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CC(=O)CCOC(C)CCC=C(C)C 7a_100102619829_100000053229 [0,0,0,0,0,0|2,0,1]=3 23 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100015343762 [0,0,0,0,0,0|1,0,0]=1 24 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100015343762 [0,0,0,0,0,0|1,0,0]=1 25 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100103153847 [0,0,0,0,0,0|1,0,0]=1 26 B13R0.1398 CC(=O)NCCC(=O)CCC=C(C)C 1458a_100000183196_100011217483 [0,0,0,0,0,0|2,0,1]=3 27 B13R0.1398 CC(=O)NCCC(=O)CCOC(=O)C 1458a_100000183196_100009814007 [0,0,0,0,0,0|3,0,1]=4 28 B13R0.1398 CC(=O)NCCC(=O)NCC=C(C)C 11a_100000718196_100000183196 [0,0,0,0,0,0|3,0,1]=4 29 B13R0.1398 CC(=O)NCCC(=O)NCC=C(C)C 1626a_100000718196_100000183196 [0,0,0,0,0,0|3,0,1]=4 30 B13R0.1398 CC(=O)NCCC(=O)NCC=C(C)C 527a_100000718196_100000183196 [0,0,0,0,0,0|3,0,1]=4 31 B13R0.1398 CC(=O)NN=CC(C)CCC=C(C)C 4a_100000189765_100000033009 [0,0,0,0,0,0|2,0,1]=3 32 B13R0.1398 CC(=O)OCCC(=O)C/C=C/C(C)C 1458a_100016292215_100009814007 [0,0,0,0,0,0|1,0,3]=4 33 B13R0.1398 CC(=O)OCCC(=O)CCCC(C)C 1458a_100011216857_100009814007 [0,0,0,0,0,0|1,0,3]=4 34 B13R0.1398 CC(=O)OCCC(=O)CCSC(=O)C 1458a_100000048949_100009814007 [0,0,0,0,0,0|3,0,1]=4 35 B13R0.1398 CC(=O)OCCN(C)CCCN(C)C 269982a_100000225831_100009814007 [0,0,0,0,0,0|2,0,2]=4 36 B13R0.1398 CC(=O)OCOC(C)CCC=C(C)C 34a_100102619829_100009813279 [0,0,0,0,0,0|1,0,1]=2 37 B13R0.1398 CC(=O)OCOC(C)CCCC(C)C 34a_200011218570_100009813279 [0,0,0,0,0,0|1,0,3]=4 38 B13R0.1398 CC(=O)SCCC(=O)CCC=C(C)C 1458a_100000048949_100011217483 [0,0,0,0,0,0|1,1,1]=3 39 B13R0.1398 CC(=O)SCCC(=O)NCC=C(C)C 1626a_100000718196_100000048949 [0,0,0,0,0,0|2,1,1]=4 40 B12R0.233 C/C=C/C=CC(=O)CCC=C(C)C 1458a_100000185730_100011217483 [1,0,0,0,0,0|2,0,1]=4 41 B12R0.233 C/C=C/COC(C)CCC=C(C)C 34a_100102619829_100102629194 [1,0,0,0,0,0|2,0,1]=4 42 B12R0.233 C/C=C/COC(C)CCC=C(C)C 7a_100102619829_100102629194 [1,0,0,0,0,0|2,0,1]=4 43 B12R0.233 CC(=CCC/C(=C/CNCF)/C)C 34a_200020676162_100015361967 [1,0,0,0,0,0|2,0,1]=4 44 B12R0.233 CC(=CCC/C(=C/CSCF)/C)C 62a_100015361967_100016991246 [1,0,0,0,0,0|1,1,1]=4 45 B12R0.233 CC(=CCC/C(=C/CSCF)/C)C 62a_100016991246_100015361967 [1,0,0,0,0,0|1,1,1]=4 46 B12R0.233 CC(=CCC/C(=C\COCF)/C)C 34a_100016990311_100015361967 [1,0,0,0,0,0|1,0,1]=3 47 B12R0.233 CC(=CCC/C(=C\COCF)/C)C 7a_100016990311_100015361967 [1,0,0,0,0,0|1,0,1]=3 48 B12R0.233 CC=CCOC(C)CCC=C(C)C 34a_100102619829_100000070051 [1,0,0,0,0,0|2,0,1]=4 49 B12R0.233 CC=CCOC(C)CCC=C(C)C 7a_100102619829_100000070051 [1,0,0,0,0,0|2,0,1]=4 50 B12R0.233 CCNC/C=C(\C)/CCC=C(C)C 2230a_100015525214_100016991246 [1,0,0,0,0,0|1,0,1]=3 51 B12R0.233 CCNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000210202 [1,0,0,0,0,0|1,0,1]=3 52 B12R0.233 CCNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000210202 [1,0,0,0,0,0|1,0,1]=3 53 B12R0.233 CCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000210202 [1,0,0,0,0,0|0,0,1]=2 54 B12R0.233 CCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000210202 [1,0,0,0,0,0|0,0,1]=2 55 B12R0.233 CCOC/C=C(\C)/CCC=C(C)C 34a_100121572206_100016991246 [1,0,0,0,0,0|0,0,1]=2 56 B12R0.233 CCOC=CC(=O)CCC=C(C)C 1458a_100016266692_100011217483 [1,0,0,0,0,0|1,0,2]=4 57 B12R0.233 CCOCCC(=O)CCC=C(C)C 1458a_100000749530_100011217483 [1,0,0,0,0,0|1,0,2]=4 58 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100000017536_100000210202 [1,0,0,0,0,0|0,0,3]=4 59 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100121572206_100009814015 [1,0,0,0,0,0|0,0,3]=4 60 B12R0.233 CCOCCC(C)CCC=C(C)C 7a_100000017536_100000210202 [1,0,0,0,0,0|0,0,3]=4 61 B12R0.233 CCSC/C=C(\C)/CCC=C(C)C 62a_100000210202_100016991246 [1,0,0,0,0,0|0,1,1]=3 62 B12R0.233 CCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000210202 [1,0,0,0,0,0|0,1,1]=3 63 B12R0.268 CC(=CCCOCCOC(=O)N)C 7a_100000766696_100011217483 [1,0,0,0,0,0|2,0,1]=4 64 B12R0.268 CC(=CCCSCCOC(=O)N)C 62a_100011217483_200011214921 [1,0,0,0,0,0|2,0,1]=4 65 B12R0.268 CC(=CCCSCCOC(=O)N)C 62a_200011214921_100011217483 [1,0,0,0,0,0|2,0,1]=4 66 B12R0.268 CC(=O)CCCOCCC=C(C)C 34a_100000759063_100011217483 [1,0,0,0,0,0|2,0,1]=4 67 B12R0.268 CC(=O)CCCOCCC=C(C)C 7a_100000759063_100011217483 [1,0,0,0,0,0|2,0,1]=4 68 B12R0.268 CC(=O)CCCSCCC=C(C)C 62a_100011215641_100011217483 [1,0,0,0,0,0|2,0,1]=4 69 B12R0.268 CC(=O)CCCSCCC=C(C)C 62a_100011217483_100011215641 [1,0,0,0,0,0|2,0,1]=4 70 B12R0.268 CC(=O)NCCNCCC=C(C)C 2230a_100000209853_100011217483 [1,0,0,0,0,0|2,0,1]=4 71 B12R0.268 CC(=O)NCCOCCC=C(C)C 34a_100000158858_100011217483 [1,0,0,0,0,0|2,0,1]=4 72 B12R0.268 CC(=O)NCCSCCC=C(C)C 62a_100000189650_100011217483 [1,0,0,0,0,0|2,0,1]=4 73 B12R0.268 CC(=O)NCCSCCC=C(C)C 62a_100011217483_100000189650 [1,0,0,0,0,0|2,0,1]=4 74 B12R0.268 CC(=O)OCCCNCC=C(C)C 34a_100000718196_100000042594 [1,0,0,0,0,0|1,0,2]=4 75 B12R0.268 CC(=O)OCCCOCC=C(C)C 34a_100000753907_100000042594 [1,0,0,0,0,0|1,0,2]=4 76 B12R0.268 CC(=O)OCCCSCC=C(C)C 62a_100000042594_100000761012 [1,0,0,0,0,0|1,0,2]=4 77 B12R0.268 CC(=O)OCCCSCC=C(C)C 62a_100000761012_100000042594 [1,0,0,0,0,0|1,0,2]=4 78 B12R0.268 CC(=O)OCCSCCC=C(C)C 62a_100009814007_100011217483 [1,0,0,0,0,0|1,0,1]=3 79 B12R0.268 CC(=O)OCCSCCC=C(C)C 62a_100011217483_100009814007 [1,0,0,0,0,0|1,0,1]=3 80 B14R0.222 C=C(C)C(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000185857_100016991246 [0,1,0,0,0,0|2,0,0]=3 81 B14R0.222 CC(=CCC/C(=C/CC(=O)C(C)C)/C)C 1458a_100000210198_100016991246 [0,1,0,0,0,0|2,0,1]=4 82 B14R0.222 CC(=CCC/C(=C/CC(=O)C(C)F)/C)C 1458a_100000062450_100016991246 [0,1,0,0,0,0|2,0,1]=4 83 B14R0.222 CC(=CCC/C(=C/CC(=O)[C@@H](C)O)/C)C 1458a_100000717761_100016991246 [0,1,0,0,0,0|1,0,2]=4 84 B14R0.222 CC(=CCC/C(=C/CC(=O)[C@H](C)O)/C)C 1458a_217856618621_100016991246 [0,1,0,0,0,0|1,0,2]=4 85 B14R0.222 CC(=CCC/C(=C/CN(C)C(C)C)/C)C 269982a_200000211004_100016991246 [0,1,0,0,0,0|2,0,1]=4 86 B14R0.222 CC(=O)C(=O)COC(C)CCC=C(C)C 34a_100102619829_100011261029 [0,1,0,0,0,0|2,0,1]=4 87 B14R0.222 CC(=O)N(C)CCC(=O)CCC=C(C)C 1458a_100011216537_100011217483 [0,1,0,0,0,0|2,0,1]=4 88 B14R0.222 CC(=O)OCCC(=O)CCC(=O)N(C)C 1458a_100011200748_100009814007 [0,1,0,0,0,0|2,0,1]=4 89 B14R0.304 C#CC(C)NC/C=C(\C)/CCC=C(C)C 2230a_100000707721_100016991246 [0,1,0,0,0,0|2,0,1]=4 90 B14R0.304 C#CC(C)NC/C=C(\C)/CCC=C(C)C 34a_100000707721_100016991246 [0,1,0,0,0,0|2,0,1]=4 91 B14R0.304 C#CC(C)NC/C=C(\C)/CCC=C(C)C 34a_200020676162_200000035995 [0,1,0,0,0,0|2,0,1]=4 92 B14R0.304 C#CC(C)OC/C=C(/C)\CCC=C(C)C 34a_100016990311_200000035995 [0,1,0,0,0,0|1,0,1]=3 93 B14R0.304 C#CC(C)SC/C=C(\C)/CCC=C(C)C 62a_200000035995_100016991246 [0,1,0,0,0,0|1,1,1]=4 94 B14R0.304 C#C[C@@H](C)OC/C=C(\C)/CCC=C(C)C 34a_100009815206_100016991246 [0,1,0,0,0,0|1,0,1]=3 95 B14R0.304 C#C[C@@H](C)OC/C=C(\C)/CCC=C(C)C 7a_100009815206_100016991246 [0,1,0,0,0,0|1,0,1]=3 96 B14R0.304 C=CC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000185746 [0,1,0,0,0,0|1,0,1]=3 97 B14R0.304 C=CC(=O)OCCC(=O)CCC=C(C)C 1458a_100000065099_100011217483 [0,1,0,0,0,0|1,0,2]=4 98 B14R0.304 C=CC(C)OC/C=C(\C)/CCC=C(C)C 34a_100000695699_100016991246 [0,1,0,0,0,0|1,0,1]=3 99 B14R0.304 C=CC(C)SC/C=C(\C)/CCC=C(C)C 62a_100011215867_100016991246 [0,1,0,0,0,0|1,1,1]=4 100 B14R0.304 CC(=CCC/C(=C/CNC(=O)CO)/C)C 527a_200020676162_100000210174 [0,1,0,0,0,0|1,0,0]=2 101 B14R0.304 CC(=CCC/C(=C/CNC(C)C#N)/C)C 2230a_100000737613_100016991246 [0,1,0,0,0,0|2,0,1]=4 102 B14R0.304 CC(=CCC/C(=C/CNC(C)C#N)/C)C 2230a_200020676162_100000184139 [0,1,0,0,0,0|2,0,1]=4 103 B14R0.304 CC(=CCC/C(=C/CNC(C)CO)/C)C 2230a_200020676162_100012180447 [0,1,0,0,0,0|1,0,2]=4 104 B14R0.304 CC(=CCC/C(=C/CNC(C)CO)/C)C 34a_200020676162_100012180447 [0,1,0,0,0,0|1,0,2]=4 105 B14R0.304 CC(=CCC/C(=C/CN[C@H](C)CO)/C)C 2230a_100000737577_100016991246 [0,1,0,0,0,0|1,0,2]=4 106 B14R0.304 CC(=CCC/C(=C/COC(C)C#N)/C)C 34a_100011218135_100016991246 [0,1,0,0,0,0|1,0,1]=3 107 B14R0.304 CC(=CCC/C(=C/COC(C)CF)/C)C 34a_100016041109_100016991246 [0,1,0,0,0,0|1,0,1]=3 108 B14R0.304 CC(=CCC/C(=C/COC(C)CF)/C)C 7a_100016041109_100016991246 [0,1,0,0,0,0|1,0,1]=3 109 B14R0.304 CC(=CCC/C(=C/COC(C)CN)/C)C 34a_100000210904_100016991246 [0,1,0,0,0,0|1,0,1]=3 110 B14R0.304 CC(=CCC/C(=C/CSC(C)C#N)/C)C 62a_100000703298_100016991246 [0,1,0,0,0,0|1,1,1]=4 111 B14R0.304 CC(=CCC/C(=C/CSC(C)C#N)/C)C 62a_100016991246_100000703298 [0,1,0,0,0,0|1,1,1]=4 112 B14R0.304 CC(=CCC/C(=C/CSC(C)CO)/C)C 62a_100012180447_100016991246 [0,1,0,0,0,0|0,1,2]=4 113 B14R0.304 CC(=CCC/C(=C/CS[C@H](C)CO)/C)C 62a_100016084084_100016991246 [0,1,0,0,0,0|0,1,2]=4 114 B14R0.304 CC(=CCC/C(=C/CS[C@H](C)CO)/C)C 62a_100016991246_100016084084 [0,1,0,0,0,0|0,1,2]=4 115 B14R0.304 CC(=CCC/C(=C\COC(C)C#N)/C)C 7a_100016990311_100000703298 [0,1,0,0,0,0|1,0,1]=3 116 B14R0.304 CC(=CCC/C(=C\COC(C)CO)/C)C 34a_100016990311_100012180447 [0,1,0,0,0,0|0,0,2]=3 117 B14R0.304 CC(=CCC/C(=C\COC(C)CO)/C)C 7a_100016990311_100012180447 [0,1,0,0,0,0|0,0,2]=3 118 B14R0.304 CCC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000210414 [0,1,0,0,0,0|1,0,0]=2 119 B14R0.304 CCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000210414 [0,1,0,0,0,0|1,0,0]=2 120 B14R0.304 CCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100000210414 [0,1,0,0,0,0|1,0,0]=2 121 B14R0.304 CCC(=O)NN=CC(C)CCC=C(C)C 4a_100000183195_100000033009 [0,1,0,0,0,0|2,0,1]=4 122 B14R0.304 CCC(C)NC/C=C(\C)/CCC=C(C)C 2230a_100000209981_100016991246 [0,1,0,0,0,0|2,0,1]=4 123 B14R0.304 CCC(C)NC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000758301 [0,1,0,0,0,0|2,0,1]=4 124 B14R0.304 CCC(C)NC/C=C(\C)/CCC=C(C)C 34a_200020676162_100011215416 [0,1,0,0,0,0|2,0,1]=4 125 B14R0.304 CCC(C)OC/C=C(/C)\CCC=C(C)C 34a_100016990311_100011215416 [0,1,0,0,0,0|1,0,1]=3 126 B14R0.304 CCC(C)OC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000758301 [0,1,0,0,0,0|1,0,1]=3 127 B14R0.304 CCC(C)OC/C=C(\C)/CCC=C(C)C 7a_100000210228_100016991246 [0,1,0,0,0,0|1,0,1]=3 128 B14R0.304 CCC(C)SC/C=C(\C)/CCC=C(C)C 62a_100000758301_100016991246 [0,1,0,0,0,0|1,1,1]=4 129 B14R0.304 CCC(C)SC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000758301 [0,1,0,0,0,0|1,1,1]=4 130 B14R0.304 CNC(=O)CCNC(C)CCC=C(C)C 270004a_100000738227_100000765506 [0,1,0,0,0,0|2,0,1]=4 131 B14R0.304 CNC(=O)CCOC(C)CCC=C(C)C 34a_100102619829_100012179268 [0,1,0,0,0,0|2,0,1]=4 132 B14R0.304 CNC(=O)CCOC(C)CCC=C(C)C 7a_100102619829_100000737683 [0,1,0,0,0,0|2,0,1]=4 133 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 2708a_100102657272_200020676162 [0,1,0,0,0,0|1,0,0]=2 134 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 2708a_200020676162_106832991635 [0,1,0,0,0,0|1,0,0]=2 135 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 273464a_100102657272_200020676162 [0,1,0,0,0,0|1,0,0]=2 136 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 273464a_200020676162_100102657272 [0,1,0,0,0,0|1,0,0]=2 137 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_106832991638_200020676162 [0,1,0,0,0,0|1,0,0]=2 138 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_200020676162_100102657272 [0,1,0,0,0,0|1,0,0]=2 139 B14R0.304 CNC(C)CCC=C(C)CCC=C(C)C 270004a_106832991635_100020644987 [0,1,0,0,0,0|2,0,1]=4 140 B14R0.304 COC(=O)CCCC(=O)CCC=C(C)C 1458a_100000239890_100011217483 [0,1,0,0,0,0|2,0,1]=4 141 B14R0.304 COC(=O)CCCN(C)CCC=C(C)C 269982a_100000739225_100011217483 [0,1,0,0,0,0|2,0,1]=4 142 B14R0.304 COC(=O)CCOC(C)CCC=C(C)C 34a_100102619829_100000742370 [0,1,0,0,0,0|2,0,1]=4 143 B14R0.304 COC(=O)CCOC(C)CCC=C(C)C 7a_100102619829_100000204255 [0,1,0,0,0,0|2,0,1]=4 144 B14R0.304 COC(C)SC/C=C(\C)/CCC=C(C)C 62a_100009879195_100016991246 [0,1,0,0,0,0|0,1,2]=4 145 B14R0.304 COC(C)SC/C=C(\C)/CCC=C(C)C 62a_100016991246_100009879195 [0,1,0,0,0,0|0,1,2]=4 146 B14R0.426 C=C(C)CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000748629 [0,1,0,0,0,0|2,0,1]=4 147 B14R0.426 CC(=CCCC(=CC(=O)CC(=O)N)C)C 1458a_100016995320_100000187820 [0,1,0,0,0,0|2,0,1]=4 148 B14R0.426 CC(=CCCC(=CC(=O)CC(=O)[O-])C)C 1458a_100016995320_100020667443 [0,1,0,0,0,0|2,0,1]=4 149 B14R0.1421 CC(=O)OCC(=O)N(C)CCCN(C)C 240690a_100000225831_100000183556 [0,1,0,0,0,0|2,0,1]=4 150 B14R0.1421 CC(=O)SC[C@@H](C)C(=O)CCC=C(C)C 1458a_200015407212_100011217483 [0,1,0,0,0,0|1,1,1]=4 151 B14R0.2691 CC(=CCC/C(=C/CNC(C)(C)C)/C)C 2230a_100000715429_100016991246 [0,1,0,0,0,0|2,0,1]=4 152 B14R0.2691 CC(=CCC/C(=C/CNC(C)(C)C)/C)C 34a_200020676162_100000210625 [0,1,0,0,0,0|2,0,1]=4 153 B14R0.2691 CC(=CCC/C(=C/CNS(=O)(=O)C)/C)C 40a_200020676162_100000738038 [0,1,0,0,0,0|2,0,0]=3 154 B14R0.2691 CC(=CCC/C(=C/COC(C)(C)C)/C)C 34a_100015890283_100016991246 [0,1,0,0,0,0|1,0,1]=3 155 B14R0.2691 CC(=CCC/C(=C/COC(C)(C)C)/C)C 7a_100015890283_100016991246 [0,1,0,0,0,0|1,0,1]=3 156 B14R0.2691 CC(=CCC/C(=C/CSC(C)(C)C)/C)C 62a_100000211941_100016991246 [0,1,0,0,0,0|1,1,1]=4 157 B14R0.2691 CC(=CCC/C(=C/CSC(C)(C)C)/C)C 62a_100016991246_100000211941 [0,1,0,0,0,0|1,1,1]=4 158 B14R0.2691 CC(=CCC/C(=C\COC(C)(C)C)/C)C 34a_100016990311_100000210625 [0,1,0,0,0,0|1,0,1]=3 159 B14R0.2691 CC(=CCC/C(=C\COC(F)(F)F)/C)C 34a_100016990311_200103152311 [0,1,0,0,0,0|2,0,1]=4 160 B14R0.2691 CC(=CCC/C(=C\COC(F)(F)F)/C)C 7a_100016990311_200000243211 [0,1,0,0,0,0|2,0,1]=4 161 B14R1.1456 CC(=O)OC1CN(C1)CCC=C(C)C 269982a_100016994906_100011217483 [0,0,0,1,0,0|1,0,1]=3 162 B14R1.1470 CC(=CCC/C(=C/CNC1CC1)/C)C 34a_100000212008_100016991246 [0,0,0,1,0,0|2,0,1]=4 163 B14R1.1470 CC(=CCC/C(=C/CNC1CC1)/C)C 34a_200020676162_100000211595 [0,0,0,1,0,0|2,0,1]=4 164 B14R1.1470 CC(=CCC/C(=C/CSC1CC1)/C)C 62a_100016991246_100000211595 [0,0,0,1,0,0|1,1,1]=4 165 B14R1.1470 CC(=CCC/C(=C\COC1CC1)/C)C 34a_100016990311_100000211595 [0,0,0,1,0,0|1,0,1]=3 166 B14R1.4268 CC(=CCCC(=O)C1CNC(=O)C1)C 1458a_100000747279_100011217483 [0,0,0,1,0,0|2,0,1]=4 167 B14R1.4917 CC(=CCCN1CCNC(=O)CC1)C 2230a_100000698595_100011217483 [0,0,0,1,0,0|2,0,1]=4 168 B14R1.4917 CC(=CCCN1CCNC(=O)CC1)C 269982a_100000698595_100011217483 [0,0,0,1,0,0|2,0,1]=4 169 B12R0.44 C=C(C)CCC(=O)CCC=C(C)C 1458a_200000688413_100011217483 [0,0,0,0,1,0|2,0,1]=4 170 B12R0.44 C=C(C)CCC(=O)CCOC(=O)C 1458a_200000688413_100009814007 [0,0,0,0,1,0|1,0,2]=4 171 B12R0.44 C=C(C)COC(C)CCC=C(C)C 34a_100102619829_100000748629 [0,0,0,0,1,0|2,0,1]=4 172 B12R0.44 C=C(C)COC(C)CCC=C(C)C 7a_100102619829_100000748629 [0,0,0,0,1,0|2,0,1]=4 173 B12R0.44 CC(=CCC(=O)CCOC(=O)N)C 1458a_100011220947_200011214921 [0,0,0,0,1,0|2,0,1]=4 174 B12R0.44 CC(=CCC/C(=C/CN(C)C)/C)C 2230a_100102631434_100016991246 [0,0,0,0,1,0|2,0,0]=3 175 B12R0.44 CC(=CCC/C(=C/CN(C)C)/C)C 269982a_100102631434_100016991246 [0,0,0,0,1,0|2,0,0]=3 176 B12R0.44 CC(=CCCC(=O)CC=C(C)C)C 1458a_100011220947_100011217483 [0,0,0,0,1,0|3,0,0]=4 177 B12R0.44 CC(=CCCC(=O)CCC(=O)N)C 1458a_100011215257_100011217483 [0,0,0,0,1,0|2,0,1]=4 178 B12R0.44 CC(=CCCC(=O)CNC(=O)N)C 1458a_100000184981_100011217483 [0,0,0,0,1,0|3,0,0]=4 179 B12R0.44 CC(=CCCC(=O)COC(C)C)C 1458a_100000745533_100011217483 [0,0,0,0,1,0|2,0,1]=4 180 B12R0.44 CC(=CCCC(C)OCC(=O)N)C 34a_100102619829_100000187820 [0,0,0,0,1,0|2,0,1]=4 181 B12R0.44 CC(=CCCC(C)OCC(=O)N)C 7a_100102619829_100000187820 [0,0,0,0,1,0|2,0,1]=4 182 B12R0.44 CC(=CCCC(C)OCC(=O)[O-])C 34a_100102619829_100020667443 [0,0,0,0,1,0|2,0,1]=4 183 B12R0.44 CC(=CCCN(C)CCC(=O)N)C 2230a_100000730477_100011217483 [0,0,0,0,1,0|2,0,1]=4 184 B12R0.44 CC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000070787_100016991246 [0,0,0,0,1,0|0,0,0]=1 185 B12R0.44 CC(=O)CCC(C)CCC=C(C)C 1458a_100000070787_100009814015 [0,0,0,0,1,0|0,0,2]=3 186 B12R0.44 CC(=O)CCCC(=O)CC=C(C)C 1458a_100011220947_100011215641 [0,0,0,0,1,0|2,0,1]=4 187 B12R0.44 CC(=O)CCCC(=O)COC(=O)C 1458a_100000183556_100011215641 [0,0,0,0,1,0|2,0,1]=4 188 B12R0.44 CC(=O)NCC(=O)CCC=C(C)C 1458a_100000194580_100011217483 [0,0,0,0,1,0|2,0,0]=3 189 B12R0.44 CC(=O)NCC(=O)NCC=C(C)C 11a_100000718196_100000194580 [0,0,0,0,1,0|3,0,0]=4 190 B12R0.44 CC(=O)NCC(=O)NCC=C(C)C 1626a_100000718196_100000194580 [0,0,0,0,1,0|3,0,0]=4 191 B12R0.44 CC(=O)NCC(=O)NCC=C(C)C 527a_100000718196_100000194580 [0,0,0,0,1,0|3,0,0]=4 192 B12R0.44 CC(=O)NCCC(=O)CC=C(C)C 1458a_100000183196_100000761012 [0,0,0,0,1,0|2,0,1]=4 193 B12R0.44 CC(=O)NCCC(=O)CC=C(C)C 1458a_100011220947_100000189650 [0,0,0,0,1,0|2,0,1]=4 194 B12R0.44 CC(=O)NCCC(=O)COC(=O)C 1458a_100000183556_100000189650 [0,0,0,0,1,0|3,0,0]=4 195 B12R0.44 CC(=O)NN=C(C)CCC=C(C)C 4a_100000189765_100000765506 [0,0,0,0,1,0|2,0,0]=3 196 B12R0.44 CC(=O)OCC(=O)CCC=C(C)C 1458a_100000183556_100011217483 [0,0,0,0,1,0|1,0,0]=2 197 B12R0.44 CC(=O)OCC(=O)CCC=C(F)F 1458a_100000183556_200009816681 [0,0,0,0,1,0|3,0,0]=4 198 B12R0.44 CC(=O)OCC(=O)CCCC(C)C 1458a_100000183556_100011214892 [0,0,0,0,1,0|1,0,2]=4 199 B12R0.44 CC(=O)OCC(=O)CCCN(C)C 1458a_100000183556_100000695564 [0,0,0,0,1,0|2,0,1]=4 200 B12R0.44 CC(=O)OCC(=O)CCOC(C)C 1458a_100000183556_100000211751 [0,0,0,0,1,0|2,0,1]=4 201 B12R0.44 CC(=O)OCC(=O)CCSC(C)C 1458a_100000183556_100000730970 [0,0,0,0,1,0|2,0,1]=4 202 B12R0.44 CC(=O)OCC(=O)NCC=C(C)C 1626a_100000718196_100000183556 [0,0,0,0,1,0|2,0,0]=3 203 B12R0.44 CC(=O)OCC(=O)NCC=C(C)C 527a_100000718196_100000183556 [0,0,0,0,1,0|2,0,0]=3 204 B12R0.44 CC(=O)OCC(C)NCC=C(C)C 270004a_100000718196_100000000629 [0,0,0,0,1,0|1,0,1]=3 205 B12R0.44 CC(=O)OCCC(=O)CC=C(C)C 1458a_100011220947_100009814007 [0,0,0,0,1,0|1,0,1]=3 206 B12R0.44 CC(=O)OCCC(=O)CCC(C)C 1458a_100000181311_100009814007 [0,0,0,0,1,0|1,0,2]=4 207 B12R0.44 CC(=O)OCCC(=O)CC[S+](C)C 1458a_100009452791_100009814007 [0,0,0,0,1,0|2,0,1]=4 208 B12R0.44 CC(=O)OCCC(=O)COC(=O)C 1458a_100000183556_100009814007 [0,0,0,0,1,0|3,0,0]=4 209 B12R0.44 CC(=O)OCCN(C)CCC(C)C 269982a_100000742789_100009814007 [0,0,0,0,1,0|1,0,2]=4 210 B12R0.44 CC(=O)OCCN(C)CCN(C)C 269982a_100000225618_100009814007 [0,0,0,0,1,0|2,0,1]=4 211 B12R0.44 CC(=O)OCN(C)CCCN(C)C 269982a_100000225831_100000076356 [0,0,0,0,1,0|2,0,1]=4 212 B12R0.44 CC(=O)OCOC(C)CCC(C)C 34a_100011215350_100009813279 [0,0,0,0,1,0|1,0,2]=4 213 B12R0.44 CC(=O)OCSC(C)CCC(C)C 62a_100000076356_100011261404 [0,0,0,0,1,0|1,0,2]=4 214 B12R0.44 CC(=O)OCSC(C)CCC(C)C 62a_100011261404_100000076356 [0,0,0,0,1,0|1,0,2]=4 215 B12R0.44 CC(=O)SCC(=O)CCC=C(C)C 1458a_100000049016_100011217483 [0,0,0,0,1,0|1,1,0]=3 216 B12R0.44 CC(=O)SCC(=O)NCC=C(C)C 11a_100000718196_100000049016 [0,0,0,0,1,0|2,1,0]=4 217 B12R0.44 CC(=O)SCC(=O)NCC=C(C)C 1626a_100000718196_100000049016 [0,0,0,0,1,0|2,1,0]=4 218 B12R0.44 CC(=O)SCCC(=O)CC=C(C)C 1458a_100000048949_100000761012 [0,0,0,0,1,0|1,1,1]=4 219 B14R0.67 C=C(C)CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000748629 [0,0,0,0,0,1|2,0,0]=3 220 B14R0.67 C=C(C)CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000748629 [0,0,0,0,0,1|2,0,0]=3 221 B14R0.67 C=C(C)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000748629 [0,0,0,0,0,1|1,0,0]=2 222 B14R0.67 C=C(C)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000748629 [0,0,0,0,0,1|1,0,0]=2 223 B14R0.67 C=C(C)COC/C=C(\C)/CCC=C(C)C 34a_100000210245_100016991246 [0,0,0,0,0,1|1,0,0]=2 224 B14R0.67 C=C(C)COCCC(C)CCC=C(C)C 34a_100000017536_100000748629 [0,0,0,0,0,1|1,0,2]=4 225 B14R0.67 C=C(C)COCCC(C)CCC=C(C)C 34a_100000210245_100009814015 [0,0,0,0,0,1|1,0,2]=4 226 B14R0.67 C=C(C)COCCC(C)CCC=C(C)C 7a_100000017536_100000748629 [0,0,0,0,0,1|1,0,2]=4 227 B14R0.67 C=C(C)CSC/C=C(\C)/CCC=C(C)C 62a_100000748629_100016991246 [0,0,0,0,0,1|1,1,0]=3 228 B14R0.67 C=C(C)CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000211660 [0,0,0,0,0,1|1,1,0]=3 229 B14R0.67 C=C(F)CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100009893438 [0,0,0,0,0,1|2,0,1]=4 230 B14R0.67 C=C(F)CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100009893438 [0,0,0,0,0,1|2,0,1]=4 231 B14R0.67 C=C(F)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100009893438 [0,0,0,0,0,1|1,0,1]=3 232 B14R0.67 C=C(F)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000042424 [0,0,0,0,0,1|1,0,1]=3 233 B14R0.67 C=C(F)COC/C=C(\C)/CCC=C(C)C 34a_200010262243_100016991246 [0,0,0,0,0,1|1,0,1]=3 234 B14R0.67 C=C(F)CSC/C=C(\C)/CCC=C(C)C 62a_100000042424_100016991246 [0,0,0,0,0,1|1,1,1]=4 235 B14R0.67 C=C(F)CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000042424 [0,0,0,0,0,1|1,1,1]=4 236 B14R0.67 CC(=CCC/C(=C/CNCC(=O)N)/C)C 2230a_100000711301_100016991246 [0,0,0,0,0,1|2,0,0]=3 237 B14R0.67 CC(=CCC/C(=C/CNCC(=O)N)/C)C 2230a_200020676162_100000747473 [0,0,0,0,0,1|2,0,0]=3 238 B14R0.67 CC(=CCC/C(=C/CNCC(=O)N)/C)C 34a_200020676162_100000187820 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[0,0,0,0,0,1|0,0,2]=3 281 B14R0.67 CC(=CCC/C(=C\COC[N+](=O)[O-])/C)C 34a_100016990311_100000761209 [0,0,0,0,0,1|2,0,0]=3 282 B14R0.67 CC(=CCCC(C)CCOCC(=O)N)C 34a_100000017536_100000187820 [0,0,0,0,0,1|1,0,2]=4 283 B14R0.67 CC(=CCCC(C)CCOCC(=O)N)C 7a_100000017536_100000187820 [0,0,0,0,0,1|1,0,2]=4 284 B14R0.67 CC(=CCCC(C)CCOCC(=O)[O-])C 34a_100000017536_100020667443 [0,0,0,0,0,1|1,0,2]=4 285 B14R0.67 CC(=CCCC(C)OCCOC(=O)N)C 34a_100102619829_200011214921 [0,0,0,0,0,1|1,0,2]=4 286 B14R0.67 CC(=CCCC(C)OCCOC(=O)N)C 7a_100102619829_200011214921 [0,0,0,0,0,1|1,0,2]=4 287 B14R0.67 CC(=O)CCCOC(C)CCC=C(C)C 34a_100102619829_100000685027 [0,0,0,0,0,1|1,0,2]=4 288 B14R0.67 CC(=O)CCCOC(C)CCC=C(C)C 7a_100102619829_100011215641 [0,0,0,0,0,1|1,0,2]=4 289 B14R0.67 CC(=O)COC/C=C(\C)/CCC=C(C)C 34a_100000211253_100016991246 [0,0,0,0,0,1|0,0,0]=1 290 B14R0.67 CC(=O)COCCC(C)CCC=C(C)C 34a_100000211253_100009814015 [0,0,0,0,0,1|0,0,2]=3 291 B14R0.67 CC(=O)NCCCC(=O)CCC=C(C)C 1458a_100000194741_100011217483 [0,0,0,0,0,1|2,0,1]=4 292 B14R0.67 CC(=O)NCCOC(C)CCC=C(C)C 7a_100102619829_100000189650 [0,0,0,0,0,1|1,0,2]=4 293 B14R0.67 CC(=O)NN=CC=C(C)CCC=C(C)C 4a_100000189765_100000211119 [0,0,0,0,0,1|1,0,1]=3 294 B14R0.67 CC(=O)NN=CCC(C)CCC=C(C)C 4a_100000189765_100000212096 [0,0,0,0,0,1|2,0,1]=4 295 B14R0.67 CC(=O)OCCNC(=O)NCC=C(C)C 2708a_100000718196_100000724843 [0,0,0,0,0,1|2,0,1]=4 296 B14R0.67 CC(=O)OCCNC(=O)NCC=C(C)C 273464a_100000718196_100000724843 [0,0,0,0,0,1|2,0,1]=4 297 B14R0.67 CC(=O)OCCNC(=O)NCC=C(C)C 273464a_100000724843_100000718196 [0,0,0,0,0,1|2,0,1]=4 298 B14R0.67 CC(=O)OCCNC(=O)NCC=C(C)C 512a_100000718196_100000724843 [0,0,0,0,0,1|2,0,1]=4 299 B14R0.67 CC(=O)OCCNC(=O)NCC=C(C)C 512a_100000724843_100000718196 [0,0,0,0,0,1|2,0,1]=4 300 B14R0.67 CC(=O)OCCOC(C)CCC=C(C)C 34a_100102619829_100009814007 [0,0,0,0,0,1|0,0,2]=3 301 B14R0.67 CC(=O)OCCOC(C)CCC=C(C)C 7a_100102619829_100009814007 [0,0,0,0,0,1|0,0,2]=3 302 B11R0.147 C=CCCC(=O)CCOC(=O)C 1458a_100000749702_100009814007 [2,0,0,0,0,0|1,0,1]=4 303 B11R0.147 C=CCCC(C)OCOC(=O)C 34a_100000765329_100009813279 [2,0,0,0,0,0|1,0,1]=4 304 B11R0.147 C=CCCN(C)CCOC(=O)C 269982a_100020639649_100009814007 [2,0,0,0,0,0|1,0,1]=4 305 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 2230a_200020676162_200025704644 [2,0,0,0,0,0|1,0,0]=3 306 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 34a_200020676162_200025704644 [2,0,0,0,0,0|1,0,0]=3 307 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_100016991246_200025704644 [2,0,0,0,0,0|0,1,0]=3 308 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_200025704644_100016991246 [2,0,0,0,0,0|0,1,0]=3 309 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 34a_100016990311_200025704644 [2,0,0,0,0,0|0,0,0]=2 310 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 7a_100016990311_200025704644 [2,0,0,0,0,0|0,0,0]=2 311 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 34a_100000017536_200025704644 [2,0,0,0,0,0|0,0,2]=4 312 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 7a_100000017536_200025704644 [2,0,0,0,0,0|0,0,2]=4 313 B11R0.147 CC(=CCCC(C)OCC=O)C 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[2,0,0,0,0,0|0,0,0]=2 325 B11R0.147 COC/C=C(\C)/CCC=C(C)C 34a_100138415774_100016991246 [2,0,0,0,0,0|0,0,0]=2 326 B11R0.147 COC=CC(=O)CCC=C(C)C 1458a_100016268678_100011217483 [2,0,0,0,0,0|1,0,1]=4 327 B11R0.147 COCCC(=O)CCC=C(C)C 1458a_100000749529_100011217483 [2,0,0,0,0,0|1,0,1]=4 328 B11R0.147 COCCC(C)CCC=C(C)C 34a_100000017536_200000210301 [2,0,0,0,0,0|0,0,2]=4 329 B11R0.147 COCCC(C)CCC=C(C)C 34a_100138415774_100009814015 [2,0,0,0,0,0|0,0,2]=4 330 B11R0.147 COCCC(C)CCC=C(C)C 7a_100000017536_200000210301 [2,0,0,0,0,0|0,0,2]=4 331 B11R0.147 COCCN(C)CCC=C(C)C 2230a_100000743101_100011217483 [2,0,0,0,0,0|1,0,1]=4 332 B11R0.147 COCCN(C)CCC=C(C)C 269982a_100000743101_100011217483 [2,0,0,0,0,0|1,0,1]=4 333 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_200000210301 [2,0,0,0,0,0|0,1,0]=3 334 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_200000210301_100016991246 [2,0,0,0,0,0|0,1,0]=3 335 B11R0.148 C/C=C/CCOCCOC(=O)C 34a_100016278192_100009814007 [2,0,0,0,0,0|1,0,1]=4 336 B11R0.148 CC=CCCCOCOC(=O)C 34a_100020645299_100009813279 [2,0,0,0,0,0|1,0,1]=4 337 B13R0.1 C#CCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000184674 [1,1,0,0,0,0|0,0,2]=4 338 B13R0.1 C#CCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000038162 [1,1,0,0,0,0|0,0,2]=4 339 B13R0.1 C#CCOC/C=C(\C)/CCC=C(C)C 34a_100000210247_100016991246 [1,1,0,0,0,0|0,0,2]=4 340 B13R0.1 C=CCNC/C=C(\C)/CCC=C(C)C 2230a_100020586998_100016991246 [1,1,0,0,0,0|1,0,1]=4 341 B13R0.1 C=CCNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000210623 [1,1,0,0,0,0|1,0,1]=4 342 B13R0.1 C=CCNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100015514636 [1,1,0,0,0,0|1,0,1]=4 343 B13R0.1 C=CCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100015514636 [1,1,0,0,0,0|0,0,1]=3 344 B13R0.1 C=CCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100015514636 [1,1,0,0,0,0|0,0,1]=3 345 B13R0.1 C=CCOC/C=C(\C)/CCC=C(C)C 34a_200000210373_100016991246 [1,1,0,0,0,0|0,0,1]=3 346 B13R0.1 C=CCSC/C=C(\C)/CCC=C(C)C 62a_100000210623_100016991246 [1,1,0,0,0,0|0,1,1]=4 347 B13R0.1 C=CCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000210623 [1,1,0,0,0,0|0,1,1]=4 348 B13R0.1 CC(=CCC/C(=C/CNCC=O)/C)C 2230a_200020676162_200015260668 [1,1,0,0,0,0|1,0,0]=3 349 B13R0.1 CC(=CCC/C(=C/CNCC=O)/C)C 34a_200020676162_200009817547 [1,1,0,0,0,0|1,0,0]=3 350 B13R0.1 CC(=CCC/C(=C/CNCCF)/C)C 2230a_200020676162_100011217306 [1,1,0,0,0,0|1,0,1]=4 351 B13R0.1 CC(=CCC/C(=C/CNCCF)/C)C 34a_100000724931_100016991246 [1,1,0,0,0,0|1,0,1]=4 352 B13R0.1 CC(=CCC/C(=C/CNCCF)/C)C 34a_200020676162_100011217306 [1,1,0,0,0,0|1,0,1]=4 353 B13R0.1 CC(=CCC/C(=C/CNCCO)/C)C 2230a_100016997473_100016991246 [1,1,0,0,0,0|1,0,1]=4 354 B13R0.1 CC(=CCC/C(=C/CNCCO)/C)C 2230a_200020676162_100000211926 [1,1,0,0,0,0|1,0,1]=4 355 B13R0.1 CC(=CCC/C(=C/CNCCO)/C)C 34a_100016990907_100016991246 [1,1,0,0,0,0|1,0,1]=4 356 B13R0.1 CC(=CCC/C(=C/CNCCO)/C)C 34a_200020676162_100000211926 [1,1,0,0,0,0|1,0,1]=4 357 B13R0.1 CC(=CCC/C(=C/COCCBr)/C)C 34a_100000211926_100016991246 [1,1,0,0,0,0|0,0,1]=3 358 B13R0.1 CC(=CCC/C(=C/COCCN)/C)C 34a_100000210304_100016991246 [1,1,0,0,0,0|0,0,1]=3 359 B13R0.1 CC(=CCC/C(=C/CSCC=O)/C)C 62a_100016991246_200015260668 [1,1,0,0,0,0|0,1,0]=3 360 B13R0.1 CC(=CCC/C(=C/CSCC=O)/C)C 62a_200015260668_100016991246 [1,1,0,0,0,0|0,1,0]=3 361 B13R0.1 CC(=CCC/C(=C/CSCCF)/C)C 62a_100011217306_100016991246 [1,1,0,0,0,0|0,1,1]=4 362 B13R0.1 CC(=CCC/C(=C/CSCCF)/C)C 62a_100016991246_100011217306 [1,1,0,0,0,0|0,1,1]=4 363 B13R0.1 CC(=CCC/C(=C/CSCCO)/C)C 62a_100000211926_100016991246 [1,1,0,0,0,0|0,1,1]=4 364 B13R0.1 CC(=CCC/C(=C/CSCCO)/C)C 62a_100016991246_100000211926 [1,1,0,0,0,0|0,1,1]=4 365 B13R0.1 CC(=CCC/C(=C\COCC#N)/C)C 7a_100016990311_100011215382 [1,1,0,0,0,0|0,0,2]=4 366 B13R0.1 CC(=CCC/C(=C\COCC=O)/C)C 34a_100016990311_200009817547 [1,1,0,0,0,0|0,0,0]=2 367 B13R0.1 CC(=CCC/C(=C\COCC=O)/C)C 7a_100016990311_200015260668 [1,1,0,0,0,0|0,0,0]=2 368 B13R0.1 CC(=CCC/C(=C\COCCF)/C)C 34a_100016990311_100011217306 [1,1,0,0,0,0|0,0,1]=3 369 B13R0.1 CC(=CCC/C(=C\COCCF)/C)C 7a_100016990311_100011217306 [1,1,0,0,0,0|0,0,1]=3 370 B13R0.1 CC(=CCC/C(=C\COCCO)/C)C 34a_100016990311_100000211926 [1,1,0,0,0,0|0,0,1]=3 371 B13R0.1 CC(=CCC/C(=C\COCCO)/C)C 7a_100016990311_100000211926 [1,1,0,0,0,0|0,0,1]=3 372 B13R0.1 CC(=CCCC(C)CCOCC=O)C 34a_100000017536_200009817547 [1,1,0,0,0,0|0,0,2]=4 373 B13R0.1 CC(=CCCC(C)CCOCC=O)C 7a_100000017536_200015260668 [1,1,0,0,0,0|0,0,2]=4 374 B13R0.1 CCCNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000210303 [1,1,0,0,0,0|1,0,1]=4 375 B13R0.1 CCCNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000210303 [1,1,0,0,0,0|1,0,1]=4 376 B13R0.1 CCCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000210303 [1,1,0,0,0,0|0,0,1]=3 377 B13R0.1 CCCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000210303 [1,1,0,0,0,0|0,0,1]=3 378 B13R0.1 CCCOC/C=C(\C)/CCC=C(C)C 34a_100000210258_100016991246 [1,1,0,0,0,0|0,0,1]=3 379 B13R0.1 CCCSC/C=C(\C)/CCC=C(C)C 62a_100000210303_100016991246 [1,1,0,0,0,0|0,1,1]=4 380 B13R0.1 CCCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000210303 [1,1,0,0,0,0|0,1,1]=4 381 B13R0.1 COCNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000766300 [1,1,0,0,0,0|1,0,1]=4 382 B13R0.1 COCSC/C=C(\C)/CCC=C(C)C 62a_100000766300_100016991246 [1,1,0,0,0,0|0,1,1]=4 383 B13R0.1 COCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000766300 [1,1,0,0,0,0|0,1,1]=4 384 B13R0.1 CSCNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100011218213 [1,1,0,0,0,0|1,0,1]=4 385 B13R0.1 CSCNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100011218213 [1,1,0,0,0,0|1,0,1]=4 386 B13R0.1 CSCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100011218213 [1,1,0,0,0,0|0,0,1]=3 387 B13R0.1 CSCSC/C=C(\C)/CCC=C(C)C 62a_100011218213_100016991246 [1,1,0,0,0,0|0,1,1]=4 388 B13R0.1 CSCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100011218213 [1,1,0,0,0,0|0,1,1]=4 389 B13R0.493 C=CC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000185746_100016991246 [1,1,0,0,0,0|1,0,1]=4 390 B13R0.493 CCC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000210414_100016991246 [1,1,0,0,0,0|1,0,1]=4 391 B13R0.493 CCN(C)C/C=C(\C)/CCC=C(C)C 2230a_100000225621_100016991246 [1,1,0,0,0,0|1,0,1]=4 392 B13R0.493 CCN(C)C/C=C(\C)/CCC=C(C)C 269982a_100000225621_100016991246 [1,1,0,0,0,0|1,0,1]=4 393 B13R0.182 CC(=O)OCC(=O)CNCC=C(C)C 34a_100000718196_100000036994 [1,1,0,0,0,0|1,0,1]=4 394 B13R0.182 CC(=O)OCC(=O)COCC=C(C)C 34a_100000753907_100000036994 [1,1,0,0,0,0|1,0,1]=4 395 B13R0.182 CC(=O)OCC(=O)CSCC=C(C)C 62a_100000036994_100000761012 [1,1,0,0,0,0|1,0,1]=4 396 B13R0.182 CC(=O)OCC(=O)CSCC=C(C)C 62a_100000761012_100000036994 [1,1,0,0,0,0|1,0,1]=4 397 B13R0.202 CCC(=O)OCCOCCC=C(C)C 7a_200000031056_100011217483 [1,1,0,0,0,0|1,0,1]=4 398 B13R0.202 CNC(=O)OCCSCCC=C(C)C 62a_100011217483_200011997002 [1,1,0,0,0,0|1,0,1]=4 399 B13R0.202 CNC(=O)OCCSCCC=C(C)C 62a_200011997002_100011217483 [1,1,0,0,0,0|1,0,1]=4 400 B13R0.202 COC(=O)OCCOCCC=C(C)C 34a_100010262106_100011217483 [1,1,0,0,0,0|1,0,1]=4 401 B13R0.208 CNC(=O)OCCC(=O)CC=C(C)C 1458a_100011220947_200011997002 [0,1,0,0,1,0|1,0,1]=4 402 B13R0.349 CC(=O)OCC(=O)C(C)CCC(C)C 1458a_100000183556_100011261404 [0,1,0,0,1,0|0,0,2]=4 403 B13R0.349 CC(=O)OCC(=O)N(C)CCC(C)C 1626a_100000742789_100000183556 [0,1,0,0,1,0|1,0,1]=4 404 B13R0.349 CC(=O)OCC(=O)N(C)CCC(C)C 240690a_100000742789_100000183556 [0,1,0,0,1,0|1,0,1]=4 405 B13R0.349 CC(=O)OCC(=O)N(C)CCC(C)C 527a_100000742789_100000183556 [0,1,0,0,1,0|1,0,1]=4 406 B13R0.349 CC(=O)OCC(=O)N(C)CCN(C)C 240690a_100000225618_100000183556 [0,1,0,0,1,0|2,0,0]=4 407 B13R0.349 CC(=O)OCC(=O)N(C)CCN(C)C 527a_100000225618_100000183556 [0,1,0,0,1,0|2,0,0]=4 408 B13R0.444 CC(=O)C(C)OC(C)CCC=C(C)C 7a_100102619829_100000179758 [0,1,0,0,1,0|1,0,1]=4 409 B13R0.444 CC(=O)N(C)CC(=O)CCC=C(C)C 1458a_100000194957_100011217483 [0,1,0,0,1,0|2,0,0]=4 410 B13R0.1157 CC(=O)OCC(CCl)OCC=C(C)C 7a_200000139349_100000761012 [0,1,0,0,1,0|1,0,1]=4 411 B13R0.1403 CC(=O)N[C@H](C)C(=O)CCC=C(C)C 1458a_100011504603_100011217483 [0,1,0,0,1,0|2,0,0]=4 412 B13R0.1403 CC(=O)O[C@@H](C)C(=O)CCC=C(C)C 1458a_100009816467_100011217483 [0,1,0,0,1,0|1,0,0]=3 413 B13R0.1403 CC(=O)O[C@@H](C)C(=O)NCC=C(C)C 11a_100000718196_100009816467 [0,1,0,0,1,0|2,0,0]=4 414 B13R0.1403 CC(=O)O[C@@H](C)C(=O)NCC=C(C)C 1626a_100000718196_100009816467 [0,1,0,0,1,0|2,0,0]=4 415 B13R0.1403 CC(=O)O[C@@H](C)C(=O)NCC=C(C)C 527a_100000718196_100009816467 [0,1,0,0,1,0|2,0,0]=4 416 B15R0.246 C=C(C#N)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000694840 [0,1,0,0,0,1|1,0,1]=4 417 B15R0.246 C=CC(C)COC/C=C(\C)/CCC=C(C)C 34a_100011215527_100016991246 [0,1,0,0,0,1|1,0,1]=4 418 B15R0.246 C=CC(C)COC/C=C(\C)/CCC=C(C)C 7a_100011215527_100016991246 [0,1,0,0,0,1|1,0,1]=4 419 B15R0.246 CC(=CCC/C(=C/COCC(C)CN)/C)C 34a_100000744482_100016991246 [0,1,0,0,0,1|1,0,1]=4 420 B15R0.246 CC(=CCC/C(=C/COCC(Cl)CCl)/C)C 34a_100000033668_100016991246 [0,1,0,0,0,1|1,0,1]=4 421 B15R0.246 CC(=CCC/C(=C/COC[C@H](F)CN)/C)C 34a_100015665980_100016991246 [0,1,0,0,0,1|1,0,1]=4 422 B15R0.246 CC(=CCC/C(=C\COCC(O)CO)/C)C 34a_100016990311_100011219619 [0,1,0,0,0,1|0,0,2]=4 423 B15R0.246 CC(=CCC/C(=C\COCC(O)CO)/C)C 7a_100016990311_100011219619 [0,1,0,0,0,1|0,0,2]=4 424 B15R0.246 CC(=CCC/C(=C\COC[C@@H](C)CO)/C)C 34a_100016990311_100000059175 [0,1,0,0,0,1|0,0,2]=4 425 B15R0.246 CC(=CCC/C(=C\COC[C@@H](C)CO)/C)C 7a_100016990311_100000059175 [0,1,0,0,0,1|0,0,2]=4 426 B15R0.246 CC(=CCC/C(=C\COC[C@@H](O)CF)/C)C 34a_100016990311_100015614560 [0,1,0,0,0,1|0,0,2]=4 427 B15R0.246 CC(=CCC/C(=C\COC[C@@H](O)CF)/C)C 7a_100016990311_100015614560 [0,1,0,0,0,1|0,0,2]=4 428 B15R0.246 CC(=CCC/C(=C\COC[C@@H](O)CO)/C)C 34a_100016990311_100009815848 [0,1,0,0,0,1|0,0,2]=4 429 B15R0.246 CC(=CCC/C(=C\COC[C@@H](O)CO)/C)C 7a_100016990311_100009815848 [0,1,0,0,0,1|0,0,2]=4 430 B15R0.246 CCC(=O)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000747405 [0,1,0,0,0,1|0,0,0]=2 431 B15R0.246 CCC(=O)COC/C=C(\C)/CCC=C(C)C 34a_100000725409_100016991246 [0,1,0,0,0,1|0,0,0]=2 432 B15R0.246 CCC(=O)COCCC(C)CCC=C(C)C 34a_100000725409_100009814015 [0,1,0,0,0,1|0,0,2]=4 433 B15R0.246 CCC(=O)COCCC(C)CCC=C(C)C 7a_100000017536_100000747405 [0,1,0,0,0,1|0,0,2]=4 434 B15R0.246 CCC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100000747405_100016991246 [0,1,0,0,0,1|0,1,0]=3 435 B15R0.246 CCC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000747405 [0,1,0,0,0,1|0,1,0]=3 436 B15R0.246 CCC(=O)NN=CC=C(C)CCC=C(C)C 4a_100000183195_100000211119 [0,1,0,0,0,1|1,0,1]=4 437 B15R0.246 CCC(C)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000748023 [0,1,0,0,0,1|1,0,1]=4 438 B15R0.246 CCC(C)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000748023 [0,1,0,0,0,1|1,0,1]=4 439 B15R0.246 CCC(O)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100011218378 [0,1,0,0,0,1|0,0,2]=4 440 B15R0.246 CCC(O)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100011218378 [0,1,0,0,0,1|0,0,2]=4 441 B15R0.246 CC[C@H](C)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100009816398 [0,1,0,0,0,1|1,0,1]=4 442 B15R0.246 CC[C@H](C)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100009816398 [0,1,0,0,0,1|1,0,1]=4 443 B15R0.246 CC[C@H](C)COC/C=C(\C)/CCC=C(C)C 7a_100009816381_100016991246 [0,1,0,0,0,1|1,0,1]=4 444 B15R0.246 CNC(=O)CNC/C=C(\C)/CCC=C(C)C 2230a_100000693194_100016991246 [0,1,0,0,0,1|1,0,0]=3 445 B15R0.246 CNC(=O)CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000183359 [0,1,0,0,0,1|1,0,0]=3 446 B15R0.246 CNC(=O)CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000183359 [0,1,0,0,0,1|1,0,0]=3 447 B15R0.246 CNC(=O)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000183359 [0,1,0,0,0,1|0,0,0]=2 448 B15R0.246 CNC(=O)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000183359 [0,1,0,0,0,1|0,0,0]=2 449 B15R0.246 CNC(=O)COC/C=C(\C)/CCC=C(C)C 34a_100000750040_100016991246 [0,1,0,0,0,1|0,0,0]=2 450 B15R0.246 CNC(=O)COCCC(C)CCC=C(C)C 34a_100000017536_100000183359 [0,1,0,0,0,1|0,0,2]=4 451 B15R0.246 CNC(=O)COCCC(C)CCC=C(C)C 34a_100000750040_100009814015 [0,1,0,0,0,1|0,0,2]=4 452 B15R0.246 CNC(=O)COCCC(C)CCC=C(C)C 7a_100000017536_100000183359 [0,1,0,0,0,1|0,0,2]=4 453 B15R0.246 CNC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100000183359_100016991246 [0,1,0,0,0,1|0,1,0]=3 454 B15R0.246 CNC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000183359 [0,1,0,0,0,1|0,1,0]=3 455 B15R0.246 CNC(=O)OCCOC(C)CCC=C(C)C 34a_100102619829_200011997002 [0,1,0,0,0,1|0,0,2]=4 456 B15R0.246 CNC(=O)OCCOC(C)CCC=C(C)C 7a_100102619829_200011997002 [0,1,0,0,0,1|0,0,2]=4 457 B15R0.246 COC(=O)CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000747449 [0,1,0,0,0,1|1,0,0]=3 458 B15R0.246 COC(=O)CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000747449 [0,1,0,0,0,1|1,0,0]=3 459 B15R0.246 COC(=O)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000747449 [0,1,0,0,0,1|0,0,0]=2 460 B15R0.246 COC(=O)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000747449 [0,1,0,0,0,1|0,0,0]=2 461 B15R0.246 COC(=O)COCCC(C)CCC=C(C)C 34a_100000017536_100000747449 [0,1,0,0,0,1|0,0,2]=4 462 B15R0.246 COC(=O)COCCC(C)CCC=C(C)C 7a_100000017536_100000747449 [0,1,0,0,0,1|0,0,2]=4 463 B15R0.246 COC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100000747449_100016991246 [0,1,0,0,0,1|0,1,0]=3 464 B15R0.246 COC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000747449 [0,1,0,0,0,1|0,1,0]=3 465 B15R0.246 COC(C)COC/C=C(\C)/CCC=C(C)C 34a_100000690652_100016991246 [0,1,0,0,0,1|0,0,2]=4 466 B15R0.2650 CC(=CCC/C(=C/COCC(C)(C)F)/C)C 34a_100000716592_100016991246 [0,1,0,0,0,1|1,0,1]=4 467 B15R0.2650 CC(=CCC/C(=C/COCC(C)(F)F)/C)C 34a_100000068830_100016991246 [0,1,0,0,0,1|1,0,1]=4 468 B15R0.2650 CC(=CCC/C(=C\COCC(C)(C)C)/C)C 34a_100016990311_100011219605 [0,1,0,0,0,1|1,0,1]=4 469 B15R0.2650 CC(=CCC/C(=C\COCC(C)(C)F)/C)C 34a_100016990311_100011997219 [0,1,0,0,0,1|1,0,1]=4 470 B15R0.2650 CC(=CCC/C(=C\COCC(C)(C)O)/C)C 34a_100016990311_100000764493 [0,1,0,0,0,1|0,0,2]=4 471 B15R0.2650 CC(=CCC/C(=C\COCC(C)(C)O)/C)C 7a_100016990311_100000764493 [0,1,0,0,0,1|0,0,2]=4 472 B15R0.2650 CC(=CCC/C(=C\COCS(=O)(=O)[O-])/C)C 34a_100016990311_100009817235 [0,1,0,0,0,1|2,0,0]=4 473 B15R0.2650 CC(=CCC/C(=C\COC[Si](C)(C)C)/C)C 7a_100016990311_100000233785 [0,1,0,0,0,1|1,1,0]=4 474 B15R0.2721 C=C(C)CN(C)C/C=C(\C)/CCC=C(C)C 2230a_100000225649_100016991246 [0,1,0,0,0,1|2,0,0]=4 475 B15R0.2721 C=C(C)CN(C)C/C=C(\C)/CCC=C(C)C 269982a_100000225649_100016991246 [0,1,0,0,0,1|2,0,0]=4 476 B15R0.2721 CC(=CCC/C(=C/CC(=O)C=C(C)C)/C)C 1458a_100000211388_100016991246 [0,1,0,0,0,1|2,0,0]=4 477 B15R0.2721 CC(=CCC/C(=C/CC(=O)C=C(C)Cl)/C)C 1458a_200042562850_100016991246 [0,1,0,0,0,1|2,0,0]=4 478 B15R0.2721 CC(=CCC/C(=C/CC(=O)C=C(C)I)/C)C 1458a_100025716642_100016991246 [0,1,0,0,0,1|2,0,0]=4 479 B15R0.2721 CC(=CCC/C(=C/CC(=O)CC(=O)N)/C)C 1458a_100134613110_100016991246 [0,1,0,0,0,1|2,0,0]=4 480 B15R0.2721 CC(=CCC/C(=C/CN(C)CC(=O)N)/C)C 2230a_100000739694_100016991246 [0,1,0,0,0,1|2,0,0]=4 481 B15R0.2721 CC(=CCC/C(=C/CN(C)CC(=O)O)/C)C 269956a_100000746989_100016991246 [0,1,0,0,0,1|2,0,0]=4 482 B15R0.2722 C=C(C)C(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000185857 [0,1,0,0,0,1|2,0,0]=4 483 B15R0.2722 C=C(C)C(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000185857 [0,1,0,0,0,1|2,0,0]=4 484 B15R0.2722 CC(=CCC/C(=C/CNC(C)C(=O)N)/C)C 2230a_200020676162_100000702099 [0,1,0,0,0,1|2,0,0]=4 485 B15R0.2722 CC(=CCC/C(=C/CNC(C)C(=O)N)/C)C 34a_200020676162_100000702099 [0,1,0,0,0,1|2,0,0]=4 486 B15R0.2722 CC(=CCC/C(=C/CNC(F)C(=O)N)/C)C 2230a_200020676162_100009813875 [0,1,0,0,0,1|2,0,0]=4 487 B15R0.2722 CC(=CCC/C(=C/CNC(F)C(=O)N)/C)C 34a_200020676162_100009813875 [0,1,0,0,0,1|2,0,0]=4 488 B15R0.2722 CC(=CCC/C(=C/CNC(F)C(=O)[O-])/C)C 34a_200020676162_100020610796 [0,1,0,0,0,1|2,0,0]=4 489 B15R0.2722 CC(=CCC/C(=C/CN[C@@H](C)C(=O)O)/C)C 269956a_100000743915_100016991246 [0,1,0,0,0,1|2,0,0]=4 490 B15R0.2722 CC(=CCC/C(=C/CN[C@H](C)C(=O)N)/C)C 2230a_100000119354_100016991246 [0,1,0,0,0,1|2,0,0]=4 491 B15R0.2722 CC(=CCC/C(=C/CN[C@H](C)C(=O)N)/C)C 34a_100000119354_100016991246 [0,1,0,0,0,1|2,0,0]=4 492 B15R0.2722 CC(=CCC/C(=C/COC(C)C(C)C)/C)C 7a_100000748068_100016991246 [0,1,0,0,0,1|1,0,1]=4 493 B15R0.2722 CC(=CCC/C(=C/CO[C@@H](C)C(=O)[O-])/C)C 7a_217856618621_100016991246 [0,1,0,0,0,1|1,0,0]=3 494 B15R0.2722 CC(=CCC/C(=C/CO[C@H](C)C(=O)N)/C)C 34a_100000731257_100016991246 [0,1,0,0,0,1|1,0,0]=3 495 B15R0.2722 CC(=CCC/C(=C/CO[C@H](C)C(=O)N)/C)C 7a_100000731257_100016991246 [0,1,0,0,0,1|1,0,0]=3 496 B15R0.2722 CC(=CCC/C(=C/CSC(C)C(=O)N)/C)C 62a_100000702099_100016991246 [0,1,0,0,0,1|1,1,0]=4 497 B15R0.2722 CC(=CCC/C(=C/CSC(C)C(=O)N)/C)C 62a_100016991246_100000702099 [0,1,0,0,0,1|1,1,0]=4 498 B15R0.2722 CC(=CCC/C(=C/CSC(F)C(=O)N)/C)C 62a_100009813875_100016991246 [0,1,0,0,0,1|1,1,0]=4 499 B15R0.2722 CC(=CCC/C(=C/CSC(F)C(=O)N)/C)C 62a_100016991246_100009813875 [0,1,0,0,0,1|1,1,0]=4 500 B15R0.2722 CC(=CCC/C(=C/CSC(F)C(=O)[O-])/C)C 62a_100016991246_100020610796 [0,1,0,0,0,1|1,1,0]=4 501 B15R0.2722 CC(=CCC/C(=C/CSC(F)C(=O)[O-])/C)C 62a_100020610796_100016991246 [0,1,0,0,0,1|1,1,0]=4 502 B15R0.2722 CC(=CCC/C(=C\COC(C)C(=O)N)/C)C 34a_100016990311_100000702099 [0,1,0,0,0,1|1,0,0]=3 503 B15R0.2722 CC(=CCC/C(=C\COC(C)C(=O)N)/C)C 7a_100016990311_100000702099 [0,1,0,0,0,1|1,0,0]=3 504 B15R0.2722 CC(=CCC/C(=C\COC(F)C(=O)N)/C)C 34a_100016990311_100009813875 [0,1,0,0,0,1|1,0,0]=3 505 B15R0.2722 CC(=CCC/C(=C\COC(F)C(=O)N)/C)C 7a_100016990311_100009813875 [0,1,0,0,0,1|1,0,0]=3 506 B15R0.2722 CC(=CCC/C(=C\COC(F)C(=O)[O-])/C)C 34a_100016990311_100020610796 [0,1,0,0,0,1|1,0,0]=3 507 B15R0.2722 CC(=O)C(C)NC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100009814033 [0,1,0,0,0,1|1,0,0]=3 508 B15R0.2722 CC(=O)C(C)OC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000179758 [0,1,0,0,0,1|0,0,0]=2 509 B15R0.2722 CC(=O)C(C)OC/C=C(\C)/CCC=C(C)C 34a_100000212229_100016991246 [0,1,0,0,0,1|0,0,0]=2 510 B15R0.2722 CC(=O)C(C)OCCC(C)CCC=C(C)C 34a_100000212229_100009814015 [0,1,0,0,0,1|0,0,2]=4 511 B15R0.2722 CC(=O)C(C)OCCC(C)CCC=C(C)C 7a_100000017536_100000179758 [0,1,0,0,0,1|0,0,2]=4 512 B15R0.2722 CC(=O)C(C)SC/C=C(\C)/CCC=C(C)C 62a_100009814033_100016991246 [0,1,0,0,0,1|0,1,0]=3 513 B15R0.2722 CC(=O)C(C)SC/C=C(\C)/CCC=C(C)C 62a_100016991246_100009814033 [0,1,0,0,0,1|0,1,0]=3 514 B15R0.2724 C=C(C)CCC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000730704 [0,1,0,0,0,1|2,0,0]=4 515 B15R0.2724 CC(=CCCC(=CC(=O)CC=C(C)C)C)C 1458a_100016995320_100000761012 [0,1,0,0,0,1|2,0,0]=4 516 B15R0.2724 CC(=O)NNC(=O)C=C(C)CCC=C(C)C 22a_100000189765_100016995320 [0,1,0,0,0,1|1,0,1]=4 517 B15R0.1697 C/C=C(\C)/C(=O)C/C=C(\C)/CCC=C(C)C 1458a_100020587367_100016991246 [0,2,0,0,0,0|2,0,0]=4 518 B15R0.1697 CNC(=O)C(=O)C/C=C(\C)/CCC=C(C)C 1458a_100011218921_100016991246 [0,2,0,0,0,0|1,0,0]=3 519 B15R0.2637 CC(=O)C(C)C(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000179758 [0,2,0,0,0,0|1,0,1]=4 520 B15R0.110 C#CCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100011220946 [0,2,0,0,0,0|1,0,0]=3 521 B15R0.110 C#CCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100011220946 [0,2,0,0,0,0|1,0,0]=3 522 B15R0.110 C#CCC(C)OC/C=C(\C)/CCC=C(C)C 34a_100000685586_100016991246 [0,2,0,0,0,0|1,0,1]=4 523 B15R0.110 C#CCC(C)OC/C=C(\C)/CCC=C(C)C 7a_100000685586_100016991246 [0,2,0,0,0,0|1,0,1]=4 524 B15R0.110 C/C=C/C(C)OC/C=C(\C)/CCC=C(C)C 34a_200102604097_100016991246 [0,2,0,0,0,0|1,0,1]=4 525 B15R0.110 C=CCC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000210193 [0,2,0,0,0,0|1,0,0]=3 526 B15R0.110 C=CCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000210193 [0,2,0,0,0,0|1,0,0]=3 527 B15R0.110 C=CCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100000210193 [0,2,0,0,0,0|1,0,0]=3 528 B15R0.110 C=CC[C@@H](C)OC/C=C(\C)/CCC=C(C)C 34a_100000731007_100016991246 [0,2,0,0,0,0|1,0,1]=4 529 B15R0.110 C=CC[C@@H](C)OC/C=C(\C)/CCC=C(C)C 7a_100000731007_100016991246 [0,2,0,0,0,0|1,0,1]=4 530 B15R0.110 CC#CC(C)OC/C=C(\C)/CCC=C(C)C 34a_100011216543_100016991246 [0,2,0,0,0,0|1,0,1]=4 531 B15R0.110 CC(=CCC/C(=C/CNC(=O)C=CBr)/C)C 1626a_200020676162_100016273825 [0,2,0,0,0,0|1,0,1]=4 532 B15R0.110 CC(=CCC/C(=C/CNC(=O)C=CCl)/C)C 11a_200020676162_200016279998 [0,2,0,0,0,0|1,0,1]=4 533 B15R0.110 CC(=CCC/C(=C/CNC(=O)C=CCl)/C)C 1626a_200020676162_200016279998 [0,2,0,0,0,0|1,0,1]=4 534 B15R0.110 CC(=CCC/C(=C/CNC(=O)C=CI)/C)C 1626a_200020676162_100016256311 [0,2,0,0,0,0|1,0,1]=4 535 B15R0.110 CC(=CCC/C(=C/CNC(=O)CC#N)/C)C 1626a_200020676162_100051588842 [0,2,0,0,0,0|1,0,0]=3 536 B15R0.110 CC(=CCC/C(=C/COC(C)CCBr)/C)C 34a_100012276601_100016991246 [0,2,0,0,0,0|1,0,1]=4 537 B15R0.110 CC(=CCC/C(=C\COC(C)CC#N)/C)C 7a_100016990311_100009813641 [0,2,0,0,0,0|1,0,1]=4 538 B15R0.110 CC(=CCC/C(=C\COC(C)CCO)/C)C 34a_100016990311_100009893172 [0,2,0,0,0,0|0,0,2]=4 539 B15R0.110 CC(=CCC/C(=C\COC(C)CCO)/C)C 7a_100016990311_100009893172 [0,2,0,0,0,0|0,0,2]=4 540 B15R0.110 CC=CC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000210699 [0,2,0,0,0,0|1,0,0]=3 541 B15R0.110 CC=CC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000210699 [0,2,0,0,0,0|1,0,0]=3 542 B15R0.110 CCCC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000211992 [0,2,0,0,0,0|1,0,0]=3 543 B15R0.110 CCCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000211992 [0,2,0,0,0,0|1,0,0]=3 544 B15R0.110 CCCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100000211992 [0,2,0,0,0,0|1,0,0]=3 545 B15R0.110 CCCC(=O)OCOC(C)CCC=C(C)C 34a_100102619829_100000034017 [0,2,0,0,0,0|1,0,1]=4 546 B15R0.110 CCCC(C)OC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000766640 [0,2,0,0,0,0|1,0,1]=4 547 B15R0.110 CCCC(C)OC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000766640 [0,2,0,0,0,0|1,0,1]=4 548 B15R0.110 CCCC(C)OC/C=C(\C)/CCC=C(C)C 34a_100000764384_100016991246 [0,2,0,0,0,0|1,0,1]=4 549 B15R0.110 CCCC(C)OC/C=C(\C)/CCC=C(C)C 7a_100000764384_100016991246 [0,2,0,0,0,0|1,0,1]=4 550 B15R0.110 CCNC(=O)NC/C=C(\C)/CCC=C(C)C 2708a_100015525214_200020676162 [0,2,0,0,0,0|1,0,0]=3 551 B15R0.110 CCNC(=O)NC/C=C(\C)/CCC=C(C)C 2708a_200020676162_100015525214 [0,2,0,0,0,0|1,0,0]=3 552 B15R0.110 CCNC(=O)NC/C=C(\C)/CCC=C(C)C 273464a_100015525214_200020676162 [0,2,0,0,0,0|1,0,0]=3 553 B15R0.110 CCNC(=O)NC/C=C(\C)/CCC=C(C)C 273464a_200020676162_100015525214 [0,2,0,0,0,0|1,0,0]=3 554 B15R0.110 CCNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_100015525214_200020676162 [0,2,0,0,0,0|1,0,0]=3 555 B15R0.110 CCNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_200020676162_100015525214 [0,2,0,0,0,0|1,0,0]=3 556 B15R0.110 CNNC(=O)NC/C=C(\C)/CCC=C(C)C 273464a_200020676162_100016993582 [0,2,0,0,0,0|1,0,0]=3 557 B15R0.110 CNNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_100016993582_200020676162 [0,2,0,0,0,0|1,0,0]=3 558 B15R0.110 CNNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_200020676162_100016993582 [0,2,0,0,0,0|1,0,0]=3 559 B15R0.110 COCC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000210968 [0,2,0,0,0,0|1,0,0]=3 560 B15R0.110 COCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000210968 [0,2,0,0,0,0|1,0,0]=3 561 B15R0.110 COCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100000210968 [0,2,0,0,0,0|1,0,0]=3 562 B15R0.110 COCC(C)OC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000765312 [0,2,0,0,0,0|0,0,2]=4 563 B15R0.110 COCC(C)OC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000765312 [0,2,0,0,0,0|0,0,2]=4 564 B15R0.110 COC[C@@H](C)OC/C=C(\C)/CCC=C(C)C 34a_100011934205_100016991246 [0,2,0,0,0,0|0,0,2]=4 565 B15R0.110 CSCC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000184570 [0,2,0,0,0,0|1,0,0]=3 566 B15R0.110 CSCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000184570 [0,2,0,0,0,0|1,0,0]=3 567 B15R0.110 CSCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100000184570 [0,2,0,0,0,0|1,0,0]=3 568 B15R0.303 CCC(=O)CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000747405 [0,2,0,0,0,0|1,0,1]=4 569 B15R0.303 CNC(=O)CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000183359 [0,2,0,0,0,0|1,0,1]=4 570 B15R0.303 COC(=O)CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000747449 [0,2,0,0,0,0|1,0,1]=4 571 B15R0.331 C#CC(C)(C)OC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000038118 [0,2,0,0,0,0|1,0,1]=4 572 B15R0.331 C#CC(C)(C)OC/C=C(\C)/CCC=C(C)C 34a_100000189450_100016991246 [0,2,0,0,0,0|1,0,1]=4 573 B15R0.331 C#CC(C)(C)OC/C=C(\C)/CCC=C(C)C 7a_100000189450_100016991246 [0,2,0,0,0,0|1,0,1]=4 574 B15R0.331 C=CC(C)(C)OC/C=C(\C)/CCC=C(C)C 34a_100011215311_100016991246 [0,2,0,0,0,0|1,0,1]=4 575 B15R0.331 C=CC(C)(C)OC/C=C(\C)/CCC=C(C)C 7a_100011215311_100016991246 [0,2,0,0,0,0|1,0,1]=4 576 B15R0.331 CC(=CCC/C(=C/CNS(=O)(=O)CCl)/C)C 270084a_200020676162_100000031410 [0,2,0,0,0,0|2,0,0]=4 577 B15R0.331 CC(=CCC/C(=C/CNS(=O)(=O)CCl)/C)C 274078a_200020676162_100000031410 [0,2,0,0,0,0|2,0,0]=4 578 B15R0.331 CC(=CCC/C(=C/COC(C)(C)C#N)/C)C 34a_200015195151_100016991246 [0,2,0,0,0,0|1,0,1]=4 579 B15R0.331 CC(=CCC/C(=C/COC(C)(C)CCl)/C)C 7a_100000764493_100016991246 [0,2,0,0,0,0|1,0,1]=4 580 B15R0.331 CC(=CCC/C(=C\COC(C)(C)C#N)/C)C 34a_100016990311_100011162410 [0,2,0,0,0,0|1,0,1]=4 581 B15R0.331 CC(=CCC/C(=C\COC(C)(C)C#N)/C)C 7a_100016990311_100011162410 [0,2,0,0,0,0|1,0,1]=4 582 B15R0.331 CCC(C)(C)OC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000210677 [0,2,0,0,0,0|1,0,1]=4 583 B15R0.331 CCC(C)(C)OC/C=C(\C)/CCC=C(C)C 7a_100000210230_100016991246 [0,2,0,0,0,0|1,0,1]=4 584 B15R0.331 CCS(=O)(=O)NC/C=C(\C)/CCC=C(C)C 270084a_200020676162_100000211323 [0,2,0,0,0,0|2,0,0]=4 585 B15R0.331 CCS(=O)(=O)NC/C=C(\C)/CCC=C(C)C 274078a_200020676162_100000211323 [0,2,0,0,0,0|2,0,0]=4 586 B15R0.331 CCS(=O)(=O)NC/C=C(\C)/CCC=C(C)C 40a_200020676162_100000053943 [0,2,0,0,0,0|2,0,0]=4 587 B15R0.1746 C#CC(CC)OC/C=C(\C)/CCC=C(C)C 34a_100000758843_100016991246 [0,2,0,0,0,0|1,0,1]=4 588 B15R0.1746 C#CC(CC)OC/C=C(\C)/CCC=C(C)C 7a_100000758843_100016991246 [0,2,0,0,0,0|1,0,1]=4 589 B15R0.1746 C=CC(CC)OC/C=C(\C)/CCC=C(C)C 34a_100000766422_100016991246 [0,2,0,0,0,0|1,0,1]=4 590 B15R0.1746 C=CC(CC)OC/C=C(\C)/CCC=C(C)C 7a_100000766422_100016991246 [0,2,0,0,0,0|1,0,1]=4 591 B15R0.1746 CC(=CCC/C(=C/COC(CCl)CCl)/C)C 7a_100000737055_100016991246 [0,2,0,0,0,0|1,0,1]=4 592 B15R0.1746 CC(=CCC/C(=C/COC(CF)CF)/C)C 34a_100000032261_100016991246 [0,2,0,0,0,0|1,0,1]=4 593 B15R0.1746 CC(=CCC/C(=C/COC(CF)CF)/C)C 7a_100000032261_100016991246 [0,2,0,0,0,0|1,0,1]=4 594 B15R0.1746 CC(=CCC/C(=C/COC(CN)CN)/C)C 34a_100000031598_100016991246 [0,2,0,0,0,0|1,0,1]=4 595 B15R0.1746 CC(=CCC/C(=C/CO[C@@H](CF)CCl)/C)C 34a_100015614560_100016991246 [0,2,0,0,0,0|1,0,1]=4 596 B15R0.1746 CC(=CCC/C(=C/CO[C@@H](CF)CCl)/C)C 7a_100015614560_100016991246 [0,2,0,0,0,0|1,0,1]=4 597 B15R0.1746 CC(=CCC/C(=C\COC(C=O)C=O)/C)C 34a_100016990311_100000736813 [0,2,0,0,0,0|0,0,2]=4 598 B15R0.1746 CCC(CC)OC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000210505 [0,2,0,0,0,0|1,0,1]=4 599 B15R0.1746 CCC(CC)OC/C=C(\C)/CCC=C(C)C 7a_100000688536_100016991246 [0,2,0,0,0,0|1,0,1]=4 600 B15R0.12897 C#CC(C)(CCC=C(C)C)OCOC(=O)C 34a_100102524899_100009813279 [0,2,0,0,0,0|1,0,1]=4 601 B15R0.12897 C=CC(C)(CCC=C(C)C)OCOC(=O)C 34a_100000033386_100009813279 [0,2,0,0,0,0|1,0,1]=4 602 B13R1.149 CC(=CCCN1CCOC(=O)C1)C 2230a_100000131268_100011217483 [1,0,0,1,0,0|1,0,1]=4 603 B13R1.149 CC(=O)OCCN1CCC=C(C1)C 269982a_100000725631_100009814007 [1,0,0,1,0,0|1,0,1]=4 604 B13R1.149 CC(=O)OCCN1CCC=C(C1)C 34a_100000725631_100009814007 [1,0,0,1,0,0|1,0,1]=4 605 B13R1.342 CC(=O)OCCC(=O)C1CC=CC1 1458a_100000759439_100009814007 [1,0,0,1,0,0|1,0,1]=4 606 B13R1.513 CC(=O)OCCN1CC=C(CC1)C 269982a_100000693516_100009814007 [0,0,0,1,1,0|1,0,1]=4 607 B13R1.513 CC(=O)OCCN1CC=C(CC1)C 34a_100000693516_100009814007 [0,0,0,1,1,0|1,0,1]=4 608 B13R1.1024 CC(=O)OC1CN(C1)CC=C(C)C 269982a_100016994906_100000761012 [0,0,0,1,1,0|1,0,1]=4 609 B13R1.3835 CC(=CCCC(=O)[C@@H]1CC(=O)N1)C 1458a_100016090685_100011217483 [0,0,0,1,1,0|2,0,0]=4 610 B15R1.5468 CC(=CCCC(=Cc1noc(n1)C)C)C 270196a_200016990163_100000070787 [0,0,0,1,0,1|1,0,1]=4 611 B15R1.8273 CC(=CCCC(C)N1CCOC(=O)C1)C 270004a_100000131268_100000765506 [0,0,0,1,0,1|0,0,2]=4 612 B15R1.8994 CC(=CCC/C(=C/COCC1CC1)/C)C 34a_100000211283_100016991246 [0,0,0,1,0,1|1,0,1]=4 613 B15R1.8994 CC(=CCC/C(=C/COC[C@@H]1CO1)/C)C 34a_100000757423_100016991246 [0,0,0,1,0,1|0,0,2]=4 614 B15R1.8994 CC(=CCC/C(=C\COCC1CC1)/C)C 34a_100016990311_100000742324 [0,0,0,1,0,1|1,0,1]=4 615 B15R1.8994 CC(=CCC/C(=C\COCC1CC1)/C)C 7a_100016990311_100000742324 [0,0,0,1,0,1|1,0,1]=4 616 B15R1.8994 CC(=CCC/C(=C\COCC1CO1)/C)C 34a_100016990311_102125554688 [0,0,0,1,0,1|0,0,2]=4 617 B15R1.8994 CC(=CCC/C(=C\COCC1CO1)/C)C 7a_100016990311_102125554688 [0,0,0,1,0,1|0,0,2]=4 618 B15R1.8994 CC(=CCC/C(=C\COCC1CS1)/C)C 7a_100016990311_100000031435 [0,0,0,1,0,1|0,1,1]=4 619 B15R1.8994 CC(=CCC/C(=C\COC[C@@H]1CO1)/C)C 7a_100016990311_100000745022 [0,0,0,1,0,1|0,0,2]=4 620 B15R1.882 CC(=O)OCCC(=O)C1CC=C(CC1)C 1458a_100000137427_100009814007 [0,1,0,1,0,0|1,0,1]=4 621 B15R1.8993 CC(=CCC/C(=C/COC1CCC1)/C)C 34a_100000748187_100016991246 [0,1,0,1,0,0|1,0,1]=4 622 B15R1.8993 CC(=CCC/C(=C/COC1CSC1)/C)C 7a_100000072292_100016991246 [0,1,0,1,0,0|0,1,1]=4 623 B15R1.8993 CC(=CCC/C(=C\COC1CCC1)/C)C 34a_100016990311_100000749161 [0,1,0,1,0,0|1,0,1]=4 624 B15R1.8993 CC(=CCC/C(=C\COC1COC1)/C)C 34a_100016990311_100009818527 [0,1,0,1,0,0|0,0,2]=4 625 B15R1.8993 CC(=CCC/C(=C\COC1COC1)/C)C 7a_100016990311_100009818527 [0,1,0,1,0,0|0,0,2]=4 626 B15R1.31783 CC(=CCC/C(=C/COC1(CC1)C)/C)C 7a_100011725673_100016991246 [0,1,0,1,0,0|1,0,1]=4 627 B11R0.30 CC(=O)CCOCCC=C(C)C 34a_100000759926_100011217483 [1,0,0,0,1,0|1,0,1]=4 628 B11R0.30 CC(=O)CCOCCC=C(C)C 7a_100000759926_100011217483 [1,0,0,0,1,0|1,0,1]=4 629 B11R0.30 CC(=O)CCSCCC=C(C)C 62a_100000053229_100011217483 [1,0,0,0,1,0|1,0,1]=4 630 B11R0.30 CC(=O)CCSCCC=C(C)C 62a_100011217483_100000053229 [1,0,0,0,1,0|1,0,1]=4 631 B11R0.30 CC(=O)OCCNCC=C(C)C 34a_100000718196_100009814007 [1,0,0,0,1,0|1,0,1]=4 632 B11R0.30 CC(=O)OCCOCC=C(C)C 34a_100000753907_100009814007 [1,0,0,0,1,0|1,0,1]=4 633 B11R0.30 CC(=O)OCCSCC=C(C)C 62a_100000761012_100009814007 [1,0,0,0,1,0|1,0,1]=4 634 B11R0.30 CC(=O)OCCSCC=C(C)C 62a_100009814007_100000761012 [1,0,0,0,1,0|1,0,1]=4 635 B11R0.30 CC(=O)OCSCCC=C(C)C 62a_100000076356_100011217483 [1,0,0,0,1,0|1,0,0]=3 636 B11R0.30 CC(=O)OCSCCC=C(C)C 62a_100011217483_100000076356 [1,0,0,0,1,0|1,0,0]=3 637 B11R0.6 C=C(C)CN(C)CCC=C(C)C 2230a_100000225649_100011217483 [0,0,0,0,2,0|2,0,0]=4 638 B11R0.6 C=C(C)CN(C)CCC=C(C)C 269982a_100000225649_100011217483 [0,0,0,0,2,0|2,0,0]=4 639 B11R0.6 CC(=CCCC(=CC(=O)[13CH3])C)C 1458a_100016995320_200025704644 [0,0,0,0,2,0|0,0,0]=2 640 B11R0.6 CC(=CCCC(=O)C=C(C)C)C 1458a_100000211388_100011217483 [0,0,0,0,2,0|2,0,0]=4 641 B11R0.6 CC(=CCCC(=O)C=C(C)Cl)C 1458a_200042562850_100011217483 [0,0,0,0,2,0|2,0,0]=4 642 B11R0.6 CC(=CCCC(=O)C=C(C)I)C 1458a_100025716642_100011217483 [0,0,0,0,2,0|2,0,0]=4 643 B11R0.6 CC(=CCCC(=O)CC(=O)N)C 1458a_100134613110_100011217483 [0,0,0,0,2,0|2,0,0]=4 644 B11R0.6 CC(=CCCC(C)CC(=O)[13CH3])C 1458a_100000043202_200025704644 [0,0,0,0,2,0|0,0,1]=3 645 B11R0.6 CC(=CCCN(C)CC(=O)N)C 2230a_100000739694_100011217483 [0,0,0,0,2,0|2,0,0]=4 646 B11R0.6 CC(=CCCN(C)CC(=O)O)C 269956a_100000746989_100011217483 [0,0,0,0,2,0|2,0,0]=4 647 B11R0.6 CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_200000210301 [0,0,0,0,2,0|0,0,0]=2 648 B11R0.6 CC(=O)CC(C)CCC=C(C)C 1458a_100000043202_200000210301 [0,0,0,0,2,0|0,0,1]=3 649 B11R0.6 CC(=O)OC(C)SCC=C(C)C 62a_100000761012_100009818208 [0,0,0,0,2,0|1,0,1]=4 650 B11R0.6 CC(=O)OC(C)SCC=C(C)C 62a_100009818208_100000761012 [0,0,0,0,2,0|1,0,1]=4 651 B11R0.6 CC(=O)OCCC(=O)C=C(C)C 1458a_100000211388_100009814007 [0,0,0,0,2,0|1,0,1]=4 652 B11R0.6 CC(=O)OCOC(C)C=C(C)C 34a_100000717055_100009813279 [0,0,0,0,2,0|1,0,1]=4 653 B11R0.85 C=C(C)CCC(=O)COC(=O)C 1458a_100000183556_100000730704 [0,0,0,0,2,0|1,0,1]=4 654 B11R0.85 CC(=O)NCC(=O)CC=C(C)C 1458a_100000194580_100000761012 [0,0,0,0,2,0|2,0,0]=4 655 B11R0.85 CC(=O)OCC(=O)CC=C(C)C 1458a_100000183556_100000761012 [0,0,0,0,2,0|1,0,0]=3 656 B11R0.85 CC(=O)OCC(=O)CCC(C)C 1458a_100000183556_100000210312 [0,0,0,0,2,0|1,0,1]=4 657 B11R0.85 CC(=O)OCN(C)CCC(C)C 269982a_100000742789_100000076356 [0,0,0,0,2,0|1,0,1]=4 658 B11R0.85 CC(=O)OCN(C)CCN(C)C 269982a_100000225618_100000076356 [0,0,0,0,2,0|2,0,0]=4 659 B11R0.85 CC(=O)SCC(=O)CC=C(C)C 1458a_100000049016_100000761012 [0,0,0,0,2,0|1,1,0]=4 660 B13R0.179 CC(=O)OCCCCNCC=C(C)C 34a_100000718196_100000033659 [1,0,0,0,0,1|0,0,2]=4 661 B13R0.179 CC(=O)OCCCCOCC=C(C)C 34a_100000073216_100000761012 [1,0,0,0,0,1|0,0,2]=4 662 B13R0.179 CC(=O)OCCCCOCC=C(C)C 34a_100000753907_100000033659 [1,0,0,0,0,1|0,0,2]=4 663 B13R0.179 CC(=O)OCCCCOCC=C(C)C 7a_100000073216_100000761012 [1,0,0,0,0,1|0,0,2]=4 664 B13R0.179 CC(=O)OCCCCSCC=C(C)C 62a_100000033659_100000761012 [1,0,0,0,0,1|0,0,2]=4 665 B13R0.179 CC(=O)OCCCCSCC=C(C)C 62a_100000761012_100000033659 [1,0,0,0,0,1|0,0,2]=4 666 B13R0.179 CC(=O)OCCCSCCC=C(C)C 62a_100000042594_100011217483 [1,0,0,0,0,1|0,0,2]=4 667 B13R0.179 CC(=O)OCCCSCCC=C(C)C 62a_100011217483_100000042594 [1,0,0,0,0,1|0,0,2]=4 668 B13R0.179 CC(=O)OCCOCNCC=C(C)C 34a_100000718196_100000076355 [1,0,0,0,0,1|1,0,1]=4 669 B13R0.179 CC(=O)OCCOCOCC=C(C)C 34a_100000753907_100000076355 [1,0,0,0,0,1|1,0,1]=4 670 B13R0.179 CC(=O)OCCOCSCC=C(C)C 62a_100000076355_100000761012 [1,0,0,0,0,1|1,0,1]=4 671 B13R0.179 CC(=O)OCCOCSCC=C(C)C 62a_100000761012_100000076355 [1,0,0,0,0,1|1,0,1]=4 672 B15R0.221 C=C(Br)CCOC/C=C(\C)/CCC=C(C)C 34a_100009813270_100016991246 [0,0,0,0,0,2|1,0,1]=4 673 B15R0.221 C=C(C)CCNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000730704 [0,0,0,0,0,2|2,0,0]=4 674 B15R0.221 C=C(C)CCNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000730704 [0,0,0,0,0,2|2,0,0]=4 675 B15R0.221 C=C(C)CCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000730704 [0,0,0,0,0,2|1,0,0]=3 676 B15R0.221 C=C(C)CCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000730704 [0,0,0,0,0,2|1,0,0]=3 677 B15R0.221 C=C(C)CCOC/C=C(\C)/CCC=C(C)C 34a_100000764851_100016991246 [0,0,0,0,0,2|1,0,0]=3 678 B15R0.221 C=C(C)CCSC/C=C(\C)/CCC=C(C)C 62a_100000730704_100016991246 [0,0,0,0,0,2|1,1,0]=4 679 B15R0.221 C=C(C)CCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000730704 [0,0,0,0,0,2|1,1,0]=4 680 B15R0.221 CC(=CCC/C(=C/CNCC=C(C)C)/C)C 2230a_200020676162_100000761012 [0,0,0,0,0,2|2,0,0]=4 681 B15R0.221 CC(=CCC/C(=C/CNCC=C(C)C)/C)C 34a_100000718196_100016991246 [0,0,0,0,0,2|2,0,0]=4 682 B15R0.221 CC(=CCC/C(=C/CNCC=C(C)C)/C)C 34a_200020676162_100000761012 [0,0,0,0,0,2|2,0,0]=4 683 B15R0.221 CC(=CCC/C(=C/CNCCC(=O)N)/C)C 2230a_200020676162_100000744528 [0,0,0,0,0,2|2,0,0]=4 684 B15R0.221 CC(=CCC/C(=C/CNCCC(=O)N)/C)C 34a_200020676162_100000731001 [0,0,0,0,0,2|2,0,0]=4 685 B15R0.221 CC(=CCC/C(=C/CNCOC(C)C)/C)C 2230a_200020676162_100000709892 [0,0,0,0,0,2|1,0,1]=4 686 B15R0.221 CC(=CCC/C(=C/CNCOC(C)C)/C)C 34a_200020676162_100000709892 [0,0,0,0,0,2|1,0,1]=4 687 B15R0.221 CC(=CCC/C(=C/CNOCC(=O)O)/C)C 269956a_100000106656_100016991246 [0,0,0,0,0,2|1,0,0]=3 688 B15R0.221 CC(=CCC/C(=C/COCC=C(C)C)/C)C 34a_100000753907_100016991246 [0,0,0,0,0,2|1,0,0]=3 689 B15R0.221 CC(=CCC/C(=C/COCCC(=O)N)/C)C 34a_100000757172_100016991246 [0,0,0,0,0,2|1,0,0]=3 690 B15R0.221 CC(=CCC/C(=C/COCCC(=O)N)/C)C 7a_100000757172_100016991246 [0,0,0,0,0,2|1,0,0]=3 691 B15R0.221 CC(=CCC/C(=C/COCCC(C)Br)/C)C 34a_100009893172_100016991246 [0,0,0,0,0,2|1,0,1]=4 692 B15R0.221 CC(=CCC/C(=C/COCCC(C)C)/C)C 34a_100000210254_100016991246 [0,0,0,0,0,2|1,0,1]=4 693 B15R0.221 CC(=CCC/C(=C/COCCC(C)C)/C)C 7a_100000210254_100016991246 [0,0,0,0,0,2|1,0,1]=4 694 B15R0.221 CC(=CCC/C(=C/COCC[C@@H](C)N)/C)C 34a_100000706166_100016991246 [0,0,0,0,0,2|1,0,1]=4 695 B15R0.221 CC(=CCC/C(=C/CSCC=C(C)C)/C)C 62a_100000761012_100016991246 [0,0,0,0,0,2|1,1,0]=4 696 B15R0.221 CC(=CCC/C(=C/CSCC=C(C)C)/C)C 62a_100016991246_100000761012 [0,0,0,0,0,2|1,1,0]=4 697 B15R0.221 CC(=CCC/C(=C/CSCCC(=O)N)/C)C 62a_100000744528_100016991246 [0,0,0,0,0,2|1,1,0]=4 698 B15R0.221 CC(=CCC/C(=C/CSCCC(=O)N)/C)C 62a_100016991246_100000744528 [0,0,0,0,0,2|1,1,0]=4 699 B15R0.221 CC(=CCC/C(=C/CSCOC(C)C)/C)C 62a_100000709892_100016991246 [0,0,0,0,0,2|1,0,1]=4 700 B15R0.221 CC(=CCC/C(=C/CSCOC(C)C)/C)C 62a_100016991246_100000709892 [0,0,0,0,0,2|1,0,1]=4 701 B15R0.221 CC(=CCC/C(=C\COCC=C(C)C)/C)C 34a_100016990311_100000761012 [0,0,0,0,0,2|1,0,0]=3 702 B15R0.221 CC(=CCC/C(=C\COCC=C(C)C)/C)C 7a_100016990311_100000761012 [0,0,0,0,0,2|1,0,0]=3 703 B15R0.221 CC(=CCC/C(=C\COCCC(=O)N)/C)C 34a_100016990311_100000731001 [0,0,0,0,0,2|1,0,0]=3 704 B15R0.221 CC(=CCC/C(=C\COCCC(=O)N)/C)C 7a_100016990311_100000744528 [0,0,0,0,0,2|1,0,0]=3 705 B15R0.221 CC(=CCC/C(=C\COCCC(C)C)/C)C 34a_100016990311_100000210312 [0,0,0,0,0,2|1,0,1]=4 706 B15R0.221 CC(=CCC/C(=C\COCCC(C)C)/C)C 7a_100016990311_100000210626 [0,0,0,0,0,2|1,0,1]=4 707 B15R0.221 CC(=CCC/C(=C\COCCC(C)O)/C)C 34a_100016990311_100012276601 [0,0,0,0,0,2|0,0,2]=4 708 B15R0.221 CC(=CCC/C(=C\COCCC(C)O)/C)C 7a_100016990311_100012276601 [0,0,0,0,0,2|0,0,2]=4 709 B15R0.221 CC(=CCC/C(=C\COCCN(C)C)/C)C 7a_100016990311_100000755713 [0,0,0,0,0,2|2,0,0]=4 710 B15R0.221 CC(=CCC/C(=C\COCOC(C)C)/C)C 34a_100016990311_100000709892 [0,0,0,0,0,2|1,0,1]=4 711 B15R0.221 CC(=O)CCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000053229 [0,0,0,0,0,2|0,0,0]=2 712 B15R0.221 CC(=O)CCOC/C=C(\C)/CCC=C(C)C 34a_100000759926_100016991246 [0,0,0,0,0,2|0,0,0]=2 713 B15R0.221 CC(=O)CCOC/C=C(\C)/CCC=C(C)C 7a_100000759926_100016991246 [0,0,0,0,0,2|0,0,0]=2 714 B15R0.221 CC(=O)CCOCCC(C)CCC=C(C)C 34a_100000759926_100009814015 [0,0,0,0,0,2|0,0,2]=4 715 B15R0.221 CC(=O)CCOCCC(C)CCC=C(C)C 7a_100000017536_100000053229 [0,0,0,0,0,2|0,0,2]=4 716 B15R0.221 CC(=O)CCOCCC(C)CCC=C(C)C 7a_100000759926_100009814015 [0,0,0,0,0,2|0,0,2]=4 717 B15R0.221 CC(=O)CCSC/C=C(\C)/CCC=C(C)C 62a_100000053229_100016991246 [0,0,0,0,0,2|0,1,0]=3 718 B15R0.221 CC(=O)CCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000053229 [0,0,0,0,0,2|0,1,0]=3 719 B15R0.221 CC(=O)OCCCOC(C)CCC=C(C)C 34a_100102619829_100000042594 [0,0,0,0,0,2|0,0,2]=4 720 B15R0.221 CC(=O)OCCCOC(C)CCC=C(C)C 7a_100102619829_100000042594 [0,0,0,0,0,2|0,0,2]=4 721 B15R0.221 CC(=O)OCNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100009813279 [0,0,0,0,0,2|0,0,0]=2 722 B15R0.221 CC(=O)OCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100009813279 [0,0,0,0,0,2|0,0,0]=2 723 B15R0.221 CC(=O)OCOCCC(C)CCC=C(C)C 34a_100000017536_100009813279 [0,0,0,0,0,2|0,0,2]=4 724 B15R0.221 CC(=O)OCSC/C=C(\C)/CCC=C(C)C 62a_100000076356_100016991246 [0,0,0,0,0,2|0,0,0]=2 725 B15R0.221 CC(=O)OCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000076356 [0,0,0,0,0,2|0,0,0]=2 726 B15R0.221 CC(=O)OCSCCC(C)CCC=C(C)C 62a_100000076356_100009814015 [0,0,0,0,0,2|0,0,2]=4 727 B15R0.221 CC(=O)OCSCCC(C)CCC=C(C)C 62a_100009814015_100000076356 [0,0,0,0,0,2|0,0,2]=4