0,0,0,0|1,1,0]=4 2560 B9R0.8 CCN(C)C(C)COCF 7a_100000732741_100015361967 [0,2,0,0,0,0|2,0,0]=4 2561 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,2,0,0,0,0|2,0,0]=4 2562 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,2,0,0,0,0|2,0,0]=4 2563 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,2,0,0,0,0|2,0,0]=4 2564 B9R0.8 CCOCC(C)N(C)CC 7a_100000732741_100000210202 [0,2,0,0,0,0|1,0,0]=3 2565 B9R0.8 CCOCN(C)C(C)CC 269982a_100000741768_100000739092 [0,2,0,0,0,0|2,0,0]=4 2566 B9R0.8 CNC(=O)C(C)OCCBr 34a_100000211926_100000731044 [0,2,0,0,0,0|2,0,0]=4 2567 B9R0.8 CNC(=O)C(C)OCCN 34a_100000210304_100000731044 [0,2,0,0,0,0|2,0,0]=4 2568 B9R0.8 COC(=O)C(C)OCCBr 34a_100000211926_100000211248 [0,2,0,0,0,0|2,0,0]=4 2569 B9R0.8 COC(=O)C(C)OCCF 34a_100011215400_100011217306 [0,2,0,0,0,0|2,0,0]=4 2570 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [0,2,0,0,0,0|2,0,0]=4 2571 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [0,2,0,0,0,0|2,0,0]=4 2572 B9R0.8 COC(=O)C(C)OCSC 34a_100011215400_100011218213 [0,2,0,0,0,0|2,0,0]=4 2573 B9R0.18 C#CCOC(C)C#CCC 34a_100000033903_100000184674 [0,2,0,0,0,0|1,0,1]=4 2574 B9R0.18 C#CCOC(C)C#CCC 7a_100000033903_100000038162 [0,2,0,0,0,0|1,0,1]=4 2575 B9R0.18 C#CCOC(C)CCCC 34a_100000210247_200011215066 [0,2,0,0,0,0|1,0,1]=4 2576 B9R0.18 C#CCOC(C)CCCC 34a_100000687866_100000184674 [0,2,0,0,0,0|1,0,1]=4 2577 B9R0.18 C#CCOC(C)CCCC 7a_100000687866_100000038162 [0,2,0,0,0,0|1,0,1]=4 2578 B9R0.18 C#CCOC(C)CCCCl 34a_200000718107_100000184674 [0,2,0,0,0,0|1,0,1]=4 2579 B9R0.18 C#CCOC(C)CCCCl 7a_200000718107_100000038162 [0,2,0,0,0,0|1,0,1]=4 2580 B9R0.18 C#CCOC(C)COCC 34a_100000718985_100000184674 [0,2,0,0,0,0|0,0,1]=3 2581 B9R0.18 C#CCOC(C)COCC 34a_200000093152_100000210202 [0,2,0,0,0,0|0,0,1]=3 2582 B9R0.18 C#CCOC(C)COCC 7a_100000718985_100000038162 [0,2,0,0,0,0|0,0,1]=3 2583 B9R0.18 C#CCOC(C)COCC 7a_200000093152_100000210202 [0,2,0,0,0,0|0,0,1]=3 2584 B9R0.18 C#CCOC(C)COCF 34a_200000093152_100015361967 [0,2,0,0,0,0|1,0,1]=4 2585 B9R0.18 C#CCOC(C)COCF 7a_200000093152_100015361967 [0,2,0,0,0,0|1,0,1]=4 2586 B9R0.18 C=C(COCC)OCOC 34a_100121572206_100000042856 [0,2,0,0,0,0|0,0,2]=4 2587 B9R0.18 C=CCCC(C)OCCC 34a_100000765329_100000210303 [0,2,0,0,0,0|1,0,1]=4 2588 B9R0.18 C=CCCC(C)OCCC 7a_100000765329_100000210303 [0,2,0,0,0,0|1,0,1]=4 2589 B9R0.18 C=CCCC(C)OCCF 34a_100000765329_100011217306 [0,2,0,0,0,0|1,0,1]=4 2590 B9R0.18 C=CCCC(C)OCCF 7a_100000765329_100011217306 [0,2,0,0,0,0|1,0,1]=4 2591 B9R0.18 C=CCCC(C)OCCO 34a_100000765329_100000211926 [0,2,0,0,0,0|1,0,1]=4 2592 B9R0.18 C=CCCC(C)OCCO 7a_100000765329_100000211926 [0,2,0,0,0,0|1,0,1]=4 2593 B9R0.18 C=CCCC(C)OCSC 34a_100000765329_100011218213 [0,2,0,0,0,0|1,0,1]=4 2594 B9R0.18 C=CCOC(C)C#CCC 34a_100000033903_100015514636 [0,2,0,0,0,0|1,0,1]=4 2595 B9R0.18 C=CCOC(C)C#CCC 7a_100000033903_100015514636 [0,2,0,0,0,0|1,0,1]=4 2596 B9R0.18 C=CCOC(C)CCCC 34a_100000687866_100015514636 [0,2,0,0,0,0|1,0,1]=4 2597 B9R0.18 C=CCOC(C)CCCC 34a_200000210373_200011215066 [0,2,0,0,0,0|1,0,1]=4 2598 B9R0.18 C=CCOC(C)CCCC 7a_100000687866_100015514636 [0,2,0,0,0,0|1,0,1]=4 2599 B9R0.18 C=CCOC(C)CCCCl 34a_200000718107_100015514636 [0,2,0,0,0,0|1,0,1]=4 2600 B9R0.18 C=CCOC(C)CCCCl 7a_200000718107_100015514636 [0,2,0,0,0,0|1,0,1]=4 2601 B9R0.18 C=CCOC(C)COCC 34a_100000718985_100015514636 [0,2,0,0,0,0|0,0,1]=3 2602 B9R0.18 C=CCOC(C)COCC 7a_100000718985_100015514636 [0,2,0,0,0,0|0,0,1]=3 2603 B9R0.18 CC(CCCCl)OCC#N 7a_200000718107_100011215382 [0,2,0,0,0,0|1,0,1]=4 2604 B9R0.18 CC(CCCCl)OCC=O 34a_200000718107_200009817547 [0,2,0,0,0,0|1,0,1]=4 2605 B9R0.18 CC(CCCCl)OCC=O 7a_200000718107_200015260668 [0,2,0,0,0,0|1,0,1]=4 2606 B9R0.18 CC(CCCCl)OCCF 34a_200000718107_100011217306 [0,2,0,0,0,0|1,0,0]=3 2607 B9R0.18 CC(CCCCl)OCCF 7a_200000718107_100011217306 [0,2,0,0,0,0|1,0,0]=3 2608 B9R0.18 CC(CCCCl)OCCO 34a_200000718107_100000211926 [0,2,0,0,0,0|1,0,0]=3 2609 B9R0.18 CC(CCCCl)OCCO 7a_200000718107_100000211926 [0,2,0,0,0,0|1,0,0]=3 2610 B9R0.18 CCC#CC(C)OCC#N 7a_100000033903_100011215382 [0,2,0,0,0,0|1,0,1]=4 2611 B9R0.18 CCC#CC(C)OCC=O 34a_100000033903_200009817547 [0,2,0,0,0,0|1,0,1]=4 2612 B9R0.18 CCC#CC(C)OCC=O 7a_100000033903_200015260668 [0,2,0,0,0,0|1,0,1]=4 2613 B9R0.18 CCC#CC(C)OCCC 34a_100000033903_100000210303 [0,2,0,0,0,0|1,0,0]=3 2614 B9R0.18 CCC#CC(C)OCCC 7a_100000033903_100000210303 [0,2,0,0,0,0|1,0,0]=3 2615 B9R0.18 CCC#CC(C)OCCF 34a_100000033903_100011217306 [0,2,0,0,0,0|1,0,0]=3 2616 B9R0.18 CCC#CC(C)OCCF 7a_100000033903_100011217306 [0,2,0,0,0,0|1,0,0]=3 2617 B9R0.18 CCC#CC(C)OCCO 34a_100000033903_100000211926 [0,2,0,0,0,0|1,0,0]=3 2618 B9R0.18 CCC#CC(C)OCCO 7a_100000033903_100000211926 [0,2,0,0,0,0|1,0,0]=3 2619 B9R0.18 CCC#CC(C)OCSC 34a_100000033903_100011218213 [0,2,0,0,0,0|1,0,0]=3 2620 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [0,2,0,0,0,0|1,0,0]=3 2621 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [0,2,0,0,0,0|1,0,0]=3 2622 B9R0.18 CCCCC(C)COCF 34a_100011995851_100015361967 [0,2,0,0,0,0|2,0,0]=4 2623 B9R0.18 CCCCC(C)COCF 7a_100011995851_100015361967 [0,2,0,0,0,0|2,0,0]=4 2624 B9R0.18 CCCCC(C)NCCC 2230a_100000126638_100000210303 [0,2,0,0,0,0|2,0,0]=4 2625 B9R0.18 CCCCC(C)NCCC 270004a_100020643023_100000210087 [0,2,0,0,0,0|2,0,0]=4 2626 B9R0.18 CCCCC(C)NCCF 2230a_100000126638_100011217306 [0,2,0,0,0,0|2,0,0]=4 2627 B9R0.18 CCCCC(C)NCCF 34a_100000724931_200011215066 [0,2,0,0,0,0|2,0,0]=4 2628 B9R0.18 CCCCC(C)NCCO 2230a_100000126638_100000211926 [0,2,0,0,0,0|2,0,0]=4 2629 B9R0.18 CCCCC(C)NCCO 2230a_100016997473_200011215066 [0,2,0,0,0,0|2,0,0]=4 2630 B9R0.18 CCCCC(C)NCCO 270004a_100000210304_100000210087 [0,2,0,0,0,0|2,0,0]=4 2631 B9R0.18 CCCCC(C)NCCO 34a_100016990907_200011215066 [0,2,0,0,0,0|2,0,0]=4 2632 B9R0.18 CCCCC(C)NCOC 2230a_100000126638_100000766300 [0,2,0,0,0,0|2,0,0]=4 2633 B9R0.18 CCCCC(C)NCSC 2230a_100000126638_100011218213 [0,2,0,0,0,0|2,0,0]=4 2634 B9R0.18 CCCCC(C)OCC#N 7a_100000687866_100011215382 [0,2,0,0,0,0|1,0,1]=4 2635 B9R0.18 CCCCC(C)OCC=O 34a_100000687866_200009817547 [0,2,0,0,0,0|1,0,1]=4 2636 B9R0.18 CCCCC(C)OCC=O 7a_100000687866_200015260668 [0,2,0,0,0,0|1,0,1]=4 2637 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [0,2,0,0,0,0|1,0,0]=3 2638 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [0,2,0,0,0,0|1,0,0]=3 2639 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [0,2,0,0,0,0|1,0,0]=3 2640 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [0,2,0,0,0,0|1,0,0]=3 2641 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [0,2,0,0,0,0|1,0,0]=3 2642 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [0,2,0,0,0,0|1,0,0]=3 2643 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [0,2,0,0,0,0|1,0,0]=3 2644 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [0,2,0,0,0,0|1,0,0]=3 2645 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [0,2,0,0,0,0|1,0,0]=3 2646 B9R0.18 CCCCC(C)OCSC 34a_100000687866_100011218213 [0,2,0,0,0,0|1,0,0]=3 2647 B9R0.18 CCCCC(C)SCCC 62a_100000210303_200011215066 [0,2,0,0,0,0|1,1,0]=4 2648 B9R0.18 CCCCC(C)SCCC 62a_200011215066_100000210303 [0,2,0,0,0,0|1,1,0]=4 2649 B9R0.18 CCCCC(C)SCCF 62a_100011217306_200011215066 [0,2,0,0,0,0|1,1,0]=4 2650 B9R0.18 CCCCC(C)SCCF 62a_200011215066_100011217306 [0,2,0,0,0,0|1,1,0]=4 2651 B9R0.18 CCCCC(C)SCCO 62a_100000211926_200011215066 [0,2,0,0,0,0|1,1,0]=4 2652 B9R0.18 CCCCC(C)SCCO 62a_200011215066_100000211926 [0,2,0,0,0,0|1,1,0]=4 2653 B9R0.18 CCCCC(C)SCOC 62a_100000766300_200011215066 [0,2,0,0,0,0|1,1,0]=4 2654 B9R0.18 CCCCC(C)SCOC 62a_200011215066_100000766300 [0,2,0,0,0,0|1,1,0]=4 2655 B9R0.18 CCCCC(C)SCSC 62a_100011218213_200011215066 [0,2,0,0,0,0|1,1,0]=4 2656 B9R0.18 CCCCC(C)SCSC 62a_200011215066_100011218213 [0,2,0,0,0,0|1,1,0]=4 2657 B9R0.18 CCCCN(C)COCC 269982a_100000207549_100000739092 [0,2,0,0,0,0|2,0,0]=4 2658 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [0,2,0,0,0,0|2,0,0]=4 2659 B9R0.18 CCCNC(C)CCOC 270004a_100020643023_100000742357 [0,2,0,0,0,0|2,0,0]=4 2660 B9R0.18 CCCNC(C)CCSC 270004a_100020643023_100011217047 [0,2,0,0,0,0|2,0,0]=4 2661 B9R0.18 CCCNC(C)CSCC 270004a_100020643023_200011216171 [0,2,0,0,0,0|1,1,0]=4 2662 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [0,2,0,0,0,0|1,0,1]=4 2663 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [0,2,0,0,0,0|1,0,1]=4 2664 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [0,2,0,0,0,0|1,0,1]=4 2665 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [0,2,0,0,0,0|1,0,1]=4 2666 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [0,2,0,0,0,0|1,0,1]=4 2667 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [0,2,0,0,0,0|1,0,1]=4 2668 B9R0.18 CCCOC(C)CCCCl 34a_200000718107_100000210303 [0,2,0,0,0,0|1,0,0]=3 2669 B9R0.18 CCCOC(C)CCCCl 7a_200000718107_100000210303 [0,2,0,0,0,0|1,0,0]=3 2670 B9R0.18 CCCOC(C)CNCC 2230a_100015185124_100000210202 [0,2,0,0,0,0|1,0,0]=3 2671 B9R0.18 CCCOC(C)CNCC 34a_100015185124_100000210202 [0,2,0,0,0,0|1,0,0]=3 2672 B9R0.18 CCCOC(C)CNCF 34a_100015185124_100015361967 [0,2,0,0,0,0|2,0,0]=4 2673 B9R0.18 CCCOC(C)COCC 34a_100000718985_100000210303 [0,2,0,0,0,0|0,0,0]=2 2674 B9R0.18 CCCOC(C)COCC 7a_100000718985_100000210303 [0,2,0,0,0,0|0,0,0]=2 2675 B9R0.18 CCNCC(O)COCC 2230a_102515437182_100000210202 [0,2,0,0,0,0|2,0,0]=4 2676 B9R0.18 CCNCC(O)COCC 34a_102515437182_100000210202 [0,2,0,0,0,0|2,0,0]=4 2677 B9R0.18 CCNC[C@H](C)CCCO 2230a_100160569302_100000210202 [0,2,0,0,0,0|2,0,0]=4 2678 B9R0.18 CCNC[C@H](C)CCCO 34a_100160569302_100000210202 [0,2,0,0,0,0|2,0,0]=4 2679 B9R0.18 CCOCC(C)OCC#N 7a_100000718985_100011215382 [0,2,0,0,0,0|0,0,1]=3 2680 B9R0.18 CCOCC(C)OCC=O 34a_100000718985_200009817547 [0,2,0,0,0,0|0,0,1]=3 2681 B9R0.18 CCOCC(C)OCC=O 7a_100000718985_200015260668 [0,2,0,0,0,0|0,0,1]=3 2682 B9R0.18 CCOCC(C)OCCF 34a_100000718985_100011217306 [0,2,0,0,0,0|0,0,0]=2 2683 B9R0.18 CCOCC(C)OCCF 7a_100000718985_100011217306 [0,2,0,0,0,0|0,0,0]=2 2684 B9R0.18 CCOCC(C)OCCO 34a_100000718985_100000211926 [0,2,0,0,0,0|0,0,0]=2 2685 B9R0.18 CCOCC(C)OCCO 7a_100000718985_100000211926 [0,2,0,0,0,0|0,0,0]=2 2686 B9R0.18 CCOCC(C)OCSC 34a_100000718985_100011218213 [0,2,0,0,0,0|0,0,0]=2 2687 B9R0.18 CCOCN(C)CCCO 269982a_100000213112_100000739092 [0,2,0,0,0,0|2,0,0]=4 2688 B9R0.18 CCOCN(C)CCOC 269982a_100000743101_100000739092 [0,2,0,0,0,0|2,0,0]=4 2689 B9R0.18 CCOCN(C)CCSC 269982a_100000686725_100000739092 [0,2,0,0,0,0|2,0,0]=4 2690 B9R0.18 CCOC[C@@H](C)OCOC 34a_100016172286_100000210202 [0,2,0,0,0,0|0,0,0]=2 2691 B9R0.18 CCOC[C@@H](C)OCOC 7a_100016172286_100000210202 [0,2,0,0,0,0|0,0,0]=2 2692 B9R0.18 CCOC[C@@H](N)CCSC 34a_100011827619_100000210202 [0,2,0,0,0,0|2,0,0]=4 2693 B9R0.18 CCSCC(C)NCCO 270004a_100000210304_200011216171 [0,2,0,0,0,0|1,1,0]=4 2694 B9R0.18 COCCC(C)NCCO 270004a_100000210304_100000742357 [0,2,0,0,0,0|2,0,0]=4 2695 B9R0.18 COCO[C@H](C)COCF 34a_100016172286_100015361967 [0,2,0,0,0,0|1,0,0]=3 2696 B9R0.18 COCO[C@H](C)COCF 7a_100016172286_100015361967 [0,2,0,0,0,0|1,0,0]=3 2697 B9R0.18 CSCCC(C)NCCO 270004a_100000210304_100011217047 [0,2,0,0,0,0|2,0,0]=4 2698 B9R0.18 CSCOC(C)CCCCl 34a_200000718107_100011218213 [0,2,0,0,0,0|1,0,0]=3 2699 B9R0.34 C#CC(C)NC(C)CCC 2230a_100000707721_100000766640 [0,2,0,0,0,0|2,0,0]=4 2700 B9R0.34 C#CC(C)NC(C)CCC 270004a_100000707721_100000211909 [0,2,0,0,0,0|2,0,0]=4 2701 B9R0.34 C#CC(C)NC(C)CCC 34a_100000707721_100000766640 [0,2,0,0,0,0|2,0,0]=4 2702 B9R0.34 C#CC(C)OC(C)/C=C/C 34a_200102604097_200000035995 [0,2,0,0,0,0|1,0,1]=4 2703 B9R0.34 C#CC(C)OC(C)C#CC 34a_100011216543_200000035995 [0,2,0,0,0,0|1,0,1]=4 2704 B9R0.34 C#CC(C)OC(C)CCBr 34a_100012276601_200000035995 [0,2,0,0,0,0|2,0,0]=4 2705 B9R0.34 C#CC(C)OC(C)CCC 34a_100000764384_200000035995 [0,2,0,0,0,0|1,0,0]=3 2706 B9R0.34 C#CC(C)O[C@H](C)COC 34a_100011934205_200000035995 [0,2,0,0,0,0|2,0,0]=4 2707 B9R0.34 C#CC(C)SC(C)CCC 62a_200000035995_100000766640 [0,2,0,0,0,0|1,1,0]=4 2708 B9R0.34 C#C[C@@H](C)OC(C)CCC 34a_100009815206_100000766640 [0,2,0,0,0,0|1,0,0]=3 2709 B9R0.34 C#C[C@@H](C)OC(C)CCC 7a_100009815206_100000766640 [0,2,0,0,0,0|1,0,0]=3 2710 B9R0.34 C#C[C@@H](C)OC(C)CCO 34a_100009815206_100009893172 [0,2,0,0,0,0|2,0,0]=4 2711 B9R0.34 C#C[C@@H](C)OC(C)CCO 7a_100009815206_100009893172 [0,2,0,0,0,0|2,0,0]=4 2712 B9R0.34 C#C[C@@H](C)OC(C)COC 34a_100009815206_100000765312 [0,2,0,0,0,0|2,0,0]=4 2713 B9R0.34 C#C[C@@H](C)OC(C)COC 7a_100009815206_100000765312 [0,2,0,0,0,0|2,0,0]=4 2714 B9R0.34 C/C=C/C(C)OC(C)CC 34a_200102604097_100011215416 [0,2,0,0,0,0|1,0,1]=4 2715 B9R0.34 C/C=C/C(C)OC(C)CO 34a_200102604097_100012180447 [0,2,0,0,0,0|1,0,1]=4 2716 B9R0.34 C=CC(C)OC(C)CCC 34a_100000695699_100000766640 [0,2,0,0,0,0|1,0,0]=3 2717 B9R0.34 C=CC(C)OC(C)CCO 34a_100000695699_100009893172 [0,2,0,0,0,0|2,0,0]=4 2718 B9R0.34 C=CC(C)OC(C)COC 34a_100000695699_100000765312 [0,2,0,0,0,0|2,0,0]=4 2719 B9R0.34 C=CC(C)SC(C)CCC 62a_100011215867_100000766640 [0,2,0,0,0,0|1,1,0]=4 2720 B9R0.34 CC#CC(C)OC(C)CC 34a_100011216543_100011215416 [0,2,0,0,0,0|1,0,1]=4 2721 B9R0.34 CC#CC(C)OC(C)CO 34a_100011216543_100012180447 [0,2,0,0,0,0|1,0,1]=4 2722 B9R0.34 CC(C#N)OC(C)CCO 34a_100011218135_100009893172 [0,2,0,0,0,0|2,0,0]=4 2723 B9R0.34 CC(CF)OC(C)CCO 34a_100016041109_100009893172 [0,2,0,0,0,0|2,0,0]=4 2724 B9R0.34 CC(CF)OC(C)CCO 7a_100016041109_100009893172 [0,2,0,0,0,0|2,0,0]=4 2725 B9R0.34 CC(CN)OC(C)CCO 34a_100000210904_100009893172 [0,2,0,0,0,0|2,0,0]=4 2726 B9R0.34 CC(CO)OC(C)CCBr 34a_100012276601_100012180447 [0,2,0,0,0,0|2,0,0]=4 2727 B9R0.34 CCC(C)OC(C)CCBr 34a_100012276601_100011215416 [0,2,0,0,0,0|2,0,0]=4 2728 B9R0.34 CCC(C)OC(C)CCO 7a_100000210228_100009893172 [0,2,0,0,0,0|2,0,0]=4 2729 B9R0.34 CCC(C)OC(C)COC 7a_100000210228_100000765312 [0,2,0,0,0,0|2,0,0]=4 2730 B9R0.34 CCC(C)O[C@H](C)COC 34a_100011934205_100011215416 [0,2,0,0,0,0|2,0,0]=4 2731 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,2,0,0,0,0|2,0,0]=4 2732 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,2,0,0,0,0|2,0,0]=4 2733 B9R0.34 CCCC(C)CN(C)CC 2230a_100000225621_100011216630 [0,2,0,0,0,0|2,0,0]=4 2734 B9R0.34 CCCC(C)CN(C)CC 269982a_100000225621_100011216630 [0,2,0,0,0,0|2,0,0]=4 2735 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [0,2,0,0,0,0|2,0,0]=4 2736 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [0,2,0,0,0,0|2,0,0]=4 2737 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [0,2,0,0,0,0|2,0,0]=4 2738 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [0,2,0,0,0,0|2,0,0]=4 2739 B9R0.34 CCCC(C)NC(C)C#N 2230a_100000737613_100000766640 [0,2,0,0,0,0|2,0,0]=4 2740 B9R0.34 CCCC(C)NC(C)C#N 2230a_100000741246_100000184139 [0,2,0,0,0,0|2,0,0]=4 2741 B9R0.34 CCCC(C)NC(C)CC 2230a_100000209981_100000766640 [0,2,0,0,0,0|2,0,0]=4 2742 B9R0.34 CCCC(C)NC(C)CC 2230a_100000741246_100000758301 [0,2,0,0,0,0|2,0,0]=4 2743 B9R0.34 CCCC(C)NC(C)CC 270004a_100000209981_100000211909 [0,2,0,0,0,0|2,0,0]=4 2744 B9R0.34 CCCC(C)NC(C)CO 2230a_100000741246_100012180447 [0,2,0,0,0,0|2,0,0]=4 2745 B9R0.34 CCCC(C)N[C@H](C)CF 270004a_100102880703_100000211909 [0,2,0,0,0,0|2,0,0]=4 2746 B9R0.34 CCCC(C)N[C@H](C)CO 2230a_100000737577_100000766640 [0,2,0,0,0,0|2,0,0]=4 2747 B9R0.34 CCCC(C)N[C@H](C)CO 270004a_100000737577_100000211909 [0,2,0,0,0,0|2,0,0]=4 2748 B9R0.34 CCCC(C)OC(C)C#N 34a_100011218135_100000766640 [0,2,0,0,0,0|1,0,0]=3 2749 B9R0.34 CCCC(C)OC(C)C#N 7a_100000764384_100000703298 [0,2,0,0,0,0|1,0,0]=3 2750 B9R0.34 CCCC(C)OC(C)CC 34a_100000764384_100011215416 [0,2,0,0,0,0|1,0,0]=3 2751 B9R0.34 CCCC(C)OC(C)CC 7a_100000210228_100000766640 [0,2,0,0,0,0|1,0,0]=3 2752 B9R0.34 CCCC(C)OC(C)CC 7a_100000764384_100000758301 [0,2,0,0,0,0|1,0,0]=3 2753 B9R0.34 CCCC(C)OC(C)CF 34a_100016041109_100000766640 [0,2,0,0,0,0|1,0,0]=3 2754 B9R0.34 CCCC(C)OC(C)CF 7a_100016041109_100000766640 [0,2,0,0,0,0|1,0,0]=3 2755 B9R0.34 CCCC(C)OC(C)CN 34a_100000210904_100000766640 [0,2,0,0,0,0|1,0,0]=3 2756 B9R0.34 CCCC(C)OC(C)CO 34a_100000764384_100012180447 [0,2,0,0,0,0|1,0,0]=3 2757 B9R0.34 CCCC(C)OC(C)CO 7a_100000764384_100012180447 [0,2,0,0,0,0|1,0,0]=3 2758 B9R0.34 CCCC(C)SC(C)C#N 62a_100000703298_100000766640 [0,2,0,0,0,0|1,1,0]=4 2759 B9R0.34 CCCC(C)SC(C)C#N 62a_100000766640_100000703298 [0,2,0,0,0,0|1,1,0]=4 2760 B9R0.34 CCCC(C)SC(C)CC 62a_100000758301_100000766640 [0,2,0,0,0,0|1,1,0]=4 2761 B9R0.34 CCCC(C)SC(C)CC 62a_100000766640_100000758301 [0,2,0,0,0,0|1,1,0]=4 2762 B9R0.34 CCCC(C)SC(C)CO 62a_100012180447_100000766640 [0,2,0,0,0,0|1,1,0]=4 2763 B9R0.34 CCCC(C)SC(C)OC 62a_100000766640_100009879195 [0,2,0,0,0,0|1,1,0]=4 2764 B9R0.34 CCCC(C)SC(C)OC 62a_100009879195_100000766640 [0,2,0,0,0,0|1,1,0]=4 2765 B9R0.34 CCCC(C)S[C@H](C)CO 62a_100000766640_100016084084 [0,2,0,0,0,0|1,1,0]=4 2766 B9R0.34 CCCC(C)S[C@H](C)CO 62a_100016084084_100000766640 [0,2,0,0,0,0|1,1,0]=4 2767 B9R0.34 CCNC(C)CC(C)CC 2230a_100000763565_100000210202 [0,2,0,0,0,0|2,0,0]=4 2768 B9R0.34 CCNC(C)CC(C)CC 270004a_100015525214_100011710205 [0,2,0,0,0,0|2,0,0]=4 2769 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [0,2,0,0,0,0|1,0,1]=4 2770 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [0,2,0,0,0,0|1,0,1]=4 2771 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [0,2,0,0,0,0|1,0,1]=4 2772 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [0,2,0,0,0,0|1,0,1]=4 2773 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [0,2,0,0,0,0|1,0,1]=4 2774 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [0,2,0,0,0,0|1,1,0]=4 2775 B9R0.34 COCC(C)OC(C)C#N 34a_100011218135_100000765312 [0,2,0,0,0,0|2,0,0]=4 2776 B9R0.34 COCC(C)OC(C)CF 34a_100016041109_100000765312 [0,2,0,0,0,0|2,0,0]=4 2777 B9R0.34 COCC(C)OC(C)CF 7a_100016041109_100000765312 [0,2,0,0,0,0|2,0,0]=4 2778 B9R0.34 COCC(C)OC(C)CN 34a_100000210904_100000765312 [0,2,0,0,0,0|2,0,0]=4 2779 B9R0.34 COC[C@@H](C)OC(C)CO 34a_100011934205_100012180447 [0,2,0,0,0,0|2,0,0]=4 2780 B9R0.35 C#CCC(=O)C(C)OCC 1458a_100000739345_100000184674 [0,2,0,0,0,0|1,0,1]=4 2781 B9R0.35 C=CCC(=O)C(C)OCC 1458a_100000739345_100000210623 [0,2,0,0,0,0|1,0,1]=4 2782 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,2,0,0,0,0|2,0,0]=4 2783 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,2,0,0,0,0|2,0,0]=4 2784 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,2,0,0,0,0|1,0,0]=3 2785 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [0,2,0,0,0,0|1,1,0]=4 2786 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [0,2,0,0,0,0|2,0,0]=4 2787 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [0,2,0,0,0,0|2,0,0]=4 2788 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [0,2,0,0,0,0|2,0,0]=4 2789 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [0,2,0,0,0,0|2,0,0]=4 2790 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [0,2,0,0,0,0|2,0,0]=4 2791 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,2,0,0,0,0|2,0,0]=4 2792 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,2,0,0,0,0|2,0,0]=4 2793 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,2,0,0,0,0|2,0,0]=4 2794 B9R0.35 CCCC(C)C(C)NCC 270004a_100015525214_100011216282 [0,2,0,0,0,0|2,0,0]=4 2795 B9R0.35 CCCC(C)C(C)OCC 34a_100000708338_100000210202 [0,2,0,0,0,0|1,0,0]=3 2796 B9R0.35 CCCC(C)C(C)OCC 7a_100000708338_100000210202 [0,2,0,0,0,0|1,0,0]=3 2797 B9R0.35 CCCC(C)C(C)OCF 34a_100000708338_100015361967 [0,2,0,0,0,0|2,0,0]=4 2798 B9R0.35 CCCC(C)C(C)OCF 7a_100000708338_100015361967 [0,2,0,0,0,0|2,0,0]=4 2799 B9R0.35 CCCC(C)N(C)CCC 2230a_100000747261_100000766640 [0,2,0,0,0,0|2,0,0]=4 2800 B9R0.35 CCCC(C)N(C)CCC 269982a_100000747261_100000766640 [0,2,0,0,0,0|2,0,0]=4 2801 B9R0.35 CCCC(C)N(C)CCC 270004a_100000747261_100000211909 [0,2,0,0,0,0|2,0,0]=4 2802 B9R0.35 CCCC(C)N(C)CCO 2230a_100000210263_100000766640 [0,2,0,0,0,0|2,0,0]=4 2803 B9R0.35 CCCC(C)N(C)CCO 269982a_100000210263_100000766640 [0,2,0,0,0,0|2,0,0]=4 2804 B9R0.35 CCCC(C)N(C)CCO 270004a_100000210263_100000211909 [0,2,0,0,0,0|2,0,0]=4 2805 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [0,2,0,0,0,0|2,0,0]=4 2806 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [0,2,0,0,0,0|2,0,0]=4 2807 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [0,2,0,0,0,0|2,0,0]=4 2808 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [0,2,0,0,0,0|1,0,0]=3 2809 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [0,2,0,0,0,0|1,0,0]=3 2810 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [0,2,0,0,0,0|1,0,0]=3 2811 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [0,2,0,0,0,0|1,0,0]=3 2812 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [0,2,0,0,0,0|1,1,0]=4 2813 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [0,2,0,0,0,0|1,1,0]=4 2814 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [0,2,0,0,0,0|1,1,0]=4 2815 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [0,2,0,0,0,0|1,1,0]=4 2816 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [0,2,0,0,0,0|1,1,0]=4 2817 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,2,0,0,0,0|1,0,0]=3 2818 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,2,0,0,0,0|2,0,0]=4 2819 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [0,2,0,0,0,0|1,1,0]=4 2820 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,2,0,0,0,0|0,0,0]=2 2821 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,2,0,0,0,0|0,1,0]=3 2822 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,2,0,0,0,0|0,1,0]=3 2823 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [0,2,0,0,0,0|1,1,0]=4 2824 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [0,2,0,0,0,0|1,1,0]=4 2825 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,2,0,0,0,0|1,0,0]=3 2826 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,2,0,0,0,0|1,1,0]=4 2827 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,2,0,0,0,0|1,1,0]=4 2828 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,2,0,0,0,0|0,0,0]=2 2829 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [0,2,0,0,0,0|1,0,0]=3 2830 B9R0.35 CCOC(C)C(=O)CC#N 1458a_100000739345_100011214920 [0,2,0,0,0,0|1,0,1]=4 2831 B9R0.35 CCOC(C)C(=O)CCF 1458a_100000739345_100011217306 [0,2,0,0,0,0|1,0,0]=3 2832 B9R0.35 CCOC(C)C(=O)CCO 1458a_100000739345_100000211926 [0,2,0,0,0,0|1,0,0]=3 2833 B9R0.35 CCOC(C)C(=O)NNC 22a_100016993582_100000739345 [0,2,0,0,0,0|2,0,0]=4 2834 B9R0.35 CCSC(C)C(=O)CCF 1458a_100000230601_100011217306 [0,2,0,0,0,0|1,1,0]=4 2835 B9R0.35 CCSC(C)C(=O)CCO 1458a_100000230601_100000211926 [0,2,0,0,0,0|1,1,0]=4 2836 B9R0.40 C#CC(CCC)OCCC 34a_200011217317_100000210303 [0,2,0,0,0,0|1,0,1]=4 2837 B9R0.40 C#CC(CCC)OCCC 7a_200011217317_100000210303 [0,2,0,0,0,0|1,0,1]=4 2838 B9R0.40 C#CC(CCC)OCCF 34a_200011217317_100011217306 [0,2,0,0,0,0|1,0,1]=4 2839 B9R0.40 C#CC(CCC)OCCF 7a_200011217317_100011217306 [0,2,0,0,0,0|1,0,1]=4 2840 B9R0.40 C#CC(CCC)OCCO 34a_200011217317_100000211926 [0,2,0,0,0,0|1,0,1]=4 2841 B9R0.40 C#CC(CCC)OCCO 7a_200011217317_100000211926 [0,2,0,0,0,0|1,0,1]=4 2842 B9R0.40 C#CC(CCC)OCSC 34a_200011217317_100011218213 [0,2,0,0,0,0|1,0,1]=4 2843 B9R0.40 C#CC(CCCC)OCC 34a_200011217967_100000210202 [0,2,0,0,0,0|1,0,1]=4 2844 B9R0.40 C#CC(CCCC)OCC 7a_200011217967_100000210202 [0,2,0,0,0,0|1,0,1]=4 2845 B9R0.40 C#CCOC(CC)CCC 34a_100000687864_100000184674 [0,2,0,0,0,0|1,0,1]=4 2846 B9R0.40 C#CCOC(CC)CCC 7a_100000687864_100000038162 [0,2,0,0,0,0|1,0,1]=4 2847 B9R0.40 C=CC(CCC)OCCC 34a_100011216692_100000210303 [0,2,0,0,0,0|1,0,1]=4 2848 B9R0.40 C=CC(CCC)OCCC 7a_100011216692_100000210303 [0,2,0,0,0,0|1,0,1]=4 2849 B9R0.40 C=CC(CCC)OCCF 34a_100011216692_100011217306 [0,2,0,0,0,0|1,0,1]=4 2850 B9R0.40 C=CC(CCC)OCCF 7a_100011216692_100011217306 [0,2,0,0,0,0|1,0,1]=4 2851 B9R0.40 C=CC(CCC)OCCO 34a_100011216692_100000211926 [0,2,0,0,0,0|1,0,1]=4 2852 B9R0.40 C=CC(CCC)OCCO 7a_100011216692_100000211926 [0,2,0,0,0,0|1,0,1]=4 2853 B9R0.40 C=CC(CCC)OCSC 34a_100011216692_100011218213 [0,2,0,0,0,0|1,0,1]=4 2854 B9R0.40 C=CC(CCCC)OCC 34a_200011215037_100000210202 [0,2,0,0,0,0|1,0,1]=4 2855 B9R0.40 C=CC(CCCC)OCC 7a_200011215037_100000210202 [0,2,0,0,0,0|1,0,1]=4 2856 B9R0.40 C=CCOC(CC)CCC 34a_100000687864_100015514636 [0,2,0,0,0,0|1,0,1]=4 2857 B9R0.40 C=CCOC(CC)CCC 7a_100000687864_100015514636 [0,2,0,0,0,0|1,0,1]=4 2858 B9R0.40 CC#CC(CC)OCCC 34a_200011219922_100000210303 [0,2,0,0,0,0|1,0,1]=4 2859 B9R0.40 CC#CC(CC)OCCC 7a_200011219922_100000210303 [0,2,0,0,0,0|1,0,1]=4 2860 B9R0.40 CC#CC(CC)OCCF 34a_200011219922_100011217306 [0,2,0,0,0,0|1,0,1]=4 2861 B9R0.40 CC#CC(CC)OCCF 7a_200011219922_100011217306 [0,2,0,0,0,0|1,0,1]=4 2862 B9R0.40 CC#CC(CC)OCCO 34a_200011219922_100000211926 [0,2,0,0,0,0|1,0,1]=4 2863 B9R0.40 CC#CC(CC)OCCO 7a_200011219922_100000211926 [0,2,0,0,0,0|1,0,1]=4 2864 B9R0.40 CC#CC(CC)OCSC 34a_200011219922_100011218213 [0,2,0,0,0,0|1,0,1]=4 2865 B9R0.40 CCC(COC)OCCF 7a_200011214946_100011217306 [0,2,0,0,0,0|2,0,0]=4 2866 B9R0.40 CCC(COC)OCCO 7a_200011214946_100000211926 [0,2,0,0,0,0|2,0,0]=4 2867 B9R0.40 CCCC(C#N)OCCF 34a_100000686963_100011217306 [0,2,0,0,0,0|1,0,1]=4 2868 B9R0.40 CCCC(C#N)OCCF 7a_100000686963_100011217306 [0,2,0,0,0,0|1,0,1]=4 2869 B9R0.40 CCCC(C#N)OCCO 34a_100000686963_100000211926 [0,2,0,0,0,0|1,0,1]=4 2870 B9R0.40 CCCC(C#N)OCCO 7a_100000686963_100000211926 [0,2,0,0,0,0|1,0,1]=4 2871 B9R0.40 CCCC(C#N)OCSC 34a_100000686963_100011218213 [0,2,0,0,0,0|1,0,1]=4 2872 B9R0.40 CCCC(CC)NCCF 2230a_100000747048_100011217306 [0,2,0,0,0,0|2,0,0]=4 2873 B9R0.40 CCCC(CC)NCCO 2230a_100000747048_100000211926 [0,2,0,0,0,0|2,0,0]=4 2874 B9R0.40 CCCC(CC)NCCO 270004a_100000210304_100000687865 [0,2,0,0,0,0|2,0,0]=4 2875 B9R0.40 CCCC(CC)NCOC 2230a_100000747048_100000766300 [0,2,0,0,0,0|2,0,0]=4 2876 B9R0.40 CCCC(CC)NCSC 2230a_100000747048_100011218213 [0,2,0,0,0,0|2,0,0]=4 2877 B9R0.40 CCCC(CC)OCC#N 7a_100000687864_100011215382 [0,2,0,0,0,0|1,0,1]=4 2878 B9R0.40 CCCC(CC)OCC=O 34a_100000687864_200009817547 [0,2,0,0,0,0|1,0,1]=4 2879 B9R0.40 CCCC(CC)OCC=O 7a_100000687864_200015260668 [0,2,0,0,0,0|1,0,1]=4 2880 B9R0.40 CCCC(CC)OCCF 34a_100000687864_100011217306 [0,2,0,0,0,0|1,0,0]=3 2881 B9R0.40 CCCC(CC)OCCF 7a_100000687864_100011217306 [0,2,0,0,0,0|1,0,0]=3 2882 B9R0.40 CCCC(CC)OCCO 34a_100000687864_100000211926 [0,2,0,0,0,0|1,0,0]=3 2883 B9R0.40 CCCC(CC)OCCO 7a_100000687864_100000211926 [0,2,0,0,0,0|1,0,0]=3 2884 B9R0.40 CCCC(CC)OCSC 34a_100000687864_100011218213 [0,2,0,0,0,0|1,0,0]=3 2885 B9R0.40 CCCC(CC)SCCF 62a_100011217306_100011219200 [0,2,0,0,0,0|1,1,0]=4 2886 B9R0.40 CCCC(CC)SCCF 62a_100011219200_100011217306 [0,2,0,0,0,0|1,1,0]=4 2887 B9R0.40 CCCC(CC)SCCO 62a_100000211926_100011219200 [0,2,0,0,0,0|1,1,0]=4 2888 B9R0.40 CCCC(CC)SCCO 62a_100011219200_100000211926 [0,2,0,0,0,0|1,1,0]=4 2889 B9R0.40 CCCC(CC)SCOC 62a_100000766300_100011219200 [0,2,0,0,0,0|1,1,0]=4 2890 B9R0.40 CCCC(CC)SCOC 62a_100011219200_100000766300 [0,2,0,0,0,0|1,1,0]=4 2891 B9R0.40 CCCC(CC)SCSC 62a_100011218213_100011219200 [0,2,0,0,0,0|1,1,0]=4 2892 B9R0.40 CCCC(CC)SCSC 62a_100011219200_100011218213 [0,2,0,0,0,0|1,1,0]=4 2893 B9R0.40 CCCC(CCOC)SC 34a_100000032865_200000210301 [0,2,0,0,0,0|2,0,0]=4 2894 B9R0.40 CCCC(CCOC)SC 7a_100000032865_200000210301 [0,2,0,0,0,0|2,0,0]=4 2895 B9R0.40 CCCC(CCO[13CH3])SC 34a_100000032865_200025704644 [0,2,0,0,0,0|2,0,0]=4 2896 B9R0.40 CCCC(CCO[13CH3])SC 7a_100000032865_200025704644 [0,2,0,0,0,0|2,0,0]=4 2897 B9R0.40 CCCCC(CC)NCC 270004a_100015525214_100000753412 [0,2,0,0,0,0|2,0,0]=4 2898 B9R0.40 CCCCC(CC)OCC 34a_100011215227_100000210202 [0,2,0,0,0,0|1,0,0]=3 2899 B9R0.40 CCCCC(CC)OCC 34a_100121572206_200011216223 [0,2,0,0,0,0|1,0,0]=3 2900 B9R0.40 CCCCC(CC)OCC 7a_100011215227_100000210202 [0,2,0,0,0,0|1,0,0]=3 2901 B9R0.40 CCCCC(CC)OCF 34a_100011215227_100015361967 [0,2,0,0,0,0|2,0,0]=4 2902 B9R0.40 CCCCC(CC)OCF 7a_100011215227_100015361967 [0,2,0,0,0,0|2,0,0]=4 2903 B9R0.40 CCCCC(CC)SCC 62a_100000210202_200011216223 [0,2,0,0,0,0|1,1,0]=4 2904 B9R0.40 CCCCC(CC)SCC 62a_200011216223_100000210202 [0,2,0,0,0,0|1,1,0]=4 2905 B9R0.40 CCCCC(CCC)NC 34a_100102657272_100000211913 [0,2,0,0,0,0|2,0,0]=4 2906 B9R0.40 CCCCC(CCC)NC 7a_106832991635_100000211913 [0,2,0,0,0,0|2,0,0]=4 2907 B9R0.40 CCCCC(CCC)OC 34a_100011215800_200000210301 [0,2,0,0,0,0|2,0,0]=4 2908 B9R0.40 CCCCC(CCC)OC 34a_100138415774_100000211913 [0,2,0,0,0,0|2,0,0]=4 2909 B9R0.40 CCCCC(CCC)OC 7a_100011215800_200000210301 [0,2,0,0,0,0|2,0,0]=4 2910 B9R0.40 CCCCC(CCC)O[13CH3] 34a_100011215800_200025704644 [0,2,0,0,0,0|2,0,0]=4 2911 B9R0.40 CCCCC(CCC)O[13CH3] 7a_100011215800_200025704644 [0,2,0,0,0,0|2,0,0]=4 2912 B9R0.40 CCCCC(CCC)SC 62a_100000211913_200000210301 [0,2,0,0,0,0|2,0,0]=4 2913 B9R0.40 CCCCC(CCC)SC 62a_200000210301_100000211913 [0,2,0,0,0,0|2,0,0]=4 2914 B9R0.40 CCCCC(CCC)S[13CH3] 62a_100000211913_200025704644 [0,2,0,0,0,0|2,0,0]=4 2915 B9R0.40 CCCCC(CCC)S[13CH3] 62a_200025704644_100000211913 [0,2,0,0,0,0|2,0,0]=4 2916 B9R0.40 CCCC[C@@H](CO)NCC 2230a_100011934283_100000210202 [0,2,0,0,0,0|2,0,0]=4 2917 B9R0.40 CCCC[C@@H](CO)NCC 34a_100011934283_100000210202 [0,2,0,0,0,0|2,0,0]=4 2918 B9R0.40 CCCN(CC)COCC 269982a_100000226822_100000739092 [0,2,0,0,0,0|2,0,0]=4 2919 B9R0.40 CCCNC(CC)CCC 2230a_100000747048_100000210303 [0,2,0,0,0,0|2,0,0]=4 2920 B9R0.40 CCCNC(CC)CCC 270004a_100020643023_100000687865 [0,2,0,0,0,0|2,0,0]=4 2921 B9R0.40 CCCN[C@H](CO)CCC 2230a_100000732646_100000210303 [0,2,0,0,0,0|2,0,0]=4 2922 B9R0.40 CCCN[C@H](CO)CCC 34a_100000732646_100000210303 [0,2,0,0,0,0|2,0,0]=4 2923 B9R0.40 CCCOC(C#N)CCC 34a_100000686963_100000210303 [0,2,0,0,0,0|1,0,1]=4 2924 B9R0.40 CCCOC(C#N)CCC 7a_100000686963_100000210303 [0,2,0,0,0,0|1,0,1]=4 2925 B9R0.40 CCCOC(CC)CCC 34a_100000687864_100000210303 [0,2,0,0,0,0|1,0,0]=3 2926 B9R0.40 CCCOC(CC)CCC 7a_100000687864_100000210303 [0,2,0,0,0,0|1,0,0]=3 2927 B9R0.40 CCCOC(CC)COC 7a_200011214946_100000210303 [0,2,0,0,0,0|2,0,0]=4 2928 B9R0.40 CCCOC(CCl)COC 34a_100011215053_100000210303 [0,2,0,0,0,0|2,0,0]=4 2929 B9R0.40 CCCOC(CN)COC 34a_100000756049_100000210303 [0,2,0,0,0,0|2,0,0]=4 2930 B9R0.40 CCCSC(CC)CCC 62a_100000210303_100011219200 [0,2,0,0,0,0|1,1,0]=4 2931 B9R0.40 CCCSC(CC)CCC 62a_100011219200_100000210303 [0,2,0,0,0,0|1,1,0]=4 2932 B9R0.40 CCC[C@@H](CO)NCCF 2230a_100000732646_100011217306 [0,2,0,0,0,0|2,0,0]=4 2933 B9R0.40 CCC[C@@H](CO)NCCF 34a_100000732646_100011217306 [0,2,0,0,0,0|2,0,0]=4 2934 B9R0.40 CCC[C@@H](CO)NCCO 2230a_100000732646_100000211926 [0,2,0,0,0,0|2,0,0]=4 2935 B9R0.40 CCC[C@@H](CO)NCCO 34a_100000732646_100000211926 [0,2,0,0,0,0|2,0,0]=4 2936 B9R0.40 CCC[C@@H](CO)NCOC 2230a_100000732646_100000766300 [0,2,0,0,0,0|2,0,0]=4 2937 B9R0.40 CCC[C@@H](CO)NCSC 2230a_100000732646_100011218213 [0,2,0,0,0,0|2,0,0]=4 2938 B9R0.40 CCC[C@@H](CO)NCSC 34a_100000732646_100011218213 [0,2,0,0,0,0|2,0,0]=4 2939 B9R0.40 CCNCC(CC)OCC 2230a_100015183923_100000210202 [0,2,0,0,0,0|1,0,0]=3 2940 B9R0.40 CCNCC(CC)OCC 34a_100015183923_100000210202 [0,2,0,0,0,0|1,0,0]=3 2941 B9R0.40 CCN[C@H](CO)CCSC 2230a_100011827619_100000210202 [0,2,0,0,0,0|2,0,0]=4 2942 B9R0.40 CCOC(CC)CNCF 34a_100015183923_100015361967 [0,2,0,0,0,0|2,0,0]=4 2943 B9R0.40 CCOCC(CN)OCC 34a_102515437182_100000210202 [0,2,0,0,0,0|0,0,0]=2 2944 B9R0.40 CCOCC(CN)OCF 34a_102515437182_100015361967 [0,2,0,0,0,0|1,0,0]=3 2945 B9R0.40 COCC(CCl)OCCF 34a_100011215053_100011217306 [0,2,0,0,0,0|2,0,0]=4 2946 B9R0.40 COCC(CCl)OCCO 34a_100011215053_100000211926 [0,2,0,0,0,0|2,0,0]=4 2947 B9R0.40 COCC(CCl)OCSC 34a_100011215053_100011218213 [0,2,0,0,0,0|2,0,0]=4 2948 B9R0.40 COCC(CN)OCCF 34a_100000756049_100011217306 [0,2,0,0,0,0|2,0,0]=4 2949 B9R0.40 COCC(CN)OCCO 34a_100000756049_100000211926 [0,2,0,0,0,0|2,0,0]=4 2950 B9R0.40 COCC(CN)OCSC 34a_100000756049_100011218213 [0,2,0,0,0,0|2,0,0]=4 2951 B9R0.48 C/C=C/C(C)OCC(C)C 34a_200102604097_100000210624 [0,2,0,0,0,0|1,0,1]=4 2952 B9R0.48 C/C=C/C(C)OCC(C)O 34a_200102604097_100011218427 [0,2,0,0,0,0|1,0,1]=4 2953 B9R0.48 C/C=C/C(C)OCC(F)F 34a_200102604097_100011934356 [0,2,0,0,0,0|1,0,1]=4 2954 B9R0.48 C/C=C/C(C)OC[C@@H](C)O 34a_200102604097_100009817552 [0,2,0,0,0,0|1,0,1]=4 2955 B9R0.48 C=C(C)CCC(C)NCC 270004a_100015525214_100011215600 [0,2,0,0,0,0|2,0,0]=4 2956 B9R0.48 C=C(C)CNC(C)CCC 2230a_100000741246_100000748629 [0,2,0,0,0,0|2,0,0]=4 2957 B9R0.48 C=C(C)COC(C)/C=C/C 34a_200102604097_100000748629 [0,2,0,0,0,0|1,0,1]=4 2958 B9R0.48 C=C(C)COC(C)C#CC 34a_100011216543_100000748629 [0,2,0,0,0,0|1,0,1]=4 2959 B9R0.48 C=C(C)COC(C)CCBr 34a_100012276601_100000748629 [0,2,0,0,0,0|2,0,0]=4 2960 B9R0.48 C=C(C)COC(C)CCC 34a_100000210245_100000766640 [0,2,0,0,0,0|1,0,0]=3 2961 B9R0.48 C=C(C)COC(C)CCC 34a_100000764384_100000748629 [0,2,0,0,0,0|1,0,0]=3 2962 B9R0.48 C=C(C)COC(C)CCC 7a_100000764384_100000748629 [0,2,0,0,0,0|1,0,0]=3 2963 B9R0.48 C=C(C)COC(C)CCO 34a_100000210245_100009893172 [0,2,0,0,0,0|2,0,0]=4 2964 B9R0.48 C=C(C)COC(C)COC 34a_100000210245_100000765312 [0,2,0,0,0,0|2,0,0]=4 2965 B9R0.48 C=C(C)CO[C@H](C)COC 34a_100011934205_100000748629 [0,2,0,0,0,0|2,0,0]=4 2966 B9R0.48 C=C(C)CSC(C)CCC 62a_100000748629_100000766640 [0,2,0,0,0,0|1,1,0]=4 2967 B9R0.48 C=C(C)CSC(C)CCC 62a_100000766640_100000211660 [0,2,0,0,0,0|1,1,0]=4 2968 B9R0.48 C=C(F)COC(C)CCC 34a_100000764384_100009893438 [0,2,0,0,0,0|1,0,1]=4 2969 B9R0.48 C=C(F)COC(C)CCC 34a_200010262243_100000766640 [0,2,0,0,0,0|1,0,1]=4 2970 B9R0.48 C=C(F)COC(C)CCC 7a_100000764384_100000042424 [0,2,0,0,0,0|1,0,1]=4 2971 B9R0.48 CC#CC(C)OCC(C)C 34a_100011216543_100000210624 [0,2,0,0,0,0|1,0,1]=4 2972 B9R0.48 CC#CC(C)OCC(C)O 34a_100011216543_100011218427 [0,2,0,0,0,0|1,0,1]=4 2973 B9R0.48 CC#CC(C)OCC(F)F 34a_100011216543_100011934356 [0,2,0,0,0,0|1,0,1]=4 2974 B9R0.48 CC#CC(C)OC[C@@H](C)O 34a_100011216543_100009817552 [0,2,0,0,0,0|1,0,1]=4 2975 B9R0.48 CC(=O)COC(C)CCO 34a_100000211253_100009893172 [0,2,0,0,0,0|2,0,0]=4 2976 B9R0.48 CC(Br)COC(C)CCO 34a_100012180447_100009893172 [0,2,0,0,0,0|2,0,0]=4 2977 B9R0.48 CC(C)CCC(C)OCF 34a_100011215350_100015361967 [0,2,0,0,0,0|2,0,0]=4 2978 B9R0.48 CC(C)CCC(C)OCF 7a_100011215350_100015361967 [0,2,0,0,0,0|2,0,0]=4 2979 B9R0.48 CC(C)COC(C)CCBr 34a_100012276601_100000210624 [0,2,0,0,0,0|2,0,0]=4 2980 B9R0.48 CC(C)COC(C)CCO 34a_100000210257_100009893172 [0,2,0,0,0,0|2,0,0]=4 2981 B9R0.48 CC(CCBr)OCC(F)F 34a_100012276601_100011934356 [0,2,0,0,0,0|2,0,0]=4 2982 B9R0.48 CC(CCBr)OC[C@@H](C)O 34a_100012276601_100009817552 [0,2,0,0,0,0|2,0,0]=4 2983 B9R0.48 CC(CCN)COC(C)C 34a_106354213184_100000210206 [0,2,0,0,0,0|2,0,0]=4 2984 B9R0.48 CC(CCO)OCC(F)F 34a_100000743014_100009893172 [0,2,0,0,0,0|2,0,0]=4 2985 B9R0.48 CC(CCO)OC[C@@H](C)Cl 34a_100016084084_100009893172 [0,2,0,0,0,0|2,0,0]=4 2986 B9R0.48 CC(CCO)OC[C@@H](C)N 34a_100000737577_100009893172 [0,2,0,0,0,0|2,0,0]=4 2987 B9R0.48 CC(F)COC(C)CCO 34a_100015925927_100009893172 [0,2,0,0,0,0|2,0,0]=4 2988 B9R0.48 CC(O)COC(C)CCBr 34a_100012276601_100011218427 [0,2,0,0,0,0|2,0,0]=4 2989 B9R0.48 CCCC(C)CNC(C)C 2230a_100138425928_100011216630 [0,2,0,0,0,0|2,0,0]=4 2990 B9R0.48 CCCC(C)CNC(C)C 34a_100138425928_100011216630 [0,2,0,0,0,0|2,0,0]=4 2991 B9R0.48 CCCC(C)COC(C)C 34a_100000212225_100011216630 [0,2,0,0,0,0|1,0,0]=3 2992 B9R0.48 CCCC(C)COC(C)C 34a_100000688023_100000210206 [0,2,0,0,0,0|1,0,0]=3 2993 B9R0.48 CCCC(C)COC(C)C 7a_100000688023_100000210206 [0,2,0,0,0,0|1,0,0]=3 2994 B9R0.48 CCCC(C)CSC(C)C 62a_100000210206_100011216630 [0,2,0,0,0,0|1,1,0]=4 2995 B9R0.48 CCCC(C)CSC(C)C 62a_100011216630_100000210206 [0,2,0,0,0,0|1,1,0]=4 2996 B9R0.48 CCCC(C)NCC(C)C 2230a_100000210953_100000766640 [0,2,0,0,0,0|2,0,0]=4 2997 B9R0.48 CCCC(C)NCC(C)C 2230a_100000741246_100000210760 [0,2,0,0,0,0|2,0,0]=4 2998 B9R0.48 CCCC(C)NCC(C)C 270004a_100000210953_100000211909 [0,2,0,0,0,0|2,0,0]=4 2999 B9R0.48 CCCC(C)NCC(C)C 270004a_100000741246_100000210432 [0,2,0,0,0,0|2,0,0]=4 3000 B9R0.48 CCCC(C)NCC(C)C 34a_100000210953_100000766640 [0,2,0,0,0,0|2,0,0]=4 3001 B9R0.48 CCCC(C)NCC(C)O 2230a_100000210904_100000766640 [0,2,0,0,0,0|2,0,0]=4 3002 B9R0.48 CCCC(C)NCC(C)O 2230a_100000741246_100011218427 [0,2,0,0,0,0|2,0,0]=4 3003 B9R0.48 CCCC(C)NCC(C)O 270004a_100000210904_100000211909 [0,2,0,0,0,0|2,0,0]=4 3004 B9R0.48 CCCC(C)NCC(C)O 34a_100000210904_100000766640 [0,2,0,0,0,0|2,0,0]=4 3005 B9R0.48 CCCC(C)NCC(F)F 2230a_100000741246_100011934356 [0,2,0,0,0,0|2,0,0]=4 3006 B9R0.48 CCCC(C)NCC(F)F 270004a_100000765723_100000211909 [0,2,0,0,0,0|2,0,0]=4 3007 B9R0.48 CCCC(C)NCC(F)F 34a_100000765723_100000766640 [0,2,0,0,0,0|2,0,0]=4 3008 B9R0.48 CCCC(C)NC[C@@H](C)O 2230a_100000741246_100009817552 [0,2,0,0,0,0|2,0,0]=4 3009 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,2,0,0,0,0|1,0,0]=3 3010 B9R0.48 CCCC(C)OCC(=O)N 34a_100000764384_100000187820 [0,2,0,0,0,0|1,0,1]=4 3011 B9R0.48 CCCC(C)OCC(=O)N 7a_100000764384_100000187820 [0,2,0,0,0,0|1,0,1]=4 3012 B9R0.48 CCCC(C)OCC(=O)[O-] 34a_100000764384_100020667443 [0,2,0,0,0,0|1,0,1]=4 3013 B9R0.48 CCCC(C)OCC(C)Br 34a_100012180447_100000766640 [0,2,0,0,0,0|1,0,0]=3 3014 B9R0.48 CCCC(C)OCC(C)C 34a_100000210257_100000766640 [0,2,0,0,0,0|1,0,0]=3 3015 B9R0.48 CCCC(C)OCC(C)C 34a_100000764384_100000210624 [0,2,0,0,0,0|1,0,0]=3 3016 B9R0.48 CCCC(C)OCC(C)C 7a_100000764384_100000210760 [0,2,0,0,0,0|1,0,0]=3 3017 B9R0.48 CCCC(C)OCC(C)F 34a_100015925927_100000766640 [0,2,0,0,0,0|1,0,0]=3 3018 B9R0.48 CCCC(C)OCC(C)O 34a_100000764384_100011218427 [0,2,0,0,0,0|1,0,0]=3 3019 B9R0.48 CCCC(C)OCC(C)O 7a_100000764384_100011218427 [0,2,0,0,0,0|1,0,0]=3 3020 B9R0.48 CCCC(C)OCC(F)F 34a_100000743014_100000766640 [0,2,0,0,0,0|1,0,0]=3 3021 B9R0.48 CCCC(C)OCC(F)F 34a_100000764384_100011934356 [0,2,0,0,0,0|1,0,0]=3 3022 B9R0.48 CCCC(C)OCC(F)F 7a_100000764384_100011934356 [0,2,0,0,0,0|1,0,0]=3 3023 B9R0.48 CCCC(C)OC[C@@H](C)Cl 34a_100016084084_100000766640 [0,2,0,0,0,0|1,0,0]=3 3024 B9R0.48 CCCC(C)OC[C@@H](C)N 34a_100000737577_100000766640 [0,2,0,0,0,0|1,0,0]=3 3025 B9R0.48 CCCC(C)OC[C@@H](C)O 34a_100000764384_100009817552 [0,2,0,0,0,0|1,0,0]=3 3026 B9R0.48 CCCC(C)OC[C@@H](C)O 7a_100000764384_100009817552 [0,2,0,0,0,0|1,0,0]=3 3027 B9R0.48 CCCC(C)OC[N+](=O)[O-] 34a_100000764384_100000761209 [0,2,0,0,0,0|2,0,0]=4 3028 B9R0.48 CCCC(C)SCC(C)C 62a_100000210624_100000766640 [0,2,0,0,0,0|1,1,0]=4 3029 B9R0.48 CCCC(C)SCC(C)C 62a_100000766640_100000210760 [0,2,0,0,0,0|1,1,0]=4 3030 B9R0.48 CCCC(C)SCC(C)O 62a_100000766640_100011218427 [0,2,0,0,0,0|1,1,0]=4 3031 B9R0.48 CCCC(C)SCC(C)O 62a_100011218427_100000766640 [0,2,0,0,0,0|1,1,0]=4 3032 B9R0.48 CCCC(C)SCC(F)F 62a_100000766640_100011934356 [0,2,0,0,0,0|1,1,0]=4 3033 B9R0.48 CCCC(C)SCC(F)F 62a_100011934356_100000766640 [0,2,0,0,0,0|1,1,0]=4 3034 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100000766640_100009817552 [0,2,0,0,0,0|1,1,0]=4 3035 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100009817552_100000766640 [0,2,0,0,0,0|1,1,0]=4 3036 B9R0.48 CCCN(C)COC(C)C 2230a_100000747261_100000709892 [0,2,0,0,0,0|2,0,0]=4 3037 B9R0.48 CCCN(C)COC(C)C 269982a_100000747261_100000709892 [0,2,0,0,0,0|2,0,0]=4 3038 B9R0.48 CCC[C@H](N)COC(C)C 34a_100000732646_100000210206 [0,2,0,0,0,0|2,0,0]=4 3039 B9R0.48 CCNC(C)CCC(C)C 2230a_100015525214_100011261404 [0,2,0,0,0,0|2,0,0]=4 3040 B9R0.48 CCNC(C)CCC(C)C 2230a_100138410893_100000210202 [0,2,0,0,0,0|2,0,0]=4 3041 B9R0.48 CCNC(C)CCC(C)C 270004a_100015525214_100000210476 [0,2,0,0,0,0|2,0,0]=4 3042 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [0,2,0,0,0,0|1,0,1]=4 3043 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,2,0,0,0,0|1,0,1]=4 3044 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,2,0,0,0,0|1,0,0]=3 3045 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,2,0,0,0,0|1,0,0]=3 3046 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,2,0,0,0,0|1,0,0]=3 3047 B9R0.48 CCSC(C)CCC(C)C 62a_100000210202_100011261404 [0,2,0,0,0,0|1,1,0]=4 3048 B9R0.48 CCSC(C)CCC(C)C 62a_100011261404_100000210202 [0,2,0,0,0,0|1,1,0]=4 3049 B9R0.48 COCC(C)OCC(=O)C 34a_100000211253_100000765312 [0,2,0,0,0,0|2,0,0]=4 3050 B9R0.48 COCC(C)OCC(C)Br 34a_100012180447_100000765312 [0,2,0,0,0,0|2,0,0]=4 3051 B9R0.48 COCC(C)OCC(C)C 34a_100000210257_100000765312 [0,2,0,0,0,0|2,0,0]=4 3052 B9R0.48 COCC(C)OCC(C)F 34a_100015925927_100000765312 [0,2,0,0,0,0|2,0,0]=4 3053 B9R0.48 COCC(C)OCC(F)F 34a_100000743014_100000765312 [0,2,0,0,0,0|2,0,0]=4 3054 B9R0.48 COCC(C)OC[C@@H](C)Cl 34a_100016084084_100000765312 [0,2,0,0,0,0|2,0,0]=4 3055 B9R0.48 COCC(C)OC[C@@H](C)N 34a_100000737577_100000765312 [0,2,0,0,0,0|2,0,0]=4 3056 B9R0.48 COC[C@@H](C)OCC(C)C 34a_100011934205_100000210624 [0,2,0,0,0,0|2,0,0]=4 3057 B9R0.48 COC[C@@H](C)OCC(C)O 34a_100011934205_100011218427 [0,2,0,0,0,0|2,0,0]=4 3058 B9R0.48 COC[C@@H](C)OCC(F)F 34a_100011934205_100011934356 [0,2,0,0,0,0|2,0,0]=4 3059 B9R0.48 COC[C@@H](C)OC[C@@H](C)O 34a_100011934205_100009817552 [0,2,0,0,0,0|2,0,0]=4 3060 B9R0.66 C#CCOC(C)(C)CCC 7a_100000748436_100000038162 [0,2,0,0,0,0|1,0,1]=4 3061 B9R0.66 C=CCOC(C)(C)CCC 7a_100000748436_100015514636 [0,2,0,0,0,0|1,0,1]=4 3062 B9R0.66 CC(C)(CCBr)OCCF 7a_100000702414_100011217306 [0,2,0,0,0,0|2,0,0]=4 3063 B9R0.66 CC(C)(CCBr)OCCO 7a_100000702414_100000211926 [0,2,0,0,0,0|2,0,0]=4 3064 B9R0.66 CC(C)(CCCBr)OCF 7a_100009888830_100015361967 [0,2,0,0,0,0|2,0,0]=4 3065 B9R0.66 CCCC(C)(C)COCC 7a_100011995695_100000210202 [0,2,0,0,0,0|1,0,0]=3 3066 B9R0.66 CCCC(C)(C)COCF 7a_100011995695_100015361967 [0,2,0,0,0,0|2,0,0]=4 3067 B9R0.66 CCCC(C)(C)OCC#N 7a_100000748436_100011215382 [0,2,0,0,0,0|1,0,1]=4 3068 B9R0.66 CCCC(C)(C)OCC=O 7a_100000748436_200015260668 [0,2,0,0,0,0|1,0,1]=4 3069 B9R0.66 CCCC(C)(C)OCCF 7a_100000748436_100011217306 [0,2,0,0,0,0|1,0,0]=3 3070 B9R0.66 CCCC(C)(C)OCCO 7a_100000748436_100000211926 [0,2,0,0,0,0|1,0,0]=3 3071 B9R0.66 CCCCC(C)(C)OCC 7a_100011219641_100000210202 [0,2,0,0,0,0|1,0,0]=3 3072 B9R0.66 CCCCC(C)(C)OCF 7a_100011219641_100015361967 [0,2,0,0,0,0|2,0,0]=4 3073 B9R0.66 CCCOC(C)(C)CCBr 7a_100000702414_100000210303 [0,2,0,0,0,0|2,0,0]=4 3074 B9R0.66 CCCOC(C)(C)CCC 7a_100000748436_100000210303 [0,2,0,0,0,0|1,0,0]=3 3075 B9R0.66 CCNC(C)(C)COCC 7a_100000747347_100000210202 [0,2,0,0,0,0|1,0,0]=3 3076 B9R0.66 CCNC(C)(C)COCF 7a_100000747347_100015361967 [0,2,0,0,0,0|2,0,0]=4 3077 B9R0.66 CCOC(C)(C)CCCBr 7a_100009888830_100000210202 [0,2,0,0,0,0|1,0,0]=3 3078 B9R0.66 CCO[Si](C)(C)CSCC 62a_100000210202_200000065227 [0,2,0,0,0,0|0,2,0]=4 3079 B9R0.66 CCO[Si](C)(C)CSCC 62a_200000065227_100000210202 [0,2,0,0,0,0|0,2,0]=4 3080 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210198_100000766640 [0,2,0,0,0,0|2,0,0]=4 3081 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210906_100000210206 [0,2,0,0,0,0|2,0,0]=4 3082 B9R0.6 CCCC(C)C(=O)C(C)F 1458a_100000062450_100000766640 [0,2,0,0,0,0|2,0,0]=4 3083 B9R0.6 CCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000766640 [0,2,0,0,0,0|2,0,0]=4 3084 B9R0.6 CCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000766640 [0,2,0,0,0,0|2,0,0]=4 3085 B9R0.6 CCCC(C)N(C)C(C)C 269982a_200000211004_100000766640 [0,2,0,0,0,0|2,0,0]=4 3086 B9R0.6 CCCC(C)N(C)C(C)C 270004a_200000211004_100000211909 [0,2,0,0,0,0|2,0,0]=4 3087 B9R0.6 CCNC(C)C(=O)C(C)C 2230a_100015525214_100009893295 [0,2,0,0,0,0|2,0,0]=4 3088 B9R0.6 CCOC(C)C(=O)C(C)C 1458a_100000739345_100000210206 [0,2,0,0,0,0|1,0,0]=3 3089 B9R0.6 CCOC(C)C(=O)N(C)C 11a_100102631434_100000739345 [0,2,0,0,0,0|2,0,0]=4 3090 B9R0.6 CCOC(C)C(=O)N(C)C 1626a_100102631434_100000739345 [0,2,0,0,0,0|2,0,0]=4 3091 B9R0.6 CCOC(C)C(=O)N(C)C 240690a_100102631434_100000739345 [0,2,0,0,0,0|2,0,0]=4 3092 B9R0.6 CCOC(C)C(=O)N(C)C 527a_100102631434_100000739345 [0,2,0,0,0,0|2,0,0]=4 3093 B9R0.6 CCSC(C)C(=O)C(C)C 1458a_100000230601_100000210206 [0,2,0,0,0,0|1,1,0]=4 3094 B9R0.6 CCSC(C)C(=O)C(C)C 62a_100000210202_100009893295 [0,2,0,0,0,0|1,1,0]=4 3095 B9R0.6 CCSC(C)C(=O)C(C)C 62a_100009893295_100000210202 [0,2,0,0,0,0|1,1,0]=4 3096 B9R0.12 CCC(=O)C(CC)OCF 34a_200011218131_100015361967 [0,2,0,0,0,0|2,0,0]=4 3097 B9R0.12 CCC(=O)C(CC)OCF 7a_200011218131_100015361967 [0,2,0,0,0,0|2,0,0]=4 3098 B9R0.12 CCCC(CC)C(=O)CC 1458a_100000210414_100011219200 [0,2,0,0,0,0|2,0,0]=4 3099 B9R0.12 CCCC(CC)C(=O)CC 1458a_100011416436_100000210202 [0,2,0,0,0,0|2,0,0]=4 3100 B9R0.12 CCCC(CC)N(C)CC 269982a_100000225621_100011219200 [0,2,0,0,0,0|2,0,0]=4 3101 B9R0.12 CCCC(NC)C(C)CC 270004a_106832991635_100011218362 [0,2,0,0,0,0|2,0,0]=4 3102 B9R0.12 CCCC(OC)C(C)CC 34a_100011215975_200000210301 [0,2,0,0,0,0|2,0,0]=4 3103 B9R0.12 CCCC(OC)C(C)CC 7a_100011215975_200000210301 [0,2,0,0,0,0|2,0,0]=4 3104 B9R0.12 CCCC(O[13CH3])C(C)CC 34a_100011215975_200025704644 [0,2,0,0,0,0|2,0,0]=4 3105 B9R0.12 CCCC(O[13CH3])C(C)CC 7a_100011215975_200025704644 [0,2,0,0,0,0|2,0,0]=4 3106 B9R0.12 CCN[C@H](CO)[C@@H](C)CC 2230a_100011827617_100000210202 [0,2,0,0,0,0|2,0,0]=4 3107 B9R0.12 CCOC(CC)C(=O)CC 34a_200011218131_100000210202 [0,2,0,0,0,0|1,0,0]=3 3108 B9R0.12 CCOC(CC)C(=O)CC 7a_200011218131_100000210202 [0,2,0,0,0,0|1,0,0]=3 3109 B9R0.12 CCOC(CC)C(=O)OC 34a_100000695916_100000210202 [0,2,0,0,0,0|2,0,0]=4 3110 B9R0.12 CCOC(CC)C(=O)OC 34a_100121572206_100000235869 [0,2,0,0,0,0|2,0,0]=4 3111 B9R0.12 CCOC(CC)C(=O)OC 7a_100000695916_100000210202 [0,2,0,0,0,0|2,0,0]=4 3112 B9R0.12 CCOC(CN)C(=O)OC 34a_100000695228_100000210202 [0,2,0,0,0,0|2,0,0]=4 3113 B9R0.12 CCOC(CO)C(=O)OC 34a_100121572206_100012276630 [0,2,0,0,0,0|2,0,0]=4 3114 B9R0.12 CCOC(OC)C(=O)OC 34a_100000036821_100000210202 [0,2,0,0,0,0|2,0,0]=4 3115 B9R0.12 CCOC(OC)C(=O)OC 34a_100121572206_100000101307 [0,2,0,0,0,0|2,0,0]=4 3116 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [0,2,0,0,0,0|2,0,0]=4 3117 B9R0.23 CCC(=O)C(C)NC(C)C 2230a_100138425928_100000742827 [0,2,0,0,0,0|2,0,0]=4 3118 B9R0.23 CCC(=O)C(C)OC(=O)C 1458a_100000210414_100009818208 [0,2,0,0,0,0|1,0,1]=4 3119 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000210206_100000742827 [0,2,0,0,0,0|1,1,0]=4 3120 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000742827_100000210206 [0,2,0,0,0,0|1,1,0]=4 3121 B9R0.23 CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210202 [0,2,0,0,0,0|1,0,1]=4 3122 B9R0.23 CCC(C)C(C)OC(C)C 7a_100011215189_100000210206 [0,2,0,0,0,0|1,0,0]=3 3123 B9R0.23 CCN(C)C(C)CC(C)C 2230a_100000225621_100000731052 [0,2,0,0,0,0|2,0,0]=4 3124 B9R0.23 CCN(C)C(C)CC(C)C 2230a_100000745462_100000210202 [0,2,0,0,0,0|2,0,0]=4 3125 B9R0.23 CCN(C)C(C)CC(C)C 269982a_100000225621_100000731052 [0,2,0,0,0,0|2,0,0]=4 3126 B9R0.23 CCN(C)C(C)CC(C)C 269982a_100000745462_100000204670 [0,2,0,0,0,0|2,0,0]=4 3127 B9R0.23 CCN(C)C(C)OC(=O)C 269982a_100000225621_100009818208 [0,2,0,0,0,0|1,0,1]=4 3128 B9R0.23 CNC(=O)C(C)OC(C)C 34a_100000212225_100000731044 [0,2,0,0,0,0|2,0,0]=4 3129 B9R0.23 COC(=O)C(C)OC(C)C 34a_100000212225_100000211248 [0,2,0,0,0,0|2,0,0]=4 3130 B9R0.23 COC(=O)C(C)OC(C)C 34a_100011215400_100000210206 [0,2,0,0,0,0|2,0,0]=4 3131 B9R0.27 CCC(=O)C(C)C(=O)CC 1458a_100000210414_100000742827 [0,2,0,0,0,0|2,0,0]=4 3132 B9R0.27 CCC(=O)C(C)N(C)CC 1458a_100011281945_100000210202 [0,2,0,0,0,0|2,0,0]=4 3133 B9R0.27 CCC(=O)C(C)N(C)CC 2230a_100000225621_100000742827 [0,2,0,0,0,0|2,0,0]=4 3134 B9R0.27 CCC(=O)C(C)N(C)CC 269982a_100000225621_100000742827 [0,2,0,0,0,0|2,0,0]=4 3135 B9R0.37 CCCC(C)C(CC)OC 34a_200011218412_200000210301 [0,2,0,0,0,0|2,0,0]=4 3136 B9R0.37 CCCC(C)C(CC)OC 7a_200011218412_200000210301 [0,2,0,0,0,0|2,0,0]=4 3137 B9R0.37 CCCC(C)C(CC)O[13CH3] 34a_200011218412_200025704644 [0,2,0,0,0,0|2,0,0]=4 3138 B9R0.37 CCCC(C)C(CC)O[13CH3] 7a_200011218412_200025704644 [0,2,0,0,0,0|2,0,0]=4 3139 B9R0.37 CCCC(C)N(CC)CC 2230a_100000724800_100000766640 [0,2,0,0,0,0|2,0,0]=4 3140 B9R0.37 CCCC(C)N(CC)CC 269956a_100000042499_100000766640 [0,2,0,0,0,0|2,0,0]=4 3141 B9R0.37 CCCC(C)N(CC)CC 269982a_100000724800_100000766640 [0,2,0,0,0,0|2,0,0]=4 3142 B9R0.37 CCCC(C)N(CC)CC 270004a_100000724800_100000211909 [0,2,0,0,0,0|2,0,0]=4 3143 B9R0.37 CCNC(C)C(CC)CC 269862a_100015525214_100011393642 [0,2,0,0,0,0|2,0,0]=4 3144 B9R0.37 CCNC(C)C(CC)CC 270004a_100015525214_100011393642 [0,2,0,0,0,0|2,0,0]=4 3145 B9R0.37 CCOC(C)C(OC)OC 34a_100000754440_100000210202 [0,2,0,0,0,0|2,0,0]=4 3146 B9R0.37 CCOC(C)C(OC)OC 34a_100121572206_100011222894 [0,2,0,0,0,0|2,0,0]=4 3147 B9R0.37 CCOC(C)C(OC)OC 7a_100000754440_100000210202 [0,2,0,0,0,0|2,0,0]=4 3148 B9R0.60 CCCC(C)(C)C(=O)CC 1458a_100011215034_100000210202 [0,2,0,0,0,0|2,0,0]=4 3149 B9R0.60 CCOC(C)(C)C(=O)CC 1458a_100011458965_100000210202 [0,2,0,0,0,0|1,0,0]=3 3150 B9R0.60 CCOC(C)(C)C(=O)CF 1458a_100011458965_100015361967 [0,2,0,0,0,0|2,0,0]=4 3151 B9R0.60 CCOC(C)(C)C(=O)NC 11a_106832991635_100011458965 [0,2,0,0,0,0|2,0,0]=4 3152 B9R0.60 CCOC(C)(C)C(=O)NC 1626a_100102657272_100011458965 [0,2,0,0,0,0|2,0,0]=4 3153 B9R0.60 CCOC(C)(C)C(=O)NC 240690a_100102657272_100011458965 [0,2,0,0,0,0|2,0,0]=4 3154 B9R0.60 CCOC(C)(C)C(=O)NC 34a_100121572206_100000732697 [0,2,0,0,0,0|2,0,0]=4 3155 B9R0.60 CCOC(C)(C)C(=O)NC 527a_100102657272_100011458965 [0,2,0,0,0,0|2,0,0]=4 3156 B9R0.60 CCOC(C)(C)C(=O)OC 34a_100011217581_100000210202 [0,2,0,0,0,0|2,0,0]=4 3157 B9R0.60 CCOC(C)(C)C(=O)OC 7a_100011217581_100000210202 [0,2,0,0,0,0|2,0,0]=4 3158 B9R0.60 CCOC(C)(F)C(=O)OC 34a_100121572206_200009867631 [0,2,0,0,0,0|2,0,0]=4 3159 B9R0.14 C#CC(CC(C)C)OCC 34a_100011215986_100000210202 [0,2,0,0,0,0|1,0,1]=4 3160 B9R0.14 C#CC(CC(C)C)OCC 7a_100011215986_100000210202 [0,2,0,0,0,0|1,0,1]=4 3161 B9R0.14 C#CC(CCC)OC(C)C 34a_200011217317_100000210206 [0,2,0,0,0,0|1,0,1]=4 3162 B9R0.14 C#CC(CCC)OC(C)C 7a_200011217317_100000210206 [0,2,0,0,0,0|1,0,1]=4 3163 B9R0.14 C=CC(CC(C)C)OCC 34a_100012186643_100000210202 [0,2,0,0,0,0|1,0,1]=4 3164 B9R0.14 C=CC(CC(C)C)OCC 7a_100012186643_100000210202 [0,2,0,0,0,0|1,0,1]=4 3165 B9R0.14 C=CC(CCC)OC(C)C 34a_100011216692_100000210206 [0,2,0,0,0,0|1,0,1]=4 3166 B9R0.14 C=CC(CCC)OC(C)C 7a_100011216692_100000210206 [0,2,0,0,0,0|1,0,1]=4 3167 B9R0.14 CC#CC(CC)OC(C)C 34a_200011219922_100000210206 [0,2,0,0,0,0|1,0,1]=4 3168 B9R0.14 CC#CC(CC)OC(C)C 7a_200011219922_100000210206 [0,2,0,0,0,0|1,0,1]=4 3169 B9R0.14 CCC(COC)OC(C)C 7a_200011214946_100000210206 [0,2,0,0,0,0|2,0,0]=4 3170 B9R0.14 CCCC(C#N)OC(C)C 34a_100000686963_100000210206 [0,2,0,0,0,0|1,0,1]=4 3171 B9R0.14 CCCC(C#N)OC(C)C 7a_100000686963_100000210206 [0,2,0,0,0,0|1,0,1]=4 3172 B9R0.14 CCCC(CC(C)C)OC 34a_100011351045_200000210301 [0,2,0,0,0,0|2,0,0]=4 3173 B9R0.14 CCCC(CC(C)C)OC 7a_100011351045_200000210301 [0,2,0,0,0,0|2,0,0]=4 3174 B9R0.14 CCCC(CC(C)C)O[13CH3] 34a_100011351045_200025704644 [0,2,0,0,0,0|2,0,0]=4 3175 B9R0.14 CCCC(CC(C)C)O[13CH3] 7a_100011351045_200025704644 [0,2,0,0,0,0|2,0,0]=4 3176 B9R0.14 CCCC(CC)NC(C)C 2230a_100000747048_100000210206 [0,2,0,0,0,0|2,0,0]=4 3177 B9R0.14 CCCC(CC)OC(C)C 34a_100000687864_100000210206 [0,2,0,0,0,0|1,0,0]=3 3178 B9R0.14 CCCC(CC)OC(C)C 7a_100000687864_100000210206 [0,2,0,0,0,0|1,0,0]=3 3179 B9R0.14 CCCC(CC)SC(C)C 62a_100000210206_100011219200 [0,2,0,0,0,0|1,1,0]=4 3180 B9R0.14 CCCC(CC)SC(C)C 62a_100011219200_100000210206 [0,2,0,0,0,0|1,1,0]=4 3181 B9R0.14 CCC[C@@H](CO)NC(C)C 2230a_100000732646_100000210206 [0,2,0,0,0,0|2,0,0]=4 3182 B9R0.14 CCC[C@@H](CO)NC(C)C 34a_100000732646_100000210206 [0,2,0,0,0,0|2,0,0]=4 3183 B9R0.14 CCN[C@H](CO)CC(C)C 2230a_100011830311_100000210202 [0,2,0,0,0,0|2,0,0]=4 3184 B9R0.14 CCN[C@H](CO)CC(C)C 34a_100011830311_100000210202 [0,2,0,0,0,0|2,0,0]=4 3185 B9R0.14 CCOC(C#N)CC(C)C 34a_200011294978_100000210202 [0,2,0,0,0,0|1,0,1]=4 3186 B9R0.14 CCOC(C#N)CC(C)C 7a_200011294978_100000210202 [0,2,0,0,0,0|1,0,1]=4 3187 B9R0.14 COCC(CCl)OC(C)C 34a_100011215053_100000210206 [0,2,0,0,0,0|2,0,0]=4 3188 B9R0.14 COCC(CN)OC(C)C 34a_100000756049_100000210206 [0,2,0,0,0,0|2,0,0]=4 3189 B9R0.44 C/C=C/C(C)OC(C)(C)C 34a_200102604097_100000210625 [0,2,0,0,0,0|1,0,1]=4 3190 B9R0.44 CC#CC(C)OC(C)(C)C 34a_100011216543_100000210625 [0,2,0,0,0,0|1,0,1]=4 3191 B9R0.44 CC(CC(C)(C)C)OCF 7a_200011218616_100015361967 [0,2,0,0,0,0|2,0,0]=4 3192 B9R0.44 CC(CCBr)OC(C)(C)C 34a_100012276601_100000210625 [0,2,0,0,0,0|2,0,0]=4 3193 B9R0.44 CC(CCO)OC(C)(C)C 34a_100015890283_100009893172 [0,2,0,0,0,0|2,0,0]=4 3194 B9R0.44 CC(CCO)OC(C)(C)C 7a_100015890283_100009893172 [0,2,0,0,0,0|2,0,0]=4 3195 B9R0.44 CCCC(C)NC(C)(C)C 2230a_100000715429_100000766640 [0,2,0,0,0,0|2,0,0]=4 3196 B9R0.44 CCCC(C)OC(C)(C)C 34a_100000764384_100000210625 [0,2,0,0,0,0|1,0,0]=3 3197 B9R0.44 CCCC(C)OC(C)(C)C 34a_100015890283_100000766640 [0,2,0,0,0,0|1,0,0]=3 3198 B9R0.44 CCCC(C)OC(C)(C)C 7a_100015890283_100000766640 [0,2,0,0,0,0|1,0,0]=3 3199 B9R0.44 CCCC(C)OC(F)(F)F 34a_100000764384_200103152311 [0,2,0,0,0,0|2,0,0]=4 3200 B9R0.44 CCCC(C)OC(F)(F)F 7a_100000764384_200000243211 [0,2,0,0,0,0|2,0,0]=4 3201 B9R0.44 CCCC(C)SC(C)(C)C 62a_100000211941_100000766640 [0,2,0,0,0,0|1,1,0]=4 3202 B9R0.44 CCCC(C)SC(C)(C)C 62a_100000766640_100000211941 [0,2,0,0,0,0|1,1,0]=4 3203 B9R0.44 CCN[C@@H](C)CC(C)(C)C 2230a_106358413534_100000210202 [0,2,0,0,0,0|2,0,0]=4 3204 B9R0.44 CCOC(C)CC(C)(C)C 7a_200011218616_100000210202 [0,2,0,0,0,0|1,0,0]=3 3205 B9R0.44 CCOC(C)CC(F)(F)F 34a_100121572206_200000065471 [0,2,0,0,0,0|2,0,0]=4 3206 B9R0.44 CCOC(C)CC(F)(F)F 34a_200011470763_100000210202 [0,2,0,0,0,0|2,0,0]=4 3207 B9R0.44 CCOC(C)CC(F)(F)F 7a_200011470763_100000210202 [0,2,0,0,0,0|2,0,0]=4 3208 B9R0.44 COCC(C)OC(C)(C)C 34a_100015890283_100000765312 [0,2,0,0,0,0|2,0,0]=4 3209 B9R0.44 COCC(C)OC(C)(C)C 7a_100015890283_100000765312 [0,2,0,0,0,0|2,0,0]=4 3210 B9R0.44 COC[C@@H](C)OC(C)(C)C 34a_100011934205_100000210625 [0,2,0,0,0,0|2,0,0]=4 3211 B9R0.53 CC(=CC(C)OC(C)C)C 34a_100000717055_100000210206 [0,2,0,0,0,0|1,0,1]=4 3212 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100000210206_100009818208 [0,2,0,0,0,0|0,1,1]=4 3213 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100009818208_100000210206 [0,2,0,0,0,0|0,1,1]=4 3214 B9R0.53 CC(C)CC(C)NC(C)C 2230a_100000692259_100000210206 [0,2,0,0,0,0|2,0,0]=4 3215 B9R0.53 CC(C)CC(C)NC(C)C 2230a_100138425928_100000731052 [0,2,0,0,0,0|2,0,0]=4 3216 B9R0.53 CC(C)CC(C)NC(C)C 34a_100138425928_100000731052 [0,2,0,0,0,0|2,0,0]=4 3217 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000211805_100000210206 [0,2,0,0,0,0|1,0,0]=3 3218 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000212225_100000731052 [0,2,0,0,0,0|1,0,0]=3 3219 B9R0.53 CC(C)CC(C)OC(C)C 7a_100000211805_100000210206 [0,2,0,0,0,0|1,0,0]=3 3220 B9R0.53 CC(C)CC(C)SC(C)C 62a_100000210206_100000731052 [0,2,0,0,0,0|1,1,0]=4 3221 B9R0.53 CC(C)CC(C)SC(C)C 62a_100000731052_100000210206 [0,2,0,0,0,0|1,1,0]=4 3222 B9R0.58 CC(C)OC(C)(C)CCBr 7a_100000702414_100000210206 [0,2,0,0,0,0|2,0,0]=4 3223 B9R0.58 CCCC(C)(C)OC(C)C 7a_100000748436_100000210206 [0,2,0,0,0,0|1,0,0]=3 3224 B9R0.58 CCNC(C)(C)CC(C)C 2230a_100011346068_100000210202 [0,2,0,0,0,0|2,0,0]=4 3225 B9R0.58 CCOC(C)(C)CC(=O)C 7a_100000210262_100000210202 [0,2,0,0,0,0|1,0,1]=4 3226 B9R0.15 CCCC(CCC)C(=O)C 1458a_100000070787_200011218217 [0,2,0,0,0,0|2,0,0]=4 3227 B9R0.15 CCCC(CCC)C(=O)C 1458a_100011215354_200000210301 [0,2,0,0,0,0|2,0,0]=4 3228 B9R0.15 CCCC(CCC)C(=O)[13CH3] 1458a_100011215354_200025704644 [0,2,0,0,0,0|2,0,0]=4 3229 B9R0.15 CCCC(CCC)N(C)C 269982a_100102631434_200011218217 [0,2,0,0,0,0|2,0,0]=4 3230 B9R0.15 CCCC(CCC)N(C)C 270004a_100102631434_100000210088 [0,2,0,0,0,0|2,0,0]=4 3231 B9R0.15 CCCC(OCC)C(=O)N 34a_100011626294_100000210202 [0,2,0,0,0,0|1,0,1]=4 3232 B9R0.15 CCCC(OCC)C(=O)N 7a_100011626294_100000210202 [0,2,0,0,0,0|1,0,1]=4 3233 B9R0.15 CCCC(OCC)C(C)C 34a_200011215069_100000210202 [0,2,0,0,0,0|1,0,0]=3 3234 B9R0.15 CCCC(OCC)C(C)C 7a_200011215069_100000210202 [0,2,0,0,0,0|1,0,0]=3 3235 B9R0.15 CCCC(OCF)C(C)C 34a_200011215069_100015361967 [0,2,0,0,0,0|2,0,0]=4 3236 B9R0.15 CCCC(OCF)C(C)C 7a_200011215069_100015361967 [0,2,0,0,0,0|2,0,0]=4 3237 B9R0.15 CCOC(OCC)C(=O)C 1458a_100000082760_200000210301 [0,2,0,0,0,0|0,0,0]=2 3238 B9R0.15 CCOC(OCC)C(=O)[13CH3] 1458a_100000082760_200025704644 [0,2,0,0,0,0|0,0,0]=2 3239 B9R0.15 CCOC(OCC)C(F)F 34a_100000038436_100000210202 [0,2,0,0,0,0|0,0,0]=2 3240 B9R0.15 CCOC(OCC)C(F)F 7a_100000038436_100000210202 [0,2,0,0,0,0|0,0,0]=2 3241 B9R0.15 CCOC(OCF)C(F)F 34a_100000038436_100015361967 [0,2,0,0,0,0|1,0,0]=3 3242 B9R0.15 CCOC(OCF)C(F)F 7a_100000038436_100015361967 [0,2,0,0,0,0|1,0,0]=3 3243 B9R0.17 C/C=C/C(CCC)OCC 34a_200016264281_100000210202 [0,2,0,0,0,0|1,0,0]=3 3244 B9R0.17 C/C=C/C(CCC)OCC 7a_200016264281_100000210202 [0,2,0,0,0,0|1,0,0]=3 3245 B9R0.17 C/C=C/C(CCC)OCF 34a_200016264281_100015361967 [0,2,0,0,0,0|2,0,0]=4 3246 B9R0.17 C/C=C/C(CCC)OCF 7a_200016264281_100015361967 [0,2,0,0,0,0|2,0,0]=4 3247 B9R0.17 C=CCC(CCC)OCC 34a_100011215139_100000210202 [0,2,0,0,0,0|1,0,0]=3 3248 B9R0.17 C=CCC(CCC)OCC 7a_100011215139_100000210202 [0,2,0,0,0,0|1,0,0]=3 3249 B9R0.17 C=CCC(CCC)OCF 34a_100011215139_100015361967 [0,2,0,0,0,0|2,0,0]=4 3250 B9R0.17 C=CCC(CCC)OCF 7a_100011215139_100015361967 [0,2,0,0,0,0|2,0,0]=4 3251 B9R0.17 CCCC(CCC)COC 34a_200011215456_200000210301 [0,2,0,0,0,0|2,0,0]=4 3252 B9R0.17 CCCC(CCC)COC 7a_200011215456_200000210301 [0,2,0,0,0,0|2,0,0]=4 3253 B9R0.17 CCCC(CCC)CO[13CH3] 34a_200011215456_200025704644 [0,2,0,0,0,0|2,0,0]=4 3254 B9R0.17 CCCC(CCC)CO[13CH3] 7a_200011215456_200025704644 [0,2,0,0,0,0|2,0,0]=4 3255 B9R0.17 CCCC(CCC)NCC 2230a_100011207992_100000210202 [0,2,0,0,0,0|2,0,0]=4 3256 B9R0.17 CCCC(CCC)NCC 270004a_100015525214_100000210088 [0,2,0,0,0,0|2,0,0]=4 3257 B9R0.17 CCCC(CCC)NCC 34a_100011207992_100000210202 [0,2,0,0,0,0|2,0,0]=4 3258 B9R0.17 CCCC(CCC)NCF 34a_100011207992_100015361967 [0,2,0,0,0,0|2,0,0]=4 3259 B9R0.17 CCCC(CCC)OCC 34a_100121572206_200011218217 [0,2,0,0,0,0|1,0,0]=3 3260 B9R0.17 CCCC(CCC)OCC 34a_200011218534_100000210202 [0,2,0,0,0,0|1,0,0]=3 3261 B9R0.17 CCCC(CCC)OCC 7a_200011218534_100000210202 [0,2,0,0,0,0|1,0,0]=3 3262 B9R0.17 CCCC(CCC)OCF 34a_200011218534_100015361967 [0,2,0,0,0,0|2,0,0]=4 3263 B9R0.17 CCCC(CCC)OCF 7a_200011218534_100015361967 [0,2,0,0,0,0|2,0,0]=4 3264 B9R0.17 CCCC(CCC)SCC 62a_100000210202_200011218217 [0,2,0,0,0,0|1,1,0]=4 3265 B9R0.17 CCCC(CCC)SCC 62a_200011218217_100000210202 [0,2,0,0,0,0|1,1,0]=4 3266 B9R0.17 CCCC(CCC)SCF 62a_100015361967_200011218217 [0,2,0,0,0,0|2,0,0]=4 3267 B9R0.17 CCCC(CCC)SCF 62a_200011218217_100015361967 [0,2,0,0,0,0|2,0,0]=4 3268 B9R0.17 CCC[C@@H](CCO)NCC 2230a_100015193777_100000210202 [0,2,0,0,0,0|2,0,0]=4 3269 B9R0.17 CCC[C@@H](CCO)NCC 34a_100015193777_100000210202 [0,2,0,0,0,0|2,0,0]=4 3270 B9R0.17 CCOC(CNC)OCC 2230a_106832991635_100000210512 [0,2,0,0,0,0|0,0,0]=2 3271 B9R0.17 CCOC(CNC)OCC 34a_100000211098_200000210301 [0,2,0,0,0,0|0,0,0]=2 3272 B9R0.17 CCOC(CNC)OCC 34a_100102657272_100000210512 [0,2,0,0,0,0|0,0,0]=2 3273 B9R0.17 CCOC(CNC)OCC 7a_106832991635_100000210512 [0,2,0,0,0,0|0,0,0]=2 3274 B9R0.17 CCOC(CN[13CH3])OCC 34a_100000211098_200025704644 [0,2,0,0,0,0|0,0,0]=2 3275 B9R0.17 CCOC(COC)COC 34a_100000766098_100000210202 [0,2,0,0,0,0|2,0,0]=4 3276 B9R0.17 CCOC(COC)OCC 34a_100011216334_200000210301 [0,2,0,0,0,0|0,0,0]=2 3277 B9R0.17 CCOC(COC)OCC 34a_100138415774_100000210512 [0,2,0,0,0,0|0,0,0]=2 3278 B9R0.17 CCOC(COC)OCC 7a_100011216334_200000210301 [0,2,0,0,0,0|0,0,0]=2 3279 B9R0.17 CCOC(CO[13CH3])OCC 34a_100011216334_200025704644 [0,2,0,0,0,0|0,0,0]=2 3280 B9R0.17 CCOC(CO[13CH3])OCC 7a_100011216334_200025704644 [0,2,0,0,0,0|0,0,0]=2 3281 B9R0.17 CCOC(CSC)CSC 7a_200000036665_100000210202 [0,2,0,0,0,0|2,0,0]=4 3282 B9R0.17 CCOC(CSC)OCC 62a_100000210512_200000210301 [0,2,0,0,0,0|0,0,0]=2 3283 B9R0.17 CCOC(CSC)OCC 62a_200000210301_100000210512 [0,2,0,0,0,0|0,0,0]=2 3284 B9R0.17 CCOC(CS[13CH3])OCC 62a_100000210512_200025704644 [0,2,0,0,0,0|0,0,0]=2 3285 B9R0.17 CCOC(CS[13CH3])OCC 62a_200025704644_100000210512 [0,2,0,0,0,0|0,0,0]=2 3286 B9R0.59 CCCC(C)(CC)OCC 7a_200011215934_100000210202 [0,2,0,0,0,0|1,0,0]=3 3287 B9R0.59 CCCC(C)(CC)OCF 7a_200011215934_100015361967 [0,2,0,0,0,0|2,0,0]=4 3288 B9R0.59 CCCC(C)(CC)SCC 62a_100000210202_200000040151 [0,2,0,0,0,0|1,1,0]=4 3289 B9R0.59 CCCC(C)(CC)SCC 62a_200000040151_100000210202 [0,2,0,0,0,0|1,1,0]=4 3290 B9R0.59 CCCC(C)(CCC)OC 7a_200011219694_200000210301 [0,2,0,0,0,0|2,0,0]=4 3291 B9R0.59 CCCC(C)(CCC)O[13CH3] 7a_200011219694_200025704644 [0,2,0,0,0,0|2,0,0]=4 3292 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [1,0,0,1,0,0|2,0,0]=4 3293 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [1,0,0,1,0,0|2,0,0]=4 3294 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [1,0,0,1,0,0|2,0,0]=4 3295 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [1,0,0,1,0,0|2,0,0]=4 3296 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [1,0,0,1,0,0|2,0,0]=4 3297 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [1,0,0,1,0,0|2,0,0]=4 3298 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [1,0,0,1,0,0|2,0,0]=4 3299 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [1,0,0,1,0,0|2,0,0]=4 3300 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [1,0,0,1,0,0|1,0,0]=3 3301 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [1,0,0,1,0,0|1,0,0]=3 3302 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [1,0,0,1,0,0|1,0,0]=3 3303 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [1,0,0,1,0,0|0,0,0]=2 3304 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [1,0,0,1,0,0|2,0,0]=4 3305 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [1,0,0,1,0,0|2,0,0]=4 3306 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [1,0,0,1,0,0|2,0,0]=4 3307 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [1,0,0,1,0,0|1,1,0]=4 3308 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [1,0,0,1,0,0|1,1,0]=4 3309 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [1,0,0,1,0,0|2,0,0]=4 3310 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [1,0,0,1,0,0|2,0,0]=4 3311 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [1,0,0,1,0,0|1,0,0]=3 3312 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [1,0,0,1,0,0|1,0,0]=3 3313 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [1,0,0,1,0,0|0,0,0]=2 3314 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [1,0,0,1,0,0|2,0,0]=4 3315 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [1,0,0,1,0,0|2,0,0]=4 3316 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [1,0,0,1,0,0|1,1,0]=4 3317 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [1,0,0,1,0,0|1,1,0]=4 3318 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 3319 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 3320 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 3321 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 3322 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 3323 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 3324 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [1,0,0,1,0,0|1,1,0]=4 3325 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [1,0,0,1,0,0|1,1,0]=4 3326 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [1,0,0,1,0,0|1,1,0]=4 3327 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [1,0,0,1,0,0|1,1,0]=4 3328 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [1,0,0,1,0,0|1,1,0]=4 3329 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [1,0,0,1,0,0|1,1,0]=4 3330 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [1,0,0,1,0,0|2,0,0]=4 3331 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [1,0,0,1,0,0|2,0,0]=4 3332 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [1,0,0,1,0,0|2,0,0]=4 3333 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [1,0,0,1,0,0|2,0,0]=4 3334 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [1,0,0,1,0,0|2,0,0]=4 3335 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [1,0,0,1,0,0|2,0,0]=4 3336 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [1,0,0,1,0,0|2,0,0]=4 3337 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [1,0,0,1,0,0|2,0,0]=4 3338 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [1,0,0,1,0,0|2,0,0]=4 3339 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [1,0,0,1,0,0|2,0,0]=4 3340 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [1,0,0,1,0,0|2,0,0]=4 3341 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [1,0,0,1,0,0|2,0,0]=4 3342 B7R1.5 CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210202 [1,0,0,1,0,0|2,0,0]=4 3343 B7R1.5 CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210202 [1,0,0,1,0,0|2,0,0]=4 3344 B7R1.5 CCN[C@@H]1C[C@H]1F 34a_100025746932_100000210202 [1,0,0,1,0,0|2,0,0]=4 3345 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [1,0,0,1,0,0|2,0,0]=4 3346 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [1,0,0,1,0,0|2,0,0]=4 3347 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [1,0,0,1,0,0|2,0,0]=4 3348 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [1,0,0,1,0,0|1,0,0]=3 3349 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [1,0,0,1,0,0|1,0,0]=3 3350 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [1,0,0,1,0,0|1,0,0]=3 3351 B7R1.6 CCNC1COC1 2230a_100016991112_100000210202 [1,0,0,1,0,0|2,0,0]=4 3352 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [1,0,0,1,0,0|0,0,0]=2 3353 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [1,0,0,1,0,0|0,0,0]=2 3354 B7R1.6 CCOC1COC1 34a_100121572206_100009818527 [1,0,0,1,0,0|1,0,0]=3 3355 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [1,0,0,1,0,0|1,0,0]=3 3356 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [1,0,0,1,0,0|0,1,0]=3 3357 B7R1.6 CCSC1COC1 62a_100000210202_100009818527 [1,0,0,1,0,0|1,1,0]=4 3358 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [1,0,0,1,0,0|2,0,0]=4 3359 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [1,0,0,1,0,0|2,0,0]=4 3360 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [1,0,0,1,0,0|2,0,0]=4 3361 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [1,0,0,1,0,0|2,0,0]=4 3362 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [1,0,0,1,0,0|2,0,0]=4 3363 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [1,0,0,1,0,0|2,0,0]=4 3364 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [1,0,0,1,0,0|2,0,0]=4 3365 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [1,0,0,1,0,0|2,0,0]=4 3366 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [1,0,0,1,0,0|2,0,0]=4 3367 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [1,0,0,1,0,0|2,0,0]=4 3368 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [1,0,0,1,0,0|2,0,0]=4 3369 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [1,0,0,1,0,0|2,0,0]=4 3370 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [1,0,0,1,0,0|2,0,0]=4 3371 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [1,0,0,1,0,0|2,0,0]=4 3372 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [1,0,0,1,0,0|2,0,0]=4 3373 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [1,0,0,1,0,0|2,0,0]=4 3374 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [1,0,0,1,0,0|2,0,0]=4 3375 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [1,0,0,1,0,0|2,0,0]=4 3376 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [1,0,0,1,0,0|2,0,0]=4 3377 B7R1.6 FCNC1CCC1 34a_100000749019_100015361967 [1,0,0,1,0,0|2,0,0]=4 3378 B7R1.6 FCOC1CCC1 34a_100000748187_100015361967 [1,0,0,1,0,0|1,0,0]=3 3379 B7R1.6 FCOC1CSC1 7a_100000072292_100015361967 [1,0,0,1,0,0|2,0,0]=4 3380 B7R1.6 FCSC1CCC1 62a_100015361967_100000749161 [1,0,0,1,0,0|1,1,0]=4 3381 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [1,0,0,1,0,0|2,0,0]=4 3382 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [1,0,0,1,0,0|2,0,0]=4 3383 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [1,0,0,1,0,0|2,0,0]=4 3384 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [1,0,0,1,0,0|2,0,0]=4 3385 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [1,0,0,1,0,0|2,0,0]=4 3386 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [1,0,0,1,0,0|2,0,0]=4 3387 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [1,0,0,1,0,0|2,0,0]=4 3388 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [1,0,0,1,0,0|2,0,0]=4 3389 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [1,0,0,1,0,0|2,0,0]=4 3390 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [1,0,0,1,0,0|2,0,0]=4 3391 B7R1.8 CC1CCN1CF 269982a_100000755817_100015361967 [1,0,0,1,0,0|2,0,0]=4 3392 B7R1.8 CC1CCN1CF 34a_100000755817_100015361967 [1,0,0,1,0,0|2,0,0]=4 3393 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [1,0,0,1,0,0|1,0,0]=3 3394 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [1,0,0,1,0,0|1,0,0]=3 3395 B7R1.10 CCC1CN(C1)C 2230a_100015205115_200000210301 [1,0,0,1,0,0|2,0,0]=4 3396 B7R1.10 CCC1CN(C1)C 269982a_100015205115_200000210301 [1,0,0,1,0,0|2,0,0]=4 3397 B7R1.10 CCC1CN(C1)[13CH3] 2230a_100015205115_200025704644 [1,0,0,1,0,0|2,0,0]=4 3398 B7R1.10 CCC1CN(C1)[13CH3] 269982a_100015205115_200025704644 [1,0,0,1,0,0|2,0,0]=4 3399 B7R1.10 CCN1CC(C1)C 2230a_100000702820_100000210202 [1,0,0,1,0,0|2,0,0]=4 3400 B7R1.10 CCN1CC(C1)C 269982a_100000702820_100000204670 [1,0,0,1,0,0|2,0,0]=4 3401 B7R1.10 CCN1CC(C1)C 34a_100000702820_100000210202 [1,0,0,1,0,0|2,0,0]=4 3402 B7R1.10 COC1CN(C1)C 269982a_100000755009_200000210301 [1,0,0,1,0,0|2,0,0]=4 3403 B7R1.10 COC1CN(C1)[13CH3] 269982a_100000755009_200025704644 [1,0,0,1,0,0|2,0,0]=4 3404 B7R1.21 CC1(CC1)CN[13CH3] 2230a_100000766693_200025704644 [1,0,0,1,0,0|2,0,0]=4 3405 B7R1.21 CC1(CC1)CO[13CH3] 7a_100000698024_200025704644 [1,0,0,1,0,0|2,0,0]=4 3406 B7R1.21 CC1(CC1)OCF 7a_100011725673_100015361967 [1,0,0,1,0,0|1,0,0]=3 3407 B7R1.21 CC1(CO1)CS[13CH3] 62a_100000760498_200025704644 [1,0,0,1,0,0|2,0,0]=4 3408 B7R1.21 CC1(CO1)CS[13CH3] 62a_200025704644_100000760498 [1,0,0,1,0,0|2,0,0]=4 3409 B7R1.21 CCNC1(CC1)C 2230a_100000757604_100000210202 [1,0,0,1,0,0|1,0,0]=3 3410 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [1,0,0,1,0,0|0,0,0]=2 3411 B7R1.21 CNCC1(CC1)C 2230a_100000766693_200000210301 [1,0,0,1,0,0|2,0,0]=4 3412 B7R1.21 CNCC1(CO1)C 34a_100102657272_100000760498 [1,0,0,1,0,0|2,0,0]=4 3413 B7R1.21 COCC1(CC1)C 7a_100000698024_200000210301 [1,0,0,1,0,0|2,0,0]=4 3414 B7R1.21 COCC1(CO1)C 34a_100138415774_100000760498 [1,0,0,1,0,0|2,0,0]=4 3415 B7R1.21 CSCC1(CO1)C 62a_100000760498_200000210301 [1,0,0,1,0,0|2,0,0]=4 3416 B7R1.21 CSCC1(CO1)C 62a_200000210301_100000760498 [1,0,0,1,0,0|2,0,0]=4 3417 B7R1.22 CC(N[13CH3])C1CC1 2230a_100000700016_200025704644 [1,0,0,1,0,0|2,0,0]=4 3418 B7R1.22 CC(N[13CH3])C1CC1 34a_100000700016_200025704644 [1,0,0,1,0,0|2,0,0]=4 3419 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [1,0,0,1,0,0|1,0,0]=3 3420 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [1,0,0,1,0,0|1,0,0]=3 3421 B7R1.22 CCN(C)C1CC1 2230a_100000226674_100000210202 [1,0,0,1,0,0|2,0,0]=4 3422 B7R1.22 CCN(C)C1CC1 2230a_100000738653_200000210301 [1,0,0,1,0,0|2,0,0]=4 3423 B7R1.22 CCN(C)C1CC1 269982a_100000225621_100000211595 [1,0,0,1,0,0|2,0,0]=4 3424 B7R1.22 CCN(C)C1CC1 269982a_100000226674_100000204670 [1,0,0,1,0,0|2,0,0]=4 3425 B7R1.22 CCN(C)C1CC1 269982a_100000738653_200000210301 [1,0,0,1,0,0|2,0,0]=4 3426 B7R1.22 CCN([13CH3])C1CC1 2230a_100000738653_200025704644 [1,0,0,1,0,0|2,0,0]=4 3427 B7R1.22 CCN([13CH3])C1CC1 269982a_100000738653_200025704644 [1,0,0,1,0,0|2,0,0]=4 3428 B7R1.22 CNC(C)C1CC1 2230a_100000700016_200000210301 [1,0,0,1,0,0|2,0,0]=4 3429 B7R1.22 CNC(C)C1CC1 269862a_106832991636_100000210639 [1,0,0,1,0,0|2,0,0]=4 3430 B7R1.22 CNC(C)C1CC1 34a_100000700016_200000210301 [1,0,0,1,0,0|2,0,0]=4 3431 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [1,0,0,1,0,0|1,0,0]=3 3432 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [1,0,0,1,0,0|1,0,0]=3 3433 B7R1.25 CC1(CCC1)N[13CH3] 2230a_100000692455_200025704644 [1,0,0,1,0,0|2,0,0]=4 3434 B7R1.25 CC1(CCC1)N[13CH3] 34a_100000692455_200025704644 [1,0,0,1,0,0|2,0,0]=4 3435 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [1,0,0,1,0,0|1,0,0]=3 3436 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [1,0,0,1,0,0|1,0,0]=3 3437 B7R1.25 CC1(CSC1)O[13CH3] 7a_100016018533_200025704644 [1,0,0,1,0,0|2,0,0]=4 3438 B7R1.25 CNC1(CCC1)C 2230a_100000692455_200000210301 [1,0,0,1,0,0|2,0,0]=4 3439 B7R1.25 CNC1(CCC1)C 34a_100000692455_200000210301 [1,0,0,1,0,0|2,0,0]=4 3440 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [1,0,0,1,0,0|1,0,0]=3 3441 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [1,0,0,1,0,0|1,0,0]=3 3442 B7R1.25 COC1(CSC1)C 7a_100016018533_200000210301 [1,0,0,1,0,0|2,0,0]=4 3443 B7R1.7 CCNCC1CC1 2230a_100000735609_100000210202 [1,0,0,1,0,0|2,0,0]=4 3444 B7R1.7 CCNCC1CC1 2230a_100015525214_100000742324 [1,0,0,1,0,0|2,0,0]=4 3445 B7R1.7 CCNCC1CC1 269862a_100015525214_100000741477 [1,0,0,1,0,0|2,0,0]=4 3446 B7R1.7 CCNCC1CC1 34a_100000735609_100000210202 [1,0,0,1,0,0|2,0,0]=4 3447 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [1,0,0,1,0,0|1,0,0]=3 3448 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [1,0,0,1,0,0|1,0,0]=3 3449 B7R1.7 CCOCC1CO1 34a_100121572206_102125554688 [1,0,0,1,0,0|2,0,0]=4 3450 B7R1.7 CCOC[C@@H]1CO1 34a_100000757423_100000210202 [1,0,0,1,0,0|2,0,0]=4 3451 B7R1.7 CCSCC1CC1 62a_100000210202_100000742324 [1,0,0,1,0,0|1,1,0]=4 3452 B7R1.7 CCSCC1CC1 62a_100000756562_100000210202 [1,0,0,1,0,0|1,1,0]=4 3453 B7R1.7 FCOCC1CC1 34a_100000211283_100015361967 [1,0,0,1,0,0|2,0,0]=4 3454 B9R1.2 CC1CC(CCO1)O[13CH3] 34a_100011986385_200025704644 [0,1,0,1,0,0|1,0,0]=3 3455 B9R1.2 CC1CC(CCO1)O[13CH3] 7a_100011986385_200025704644 [0,1,0,1,0,0|1,0,0]=3 3456 B9R1.2 CC1CCCC(C1)N[13CH3] 2230a_100011194320_200025704644 [0,1,0,1,0,0|2,0,0]=4 3457 B9R1.2 CC1CCCC(C1)N[13CH3] 34a_100011194320_200025704644 [0,1,0,1,0,0|2,0,0]=4 3458 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [0,1,0,1,0,0|2,0,0]=4 3459 B9R1.2 CC1CN(CCO1)CF 269982a_100000729577_100015361967 [0,1,0,1,0,0|2,0,0]=4 3460 B9R1.2 CC1CN(CCO1)CF 34a_100000729577_100015361967 [0,1,0,1,0,0|2,0,0]=4 3461 B9R1.2 CCC1CN(CCO1)C 2230a_100000736320_200000210301 [0,1,0,1,0,0|2,0,0]=4 3462 B9R1.2 CCC1CN(CCO1)C 269982a_100000736320_200000210301 [0,1,0,1,0,0|2,0,0]=4 3463 B9R1.2 CCC1CN(CCO1)C 34a_100000736320_200000210301 [0,1,0,1,0,0|2,0,0]=4 3464 B9R1.2 CCC1CN(CCO1)[13CH3] 2230a_100000736320_200025704644 [0,1,0,1,0,0|2,0,0]=4 3465 B9R1.2 CCC1CN(CCO1)[13CH3] 269982a_100000736320_200025704644 [0,1,0,1,0,0|2,0,0]=4 3466 B9R1.2 CCC1CN(CCO1)[13CH3] 34a_100000736320_200025704644 [0,1,0,1,0,0|2,0,0]=4 3467 B9R1.2 CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210202 [0,1,0,1,0,0|2,0,0]=4 3468 B9R1.2 CCN1CCC[C@@H](C1)C 269982a_100000717927_100000204670 [0,1,0,1,0,0|2,0,0]=4 3469 B9R1.2 CCN1CCC[C@@H](C1)C 34a_100000717927_100000210202 [0,1,0,1,0,0|2,0,0]=4 3470 B9R1.2 CCN1CCOC(C1)C 2230a_100000729577_100000210202 [0,1,0,1,0,0|1,0,0]=3 3471 B9R1.2 CCN1CCOC(C1)C 269982a_100000729577_100000204670 [0,1,0,1,0,0|1,0,0]=3 3472 B9R1.2 CCN1CCOC(C1)C 34a_100000729577_100000210202 [0,1,0,1,0,0|1,0,0]=3 3473 B9R1.2 CCN1CCOC(C1)O 2230a_100000688207_100000210202 [0,1,0,1,0,0|2,0,0]=4 3474 B9R1.2 CCN1CCOC(C1)O 269982a_100000688207_100000204670 [0,1,0,1,0,0|2,0,0]=4 3475 B9R1.2 CN1CCO[C@@H](C1)CO 2230a_100015189573_200000210301 [0,1,0,1,0,0|2,0,0]=4 3476 B9R1.2 CN1CCO[C@@H](C1)CO 269982a_100015189573_200000210301 [0,1,0,1,0,0|2,0,0]=4 3477 B9R1.2 CN1CCO[C@@H](C1)CO 34a_100015189573_200000210301 [0,1,0,1,0,0|2,0,0]=4 3478 B9R1.2 CNC1CCCC(C1)C 2230a_100011194320_200000210301 [0,1,0,1,0,0|2,0,0]=4 3479 B9R1.2 CNC1CCCC(C1)C 270004a_106832991635_100000183594 [0,1,0,1,0,0|2,0,0]=4 3480 B9R1.2 CNC1CCCC(C1)C 34a_100011194320_200000210301 [0,1,0,1,0,0|2,0,0]=4 3481 B9R1.2 CNC1CCN[C@@H](C1)C 270004a_106832991635_100016994030 [0,1,0,1,0,0|2,0,0]=4 3482 B9R1.2 CNC1CCOC(C1)C 270004a_106832991635_100000755752 [0,1,0,1,0,0|1,0,0]=3 3483 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [0,1,0,1,0,0|2,0,0]=4 3484 B9R1.2 COC1CCOC(C1)C 34a_100011986385_200000210301 [0,1,0,1,0,0|1,0,0]=3 3485 B9R1.2 COC1CCOC(C1)C 7a_100011986385_200000210301 [0,1,0,1,0,0|1,0,0]=3 3486 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 2230a_100015189573_200025704644 [0,1,0,1,0,0|2,0,0]=4 3487 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 269982a_100015189573_200025704644 [0,1,0,1,0,0|2,0,0]=4 3488 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 34a_100015189573_200025704644 [0,1,0,1,0,0|2,0,0]=4 3489 B9R1.7 CC1CCC(C1)OCF 34a_100000698185_100015361967 [0,1,0,1,0,0|2,0,0]=4 3490 B9R1.7 CCNC1CCC(C1)C 270004a_100015525214_100011215218 [0,1,0,1,0,0|2,0,0]=4 3491 B9R1.7 CCNC1CCC(C1)O 270004a_100015525214_100012614533 [0,1,0,1,0,0|2,0,0]=4 3492 B9R1.7 CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210202 [0,1,0,1,0,0|2,0,0]=4 3493 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,1,0,1,0,0|1,0,1]=4 3494 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [0,1,0,1,0,0|1,0,0]=3 3495 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,1,0,1,0,0|1,0,1]=4 3496 B9R1.7 CCO[C@H]1CCN(C1)C 2230a_100011787710_200000210301 [0,1,0,1,0,0|1,0,0]=3 3497 B9R1.7 CCO[C@H]1CCN(C1)C 269982a_100011787710_200000210301 [0,1,0,1,0,0|1,0,0]=3 3498 B9R1.7 CCO[C@H]1CCN(C1)C 34a_100011787710_200000210301 [0,1,0,1,0,0|1,0,0]=3 3499 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 2230a_100011787710_200025704644 [0,1,0,1,0,0|1,0,0]=3 3500 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 269982a_100011787710_200025704644 [0,1,0,1,0,0|1,0,0]=3 3501 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 34a_100011787710_200025704644 [0,1,0,1,0,0|1,0,0]=3 3502 B9R1.7 CCSC1CCN(C1)C 62a_100000210202_200012183744 [0,1,0,1,0,0|1,1,0]=4 3503 B9R1.8 CCCN1CCCOC1 2230a_100000131196_100000210303 [0,1,0,1,0,0|2,0,0]=4 3504 B9R1.8 CCCN1CCCOC1 269982a_100000131196_100000210303 [0,1,0,1,0,0|2,0,0]=4 3505 B9R1.8 CCCN1CCCOC1 34a_100000131196_100000210303 [0,1,0,1,0,0|2,0,0]=4 3506 B9R1.8 CCNC1C=CCCC1 2230a_100015525214_100000751183 [0,1,0,1,0,0|2,0,0]=4 3507 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [0,1,0,1,0,0|2,0,0]=4 3508 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [0,1,0,1,0,0|2,0,0]=4 3509 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [0,1,0,1,0,0|2,0,0]=4 3510 B9R1.8 CCNC1CCCOC1 2230a_100000719290_100000210202 [0,1,0,1,0,0|1,0,0]=3 3511 B9R1.8 CCNC1CCCOC1 270004a_100015525214_100000753404 [0,1,0,1,0,0|1,0,0]=3 3512 B9R1.8 CCNC1CCCOC1 34a_100000719290_100000210202 [0,1,0,1,0,0|1,0,0]=3 3513 B9R1.8 CCNC1CCCSC1 270004a_100015525214_100000057913 [0,1,0,1,0,0|1,1,0]=4 3514 B9R1.8 CCNC1CCNCC1 270004a_100015525214_100015192401 [0,1,0,1,0,0|2,0,0]=4 3515 B9R1.8 CCNC1CCOCC1 2230a_100000741149_100000210202 [0,1,0,1,0,0|2,0,0]=4 3516 B9R1.8 CCNC1CCOCC1 270004a_100015525214_100011217826 [0,1,0,1,0,0|2,0,0]=4 3517 B9R1.8 CCNC1CCOCC1 34a_100000741149_100000210202 [0,1,0,1,0,0|2,0,0]=4 3518 B9R1.8 CCNC1CCSCC1 2230a_100000748639_100000210202 [0,1,0,1,0,0|2,0,0]=4 3519 B9R1.8 CCNC1CCSCC1 270004a_100015525214_100000203788 [0,1,0,1,0,0|2,0,0]=4 3520 B9R1.8 CCNC1CCSCC1 34a_100000748639_100000210202 [0,1,0,1,0,0|2,0,0]=4 3521 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [0,1,0,1,0,0|1,0,0]=3 3522 B9R1.8 CCOC1CC=CCC1 34a_100000073881_100000210202 [0,1,0,1,0,0|1,0,1]=4 3523 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [0,1,0,1,0,0|1,0,0]=3 3524 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [0,1,0,1,0,0|1,0,0]=3 3525 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [0,1,0,1,0,0|1,0,0]=3 3526 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [0,1,0,1,0,0|0,0,0]=2 3527 B9R1.8 CCOC1CCCOC1 34a_100000754041_100000210202 [0,1,0,1,0,0|0,0,0]=2 3528 B9R1.8 CCOC1CCCOC1 34a_100121572206_100000693364 [0,1,0,1,0,0|0,0,0]=2 3529 B9R1.8 CCOC1CCCSC1 7a_100015962668_100000210202 [0,1,0,1,0,0|0,1,0]=3 3530 B9R1.8 CCOC1CCOCC1 34a_100000744328_100000210202 [0,1,0,1,0,0|1,0,0]=3 3531 B9R1.8 CCOC1CCSCC1 34a_100000731022_100000210202 [0,1,0,1,0,0|1,0,0]=3 3532 B9R1.8 CCOC1CCSCC1 34a_100121572206_100000069128 [0,1,0,1,0,0|1,0,0]=3 3533 B9R1.8 CCOC1CCSCC1 7a_100000731022_100000210202 [0,1,0,1,0,0|1,0,0]=3 3534 B9R1.8 CCSC1C=CCCC1 62a_100000210202_100000751183 [0,1,0,1,0,0|1,1,0]=4 3535 B9R1.8 CCSC1C=CCCC1 62a_100000751183_100000210202 [0,1,0,1,0,0|1,1,0]=4 3536 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [0,1,0,1,0,0|1,1,0]=4 3537 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [0,1,0,1,0,0|1,1,0]=4 3538 B9R1.8 CCSC1CCCOC1 62a_100000210202_100000693364 [0,1,0,1,0,0|0,1,0]=3 3539 B9R1.8 CCSC1CCOCC1 62a_100000210202_100011324220 [0,1,0,1,0,0|1,1,0]=4 3540 B9R1.8 CCSC1CCSCC1 62a_100000210202_100000069128 [0,1,0,1,0,0|1,1,0]=4 3541 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [0,1,0,1,0,0|2,0,0]=4 3542 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [0,1,0,1,0,0|2,0,0]=4 3543 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [0,1,0,1,0,0|2,0,0]=4 3544 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [0,1,0,1,0,0|2,0,0]=4 3545 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [0,1,0,1,0,0|2,0,0]=4 3546 B9R1.8 CNCC1CCCOC1 2230a_100000720124_200000210301 [0,1,0,1,0,0|2,0,0]=4 3547 B9R1.8 CNCC1CCCOC1 2230a_106832991635_100000741521 [0,1,0,1,0,0|2,0,0]=4 3548 B9R1.8 CNCC1CCCOC1 34a_100000720124_200000210301 [0,1,0,1,0,0|2,0,0]=4 3549 B9R1.8 CNCC1CCCOC1 34a_100102657272_100000741521 [0,1,0,1,0,0|2,0,0]=4 3550 B9R1.8 CNCC1CCCOC1 7a_106832991635_100000741521 [0,1,0,1,0,0|2,0,0]=4 3551 B9R1.8 CNC[C@H]1COCCO1 2230a_100010981119_200000210301 [0,1,0,1,0,0|2,0,0]=4 3552 B9R1.8 CNC[C@H]1COCCO1 34a_100010981119_200000210301 [0,1,0,1,0,0|2,0,0]=4 3553 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [0,1,0,1,0,0|2,0,0]=4 3554 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [0,1,0,1,0,0|2,0,0]=4 3555 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [0,1,0,1,0,0|2,0,0]=4 3556 B9R1.8 COCC1CCCOC1 34a_100000741520_200000210301 [0,1,0,1,0,0|2,0,0]=4 3557 B9R1.8 COCC1CCCOC1 34a_100138415774_100000741521 [0,1,0,1,0,0|2,0,0]=4 3558 B9R1.8 COC[C@@H]1CNCCO1 34a_100015189573_200000210301 [0,1,0,1,0,0|2,0,0]=4 3559 B9R1.8 COC[C@H]1COCCO1 34a_100009875890_200000210301 [0,1,0,1,0,0|2,0,0]=4 3560 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [0,1,0,1,0,0|2,0,0]=4 3561 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [0,1,0,1,0,0|2,0,0]=4 3562 B9R1.8 CSCC1CCCOC1 62a_100000741521_200000210301 [0,1,0,1,0,0|2,0,0]=4 3563 B9R1.8 CSCC1CCCOC1 62a_200000210301_100000741521 [0,1,0,1,0,0|2,0,0]=4 3564 B9R1.8 FCNC1CCCOC1 34a_100000719290_100015361967 [0,1,0,1,0,0|2,0,0]=4 3565 B9R1.8 FCOC1C=CCCC1 34a_100011215024_100015361967 [0,1,0,1,0,0|2,0,0]=4 3566 B9R1.8 FCOC1CCCCC1 34a_100000210231_100015361967 [0,1,0,1,0,0|2,0,0]=4 3567 B9R1.8 FCOC1CCCCC1 7a_100000210231_100015361967 [0,1,0,1,0,0|2,0,0]=4 3568 B9R1.8 FCOC1CCCCO1 34a_100000033831_100015361967 [0,1,0,1,0,0|1,0,0]=3 3569 B9R1.8 FCOC1CCCOC1 34a_100000754041_100015361967 [0,1,0,1,0,0|1,0,0]=3 3570 B9R1.8 FCOC1CCCSC1 7a_100015962668_100015361967 [0,1,0,1,0,0|1,1,0]=4 3571 B9R1.8 FCOC1CCOCC1 34a_100000744328_100015361967 [0,1,0,1,0,0|2,0,0]=4 3572 B9R1.8 FCOC1CCSCC1 34a_100000731022_100015361967 [0,1,0,1,0,0|2,0,0]=4 3573 B9R1.8 FCOC1CCSCC1 7a_100000731022_100015361967 [0,1,0,1,0,0|2,0,0]=4 3574 B9R1.8 FCSC1CCCOC1 62a_100015361967_100000693364 [0,1,0,1,0,0|1,1,0]=4 3575 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [0,1,0,1,0,0|2,0,0]=4 3576 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [0,1,0,1,0,0|2,0,0]=4 3577 B9R1.8 [13CH3]NCC1CCCOC1 2230a_100000720124_200025704644 [0,1,0,1,0,0|2,0,0]=4 3578 B9R1.8 [13CH3]NCC1CCCOC1 34a_100000720124_200025704644 [0,1,0,1,0,0|2,0,0]=4 3579 B9R1.8 [13CH3]NC[C@H]1COCCO1 2230a_100010981119_200025704644 [0,1,0,1,0,0|2,0,0]=4 3580 B9R1.8 [13CH3]NC[C@H]1COCCO1 34a_100010981119_200025704644 [0,1,0,1,0,0|2,0,0]=4 3581 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [0,1,0,1,0,0|2,0,0]=4 3582 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [0,1,0,1,0,0|2,0,0]=4 3583 B9R1.8 [13CH3]OCC1CCCOC1 34a_100000741520_200025704644 [0,1,0,1,0,0|2,0,0]=4 3584 B9R1.8 [13CH3]OC[C@@H]1CNCCO1 34a_100015189573_200025704644 [0,1,0,1,0,0|2,0,0]=4 3585 B9R1.8 [13CH3]OC[C@H]1COCCO1 34a_100009875890_200025704644 [0,1,0,1,0,0|2,0,0]=4 3586 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [0,1,0,1,0,0|2,0,0]=4 3587 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [0,1,0,1,0,0|2,0,0]=4 3588 B9R1.8 [13CH3]SCC1CCCOC1 62a_100000741521_200025704644 [0,1,0,1,0,0|2,0,0]=4 3589 B9R1.8 [13CH3]SCC1CCCOC1 62a_200025704644_100000741521 [0,1,0,1,0,0|2,0,0]=4 3590 B9R1.9 CCCOC1CN(C1)C 269982a_200020626125_200000210301 [0,1,0,1,0,0|2,0,0]=4 3591 B9R1.9 CCCOC1CN(C1)C 34a_200020626125_200000210301 [0,1,0,1,0,0|2,0,0]=4 3592 B9R1.9 CCCOC1CN(C1)[13CH3] 269982a_200020626125_200025704644 [0,1,0,1,0,0|2,0,0]=4 3593 B9R1.9 CCCOC1CN(C1)[13CH3] 34a_200020626125_200025704644 [0,1,0,1,0,0|2,0,0]=4 3594 B9R1.9 CCOCC1CC(C1)Cl 34a_100009874164_100000210202 [0,1,0,1,0,0|2,0,0]=4 3595 B9R1.9 CCOCN1CC(C1)C 269982a_100000702820_100000739092 [0,1,0,1,0,0|2,0,0]=4 3596 B9R1.12 BrCCOC1CCCC1 34a_100000211926_100000179811 [0,1,0,1,0,0|1,0,0]=3 3597 B9R1.12 BrCCOC1CCOC1 34a_100000211926_100000690089 [0,1,0,1,0,0|2,0,0]=4 3598 B9R1.12 C#CCOC1CCCC1 34a_100000210247_100000179811 [0,1,0,1,0,0|1,0,1]=4 3599 B9R1.12 C#CCOC1CCCC1 34a_100000210269_100000184674 [0,1,0,1,0,0|1,0,1]=4 3600 B9R1.12 C#CCOC1CCCC1 7a_100000210269_100000038162 [0,1,0,1,0,0|1,0,1]=4 3601 B9R1.12 C#CCOC1CCCO1 34a_100000085407_100000184674 [0,1,0,1,0,0|0,0,1]=3 3602 B9R1.12 C=CCOC1CCCC1 34a_100000210269_100015514636 [0,1,0,1,0,0|1,0,1]=4 3603 B9R1.12 C=CCOC1CCCC1 34a_200000210373_100000179811 [0,1,0,1,0,0|1,0,1]=4 3604 B9R1.12 C=CCOC1CCCC1 7a_100000210269_100015514636 [0,1,0,1,0,0|1,0,1]=4 3605 B9R1.12 C=CCOC1CCCO1 34a_100000085407_100015514636 [0,1,0,1,0,0|0,0,1]=3 3606 B9R1.12 CCCNC1CCCC1 2230a_100000211070_100000210303 [0,1,0,1,0,0|2,0,0]=4 3607 B9R1.12 CCCNC1CCCC1 270004a_100020643023_100000210133 [0,1,0,1,0,0|2,0,0]=4 3608 B9R1.12 CCCNC1CCCC1 34a_100000211070_100000210303 [0,1,0,1,0,0|2,0,0]=4 3609 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [0,1,0,1,0,0|1,0,0]=3 3610 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [0,1,0,1,0,0|1,0,0]=3 3611 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [0,1,0,1,0,0|1,0,0]=3 3612 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [0,1,0,1,0,0|0,0,0]=2 3613 B9R1.12 CCCOC1CCOC1 34a_100000210258_100000690089 [0,1,0,1,0,0|2,0,0]=4 3614 B9R1.12 CCCOC1CCSC1 7a_100011232664_100000210303 [0,1,0,1,0,0|2,0,0]=4 3615 B9R1.12 CCCO[C@H]1CCOC1 34a_100000717292_100000210303 [0,1,0,1,0,0|2,0,0]=4 3616 B9R1.12 CCCSC1CCCC1 62a_100000210303_100000179811 [0,1,0,1,0,0|1,1,0]=4 3617 B9R1.12 CCCSC1CCCC1 62a_100011217020_100000210303 [0,1,0,1,0,0|1,1,0]=4 3618 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [0,1,0,1,0,0|2,0,0]=4 3619 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [0,1,0,1,0,0|2,0,0]=4 3620 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [0,1,0,1,0,0|2,0,0]=4 3621 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [0,1,0,1,0,0|2,0,0]=4 3622 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [0,1,0,1,0,0|1,0,0]=3 3623 B9R1.12 CCNCC1OCCO1 2230a_100000036311_100000210202 [0,1,0,1,0,0|2,0,0]=4 3624 B9R1.12 CCNCC1OCCO1 2230a_100015525214_100000755774 [0,1,0,1,0,0|2,0,0]=4 3625 B9R1.12 CCNCC1OCCO1 34a_100000036311_100000210202 [0,1,0,1,0,0|2,0,0]=4 3626 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [0,1,0,1,0,0|1,0,0]=3 3627 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [0,1,0,1,0,0|1,0,0]=3 3628 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [0,1,0,1,0,0|1,0,0]=3 3629 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [0,1,0,1,0,0|1,0,0]=3 3630 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [0,1,0,1,0,0|1,0,0]=3 3631 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [0,1,0,1,0,0|0,0,0]=2 3632 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [0,1,0,1,0,0|0,0,0]=2 3633 B9R1.12 CCOCC1CCNC1 34a_100000748654_100000210202 [0,1,0,1,0,0|2,0,0]=4 3634 B9R1.12 CCOCC1CCOC1 34a_100000740260_100000210202 [0,1,0,1,0,0|2,0,0]=4 3635 B9R1.12 CCOCC1CCOC1 34a_100121572206_100011261433 [0,1,0,1,0,0|2,0,0]=4 3636 B9R1.12 CCOCC1COCO1 34a_100011216627_100000210202 [0,1,0,1,0,0|1,0,0]=3 3637 B9R1.12 CCOCC1OCCO1 34a_100000087154_100000210202 [0,1,0,1,0,0|1,0,0]=3 3638 B9R1.12 CCOCC1OCCO1 34a_100121572206_100000755774 [0,1,0,1,0,0|1,0,0]=3 3639 B9R1.12 CCOCN1CCCC1 269982a_100000188435_100000739092 [0,1,0,1,0,0|2,0,0]=4 3640 B9R1.12 CCOC[C@H]1CCCN1 34a_100000745186_100000210202 [0,1,0,1,0,0|1,0,0]=3 3641 B9R1.12 CCSCC1CCCC1 62a_100000210202_100000740388 [0,1,0,1,0,0|1,1,0]=4 3642 B9R1.12 CCSCC1CCCC1 62a_100000740388_100000210202 [0,1,0,1,0,0|1,1,0]=4 3643 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [0,1,0,1,0,0|0,1,0]=3 3644 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [0,1,0,1,0,0|0,1,0]=3 3645 B9R1.12 CCSCC1OCCO1 62a_100000210202_100000755774 [0,1,0,1,0,0|1,1,0]=4 3646 B9R1.12 CCSCC1OCCO1 62a_100000755774_100000210202 [0,1,0,1,0,0|1,1,0]=4 3647 B9R1.12 CNCCC1CCCC1 2230a_100000739158_200000210301 [0,1,0,1,0,0|2,0,0]=4 3648 B9R1.12 CNCCC1CCCC1 2230a_106832991635_100000760354 [0,1,0,1,0,0|2,0,0]=4 3649 B9R1.12 CNCCC1CCCC1 34a_100000739158_200000210301 [0,1,0,1,0,0|2,0,0]=4 3650 B9R1.12 CNCCC1CCCC1 34a_100102657272_100000760354 [0,1,0,1,0,0|2,0,0]=4 3651 B9R1.12 CNCCC1CCCC1 7a_106832991635_100000760354 [0,1,0,1,0,0|2,0,0]=4 3652 B9R1.12 CNCCC1OCCO1 2230a_100000034215_200000210301 [0,1,0,1,0,0|2,0,0]=4 3653 B9R1.12 CNCCC1OCCO1 2230a_106832991635_100000740749 [0,1,0,1,0,0|2,0,0]=4 3654 B9R1.12 CNCCC1OCCO1 34a_100000034215_200000210301 [0,1,0,1,0,0|2,0,0]=4 3655 B9R1.12 CNCCC1OCCO1 34a_100102657272_100000740749 [0,1,0,1,0,0|2,0,0]=4 3656 B9R1.12 CNCCC1OCCO1 7a_106832991635_100000740749 [0,1,0,1,0,0|2,0,0]=4 3657 B9R1.12 COCCC1CCCC1 34a_100000749090_200000210301 [0,1,0,1,0,0|2,0,0]=4 3658 B9R1.12 COCCC1CCCC1 34a_100138415774_100000760354 [0,1,0,1,0,0|2,0,0]=4 3659 B9R1.12 COCCC1CCCC1 7a_100000749090_200000210301 [0,1,0,1,0,0|2,0,0]=4 3660 B9R1.12 COCCC1OCCO1 34a_100138415774_100000740749 [0,1,0,1,0,0|2,0,0]=4 3661 B9R1.12 COCNC1CCCC1 2230a_100000211070_100000766300 [0,1,0,1,0,0|2,0,0]=4 3662 B9R1.12 COCSC1CCCC1 62a_100000766300_100000179811 [0,1,0,1,0,0|1,1,0]=4 3663 B9R1.12 COCSC1CCCC1 62a_100011217020_100000766300 [0,1,0,1,0,0|1,1,0]=4 3664 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [0,1,0,1,0,0|2,0,0]=4 3665 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [0,1,0,1,0,0|2,0,0]=4 3666 B9R1.12 CSCCC1OCCO1 62a_200000210301_100000740749 [0,1,0,1,0,0|2,0,0]=4 3667 B9R1.12 CSCNC1CCCC1 2230a_100000211070_100011218213 [0,1,0,1,0,0|2,0,0]=4 3668 B9R1.12 CSCNC1CCCC1 34a_100000211070_100011218213 [0,1,0,1,0,0|2,0,0]=4 3669 B9R1.12 CSCOC1CCCC1 34a_100000210269_100011218213 [0,1,0,1,0,0|1,0,0]=3 3670 B9R1.12 CSCOC1CCCO1 34a_100000085407_100011218213 [0,1,0,1,0,0|0,0,0]=2 3671 B9R1.12 CSCO[C@H]1CCOC1 34a_100000717292_100011218213 [0,1,0,1,0,0|2,0,0]=4 3672 B9R1.12 CSCSC1CCCC1 62a_100011217020_100011218213 [0,1,0,1,0,0|1,1,0]=4 3673 B9R1.12 CSCSC1CCCC1 62a_100011218213_100000179811 [0,1,0,1,0,0|1,1,0]=4 3674 B9R1.12 FCCNC1CCCC1 2230a_100000211070_100011217306 [0,1,0,1,0,0|2,0,0]=4 3675 B9R1.12 FCCNC1CCCC1 34a_100000211070_100011217306 [0,1,0,1,0,0|2,0,0]=4 3676 B9R1.12 FCCNC1CCCC1 34a_100000724931_100000179811 [0,1,0,1,0,0|2,0,0]=4 3677 B9R1.12 FCCOC1CCCC1 34a_100000210269_100011217306 [0,1,0,1,0,0|1,0,0]=3 3678 B9R1.12 FCCOC1CCCC1 7a_100000210269_100011217306 [0,1,0,1,0,0|1,0,0]=3 3679 B9R1.12 FCCOC1CCCO1 34a_100000085407_100011217306 [0,1,0,1,0,0|0,0,0]=2 3680 B9R1.12 FCCOC1CCSC1 7a_100011232664_100011217306 [0,1,0,1,0,0|2,0,0]=4 3681 B9R1.12 FCCO[C@H]1CCOC1 34a_100000717292_100011217306 [0,1,0,1,0,0|2,0,0]=4 3682 B9R1.12 FCCSC1CCCC1 62a_100011217020_100011217306 [0,1,0,1,0,0|1,1,0]=4 3683 B9R1.12 FCCSC1CCCC1 62a_100011217306_100000179811 [0,1,0,1,0,0|1,1,0]=4 3684 B9R1.12 FCNC[C@@H]1CCCO1 34a_100020590478_100015361967 [0,1,0,1,0,0|2,0,0]=4 3685 B9R1.12 FCOCC1CCCC1 34a_100000742336_100015361967 [0,1,0,1,0,0|2,0,0]=4 3686 B9R1.12 FCOCC1CCCC1 7a_100000742336_100015361967 [0,1,0,1,0,0|2,0,0]=4 3687 B9R1.12 FCOCC1CCCO1 34a_100000210270_100015361967 [0,1,0,1,0,0|1,0,0]=3 3688 B9R1.12 FCOCC1CCCO1 7a_100000210270_100015361967 [0,1,0,1,0,0|1,0,0]=3 3689 B9R1.12 FCOCC1COCO1 34a_100011216627_100015361967 [0,1,0,1,0,0|2,0,0]=4 3690 B9R1.12 FCOCC1OCCO1 34a_100000087154_100015361967 [0,1,0,1,0,0|2,0,0]=4 3691 B9R1.12 FCOC[C@H]1CCCN1 34a_100000745186_100015361967 [0,1,0,1,0,0|2,0,0]=4 3692 B9R1.12 FCSCC1CCCO1 62a_100000203698_100015361967 [0,1,0,1,0,0|1,1,0]=4 3693 B9R1.12 FCSCC1CCCO1 62a_100015361967_100000203698 [0,1,0,1,0,0|1,1,0]=4 3694 B9R1.12 N#CCOC1CCCC1 7a_100000210269_100011215382 [0,1,0,1,0,0|1,0,1]=4 3695 B9R1.12 NCCOC1CCCC1 34a_100000210304_100000179811 [0,1,0,1,0,0|1,0,0]=3 3696 B9R1.12 NCCOC1CCOC1 34a_100000210304_100000690089 [0,1,0,1,0,0|2,0,0]=4 3697 B9R1.12 O=CCOC1CCCC1 34a_100000210269_200009817547 [0,1,0,1,0,0|1,0,1]=4 3698 B9R1.12 O=CCOC1CCCC1 7a_100000210269_200015260668 [0,1,0,1,0,0|1,0,1]=4 3699 B9R1.12 O=CCOC1CCCO1 34a_100000085407_200009817547 [0,1,0,1,0,0|0,0,1]=3 3700 B9R1.12 OCCNC1CCCC1 2230a_100000211070_100000211926 [0,1,0,1,0,0|2,0,0]=4 3701 B9R1.12 OCCNC1CCCC1 2230a_100016997473_100000179811 [0,1,0,1,0,0|2,0,0]=4 3702 B9R1.12 OCCNC1CCCC1 270004a_100000210304_100000210133 [0,1,0,1,0,0|2,0,0]=4 3703 B9R1.12 OCCNC1CCCC1 34a_100000211070_100000211926 [0,1,0,1,0,0|2,0,0]=4 3704 B9R1.12 OCCNC1CCCC1 34a_100016990907_100000179811 [0,1,0,1,0,0|2,0,0]=4 3705 B9R1.12 OCCOC1CCCC1 34a_100000210269_100000211926 [0,1,0,1,0,0|1,0,0]=3 3706 B9R1.12 OCCOC1CCCC1 7a_100000210269_100000211926 [0,1,0,1,0,0|1,0,0]=3 3707 B9R1.12 OCCOC1CCCO1 34a_100000085407_100000211926 [0,1,0,1,0,0|0,0,0]=2 3708 B9R1.12 OCCOC1CCSC1 7a_100011232664_100000211926 [0,1,0,1,0,0|2,0,0]=4 3709 B9R1.12 OCCO[C@H]1CCOC1 34a_100000717292_100000211926 [0,1,0,1,0,0|2,0,0]=4 3710 B9R1.12 OCCSC1CCCC1 62a_100000211926_100000179811 [0,1,0,1,0,0|1,1,0]=4 3711 B9R1.12 OCCSC1CCCC1 62a_100011217020_100000211926 [0,1,0,1,0,0|1,1,0]=4 3712 B9R1.12 [13CH3]NCCC1CCCC1 2230a_100000739158_200025704644 [0,1,0,1,0,0|2,0,0]=4 3713 B9R1.12 [13CH3]NCCC1CCCC1 34a_100000739158_200025704644 [0,1,0,1,0,0|2,0,0]=4 3714 B9R1.12 [13CH3]NCCC1OCCO1 2230a_100000034215_200025704644 [0,1,0,1,0,0|2,0,0]=4 3715 B9R1.12 [13CH3]NCCC1OCCO1 34a_100000034215_200025704644 [0,1,0,1,0,0|2,0,0]=4 3716 B9R1.12 [13CH3]OCCC1CCCC1 34a_100000749090_200025704644 [0,1,0,1,0,0|2,0,0]=4 3717 B9R1.12 [13CH3]OCCC1CCCC1 7a_100000749090_200025704644 [0,1,0,1,0,0|2,0,0]=4 3718 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [0,1,0,1,0,0|2,0,0]=4 3719 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [0,1,0,1,0,0|2,0,0]=4 3720 B9R1.12 [13CH3]SCCC1OCCO1 62a_200025704644_100000740749 [0,1,0,1,0,0|2,0,0]=4 3721 B9R1.15 CCN1CCCCC1C 2230a_100000211376_100000210202 [0,1,0,1,0,0|2,0,0]=4 3722 B9R1.15 CCN1CCCCC1C 269982a_100000211376_100000204670 [0,1,0,1,0,0|2,0,0]=4 3723 B9R1.15 CCN1CCCCC1C 34a_100000211376_100000210202 [0,1,0,1,0,0|2,0,0]=4 3724 B9R1.15 CCN1CCOC[C@@H]1C 2230a_100009815349_100000210202 [0,1,0,1,0,0|1,0,0]=3 3725 B9R1.15 CCN1CCOC[C@@H]1C 269982a_100009815349_100000204670 [0,1,0,1,0,0|1,0,0]=3 3726 B9R1.15 CCN1CCOC[C@@H]1C 34a_100009815349_100000210202 [0,1,0,1,0,0|1,0,0]=3 3727 B9R1.15 CNC1CCOCC1C 270004a_106832991635_100000755695 [0,1,0,1,0,0|2,0,0]=4 3728 B9R1.15 C[C@H]1COCCN1CF 269982a_100009815349_100015361967 [0,1,0,1,0,0|2,0,0]=4 3729 B9R1.15 C[C@H]1COCCN1CF 34a_100009815349_100015361967 [0,1,0,1,0,0|2,0,0]=4 3730 B9R1.27 CCN1C(CCC1C)C 2230a_100000687148_100000210202 [0,1,0,1,0,0|2,0,0]=4 3731 B9R1.27 CCN1C(CCC1C)C 269982a_100000687148_100000204670 [0,1,0,1,0,0|2,0,0]=4 3732 B9R1.27 CCN1C(CCC1C)C 34a_100000687148_100000210202 [0,1,0,1,0,0|2,0,0]=4 3733 B9R1.33 CC1CCCC1OCF 34a_100011216460_100015361967 [0,1,0,1,0,0|2,0,0]=4 3734 B9R1.33 CC1CCCC1OCF 7a_100011216460_100015361967 [0,1,0,1,0,0|2,0,0]=4 3735 B9R1.33 CC1SCCN1CCF 2230a_200011216479_100011217306 [0,1,0,1,0,0|1,1,0]=4 3736 B9R1.33 CC1SCCN1CCF 269982a_200011216479_100011217306 [0,1,0,1,0,0|1,1,0]=4 3737 B9R1.33 CC1SCCN1CCF 34a_200011216479_100011217306 [0,1,0,1,0,0|1,1,0]=4 3738 B9R1.33 CC1SCCN1CCO 2230a_200011216479_100000211926 [0,1,0,1,0,0|1,1,0]=4 3739 B9R1.33 CC1SCCN1CCO 269982a_200011216479_100000211926 [0,1,0,1,0,0|1,1,0]=4 3740 B9R1.33 CC1SCCN1CCO 34a_200011216479_100000211926 [0,1,0,1,0,0|1,1,0]=4 3741 B9R1.33 CCCN1CCC[C@@H]1C 2230a_100020605311_100000210303 [0,1,0,1,0,0|2,0,0]=4 3742 B9R1.33 CCCN1CCC[C@@H]1C 269982a_100020605311_100000210303 [0,1,0,1,0,0|2,0,0]=4 3743 B9R1.33 CCCN1CCC[C@H]1C 2230a_100015189458_100000210303 [0,1,0,1,0,0|2,0,0]=4 3744 B9R1.33 CCCN1CCC[C@H]1C 269982a_100015189458_100000210303 [0,1,0,1,0,0|2,0,0]=4 3745 B9R1.33 CCCN1CCC[C@H]1C 34a_100015189458_100000210303 [0,1,0,1,0,0|2,0,0]=4 3746 B9R1.33 CCCN1CCSC1C 2230a_200011216479_100000210303 [0,1,0,1,0,0|1,1,0]=4 3747 B9R1.33 CCCN1CCSC1C 269982a_200011216479_100000210303 [0,1,0,1,0,0|1,1,0]=4 3748 B9R1.33 CCCN1CCSC1C 34a_200011216479_100000210303 [0,1,0,1,0,0|1,1,0]=4 3749 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [0,1,0,1,0,0|2,0,0]=4 3750 B9R1.33 CCNC1CCCC1C 269862a_100015525214_100000752053 [0,1,0,1,0,0|2,0,0]=4 3751 B9R1.33 CCNC1CCOC1C 270004a_100015525214_100000691750 [0,1,0,1,0,0|1,0,0]=3 3752 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [0,1,0,1,0,0|1,0,0]=3 3753 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [0,1,0,1,0,0|1,0,0]=3 3754 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [0,1,0,1,0,0|1,0,0]=3 3755 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [0,1,0,1,0,0|1,0,0]=3 3756 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,1,0,1,0,0|1,0,1]=4 3757 B9R1.33 CCOC1COCC1O 34a_100121572206_200000725654 [0,1,0,1,0,0|2,0,0]=4 3758 B9R1.33 CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210202 [0,1,0,1,0,0|1,0,0]=3 3759 B9R1.33 CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210202 [0,1,0,1,0,0|1,0,0]=3 3760 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [0,1,0,1,0,0|2,0,0]=4 3761 B9R1.33 CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210202 [0,1,0,1,0,0|2,0,0]=4 3762 B9R1.33 CCO[C@H]1COC[C@@H]1N 34a_100015191717_100000210202 [0,1,0,1,0,0|2,0,0]=4 3763 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [0,1,0,1,0,0|1,1,0]=4 3764 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [0,1,0,1,0,0|1,1,0]=4 3765 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_100000210202_200016002552 [0,1,0,1,0,0|1,1,0]=4 3766 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210202 [0,1,0,1,0,0|1,1,0]=4 3767 B9R1.33 COCN1CCC[C@@H]1C 2230a_100020605311_100000766300 [0,1,0,1,0,0|2,0,0]=4 3768 B9R1.33 COCN1CCC[C@@H]1C 269982a_100020605311_100000766300 [0,1,0,1,0,0|2,0,0]=4 3769 B9R1.33 COCN1CCC[C@H]1C 2230a_100015189458_100000766300 [0,1,0,1,0,0|2,0,0]=4 3770 B9R1.33 COCN1CCC[C@H]1C 269982a_100015189458_100000766300 [0,1,0,1,0,0|2,0,0]=4 3771 B9R1.33 COCN1CCSC1C 2230a_200011216479_100000766300 [0,1,0,1,0,0|1,1,0]=4 3772 B9R1.33 COCN1CCSC1C 269982a_200011216479_100000766300 [0,1,0,1,0,0|1,1,0]=4 3773 B9R1.33 CSCN1CCC[C@@H]1C 2230a_100020605311_100011218213 [0,1,0,1,0,0|2,0,0]=4 3774 B9R1.33 CSCN1CCC[C@@H]1C 269982a_100020605311_100011218213 [0,1,0,1,0,0|2,0,0]=4 3775 B9R1.33 CSCN1CCC[C@H]1C 2230a_100015189458_100011218213 [0,1,0,1,0,0|2,0,0]=4 3776 B9R1.33 CSCN1CCC[C@H]1C 269982a_100015189458_100011218213 [0,1,0,1,0,0|2,0,0]=4 3777 B9R1.33 CSCN1CCC[C@H]1C 34a_100015189458_100011218213 [0,1,0,1,0,0|2,0,0]=4 3778 B9R1.33 CSCN1CCSC1C 2230a_200011216479_100011218213 [0,1,0,1,0,0|1,1,0]=4 3779 B9R1.33 CSCN1CCSC1C 269982a_200011216479_100011218213 [0,1,0,1,0,0|1,1,0]=4 3780 B9R1.33 CSCN1CCSC1C 34a_200011216479_100011218213 [0,1,0,1,0,0|1,1,0]=4 3781 B9R1.33 C[C@@H]1CCCN1CCF 2230a_100015189458_100011217306 [0,1,0,1,0,0|2,0,0]=4 3782 B9R1.33 C[C@@H]1CCCN1CCF 269982a_100015189458_100011217306 [0,1,0,1,0,0|2,0,0]=4 3783 B9R1.33 C[C@@H]1CCCN1CCF 34a_100015189458_100011217306 [0,1,0,1,0,0|2,0,0]=4 3784 B9R1.33 C[C@@H]1CCCN1CCO 2230a_100015189458_100000211926 [0,1,0,1,0,0|2,0,0]=4 3785 B9R1.33 C[C@@H]1CCCN1CCO 269982a_100015189458_100000211926 [0,1,0,1,0,0|2,0,0]=4 3786 B9R1.33 C[C@@H]1CCCN1CCO 34a_100015189458_100000211926 [0,1,0,1,0,0|2,0,0]=4 3787 B9R1.33 C[C@H]1CCCN1CCF 2230a_100020605311_100011217306 [0,1,0,1,0,0|2,0,0]=4 3788 B9R1.33 C[C@H]1CCCN1CCF 269982a_100020605311_100011217306 [0,1,0,1,0,0|2,0,0]=4 3789 B9R1.33 C[C@H]1CCCN1CCO 2230a_100020605311_100000211926 [0,1,0,1,0,0|2,0,0]=4 3790 B9R1.33 C[C@H]1CCCN1CCO 269982a_100020605311_100000211926 [0,1,0,1,0,0|2,0,0]=4 3791 B9R1.33 FCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100015361967 [0,1,0,1,0,0|2,0,0]=4 3792 B9R1.33 N[C@H]1CCC[C@@H]1OCF 34a_100000748460_100015361967 [0,1,0,1,0,0|2,0,0]=4 3793 B9R1.33 O=C1CCCC1OCF 34a_200000719330_100015361967 [0,1,0,1,0,0|2,0,0]=4 3794 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [0,1,0,1,0,0|2,0,0]=4 3795 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [0,1,0,1,0,0|2,0,0]=4 3796 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [0,1,0,1,0,0|2,0,0]=4 3797 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [0,1,0,1,0,0|2,0,0]=4 3798 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [0,1,0,1,0,0|2,0,0]=4 3799 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [0,1,0,1,0,0|2,0,0]=4 3800 B9R1.58 CCNC1CC(C1)CO 270004a_100015525214_100000101936 [0,1,0,1,0,0|2,0,0]=4 3801 B9R1.58 CCNC1CN(C1)CC 2230a_200015199589_100000210202 [0,1,0,1,0,0|2,0,0]=4 3802 B9R1.58 CCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000210202 [0,1,0,1,0,0|2,0,0]=4 3803 B9R1.58 CCOC1CN(C1)CC 269982a_100000732654_100000204670 [0,1,0,1,0,0|1,0,0]=3 3804 B9R1.58 CCOC1CN(C1)CC 34a_100000732654_100000210202 [0,1,0,1,0,0|1,0,0]=3 3805 B9R1.58 CCOC1CN(C1)CF 269982a_100000732654_100015361967 [0,1,0,1,0,0|2,0,0]=4 3806 B9R1.58 CCOC1CN(C1)CF 34a_100000732654_100015361967 [0,1,0,1,0,0|2,0,0]=4 3807 B9R1.58 CCSC1CC(C1)CO 62a_100000210202_100009874164 [0,1,0,1,0,0|1,1,0]=4 3808 B9R1.58 CCSC1CC(C1)CO 62a_100009874164_100000210202 [0,1,0,1,0,0|1,1,0]=4 3809 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 2230a_100016991869_200000210301 [0,1,0,1,0,0|2,0,0]=4 3810 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 269982a_100016991869_200000210301 [0,1,0,1,0,0|2,0,0]=4 3811 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 34a_100016991869_200000210301 [0,1,0,1,0,0|2,0,0]=4 3812 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 2230a_100016991869_200025704644 [0,1,0,1,0,0|2,0,0]=4 3813 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 269982a_100016991869_200025704644 [0,1,0,1,0,0|2,0,0]=4 3814 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 34a_100016991869_200025704644 [0,1,0,1,0,0|2,0,0]=4 3815 B9R1.73 CC(OCF)C1CCC1 34a_100000766398_100015361967 [0,1,0,1,0,0|2,0,0]=4 3816 B9R1.73 CC(OCF)C1CCC1 7a_100000766398_100015361967 [0,1,0,1,0,0|2,0,0]=4 3817 B9R1.73 CCCC(C)N1CCC1 269982a_100000754969_100000766640 [0,1,0,1,0,0|2,0,0]=4 3818 B9R1.73 CCNC(C)C1CCC1 2230a_100016994624_100000210202 [0,1,0,1,0,0|2,0,0]=4 3819 B9R1.73 CCNC(C)C1CCC1 269862a_100015525214_100000760154 [0,1,0,1,0,0|2,0,0]=4 3820 B9R1.73 CCNC(C)C1CCC1 34a_100016994624_100000210202 [0,1,0,1,0,0|2,0,0]=4 3821 B9R1.73 CCOC(C)C1CCC1 34a_100000766398_100000210202 [0,1,0,1,0,0|1,0,0]=3 3822 B9R1.73 CCOC(C)C1CCC1 7a_100000766398_100000210202 [0,1,0,1,0,0|1,0,0]=3 3823 B9R1.75 C/C=C/C(C)OC1CC1 34a_200102604097_100000211595 [0,1,0,1,0,0|1,0,1]=4 3824 B9R1.75 CC#CC(C)OC1CC1 34a_100011216543_100000211595 [0,1,0,1,0,0|1,0,1]=4 3825 B9R1.75 CC(CCBr)OC1CC1 34a_100012276601_100000211595 [0,1,0,1,0,0|2,0,0]=4 3826 B9R1.75 CCCC(C)NC1CC1 34a_100000212008_100000766640 [0,1,0,1,0,0|2,0,0]=4 3827 B9R1.75 CCCC(C)OC1CC1 34a_100000764384_100000211595 [0,1,0,1,0,0|1,0,0]=3 3828 B9R1.75 CCCC(C)SC1CC1 62a_100000766640_100000211595 [0,1,0,1,0,0|1,1,0]=4 3829 B9R1.75 CCNC(C)CC1CC1 270004a_100015525214_200000686933 [0,1,0,1,0,0|2,0,0]=4 3830 B9R1.75 COC[C@@H](C)OC1CC1 34a_100011934205_100000211595 [0,1,0,1,0,0|2,0,0]=4 3831 B9R1.100 C#CCOC(C)C1CC1 34a_100000744524_100000184674 [0,1,0,1,0,0|1,0,1]=4 3832 B9R1.100 C#CCOC(C)C1CC1 7a_100000744524_100000038162 [0,1,0,1,0,0|1,0,1]=4 3833 B9R1.100 C=CCOC(C)C1CC1 34a_100000744524_100015514636 [0,1,0,1,0,0|1,0,1]=4 3834 B9R1.100 C=CCOC(C)C1CC1 7a_100000744524_100015514636 [0,1,0,1,0,0|1,0,1]=4 3835 B9R1.100 CC(NCCF)C1CC1 2230a_100000700016_100011217306 [0,1,0,1,0,0|2,0,0]=4 3836 B9R1.100 CC(NCCF)C1CC1 269862a_100000724931_100000210639 [0,1,0,1,0,0|2,0,0]=4 3837 B9R1.100 CC(NCCF)C1CC1 34a_100000700016_100011217306 [0,1,0,1,0,0|2,0,0]=4 3838 B9R1.100 CC(NCCO)C1CC1 2230a_100000700016_100000211926 [0,1,0,1,0,0|2,0,0]=4 3839 B9R1.100 CC(NCCO)C1CC1 269862a_100000210304_100000210639 [0,1,0,1,0,0|2,0,0]=4 3840 B9R1.100 CC(NCCO)C1CC1 34a_100000700016_100000211926 [0,1,0,1,0,0|2,0,0]=4 3841 B9R1.100 CC(OCC#N)C1CC1 7a_100000744524_100011215382 [0,1,0,1,0,0|1,0,1]=4 3842 B9R1.100 CC(OCC=O)C1CC1 34a_100000744524_200009817547 [0,1,0,1,0,0|1,0,1]=4 3843 B9R1.100 CC(OCC=O)C1CC1 7a_100000744524_200015260668 [0,1,0,1,0,0|1,0,1]=4 3844 B9R1.100 CC(OCCF)C1CC1 34a_100000744524_100011217306 [0,1,0,1,0,0|1,0,0]=3 3845 B9R1.100 CC(OCCF)C1CC1 7a_100000744524_100011217306 [0,1,0,1,0,0|1,0,0]=3 3846 B9R1.100 CC(OCCO)C1CC1 34a_100000744524_100000211926 [0,1,0,1,0,0|1,0,0]=3 3847 B9R1.100 CC(OCCO)C1CC1 7a_100000744524_100000211926 [0,1,0,1,0,0|1,0,0]=3 3848 B9R1.100 CCCNC(C)C1CC1 2230a_100000700016_100000210303 [0,1,0,1,0,0|2,0,0]=4 3849 B9R1.100 CCCNC(C)C1CC1 269862a_100020643023_100000210639 [0,1,0,1,0,0|2,0,0]=4 3850 B9R1.100 CCCNC(C)C1CC1 34a_100000700016_100000210303 [0,1,0,1,0,0|2,0,0]=4 3851 B9R1.100 CCCOC(C)C1CC1 34a_100000744524_100000210303 [0,1,0,1,0,0|1,0,0]=3 3852 B9R1.100 CCCOC(C)C1CC1 7a_100000744524_100000210303 [0,1,0,1,0,0|1,0,0]=3 3853 B9R1.100 CCOCN(C)C1CC1 269982a_100000226674_100000739092 [0,1,0,1,0,0|2,0,0]=4 3854 B9R1.100 CCOC[C@H](N)C1CC1 34a_100020623730_100000210202 [0,1,0,1,0,0|2,0,0]=4 3855 B9R1.100 COCNC(C)C1CC1 2230a_100000700016_100000766300 [0,1,0,1,0,0|2,0,0]=4 3856 B9R1.100 CSCNC(C)C1CC1 2230a_100000700016_100011218213 [0,1,0,1,0,0|2,0,0]=4 3857 B9R1.100 CSCNC(C)C1CC1 34a_100000700016_100011218213 [0,1,0,1,0,0|2,0,0]=4 3858 B9R1.100 CSCOC(C)C1CC1 34a_100000744524_100011218213 [0,1,0,1,0,0|1,0,0]=3 3859 B9R1.117 C#CCOC1(CCC1)C 34a_100000759064_100000184674 [0,1,0,1,0,0|1,0,1]=4 3860 B9R1.117 C#CCOC1(CCC1)C 7a_100000759064_100000038162 [0,1,0,1,0,0|1,0,1]=4 3861 B9R1.117 C=CCOC1(CCC1)C 34a_100000759064_100015514636 [0,1,0,1,0,0|1,0,1]=4 3862 B9R1.117 C=CCOC1(CCC1)C 7a_100000759064_100015514636 [0,1,0,1,0,0|1,0,1]=4 3863 B9R1.117 CC1(CCC1)NCCF 2230a_100000692455_100011217306 [0,1,0,1,0,0|2,0,0]=4 3864 B9R1.117 CC1(CCC1)NCCF 34a_100000692455_100011217306 [0,1,0,1,0,0|2,0,0]=4 3865 B9R1.117 CC1(CCC1)NCCO 2230a_100000692455_100000211926 [0,1,0,1,0,0|2,0,0]=4 3866 B9R1.117 CC1(CCC1)NCCO 34a_100000692455_100000211926 [0,1,0,1,0,0|2,0,0]=4 3867 B9R1.117 CC1(CCC1)OCC#N 7a_100000759064_100011215382 [0,1,0,1,0,0|1,0,1]=4 3868 B9R1.117 CC1(CCC1)OCC=O 34a_100000759064_200009817547 [0,1,0,1,0,0|1,0,1]=4 3869 B9R1.117 CC1(CCC1)OCC=O 7a_100000759064_200015260668 [0,1,0,1,0,0|1,0,1]=4 3870 B9R1.117 CC1(CCC1)OCCF 34a_100000759064_100011217306 [0,1,0,1,0,0|1,0,0]=3 3871 B9R1.117 CC1(CCC1)OCCF 7a_100000759064_100011217306 [0,1,0,1,0,0|1,0,0]=3 3872 B9R1.117 CC1(CCC1)OCCO 34a_100000759064_100000211926 [0,1,0,1,0,0|1,0,0]=3 3873 B9R1.117 CC1(CCC1)OCCO 7a_100000759064_100000211926 [0,1,0,1,0,0|1,0,0]=3 3874 B9R1.117 CC1(CSC1)OCCF 7a_100016018533_100011217306 [0,1,0,1,0,0|2,0,0]=4 3875 B9R1.117 CC1(CSC1)OCCO 7a_100016018533_100000211926 [0,1,0,1,0,0|2,0,0]=4 3876 B9R1.117 CCCNC1(CCC1)C 2230a_100000692455_100000210303 [0,1,0,1,0,0|2,0,0]=4 3877 B9R1.117 CCCNC1(CCC1)C 34a_100000692455_100000210303 [0,1,0,1,0,0|2,0,0]=4 3878 B9R1.117 CCCOC1(CCC1)C 34a_100000759064_100000210303 [0,1,0,1,0,0|1,0,0]=3 3879 B9R1.117 CCCOC1(CCC1)C 7a_100000759064_100000210303 [0,1,0,1,0,0|1,0,0]=3 3880 B9R1.117 CCCOC1(CSC1)C 7a_100016018533_100000210303 [0,1,0,1,0,0|2,0,0]=4 3881 B9R1.117 CCNCC1(CCC1)C 2230a_100000706607_100000210202 [0,1,0,1,0,0|2,0,0]=4 3882 B9R1.117 CCNCC1(CCC1)C 2230a_100015525214_100000726658 [0,1,0,1,0,0|2,0,0]=4 3883 B9R1.117 CCOCC1(CCC1)C 34a_100121572206_100000726658 [0,1,0,1,0,0|1,0,0]=3 3884 B9R1.117 CCOCC1(COC1)C 34a_100121572206_100009817586 [0,1,0,1,0,0|2,0,0]=4 3885 B9R1.117 CCOCC1(CSC1)C 34a_100000732658_100000210202 [0,1,0,1,0,0|2,0,0]=4 3886 B9R1.117 CCOCC1(CSC1)C 7a_100000732658_100000210202 [0,1,0,1,0,0|2,0,0]=4 3887 B9R1.117 CCSCC1(CCC1)C 62a_100000210202_100000726658 [0,1,0,1,0,0|1,1,0]=4 3888 B9R1.117 CCSCC1(CCC1)C 62a_100000726658_100000210202 [0,1,0,1,0,0|1,1,0]=4 3889 B9R1.117 COCNC1(CCC1)C 2230a_100000692455_100000766300 [0,1,0,1,0,0|2,0,0]=4 3890 B9R1.117 CSCNC1(CCC1)C 2230a_100000692455_100011218213 [0,1,0,1,0,0|2,0,0]=4 3891 B9R1.117 CSCNC1(CCC1)C 34a_100000692455_100011218213 [0,1,0,1,0,0|2,0,0]=4 3892 B9R1.117 CSCOC1(CCC1)C 34a_100000759064_100011218213 [0,1,0,1,0,0|1,0,0]=3 3893 B9R1.134 CC1(CCCC1)OCF 34a_100000751722_100015361967 [0,1,0,1,0,0|2,0,0]=4 3894 B9R1.134 CC1(CCCC1)OCF 7a_100000751722_100015361967 [0,1,0,1,0,0|2,0,0]=4 3895 B9R1.134 CC1(OCCO1)CN[13CH3] 2230a_100000691740_200025704644 [0,1,0,1,0,0|2,0,0]=4 3896 B9R1.134 CC1(OCCO1)CS[13CH3] 62a_100009818610_200025704644 [0,1,0,1,0,0|2,0,0]=4 3897 B9R1.134 CC1(OCCO1)CS[13CH3] 62a_200025704644_100009818610 [0,1,0,1,0,0|2,0,0]=4 3898 B9R1.134 CCNC1(CCOC1)C 2230a_100000693475_100000210202 [0,1,0,1,0,0|1,0,0]=3 3899 B9R1.134 CCOC1(CCCC1)C 34a_100000751722_100000210202 [0,1,0,1,0,0|1,0,0]=3 3900 B9R1.134 CCOC1(CCCC1)C 7a_100000751722_100000210202 [0,1,0,1,0,0|1,0,0]=3 3901 B9R1.134 CNCC1(OCCO1)C 2230a_100000691740_200000210301 [0,1,0,1,0,0|2,0,0]=4 3902 B9R1.134 CSCC1(OCCO1)C 62a_100009818610_200000210301 [0,1,0,1,0,0|2,0,0]=4 3903 B9R1.134 CSCC1(OCCO1)C 62a_200000210301_100009818610 [0,1,0,1,0,0|2,0,0]=4 3904 B9R1.3 CC1CCCC(N1C)C 2230a_100000210447_200000210301 [0,1,0,1,0,0|2,0,0]=4 3905 B9R1.3 CC1CCCC(N1C)C 269982a_100000210447_200000210301 [0,1,0,1,0,0|2,0,0]=4 3906 B9R1.3 CC1CCCC(N1C)C 34a_100000210447_200000210301 [0,1,0,1,0,0|2,0,0]=4 3907 B9R1.3 CC1CCCC(N1[13CH3])C 2230a_100000210447_200025704644 [0,1,0,1,0,0|2,0,0]=4 3908 B9R1.3 CC1CCCC(N1[13CH3])C 269982a_100000210447_200025704644 [0,1,0,1,0,0|2,0,0]=4 3909 B9R1.3 CC1CCCC(N1[13CH3])C 34a_100000210447_200025704644 [0,1,0,1,0,0|2,0,0]=4 3910 B9R1.11 CC(N[13CH3])C1CCCO1 2230a_100025754208_200025704644 [0,1,0,1,0,0|2,0,0]=4 3911 B9R1.11 CC(N[13CH3])C1CCCO1 34a_100025754208_200025704644 [0,1,0,1,0,0|2,0,0]=4 3912 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,1,0,1,0,0|2,0,0]=4 3913 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,1,0,1,0,0|2,0,0]=4 3914 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,1,0,1,0,0|1,1,0]=4 3915 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,1,0,1,0,0|1,0,0]=3 3916 B9R1.11 CCN(C)C1CCCC1 2230a_100000207505_100000210202 [0,1,0,1,0,0|2,0,0]=4 3917 B9R1.11 CCN(C)C1CCCC1 2230a_100000225621_100000179811 [0,1,0,1,0,0|2,0,0]=4 3918 B9R1.11 CCN(C)C1CCCC1 269982a_100000207505_100000204670 [0,1,0,1,0,0|2,0,0]=4 3919 B9R1.11 CCN(C)C1CCCC1 269982a_100000225621_100000179811 [0,1,0,1,0,0|2,0,0]=4 3920 B9R1.11 CCN(C)C1CCCC1 34a_100000207505_100000210202 [0,1,0,1,0,0|2,0,0]=4 3921 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,1,0,1,0,0|2,0,0]=4 3922 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,1,0,1,0,0|2,0,0]=4 3923 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,1,0,1,0,0|2,0,0]=4 3924 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,1,0,1,0,0|2,0,0]=4 3925 B9R1.11 CNC(C)C1CCCO1 2230a_100025754208_200000210301 [0,1,0,1,0,0|2,0,0]=4 3926 B9R1.11 CNC(C)C1CCCO1 34a_100025754208_200000210301 [0,1,0,1,0,0|2,0,0]=4 3927 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,1,0,1,0,0|2,0,0]=4 3928 B9R1.74 CCNC(C)C1(CC1)C 269862a_100015525214_100000184723 [0,1,0,1,0,0|2,0,0]=4 3929 B9R1.74 CCNC(C)C1(CC1)F 269862a_100015525214_100000052362 [0,1,0,1,0,0|2,0,0]=4 3930 B9R1.82 CCC(=O)C1CC(C1)C 1458a_100000686124_100000210202 [0,1,0,1,0,0|2,0,0]=4 3931 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [0,1,0,1,0,0|2,0,0]=4 3932 B9R1.101 CCN(C)C(C)C1CC1 2230a_200000232609_200000210301 [0,1,0,1,0,0|2,0,0]=4 3933 B9R1.101 CCN(C)C(C)C1CC1 269982a_200000232609_200000210301 [0,1,0,1,0,0|2,0,0]=4 3934 B9R1.101 CCN([13CH3])C(C)C1CC1 2230a_200000232609_200025704644 [0,1,0,1,0,0|2,0,0]=4 3935 B9R1.101 CCN([13CH3])C(C)C1CC1 269982a_200000232609_200025704644 [0,1,0,1,0,0|2,0,0]=4 3936 B9R1.186 CCC(=O)C1(CCC1)C 1458a_100000684636_100000210202 [0,1,0,1,0,0|2,0,0]=4 3937 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,1,0,1,0,0|1,0,1]=4 3938 B9R1.13 CC(C)NC1CCCC1 2230a_100000211070_100000210206 [0,1,0,1,0,0|2,0,0]=4 3939 B9R1.13 CC(C)NC1CCCC1 2230a_100138425928_100000179811 [0,1,0,1,0,0|2,0,0]=4 3940 B9R1.13 CC(C)NC1CCCC1 34a_100000211070_100000210206 [0,1,0,1,0,0|2,0,0]=4 3941 B9R1.13 CC(C)NC1CCCC1 34a_100138425928_100000179811 [0,1,0,1,0,0|2,0,0]=4 3942 B9R1.13 CC(C)OC1CCCC1 34a_100000210269_100000210206 [0,1,0,1,0,0|1,0,0]=3 3943 B9R1.13 CC(C)OC1CCCC1 34a_100000212225_100000179811 [0,1,0,1,0,0|1,0,0]=3 3944 B9R1.13 CC(C)OC1CCCC1 7a_100000210269_100000210206 [0,1,0,1,0,0|1,0,0]=3 3945 B9R1.13 CC(C)OC1CCCO1 34a_100000085407_100000210206 [0,1,0,1,0,0|0,0,0]=2 3946 B9R1.13 CC(C)OC1CCOC1 34a_100000212225_100000690089 [0,1,0,1,0,0|2,0,0]=4 3947 B9R1.13 CC(C)OC1CCSC1 7a_100011232664_100000210206 [0,1,0,1,0,0|2,0,0]=4 3948 B9R1.13 CC(C)O[C@H]1CCOC1 34a_100000717292_100000210206 [0,1,0,1,0,0|2,0,0]=4 3949 B9R1.13 CC(C)SC1CCCC1 62a_100000210206_100000179811 [0,1,0,1,0,0|1,1,0]=4 3950 B9R1.13 CC(C)SC1CCCC1 62a_100011217020_100000210206 [0,1,0,1,0,0|1,1,0]=4 3951 B9R1.13 CN(C)CC1CCCO1 2230a_100102631434_100000203698 [0,1,0,1,0,0|2,0,0]=4 3952 B9R1.13 CN(C)CC1CCCO1 2230a_100102946541_200000210301 [0,1,0,1,0,0|2,0,0]=4 3953 B9R1.13 CN(C)CC1CCCO1 269982a_100102631434_100000183445 [0,1,0,1,0,0|2,0,0]=4 3954 B9R1.13 CN(C)CC1CCCO1 269982a_100102946541_200000210301 [0,1,0,1,0,0|2,0,0]=4 3955 B9R1.13 CN(C)CC1CCCO1 34a_100102946541_200000210301 [0,1,0,1,0,0|2,0,0]=4 3956 B9R1.13 CN([13CH3])CC1CCCO1 2230a_100102946541_200025704644 [0,1,0,1,0,0|2,0,0]=4 3957 B9R1.13 CN([13CH3])CC1CCCO1 269982a_100102946541_200025704644 [0,1,0,1,0,0|2,0,0]=4 3958 B9R1.13 CN([13CH3])CC1CCCO1 34a_100102946541_200025704644 [0,1,0,1,0,0|2,0,0]=4 3959 B9R1.34 CC1CN(CC(O1)C)C 2230a_100000210032_200000210301 [0,1,0,1,0,0|2,0,0]=4 3960 B9R1.34 CC1CN(CC(O1)C)C 269982a_100000210032_200000210301 [0,1,0,1,0,0|2,0,0]=4 3961 B9R1.34 CC1CN(CC(O1)C)C 34a_100000210032_200000210301 [0,1,0,1,0,0|2,0,0]=4 3962 B9R1.34 CC1CN(CC(O1)C)[13CH3] 2230a_100000210032_200025704644 [0,1,0,1,0,0|2,0,0]=4 3963 B9R1.34 CC1CN(CC(O1)C)[13CH3] 269982a_100000210032_200025704644 [0,1,0,1,0,0|2,0,0]=4 3964 B9R1.34 CC1CN(CC(O1)C)[13CH3] 34a_100000210032_200025704644 [0,1,0,1,0,0|2,0,0]=4 3965 B9R1.41 CC(C)N1CCC[C@@H]1C 2230a_100020605311_100000210206 [0,1,0,1,0,0|2,0,0]=4 3966 B9R1.41 CC(C)N1CCC[C@@H]1C 269982a_100020605311_100000210206 [0,1,0,1,0,0|2,0,0]=4 3967 B9R1.41 CC(C)N1CCC[C@H]1C 2230a_100015189458_100000210206 [0,1,0,1,0,0|2,0,0]=4 3968 B9R1.41 CC(C)N1CCC[C@H]1C 269982a_100015189458_100000210206 [0,1,0,1,0,0|2,0,0]=4 3969 B9R1.41 CC(C)N1CCC[C@H]1C 34a_100015189458_100000210206 [0,1,0,1,0,0|2,0,0]=4 3970 B9R1.41 CC(C)N1CCSC1C 2230a_200011216479_100000210206 [0,1,0,1,0,0|1,1,0]=4 3971 B9R1.41 CC(C)N1CCSC1C 269982a_200011216479_100000210206 [0,1,0,1,0,0|1,1,0]=4 3972 B9R1.41 CC(C)N1CCSC1C 34a_200011216479_100000210206 [0,1,0,1,0,0|1,1,0]=4 3973 B9R1.41 CC1OCCC1N(C)C 270004a_100102631434_100000691750 [0,1,0,1,0,0|2,0,0]=4 3974 B9R1.53 CC(C)OC1CN(C1)C 2230a_100000698322_200000210301 [0,1,0,1,0,0|2,0,0]=4 3975 B9R1.53 CC(C)OC1CN(C1)C 269982a_100000698322_200000210301 [0,1,0,1,0,0|2,0,0]=4 3976 B9R1.53 CC(C)OC1CN(C1)C 34a_100000698322_200000210301 [0,1,0,1,0,0|2,0,0]=4 3977 B9R1.53 CC(C)OC1CN(C1)[13CH3] 2230a_100000698322_200025704644 [0,1,0,1,0,0|2,0,0]=4 3978 B9R1.53 CC(C)OC1CN(C1)[13CH3] 269982a_100000698322_200025704644 [0,1,0,1,0,0|2,0,0]=4 3979 B9R1.53 CC(C)OC1CN(C1)[13CH3] 34a_100000698322_200025704644 [0,1,0,1,0,0|2,0,0]=4 3980 B9R1.66 CC1(CN(CCO1)[13CH3])C 2230a_100000738910_200025704644 [0,1,0,1,0,0|2,0,0]=4 3981 B9R1.66 CC1(CN(CCO1)[13CH3])C 269982a_100000738910_200025704644 [0,1,0,1,0,0|2,0,0]=4 3982 B9R1.66 CC1(CN(CCO1)[13CH3])C 34a_100000738910_200025704644 [0,1,0,1,0,0|2,0,0]=4 3983 B9R1.66 CN1CCOC(C1)(C)C 2230a_100000738910_200000210301 [0,1,0,1,0,0|2,0,0]=4 3984 B9R1.66 CN1CCOC(C1)(C)C 269982a_100000738910_200000210301 [0,1,0,1,0,0|2,0,0]=4 3985 B9R1.66 CN1CCOC(C1)(C)C 34a_100000738910_200000210301 [0,1,0,1,0,0|2,0,0]=4 3986 B9R1.136 CCN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000210202 [0,1,0,1,0,0|2,0,0]=4 3987 B9R1.136 CCOC1CC(C1)(F)F 34a_100000144188_100000210202 [0,1,0,1,0,0|2,0,0]=4 3988 B9R1.136 CCOC1CC(C1)(F)F 34a_100121572206_100010741680 [0,1,0,1,0,0|2,0,0]=4 3989 B9R1.137 CC(C)NC(C)C1CC1 2230a_100000700016_100000210206 [0,1,0,1,0,0|2,0,0]=4 3990 B9R1.137 CC(C)NC(C)C1CC1 34a_100000700016_100000210206 [0,1,0,1,0,0|2,0,0]=4 3991 B9R1.137 CC(C)OC(C)C1CC1 34a_100000744524_100000210206 [0,1,0,1,0,0|1,0,0]=3 3992 B9R1.137 CC(C)OC(C)C1CC1 7a_100000744524_100000210206 [0,1,0,1,0,0|1,0,0]=3 3993 B9R1.171 CC(C)NC1(CCC1)C 2230a_100000692455_100000210206 [0,1,0,1,0,0|2,0,0]=4 3994 B9R1.171 CC(C)NC1(CCC1)C 34a_100000692455_100000210206 [0,1,0,1,0,0|2,0,0]=4 3995 B9R1.171 CC(C)OC1(CCC1)C 34a_100000759064_100000210206 [0,1,0,1,0,0|1,0,0]=3 3996 B9R1.171 CC(C)OC1(CCC1)C 7a_100000759064_100000210206 [0,1,0,1,0,0|1,0,0]=3 3997 B9R1.171 CC(C)OC1(CSC1)C 7a_100016018533_100000210206 [0,1,0,1,0,0|2,0,0]=4 3998 B9R1.14 CCC1CCCC1NC 269862a_106832991636_100000749056 [0,1,0,1,0,0|2,0,0]=4 3999 B9R1.14 CCC1CCCC1NC 270004a_106832991635_100000749056 [0,1,0,1,0,0|2,0,0]=4 4000 B9R1.14 CCC1CCCN1CC 2230a_100000754278_100000210202 [0,1,0,1,0,0|2,0,0]=4 4001 B9R1.14 CCC1CCCN1CC 269982a_100000754278_100000204670 [0,1,0,1,0,0|2,0,0]=4 4002 B9R1.14 CCC1CCCN1CC 34a_100000754278_100000210202 [0,1,0,1,0,0|2,0,0]=4 4003 B9R1.14 CCN1CCC[C@@H]1CO 2230a_100000745186_100000210202 [0,1,0,1,0,0|2,0,0]=4 4004 B9R1.14 CCN1CCC[C@@H]1CO 269982a_100000745186_100000204670 [0,1,0,1,0,0|2,0,0]=4 4005 B9R1.14 CCN1CCC[C@@H]1CO 34a_100000745186_100000210202 [0,1,0,1,0,0|2,0,0]=4 4006 B9R1.43 CCC(OCF)C1CC1 34a_100011351122_100015361967 [0,1,0,1,0,0|2,0,0]=4 4007 B9R1.43 CCC(OCF)C1CC1 7a_100011351122_100015361967 [0,1,0,1,0,0|2,0,0]=4 4008 B9R1.43 CCNC(CC)C1CC1 2230a_100025715781_100000210202 [0,1,0,1,0,0|2,0,0]=4 4009 B9R1.43 CCNC(CC)C1CC1 269862a_100015525214_100000759681 [0,1,0,1,0,0|2,0,0]=4 4010 B9R1.43 CCNC(CC)C1CC1 34a_100025715781_100000210202 [0,1,0,1,0,0|2,0,0]=4 4011 B9R1.43 CCN[C@@H](CO)C1CC1 2230a_100020623730_100000210202 [0,1,0,1,0,0|2,0,0]=4 4012 B9R1.43 CCN[C@@H](CO)C1CC1 34a_100020623730_100000210202 [0,1,0,1,0,0|2,0,0]=4 4013 B9R1.43 CCOC(CC)C1CC1 34a_100011351122_100000210202 [0,1,0,1,0,0|1,0,0]=3 4014 B9R1.43 CCOC(CC)C1CC1 7a_100011351122_100000210202 [0,1,0,1,0,0|1,0,0]=3 4015 B9R1.43 CCOC(CN)C1CC1 34a_100000751198_100000210202 [0,1,0,1,0,0|1,0,0]=3 4016 B9R1.43 NCC(OCF)C1CC1 34a_100000751198_100015361967 [0,1,0,1,0,0|2,0,0]=4 4017 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [0,1,0,1,0,0|2,0,0]=4 4018 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [0,1,0,1,0,0|2,0,0]=4 4019 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [0,1,0,1,0,0|2,0,0]=4 4020 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [0,1,0,1,0,0|2,0,0]=4 4021 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [0,1,0,1,0,0|2,0,0]=4 4022 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [0,1,0,1,0,0|2,0,0]=4 4023 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [0,1,0,1,0,0|2,0,0]=4 4024 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [0,1,0,1,0,0|2,0,0]=4 4025 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [0,1,0,1,0,0|2,0,0]=4 4026 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [0,1,0,1,0,0|2,0,0]=4 4027 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [0,1,0,1,0,0|2,0,0]=4 4028 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [0,1,0,1,0,0|2,0,0]=4 4029 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [0,1,0,1,0,0|2,0,0]=4 4030 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [0,1,0,1,0,0|2,0,0]=4 4031 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [0,1,0,1,0,0|2,0,0]=4 4032 B9R1.175 CCNC1(CCC1)CO 2230a_100016993734_100000210202 [0,1,0,1,0,0|2,0,0]=4 4033 B9R1.175 CCOC1(COC1)CC 7a_100010739965_100000210202 [0,1,0,1,0,0|2,0,0]=4 4034 B9R1.182 CCCC1(CC1)NCC 2230a_100015185929_100000210202 [0,1,0,1,0,0|2,0,0]=4 4035 B9R1.24 CCN1CCCC1(C)C 2230a_100000761399_100000210202 [0,1,0,1,0,0|2,0,0]=4 4036 B9R1.24 CCN1CCCC1(C)C 269982a_100000761399_100000204670 [0,1,0,1,0,0|2,0,0]=4 4037 B9R1.24 CCN1CCCC1(C)C 34a_100000761399_100000210202 [0,1,0,1,0,0|2,0,0]=4 4038 B9R1.24 CCN1CCSC1(C)C 2230a_100011217261_100000210202 [0,1,0,1,0,0|1,1,0]=4 4039 B9R1.24 CCN1CCSC1(C)C 269982a_100011217261_100000204670 [0,1,0,1,0,0|1,1,0]=4 4040 B9R1.24 CCN1CCSC1(C)C 34a_100011217261_100000210202 [0,1,0,1,0,0|1,1,0]=4 4041 B9R1.109 CCNC(C)(C)C1CC1 2230a_100000695267_100000210202 [0,1,0,1,0,0|2,0,0]=4 4042 B9R2.39 CN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_200000210301 [0,0,0,2,0,0|2,0,0]=4 4043 B9R2.39 CN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_200000210301 [0,0,0,2,0,0|2,0,0]=4 4044 B9R2.39 CN1C[C@H]2C[C@@H]1CO2 34a_100016995552_200000210301 [0,0,0,2,0,0|2,0,0]=4 4045 B9R2.39 [13CH3]N1C[C@H]2C[C@@H]1CO2 2230a_100016995552_200025704644 [0,0,0,2,0,0|2,0,0]=4 4046 B9R2.39 [13CH3]N1C[C@H]2C[C@@H]1CO2 269982a_100016995552_200025704644 [0,0,0,2,0,0|2,0,0]=4 4047 B9R2.39 [13CH3]N1C[C@H]2C[C@@H]1CO2 34a_100016995552_200025704644 [0,0,0,2,0,0|2,0,0]=4