0 B10R0.3 C#CCC(=O)CCC=C(C)C 1458a_100011220946_100011217483 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.3 C#CCC(C)OCC=C(C)C 34a_100000685586_100000761012 [0,0,0,0,0,0|2,0,1]=3 2 B10R0.3 C#CCC(C)OCC=C(C)C 7a_100000685586_100000761012 [0,0,0,0,0,0|2,0,1]=3 3 B10R0.3 C#CCN(C)CCC=C(C)C 2230a_100000225692_100011217483 [0,0,0,0,0,0|2,0,1]=3 4 B10R0.3 C#CCN(C)CCC=C(C)C 34a_100000225692_100011217483 [0,0,0,0,0,0|2,0,1]=3 5 B10R0.3 C/C=C/C(C)OCC=C(C)C 34a_200102604097_100000761012 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.3 C=C(Br)CCOC(C)CCO 34a_100009813270_100009893172 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.3 C=C(C)CCNC(C)CCC 2230a_100000741246_100000730704 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.3 C=C(C)CCN[C@H](C)CCO 2230a_100000706166_100000730704 [0,0,0,0,0,0|1,0,2]=3 9 B10R0.3 C=C(C)CCN[C@H](C)CCO 34a_100000706166_100000730704 [0,0,0,0,0,0|1,0,2]=3 10 B10R0.3 C=C(C)CCOC(C)CCBr 34a_100012276601_100000730704 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764384_100000730704 [0,0,0,0,0,0|2,0,2]=4 12 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764851_100000766640 [0,0,0,0,0,0|2,0,2]=4 13 B10R0.3 C=C(C)CCOC(C)CCC 7a_100000764384_100000730704 [0,0,0,0,0,0|2,0,2]=4 14 B10R0.3 C=C(C)CCOC(C)CCO 34a_100000764851_100009893172 [0,0,0,0,0,0|1,0,2]=3 15 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000730704_100000766640 [0,0,0,0,0,0|2,0,2]=4 16 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000766640_100000730704 [0,0,0,0,0,0|2,0,2]=4 17 B10R0.3 C=C(C)CCSC(C)CCO 62a_100000730704_100009893172 [0,0,0,0,0,0|1,0,2]=3 18 B10R0.3 C=C(C)CCSC(C)CCO 62a_100009893172_100000730704 [0,0,0,0,0,0|1,0,2]=3 19 B10R0.3 C=C(C)COCC(C)CCC 34a_100000210245_100011216630 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.3 C=C(C)COCC(C)CCC 34a_100000688023_100000748629 [0,0,0,0,0,0|2,0,2]=4 21 B10R0.3 C=C(C)COCC(C)CCC 7a_100000688023_100000748629 [0,0,0,0,0,0|2,0,2]=4 22 B10R0.3 C=C(C)COCC(C)CCN 34a_106354213184_100000748629 [0,0,0,0,0,0|2,0,2]=4 23 B10R0.3 C=C(C)CSCC(C)CCC 62a_100000748629_100011216630 [0,0,0,0,0,0|2,0,2]=4 24 B10R0.3 C=C(C)CSCC(C)CCC 62a_100011216630_100000211660 [0,0,0,0,0,0|2,0,2]=4 25 B10R0.3 C=CCC(=O)CCC=C(C)C 1458a_100000210193_100011217483 [0,0,0,0,0,0|2,0,2]=4 26 B10R0.3 C=CCN(C)CCC=C(C)C 2230a_100000225617_100011217483 [0,0,0,0,0,0|2,0,1]=3 27 B10R0.3 C=CCN(C)CCC=C(C)C 269982a_100000225617_100011217483 [0,0,0,0,0,0|2,0,1]=3 28 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 34a_100000731007_100000761012 [0,0,0,0,0,0|2,0,1]=3 29 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 7a_100000731007_100000761012 [0,0,0,0,0,0|2,0,1]=3 30 B10R0.3 CC#CC(C)OCC=C(C)C 34a_100011216543_100000761012 [0,0,0,0,0,0|2,0,2]=4 31 B10R0.3 CC(=CCCC(=O)CC#N)C 1458a_100051588842_100011217483 [0,0,0,0,0,0|2,0,2]=4 32 B10R0.3 CC(=CCCC(=O)CCO)C 1458a_100011216618_100011217483 [0,0,0,0,0,0|1,0,1]=2 33 B10R0.3 CC(=CCCC(C)OCF)C 34a_100102619829_100015361967 [0,0,0,0,0,0|2,0,0]=2 34 B10R0.3 CC(=CCCC(C)OCF)C 7a_100102619829_100015361967 [0,0,0,0,0,0|2,0,0]=2 35 B10R0.3 CC(=CCCN(C)CC#N)C 2230a_100000748184_100011217483 [0,0,0,0,0,0|2,0,1]=3 36 B10R0.3 CC(=CCCN(C)CCO)C 2230a_100000210263_100011217483 [0,0,0,0,0,0|1,0,0]=1 37 B10R0.3 CC(=CCCN(C)CCO)C 269982a_100000210263_100011217483 [0,0,0,0,0,0|1,0,0]=1 38 B10R0.3 CC(=CCNC(C)CCO)C 34a_100000718196_100009893172 [0,0,0,0,0,0|1,0,0]=1 39 B10R0.3 CC(=CCN[C@@H](C)CC#N)C 2230a_100016994482_100000761012 [0,0,0,0,0,0|2,0,1]=3 40 B10R0.3 CC(=CCN[C@H](C)CCO)C 2230a_100000706166_100000761012 [0,0,0,0,0,0|1,0,0]=1 41 B10R0.3 CC(=CCN[C@H](C)CCO)C 34a_100000706166_100000761012 [0,0,0,0,0,0|1,0,0]=1 42 B10R0.3 CC(=CCOC(C)CCBr)C 34a_100012276601_100000761012 [0,0,0,0,0,0|2,0,0]=2 43 B10R0.3 CC(=CCOC(C)CCO)C 34a_100000753907_100009893172 [0,0,0,0,0,0|1,0,0]=1 44 B10R0.3 CC(=CCSC(C)CC#N)C 62a_100000761012_100009813641 [0,0,0,0,0,0|2,0,1]=3 45 B10R0.3 CC(=CCSC(C)CC#N)C 62a_100009813641_100000761012 [0,0,0,0,0,0|2,0,1]=3 46 B10R0.3 CC(=CCSC(C)CCO)C 62a_100000761012_100009893172 [0,0,0,0,0,0|1,0,0]=1 47 B10R0.3 CC(=CCSC(C)CCO)C 62a_100009893172_100000761012 [0,0,0,0,0,0|1,0,0]=1 48 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,0,0,0,0,0|2,0,2]=4 49 B10R0.3 CC(=O)CCCN(C)CCO 269982a_100000210263_100011215641 [0,0,0,0,0,0|2,0,1]=3 50 B10R0.3 CC(=O)CCOC(C)CCO 34a_100000759926_100009893172 [0,0,0,0,0,0|2,0,1]=3 51 B10R0.3 CC(=O)CCOC(C)CCO 7a_100000759926_100009893172 [0,0,0,0,0,0|2,0,1]=3 52 B10R0.3 CC(=O)CCSC(C)CCO 62a_100000053229_100009893172 [0,0,0,0,0,0|2,0,1]=3 53 B10R0.3 CC(=O)CCSC(C)CCO 62a_100009893172_100000053229 [0,0,0,0,0,0|2,0,1]=3 54 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100000183196_100000211926 [0,0,0,0,0,0|3,0,1]=4 55 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100011216618_100000189650 [0,0,0,0,0,0|3,0,1]=4 56 B10R0.3 CC(=O)NCCN(C)CCO 2230a_100000210263_100000189650 [0,0,0,0,0,0|3,0,0]=3 57 B10R0.3 CC(=O)NCCN(C)CCO 269982a_100000210263_100000189650 [0,0,0,0,0,0|3,0,0]=3 58 B10R0.3 CC(=O)OCCC(=O)CCO 1458a_100011216618_100009814007 [0,0,0,0,0,0|3,0,1]=4 59 B10R0.3 CC(=O)OCCN(C)CCO 269982a_100000210263_100009814007 [0,0,0,0,0,0|3,0,0]=3 60 B10R0.3 CC(=O)OCN[C@H](C)CCO 34a_100000706166_100009813279 [0,0,0,0,0,0|3,0,0]=3 61 B10R0.3 CC(=O)OCOC(C)CCBr 34a_100012276601_100009813279 [0,0,0,0,0,0|4,0,0]=4 62 B10R0.3 CC(=O)OCSC(C)CCO 62a_100000076356_100009893172 [0,0,0,0,0,0|3,0,0]=3 63 B10R0.3 CC(=O)OCSC(C)CCO 62a_100009893172_100000076356 [0,0,0,0,0,0|3,0,0]=3 64 B10R0.3 CC(=O)SCCC(=O)CCO 1458a_100000048949_100000211926 [0,0,0,0,0,0|3,0,1]=4 65 B10R0.3 CC(Br)CCOC(C)CCO 34a_100009893172_100009893172 [0,0,0,0,0,0|2,0,2]=4 66 B10R0.3 CC(C)/C=C/CC(=O)CCO 1458a_100016292215_100000211926 [0,0,0,0,0,0|1,0,3]=4 67 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [0,0,0,0,0,0|1,0,3]=4 68 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [0,0,0,0,0,0|1,0,3]=4 69 B10R0.3 CC(C)CCCC(C)OCF 34a_200011218570_100015361967 [0,0,0,0,0,0|2,0,2]=4 70 B10R0.3 CC(C)CCCC(C)OCF 7a_200011218570_100015361967 [0,0,0,0,0,0|2,0,2]=4 71 B10R0.3 CC(C)CCCN(C)CCO 2230a_100000210263_100011214892 [0,0,0,0,0,0|1,0,2]=3 72 B10R0.3 CC(C)CCCN(C)CCO 269982a_100000210263_100011214892 [0,0,0,0,0,0|1,0,2]=3 73 B10R0.3 CC(C)CCN[C@H](C)CCO 2230a_100000706166_100000210312 [0,0,0,0,0,0|1,0,2]=3 74 B10R0.3 CC(C)CCN[C@H](C)CCO 269862a_100000706166_100000185833 [0,0,0,0,0,0|1,0,2]=3 75 B10R0.3 CC(C)CCN[C@H](C)CCO 34a_100000706166_100000210312 [0,0,0,0,0,0|1,0,2]=3 76 B10R0.3 CC(C)CCOC(C)CCBr 34a_100012276601_100000210312 [0,0,0,0,0,0|2,0,2]=4 77 B10R0.3 CC(C)CCOC(C)CCO 34a_100000210254_100009893172 [0,0,0,0,0,0|1,0,2]=3 78 B10R0.3 CC(C)CCOC(C)CCO 7a_100000210254_100009893172 [0,0,0,0,0,0|1,0,2]=3 79 B10R0.3 CC(C)CCSC(C)CCO 62a_100000210312_100009893172 [0,0,0,0,0,0|1,0,2]=3 80 B10R0.3 CC(C)CCSC(C)CCO 62a_100009893172_100000210312 [0,0,0,0,0,0|1,0,2]=3 81 B10R0.3 CC(C)COCC(C)CCN 34a_106354213184_100000210624 [0,0,0,0,0,0|2,0,2]=4 82 B10R0.3 CC(C)OCCC(=O)CCO 1458a_100011216618_100000211751 [0,0,0,0,0,0|2,0,2]=4 83 B10R0.3 CC(C)OCCN(C)CCO 2230a_100000210263_100000211751 [0,0,0,0,0,0|2,0,1]=3 84 B10R0.3 CC(C)OCCN(C)CCO 269982a_100000210263_100000211751 [0,0,0,0,0,0|2,0,1]=3 85 B10R0.3 CC(C)OCN[C@H](C)CCO 2230a_100000706166_100000709892 [0,0,0,0,0,0|2,0,1]=3 86 B10R0.3 CC(C)OCN[C@H](C)CCO 34a_100000706166_100000709892 [0,0,0,0,0,0|2,0,1]=3 87 B10R0.3 CC(C)OCOC(C)CCBr 34a_100012276601_100000709892 [0,0,0,0,0,0|3,0,1]=4 88 B10R0.3 CC(C)OCSC(C)CCO 62a_100000709892_100009893172 [0,0,0,0,0,0|2,0,1]=3 89 B10R0.3 CC(C)OCSC(C)CCO 62a_100009893172_100000709892 [0,0,0,0,0,0|2,0,1]=3 90 B10R0.3 CC(C)SCCC(=O)CCO 1458a_100011216618_100000730970 [0,0,0,0,0,0|2,0,2]=4 91 B10R0.3 CC(C)SCCN(C)CCO 2230a_100000210263_100000730970 [0,0,0,0,0,0|2,0,1]=3 92 B10R0.3 CC(C)SCCN(C)CCO 269982a_100000210263_100000730970 [0,0,0,0,0,0|2,0,1]=3 93 B10R0.3 CC(CCO)OCCC(=O)N 34a_100000757172_100009893172 [0,0,0,0,0,0|3,0,1]=4 94 B10R0.3 CC(CCO)OCCC(=O)N 7a_100000757172_100009893172 [0,0,0,0,0,0|3,0,1]=4 95 B10R0.3 CC(CCO)OCC[C@@H](C)N 34a_100000706166_100009893172 [0,0,0,0,0,0|2,0,2]=4 96 B10R0.3 CC(CCO)SCCC(=O)N 62a_100000744528_100009893172 [0,0,0,0,0,0|3,0,1]=4 97 B10R0.3 CC(CCO)SCCC(=O)N 62a_100009893172_100000744528 [0,0,0,0,0,0|3,0,1]=4 98 B10R0.3 CC(CCO)SCCN(C)C 62a_100009893172_100000755713 [0,0,0,0,0,0|2,0,1]=3 99 B10R0.3 CC(O)CCCN(C)CCO 2230a_100000210263_200000718107 [0,0,0,0,0,0|2,0,2]=4 100 B10R0.3 CC(O)CCCN(C)CCO 269982a_100000210263_200000718107 [0,0,0,0,0,0|2,0,2]=4 101 B10R0.3 CC(O)CCNC(C)CCO 2230a_200000755665_100009893172 [0,0,0,0,0,0|2,0,2]=4 102 B10R0.3 CC(O)CCN[C@H](C)CCO 2230a_100000706166_100012276601 [0,0,0,0,0,0|2,0,2]=4 103 B10R0.3 CC(O)CCN[C@H](C)CCO 34a_100000706166_100012276601 [0,0,0,0,0,0|2,0,2]=4 104 B10R0.3 CC(O)CCSC(C)CCO 62a_100009893172_100012276601 [0,0,0,0,0,0|2,0,2]=4 105 B10R0.3 CC(O)CCSC(C)CCO 62a_100012276601_100009893172 [0,0,0,0,0,0|2,0,2]=4 106 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,0,0,0,0,0|2,0,1]=3 107 B10R0.3 CCCC(=O)NCC=C(C)C 11a_100000718196_100000211992 [0,0,0,0,0,0|3,0,1]=4 108 B10R0.3 CCCC(=O)NCC=C(C)C 1626a_100000718196_100000211992 [0,0,0,0,0,0|3,0,1]=4 109 B10R0.3 CCCC(=O)NCC=C(C)C 527a_100000718196_100000211992 [0,0,0,0,0,0|3,0,1]=4 110 B10R0.3 CCCC(C)CCOC(C)C 34a_100011217855_100000210206 [0,0,0,0,0,0|2,0,1]=3 111 B10R0.3 CCCC(C)CCOC(C)C 7a_100011217855_100000210206 [0,0,0,0,0,0|2,0,1]=3 112 B10R0.3 CCCC(C)CNCC(C)C 2230a_100000210953_100011216630 [0,0,0,0,0,0|2,0,2]=4 113 B10R0.3 CCCC(C)CNCC(C)C 270004a_100000210953_100000243154 [0,0,0,0,0,0|2,0,2]=4 114 B10R0.3 CCCC(C)CNCC(C)C 34a_100000210953_100011216630 [0,0,0,0,0,0|2,0,2]=4 115 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,0,0,0,0,0|3,0,1]=4 116 B10R0.3 CCCC(C)COCC(C)C 34a_100000210257_100011216630 [0,0,0,0,0,0|2,0,2]=4 117 B10R0.3 CCCC(C)COCC(C)C 34a_100000688023_100000210624 [0,0,0,0,0,0|2,0,2]=4 118 B10R0.3 CCCC(C)COCC(C)C 7a_100000688023_100000210760 [0,0,0,0,0,0|2,0,2]=4 119 B10R0.3 CCCC(C)CSCC(C)C 62a_100000210624_100011216630 [0,0,0,0,0,0|2,0,2]=4 120 B10R0.3 CCCC(C)CSCC(C)C 62a_100011216630_100000210760 [0,0,0,0,0,0|2,0,2]=4 121 B10R0.3 CCCC(C)NCC=C(C)C 2230a_100000741246_100000761012 [0,0,0,0,0,0|2,0,0]=2 122 B10R0.3 CCCC(C)NCC=C(C)C 270004a_100000718196_100000211909 [0,0,0,0,0,0|2,0,0]=2 123 B10R0.3 CCCC(C)NCC=C(C)C 34a_100000718196_100000766640 [0,0,0,0,0,0|2,0,0]=2 124 B10R0.3 CCCC(C)NCCC(C)C 2230a_100000741246_100000210312 [0,0,0,0,0,0|2,0,2]=4 125 B10R0.3 CCCC(C)NCCC(C)C 269862a_100000741246_100000185833 [0,0,0,0,0,0|2,0,2]=4 126 B10R0.3 CCCC(C)NCCC(C)C 270004a_100000210545_100000211909 [0,0,0,0,0,0|2,0,2]=4 127 B10R0.3 CCCC(C)NCCN(C)C 270004a_100000210585_100000211909 [0,0,0,0,0,0|3,0,1]=4 128 B10R0.3 CCCC(C)NCOC(C)C 2230a_100000741246_100000709892 [0,0,0,0,0,0|3,0,1]=4 129 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000753907_100000766640 [0,0,0,0,0,0|2,0,0]=2 130 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000764384_100000761012 [0,0,0,0,0,0|2,0,0]=2 131 B10R0.3 CCCC(C)OCC=C(C)C 7a_100000764384_100000761012 [0,0,0,0,0,0|2,0,0]=2 132 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,0,0,0,0,0|3,0,1]=4 133 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,0,0,0,0,0|3,0,1]=4 134 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,0,0,0,0,0|3,0,1]=4 135 B10R0.3 CCCC(C)OCCC(C)C 34a_100000210254_100000766640 [0,0,0,0,0,0|2,0,2]=4 136 B10R0.3 CCCC(C)OCCC(C)C 34a_100000764384_100000210312 [0,0,0,0,0,0|2,0,2]=4 137 B10R0.3 CCCC(C)OCCC(C)C 7a_100000210254_100000766640 [0,0,0,0,0,0|2,0,2]=4 138 B10R0.3 CCCC(C)OCCC(C)C 7a_100000764384_100000210626 [0,0,0,0,0,0|2,0,2]=4 139 B10R0.3 CCCC(C)OCCN(C)C 7a_100000764384_100000755713 [0,0,0,0,0,0|3,0,1]=4 140 B10R0.3 CCCC(C)OCOC(=O)C 34a_100000764384_100009813279 [0,0,0,0,0,0|4,0,0]=4 141 B10R0.3 CCCC(C)OCOC(C)C 34a_100000764384_100000709892 [0,0,0,0,0,0|3,0,1]=4 142 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000761012_100000766640 [0,0,0,0,0,0|2,0,0]=2 143 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000766640_100000761012 [0,0,0,0,0,0|2,0,0]=2 144 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,0,0,0,0,0|3,0,1]=4 145 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,0,0,0,0,0|3,0,1]=4 146 B10R0.3 CCCC(C)SCCC(C)C 62a_100000210312_100000766640 [0,0,0,0,0,0|2,0,2]=4 147 B10R0.3 CCCC(C)SCCC(C)C 62a_100000766640_100000210312 [0,0,0,0,0,0|2,0,2]=4 148 B10R0.3 CCCC(C)SCCN(C)C 62a_100000766640_100000755713 [0,0,0,0,0,0|3,0,1]=4 149 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000076356_100000766640 [0,0,0,0,0,0|4,0,0]=4 150 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000766640_100000076356 [0,0,0,0,0,0|4,0,0]=4 151 B10R0.3 CCCC(C)SCOC(C)C 62a_100000709892_100000766640 [0,0,0,0,0,0|3,0,1]=4 152 B10R0.3 CCCC(C)SCOC(C)C 62a_100000766640_100000709892 [0,0,0,0,0,0|3,0,1]=4 153 B10R0.3 CCCN(C)CCC=C(C)C 2230a_100000747261_100011217483 [0,0,0,0,0,0|2,0,0]=2 154 B10R0.3 CCCN(C)CCC=C(C)C 269982a_100000747261_100011217483 [0,0,0,0,0,0|2,0,0]=2 155 B10R0.3 CCCN(C)CCC=C(F)F 2230a_100000747261_200009816681 [0,0,0,0,0,0|4,0,0]=4 156 B10R0.3 CCCN(C)CCC=C(F)F 269982a_100000747261_200009816681 [0,0,0,0,0,0|4,0,0]=4 157 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,0,0,0,0,0|3,0,1]=4 158 B10R0.3 CCCN(C)CCCC(C)C 2230a_100000747261_100011214892 [0,0,0,0,0,0|2,0,2]=4 159 B10R0.3 CCCN(C)CCCC(C)C 269982a_100000747261_100011214892 [0,0,0,0,0,0|2,0,2]=4 160 B10R0.3 CCCN(C)CCCN(C)C 269982a_100000225831_100000210303 [0,0,0,0,0,0|3,0,1]=4 161 B10R0.3 CCCN(C)CCCN(C)C 269982a_100000717312_200000210301 [0,0,0,0,0,0|3,0,1]=4 162 B10R0.3 CCCN(C)CCCN(C)C 269982a_100000747261_100000757444 [0,0,0,0,0,0|3,0,1]=4 163 B10R0.3 CCCN(C)CCNC(=O)C 2230a_100000747261_100000189650 [0,0,0,0,0,0|4,0,0]=4 164 B10R0.3 CCCN(C)CCNC(=O)C 269982a_100000747261_100000189650 [0,0,0,0,0,0|4,0,0]=4 165 B10R0.3 CCCN(C)CCOC(=O)C 269982a_100000747261_100009814007 [0,0,0,0,0,0|4,0,0]=4 166 B10R0.3 CCCN(C)CCOC(C)C 2230a_100000747261_100000211751 [0,0,0,0,0,0|3,0,1]=4 167 B10R0.3 CCCN(C)CCOC(C)C 269982a_100000747261_100000211751 [0,0,0,0,0,0|3,0,1]=4 168 B10R0.3 CCCN(C)CCSC(C)C 2230a_100000747261_100000730970 [0,0,0,0,0,0|3,0,1]=4 169 B10R0.3 CCCN(C)CCSC(C)C 269982a_100000747261_100000730970 [0,0,0,0,0,0|3,0,1]=4 170 B10R0.3 CCCN([13CH3])CCCN(C)C 269982a_100000717312_200025704644 [0,0,0,0,0,0|3,0,1]=4 171 B10R0.3 CCC[C@H](N)CCOC(C)C 34a_100015193777_100000210206 [0,0,0,0,0,0|3,0,1]=4 172 B10R0.3 CCNC(C)CCC=C(C)C 270004a_100015525214_100000765506 [0,0,0,0,0,0|2,0,0]=2 173 B10R0.3 CCNC(C)CCCC(C)C 2230a_100000210607_100000210202 [0,0,0,0,0,0|2,0,2]=4 174 B10R0.3 CCNC(C)CCCC(C)C 270004a_100015525214_100000753411 [0,0,0,0,0,0|2,0,2]=4 175 B10R0.3 CCNC(C)CCOC(C)C 270004a_100015525214_200011219172 [0,0,0,0,0,0|3,0,1]=4 176 B10R0.3 CCOC(C)CCC=C(C)C 34a_100102619829_100000210202 [0,0,0,0,0,0|2,0,0]=2 177 B10R0.3 CCOC(C)CCC=C(C)C 7a_100102619829_100000210202 [0,0,0,0,0,0|2,0,0]=2 178 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [0,0,0,0,0,0|2,0,2]=4 179 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [0,0,0,0,0,0|2,0,2]=4 180 B10R0.3 CN(C)CCCC(=O)CCO 1458a_100011216618_100000695564 [0,0,0,0,0,0|2,0,2]=4 181 B10R0.3 CN(C)CCCN(C)CCF 269982a_100000225831_100011217306 [0,0,0,0,0,0|3,0,1]=4 182 B10R0.3 CN(C)CCCN(C)CCO 269982a_100000210263_100000757444 [0,0,0,0,0,0|2,0,1]=3 183 B10R0.3 CN(C)CCCN(C)CCO 269982a_100000225831_100000211926 [0,0,0,0,0,0|2,0,1]=3 184 B10R0.3 CN(CCO)CCC=C(F)F 2230a_100000210263_200009816681 [0,0,0,0,0,0|3,0,0]=3 185 B10R0.3 CN(CCO)CCC=C(F)F 269982a_100000210263_200009816681 [0,0,0,0,0,0|3,0,0]=3 186 B10R0.3 CN(CCO)CCCC(=O)N 269982a_100000210263_100102525003 [0,0,0,0,0,0|3,0,1]=4 187 B10R0.3 CN(CCO)CCCC(=O)O 269956a_100000719178_100000211926 [0,0,0,0,0,0|3,0,1]=4 188 B10R0.3 CN(CCO)CCNC(=O)N 2230a_100000210263_200000034859 [0,0,0,0,0,0|4,0,0]=4 189 B10R0.3 CN(CCO)CCNC(=O)N 269982a_100000210263_200000034859 [0,0,0,0,0,0|4,0,0]=4 190 B10R0.3 CN(CCO)CCOC(=O)N 269982a_100000210263_200011214921 [0,0,0,0,0,0|4,0,0]=4 191 B10R0.3 CNCC(C)CCC=C(C)C 270004a_106832991635_100000033009 [0,0,0,0,0,0|2,0,0]=2 192 B10R0.3 COCC(=O)CCC=C(C)C 1458a_100000210968_100011217483 [0,0,0,0,0,0|3,0,1]=4 193 B10R0.3 COCC(C)NCC=C(C)C 270004a_100000718196_100000749346 [0,0,0,0,0,0|3,0,0]=3 194 B10R0.3 COCC(C)NCC=C(C)C 34a_100000718196_100000765312 [0,0,0,0,0,0|3,0,0]=3 195 B10R0.3 COCC(C)OCC=C(C)C 34a_100000753907_100000765312 [0,0,0,0,0,0|3,0,0]=3 196 B10R0.3 COCC(C)SCC=C(C)C 62a_100000761012_100000765312 [0,0,0,0,0,0|3,0,0]=3 197 B10R0.3 COCC(C)SCC=C(C)C 62a_100000765312_100000761012 [0,0,0,0,0,0|3,0,0]=3 198 B10R0.3 COC[C@@H](C)NCC=C(C)C 2230a_100000764878_100000761012 [0,0,0,0,0,0|3,0,0]=3 199 B10R0.3 COC[C@@H](C)OCC=C(C)C 34a_100011934205_100000761012 [0,0,0,0,0,0|3,0,0]=3 200 B10R0.3 CSCC(=O)CCC=C(C)C 1458a_100000184570_100011217483 [0,0,0,0,0,0|3,0,1]=4 201 B10R0.3 CSCC(C)NCC=C(C)C 270004a_100000718196_100011216314 [0,0,0,0,0,0|3,0,0]=3 202 B10R0.3 C[C@H](CCO)NCCC(=O)N 2230a_100000706166_100000744528 [0,0,0,0,0,0|3,0,1]=4 203 B10R0.3 C[C@H](CCO)NCCC(=O)N 34a_100000706166_100000731001 [0,0,0,0,0,0|3,0,1]=4 204 B10R0.3 O=C(CCO)CCC=C(F)F 1458a_100011216618_200009816681 [0,0,0,0,0,0|3,0,1]=4 205 B9R0.1 C#CC(C)NCC=C(C)C 2230a_100000707721_100000761012 [1,0,0,0,0,0|1,0,2]=4 206 B9R0.1 C#CC(C)NCC=C(C)C 34a_100000707721_100000761012 [1,0,0,0,0,0|1,0,2]=4 207 B9R0.1 C#CC(C)NCC=C(C)C 34a_100000718196_200000035995 [1,0,0,0,0,0|1,0,2]=4 208 B9R0.1 C#CC(C)OCC=C(C)C 34a_100000753907_200000035995 [1,0,0,0,0,0|1,0,2]=4 209 B9R0.1 C#CC(C)SCC=C(C)C 62a_200000035995_100000761012 [1,0,0,0,0,0|1,0,2]=4 210 B9R0.1 C#C[C@@H](C)OCC=C(C)C 34a_100009815206_100000761012 [1,0,0,0,0,0|1,0,2]=4 211 B9R0.1 C#C[C@@H](C)OCC=C(C)C 7a_100009815206_100000761012 [1,0,0,0,0,0|1,0,2]=4 212 B9R0.1 C=C(C)C=NNC(C)CC 4a_100000718999_100000210575 [1,0,0,0,0,0|2,0,1]=4 213 B9R0.1 C=C(C)CCNC(C)CC 2230a_100000209981_100000730704 [1,0,0,0,0,0|1,0,2]=4 214 B9R0.1 C=C(C)CCN[C@H](C)CO 2230a_100000737577_100000730704 [1,0,0,0,0,0|1,0,2]=4 215 B9R0.1 C=C(C)CCOC(C)CC 34a_100000764851_100011215416 [1,0,0,0,0,0|1,0,2]=4 216 B9R0.1 C=C(C)CCOC(C)CC 7a_100000210228_100000730704 [1,0,0,0,0,0|1,0,2]=4 217 B9R0.1 C=C(C)CCOC(C)CO 34a_100000764851_100012180447 [1,0,0,0,0,0|1,0,2]=4 218 B9R0.1 C=C(C)CCSC(C)CC 62a_100000730704_100000758301 [1,0,0,0,0,0|1,0,2]=4 219 B9R0.1 C=C(C)CCSC(C)CC 62a_100000758301_100000730704 [1,0,0,0,0,0|1,0,2]=4 220 B9R0.1 C=C(C)CCSC(C)CO 62a_100012180447_100000730704 [1,0,0,0,0,0|1,0,2]=4 221 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100000730704_100016084084 [1,0,0,0,0,0|1,0,2]=4 222 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100016084084_100000730704 [1,0,0,0,0,0|1,0,2]=4 223 B9R0.1 C=C(C)CNCC(C)CC 2230a_100020588543_100000748629 [1,0,0,0,0,0|1,0,2]=4 224 B9R0.1 C=C(C)CNCC(C)CO 34a_100000744482_100000748629 [1,0,0,0,0,0|1,0,2]=4 225 B9R0.1 C=C(C)COCC(C)CC 34a_100000210245_100000748023 [1,0,0,0,0,0|1,0,2]=4 226 B9R0.1 C=C(C)COC[C@@H](C)CC 34a_100000210245_100009816398 [1,0,0,0,0,0|1,0,2]=4 227 B9R0.1 C=C(C)COC[C@@H](C)CC 7a_100009816381_100000748629 [1,0,0,0,0,0|1,0,2]=4 228 B9R0.1 C=C(C)COC[C@@H](C)CO 34a_100000210245_100000059175 [1,0,0,0,0,0|1,0,2]=4 229 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748023_100000211660 [1,0,0,0,0,0|1,0,2]=4 230 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748629_100000748023 [1,0,0,0,0,0|1,0,2]=4 231 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100000748629_100009816398 [1,0,0,0,0,0|1,0,2]=4 232 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100009816398_100000211660 [1,0,0,0,0,0|1,0,2]=4 233 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000059175_100000211660 [1,0,0,0,0,0|1,0,2]=4 234 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000748629_100000059175 [1,0,0,0,0,0|1,0,2]=4 235 B9R0.1 C=CC(C)OCC=C(C)C 34a_100000695699_100000761012 [1,0,0,0,0,0|1,0,2]=4 236 B9R0.1 C=CC(C)SCC=C(C)C 62a_100011215867_100000761012 [1,0,0,0,0,0|1,0,2]=4 237 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [1,0,0,0,0,0|1,0,1]=3 238 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [1,0,0,0,0,0|1,0,0]=2 239 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [1,0,0,0,0,0|1,0,0]=2 240 B9R0.1 CC(=CCNC(=O)CO)C 527a_100000718196_100000210174 [1,0,0,0,0,0|2,0,1]=4 241 B9R0.1 CC(=CCNC(C)C#N)C 2230a_100000737613_100000761012 [1,0,0,0,0,0|2,0,1]=4 242 B9R0.1 CC(=CCNC(C)CO)C 34a_100000718196_100012180447 [1,0,0,0,0,0|1,0,0]=2 243 B9R0.1 CC(=CCN[C@H](C)CO)C 2230a_100000737577_100000761012 [1,0,0,0,0,0|1,0,0]=2 244 B9R0.1 CC(=CCOC(C)C#N)C 34a_100011218135_100000761012 [1,0,0,0,0,0|2,0,1]=4 245 B9R0.1 CC(=CCOC(C)CF)C 34a_100016041109_100000761012 [1,0,0,0,0,0|2,0,0]=3 246 B9R0.1 CC(=CCOC(C)CF)C 7a_100016041109_100000761012 [1,0,0,0,0,0|2,0,0]=3 247 B9R0.1 CC(=CCOC(C)CN)C 34a_100000210904_100000761012 [1,0,0,0,0,0|2,0,0]=3 248 B9R0.1 CC(=CCOC(C)CO)C 34a_100000753907_100012180447 [1,0,0,0,0,0|1,0,0]=2 249 B9R0.1 CC(=CCSC(C)C#N)C 62a_100000703298_100000761012 [1,0,0,0,0,0|2,0,1]=4 250 B9R0.1 CC(=CCSC(C)C#N)C 62a_100000761012_100000703298 [1,0,0,0,0,0|2,0,1]=4 251 B9R0.1 CC(=CCSC(C)CO)C 62a_100012180447_100000761012 [1,0,0,0,0,0|1,0,0]=2 252 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100000761012_100016084084 [1,0,0,0,0,0|1,0,0]=2 253 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100016084084_100000761012 [1,0,0,0,0,0|1,0,0]=2 254 B9R0.1 CC(=O)CCOC(C)CO 34a_100000759926_100012180447 [1,0,0,0,0,0|2,0,1]=4 255 B9R0.1 CC(=O)CCOC(C)CO 7a_100000759926_100012180447 [1,0,0,0,0,0|2,0,1]=4 256 B9R0.1 CC(=O)CCSC(C)CO 62a_100012180447_100000053229 [1,0,0,0,0,0|2,0,1]=4 257 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100000053229_100016084084 [1,0,0,0,0,0|2,0,1]=4 258 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100016084084_100000053229 [1,0,0,0,0,0|2,0,1]=4 259 B9R0.1 CC(=O)COC[C@@H](C)CO 34a_100000211253_100000059175 [1,0,0,0,0,0|2,0,1]=4 260 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [1,0,0,0,0,0|2,0,0]=3 261 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [1,0,0,0,0,0|2,0,0]=3 262 B9R0.1 CC(=O)OCSC(C)CO 62a_100012180447_100000076356 [1,0,0,0,0,0|3,0,0]=4 263 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100000076356_100016084084 [1,0,0,0,0,0|3,0,0]=4 264 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100016084084_100000076356 [1,0,0,0,0,0|3,0,0]=4 265 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [1,0,0,0,0,0|1,0,2]=4 266 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [1,0,0,0,0,0|1,0,2]=4 267 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [1,0,0,0,0,0|1,0,2]=4 268 B9R0.1 CC(C)CCN[C@H](C)CO 2230a_100000737577_100000210312 [1,0,0,0,0,0|1,0,2]=4 269 B9R0.1 CC(C)CCN[C@H](C)CO 269862a_100000737577_100000185833 [1,0,0,0,0,0|1,0,2]=4 270 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [1,0,0,0,0,0|1,0,2]=4 271 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [1,0,0,0,0,0|1,0,2]=4 272 B9R0.1 CC(C)CCSC(C)CO 62a_100012180447_100000210312 [1,0,0,0,0,0|1,0,2]=4 273 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100000210312_100016084084 [1,0,0,0,0,0|1,0,2]=4 274 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100016084084_100000210312 [1,0,0,0,0,0|1,0,2]=4 275 B9R0.1 CC(C)CNCC(C)CO 34a_100000744482_100000210624 [1,0,0,0,0,0|1,0,2]=4 276 B9R0.1 CC(C)CNC[C@@H](C)CO 2230a_100000210953_100000059175 [1,0,0,0,0,0|1,0,2]=4 277 B9R0.1 CC(C)CNC[C@@H](C)CO 34a_100000210953_100000059175 [1,0,0,0,0,0|1,0,2]=4 278 B9R0.1 CC(C)COC[C@@H](C)CO 34a_100000210257_100000059175 [1,0,0,0,0,0|1,0,2]=4 279 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000059175_100000210760 [1,0,0,0,0,0|1,0,2]=4 280 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000210624_100000059175 [1,0,0,0,0,0|1,0,2]=4 281 B9R0.1 CC(C)OCN[C@H](C)CO 2230a_100000737577_100000709892 [1,0,0,0,0,0|2,0,1]=4 282 B9R0.1 CC(C)OCSC(C)CO 62a_100012180447_100000709892 [1,0,0,0,0,0|2,0,1]=4 283 B9R0.1 CC(C)OCS[C@H](C)CO 62a_100000709892_100016084084 [1,0,0,0,0,0|2,0,1]=4 284 B9R0.1 CC(C)OCS[C@H](C)CO 62a_100016084084_100000709892 [1,0,0,0,0,0|2,0,1]=4 285 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [1,0,0,0,0,0|1,0,1]=3 286 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [1,0,0,0,0,0|1,0,1]=3 287 B9R0.1 CC(CO)SCCN(C)C 62a_100012180447_100000755713 [1,0,0,0,0,0|2,0,1]=4 288 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [1,0,0,0,0,0|1,0,1]=3 289 B9R0.1 CCC(=O)NCC=C(C)C 11a_100000718196_100000210414 [1,0,0,0,0,0|2,0,1]=4 290 B9R0.1 CCC(=O)NCC=C(C)C 1626a_100000718196_100000210414 [1,0,0,0,0,0|2,0,1]=4 291 B9R0.1 CCC(=O)NCC=C(C)C 527a_100000718196_100000210414 [1,0,0,0,0,0|2,0,1]=4 292 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [1,0,0,0,0,0|2,0,0]=3 293 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [1,0,0,0,0,0|2,0,0]=3 294 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [1,0,0,0,0,0|2,0,0]=3 295 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [1,0,0,0,0,0|2,0,0]=3 296 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [1,0,0,0,0,0|1,0,1]=3 297 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [1,0,0,0,0,0|1,0,1]=3 298 B9R0.1 CCC(C)CNCC(C)C 2230a_100000210953_100000748023 [1,0,0,0,0,0|1,0,2]=4 299 B9R0.1 CCC(C)CNCC(C)C 2230a_100020588543_100000210760 [1,0,0,0,0,0|1,0,2]=4 300 B9R0.1 CCC(C)CNCC(C)C 270004a_100000210953_100000243153 [1,0,0,0,0,0|1,0,2]=4 301 B9R0.1 CCC(C)CNCC(C)C 270004a_100020588543_100000210432 [1,0,0,0,0,0|1,0,2]=4 302 B9R0.1 CCC(C)CNCC(C)C 34a_100000210953_100000748023 [1,0,0,0,0,0|1,0,2]=4 303 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [1,0,0,0,0,0|2,0,1]=4 304 B9R0.1 CCC(C)COCC(C)C 34a_100000210257_100000748023 [1,0,0,0,0,0|1,0,2]=4 305 B9R0.1 CCC(C)CSCC(C)C 62a_100000210624_100000748023 [1,0,0,0,0,0|1,0,2]=4 306 B9R0.1 CCC(C)CSCC(C)C 62a_100000748023_100000210760 [1,0,0,0,0,0|1,0,2]=4 307 B9R0.1 CCC(C)NCC=C(C)C 2230a_100000209981_100000761012 [1,0,0,0,0,0|1,0,0]=2 308 B9R0.1 CCC(C)NCC=C(C)C 34a_100000718196_100011215416 [1,0,0,0,0,0|1,0,0]=2 309 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [1,0,0,0,0,0|1,0,2]=4 310 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [1,0,0,0,0,0|1,0,2]=4 311 B9R0.1 CCC(C)NCOC(C)C 2230a_100000209981_100000709892 [1,0,0,0,0,0|2,0,1]=4 312 B9R0.1 CCC(C)NN=CC(C)C 4a_100000718999_100000210432 [1,0,0,0,0,0|2,0,1]=4 313 B9R0.1 CCC(C)OCC=C(C)C 34a_100000753907_100011215416 [1,0,0,0,0,0|1,0,0]=2 314 B9R0.1 CCC(C)OCC=C(C)C 7a_100000210228_100000761012 [1,0,0,0,0,0|1,0,0]=2 315 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [1,0,0,0,0,0|2,0,1]=4 316 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [1,0,0,0,0,0|2,0,1]=4 317 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [1,0,0,0,0,0|2,0,1]=4 318 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [1,0,0,0,0,0|1,0,2]=4 319 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [1,0,0,0,0,0|1,0,2]=4 320 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [1,0,0,0,0,0|1,0,2]=4 321 B9R0.1 CCC(C)OCCN(C)C 7a_100000210228_100000755713 [1,0,0,0,0,0|2,0,1]=4 322 B9R0.1 CCC(C)SCC=C(C)C 62a_100000758301_100000761012 [1,0,0,0,0,0|1,0,0]=2 323 B9R0.1 CCC(C)SCC=C(C)C 62a_100000761012_100000758301 [1,0,0,0,0,0|1,0,0]=2 324 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [1,0,0,0,0,0|2,0,1]=4 325 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [1,0,0,0,0,0|2,0,1]=4 326 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [1,0,0,0,0,0|1,0,2]=4 327 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [1,0,0,0,0,0|1,0,2]=4 328 B9R0.1 CCC(C)SCCN(C)C 62a_100000758301_100000755713 [1,0,0,0,0,0|2,0,1]=4 329 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [1,0,0,0,0,0|3,0,0]=4 330 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [1,0,0,0,0,0|3,0,0]=4 331 B9R0.1 CCC(C)SCOC(C)C 62a_100000709892_100000758301 [1,0,0,0,0,0|2,0,1]=4 332 B9R0.1 CCC(C)SCOC(C)C 62a_100000758301_100000709892 [1,0,0,0,0,0|2,0,1]=4 333 B9R0.1 CCN(C)CCC=C(C)C 2230a_100000225621_100011217483 [1,0,0,0,0,0|1,0,0]=2 334 B9R0.1 CCN(C)CCC=C(C)C 269982a_100000225621_100011217483 [1,0,0,0,0,0|1,0,0]=2 335 B9R0.1 CCN(C)CCC=C(F)F 2230a_100000225621_200009816681 [1,0,0,0,0,0|3,0,0]=4 336 B9R0.1 CCN(C)CCC=C(F)F 269982a_100000225621_200009816681 [1,0,0,0,0,0|3,0,0]=4 337 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [1,0,0,0,0,0|2,0,1]=4 338 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [1,0,0,0,0,0|2,0,1]=4 339 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [1,0,0,0,0,0|1,0,2]=4 340 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [1,0,0,0,0,0|1,0,2]=4 341 B9R0.1 CCN(C)CCCN(C)C 2230a_100102631434_100015186262 [1,0,0,0,0,0|2,0,1]=4 342 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225621_100000757444 [1,0,0,0,0,0|2,0,1]=4 343 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225831_100000204670 [1,0,0,0,0,0|2,0,1]=4 344 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225837_200000210301 [1,0,0,0,0,0|2,0,1]=4 345 B9R0.1 CCN(C)CCCN(C)C 269982a_100102631434_100015186262 [1,0,0,0,0,0|2,0,1]=4 346 B9R0.1 CCN(C)CCNC(=O)C 2230a_100000225621_100000189650 [1,0,0,0,0,0|3,0,0]=4 347 B9R0.1 CCN(C)CCNC(=O)C 269982a_100000225621_100000189650 [1,0,0,0,0,0|3,0,0]=4 348 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [1,0,0,0,0,0|3,0,0]=4 349 B9R0.1 CCN(C)CCOC(C)C 2230a_100000225621_100000211751 [1,0,0,0,0,0|2,0,1]=4 350 B9R0.1 CCN(C)CCOC(C)C 269982a_100000225621_100000211751 [1,0,0,0,0,0|2,0,1]=4 351 B9R0.1 CCN(C)CCSC(C)C 2230a_100000225621_100000730970 [1,0,0,0,0,0|2,0,1]=4 352 B9R0.1 CCN(C)CCSC(C)C 269982a_100000225621_100000730970 [1,0,0,0,0,0|2,0,1]=4 353 B9R0.1 CCN([13CH3])CCCN(C)C 269982a_100000225837_200025704644 [1,0,0,0,0,0|2,0,1]=4 354 B9R0.1 CC[C@H](C)CNCC(C)C 2230a_100000210953_100009816398 [1,0,0,0,0,0|1,0,2]=4 355 B9R0.1 CC[C@H](C)CNCC(C)C 34a_100000210953_100009816398 [1,0,0,0,0,0|1,0,2]=4 356 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [1,0,0,0,0,0|2,0,1]=4 357 B9R0.1 CC[C@H](C)COCC(C)C 34a_100000210257_100009816398 [1,0,0,0,0,0|1,0,2]=4 358 B9R0.1 CC[C@H](C)COCC(C)C 7a_100009816381_100000210760 [1,0,0,0,0,0|1,0,2]=4 359 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100000210624_100009816398 [1,0,0,0,0,0|1,0,2]=4 360 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100009816398_100000210760 [1,0,0,0,0,0|1,0,2]=4 361 B9R0.1 CNC(C)CCC=C(C)C 270004a_106832991635_100000765506 [1,0,0,0,0,0|1,0,0]=2 362 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [1,0,0,0,0,0|1,0,2]=4 363 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [1,0,0,0,0,0|1,0,2]=4 364 B9R0.1 CNC(C)CCOC(C)C 270004a_106832991635_200011219172 [1,0,0,0,0,0|2,0,1]=4 365 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [1,0,0,0,0,0|1,0,0]=2 366 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [1,0,0,0,0,0|1,0,0]=2 367 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [1,0,0,0,0,0|1,0,2]=4 368 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [1,0,0,0,0,0|1,0,2]=4 369 B9R0.1 COC(C)CCOC(C)C 7a_100000764861_100000210206 [1,0,0,0,0,0|2,0,1]=4 370 B9R0.1 COC(C)SCC=C(C)C 62a_100000761012_100009879195 [1,0,0,0,0,0|2,0,0]=3 371 B9R0.1 COC(C)SCC=C(C)C 62a_100009879195_100000761012 [1,0,0,0,0,0|2,0,0]=3 372 B9R0.1 C[C@H](CO)SCCN(C)C 62a_100016084084_100000755713 [1,0,0,0,0,0|2,0,1]=4 373 B9R0.2 C#CCCNCC=C(C)C 34a_100000718196_100000688953 [1,0,0,0,0,0|2,0,1]=4 374 B9R0.2 C#CCCNCC=C(C)C 34a_100000755551_100000761012 [1,0,0,0,0,0|2,0,1]=4 375 B9R0.2 C#CCCOCC=C(C)C 34a_100000753907_100000688953 [1,0,0,0,0,0|2,0,1]=4 376 B9R0.2 C#CCCOCC=C(C)C 34a_100011215631_100000761012 [1,0,0,0,0,0|2,0,1]=4 377 B9R0.2 C#CCCSCC=C(C)C 62a_100000688953_100000761012 [1,0,0,0,0,0|2,0,1]=4 378 B9R0.2 C#CCCSCC=C(C)C 62a_100000761012_100000688953 [1,0,0,0,0,0|2,0,1]=4 379 B9R0.2 C#CCNCCC=C(C)C 34a_100000212058_100011217483 [1,0,0,0,0,0|2,0,1]=4 380 B9R0.2 C#CCOCCC=C(C)C 34a_100000210247_100011217483 [1,0,0,0,0,0|2,0,1]=4 381 B9R0.2 C#CCSCCC=C(C)C 62a_100000038162_100011217483 [1,0,0,0,0,0|2,0,1]=4 382 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [1,0,0,0,0,0|1,0,2]=4 383 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [1,0,0,0,0,0|1,0,2]=4 384 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [1,0,0,0,0,0|1,0,2]=4 385 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [1,0,0,0,0,0|1,0,2]=4 386 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [1,0,0,0,0,0|1,0,2]=4 387 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [1,0,0,0,0,0|1,0,2]=4 388 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [1,0,0,0,0,0|1,0,2]=4 389 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [1,0,0,0,0,0|1,0,2]=4 390 B9R0.2 C=CCCNCC=C(C)C 2230a_100015191253_100000761012 [1,0,0,0,0,0|2,0,1]=4 391 B9R0.2 C=CCCNCC=C(C)C 34a_100000718196_100000754431 [1,0,0,0,0,0|2,0,1]=4 392 B9R0.2 C=CCCOCC=C(C)C 34a_100000753907_100000754431 [1,0,0,0,0,0|2,0,1]=4 393 B9R0.2 C=CCCOCC=C(C)C 34a_100011205117_100000761012 [1,0,0,0,0,0|2,0,1]=4 394 B9R0.2 C=CCCSCC=C(C)C 62a_100000754431_100000761012 [1,0,0,0,0,0|2,0,1]=4 395 B9R0.2 C=CCCSCC=C(C)C 62a_100000761012_100000754431 [1,0,0,0,0,0|2,0,1]=4 396 B9R0.2 C=CCNCCC=C(C)C 2230a_100020586998_100011217483 [1,0,0,0,0,0|2,0,1]=4 397 B9R0.2 C=CCOCCC=C(C)C 34a_200000210373_100011217483 [1,0,0,0,0,0|2,0,1]=4 398 B9R0.2 C=CCSCCC=C(C)C 62a_100000210623_100011217483 [1,0,0,0,0,0|2,0,1]=4 399 B9R0.2 C=CCSCCC=C(C)C 62a_100011217483_100000210623 [1,0,0,0,0,0|2,0,1]=4 400 B9R0.2 CC(=CC=NNCCO)C 4a_100000210001_100011215525 [1,0,0,0,0,0|2,0,1]=4 401 B9R0.2 CC(=CCCNCCF)C 34a_100000724931_100011217483 [1,0,0,0,0,0|2,0,0]=3 402 B9R0.2 CC(=CCCNCCO)C 2230a_100016997473_100011217483 [1,0,0,0,0,0|1,0,0]=2 403 B9R0.2 CC(=CCCNCCO)C 34a_100016990907_100011217483 [1,0,0,0,0,0|1,0,0]=2 404 B9R0.2 CC(=CCCOCCBr)C 34a_100000211926_100011217483 [1,0,0,0,0,0|2,0,0]=3 405 B9R0.2 CC(=CCCOCCN)C 34a_100000210304_100011217483 [1,0,0,0,0,0|2,0,0]=3 406 B9R0.2 CC(=CCCSCC#N)C 62a_100011215382_100011217483 [1,0,0,0,0,0|2,0,1]=4 407 B9R0.2 CC(=CCCSCC#N)C 62a_100011217483_100011215382 [1,0,0,0,0,0|2,0,1]=4 408 B9R0.2 CC(=CCCSCC=O)C 62a_100011217483_200015260668 [1,0,0,0,0,0|1,0,2]=4 409 B9R0.2 CC(=CCCSCC=O)C 62a_200015260668_100011217483 [1,0,0,0,0,0|1,0,2]=4 410 B9R0.2 CC(=CCCSCCF)C 62a_100011217306_100011217483 [1,0,0,0,0,0|2,0,0]=3 411 B9R0.2 CC(=CCCSCCF)C 62a_100011217483_100011217306 [1,0,0,0,0,0|2,0,0]=3 412 B9R0.2 CC(=CCCSCCO)C 62a_100000211926_100011217483 [1,0,0,0,0,0|1,0,0]=2 413 B9R0.2 CC(=CCCSCCO)C 62a_100011217483_100000211926 [1,0,0,0,0,0|1,0,0]=2 414 B9R0.2 CC(=CCNCCCF)C 2230a_100015189416_100000761012 [1,0,0,0,0,0|2,0,0]=3 415 B9R0.2 CC(=CCNCCCF)C 34a_100000718196_100011934791 [1,0,0,0,0,0|2,0,0]=3 416 B9R0.2 CC(=CCNCCCF)C 34a_100015189416_100000761012 [1,0,0,0,0,0|2,0,0]=3 417 B9R0.2 CC(=CCNCCCO)C 34a_100000718196_100000230001 [1,0,0,0,0,0|1,0,0]=2 418 B9R0.2 CC(=CCOCCCBr)C 34a_100011217188_100000761012 [1,0,0,0,0,0|2,0,0]=3 419 B9R0.2 CC(=CCOCCCCl)C 34a_100000230001_100000761012 [1,0,0,0,0,0|2,0,0]=3 420 B9R0.2 CC(=CCOCCCF)C 34a_100000753907_100011934791 [1,0,0,0,0,0|2,0,0]=3 421 B9R0.2 CC(=CCOCCCF)C 34a_100000759539_100000761012 [1,0,0,0,0,0|2,0,0]=3 422 B9R0.2 CC(=CCOCCCN)C 34a_100000182051_100000761012 [1,0,0,0,0,0|2,0,0]=3 423 B9R0.2 CC(=CCOCCCO)C 34a_100000753907_100000230001 [1,0,0,0,0,0|1,0,0]=2 424 B9R0.2 CC(=CCOCCON)C 34a_100000700252_100000761012 [1,0,0,0,0,0|3,0,0]=4 425 B9R0.2 CC(=CCSCCC#N)C 62a_100000761012_100011215226 [1,0,0,0,0,0|2,0,1]=4 426 B9R0.2 CC(=CCSCCC#N)C 62a_100011215226_100000761012 [1,0,0,0,0,0|2,0,1]=4 427 B9R0.2 CC(=CCSCCCF)C 62a_100000761012_100011934791 [1,0,0,0,0,0|2,0,0]=3 428 B9R0.2 CC(=CCSCCCF)C 62a_100011934791_100000761012 [1,0,0,0,0,0|2,0,0]=3 429 B9R0.2 CC(=CCSCCCO)C 62a_100000761012_100011215043 [1,0,0,0,0,0|1,0,0]=2 430 B9R0.2 CC(=CCSCCCO)C 62a_100011215043_100000761012 [1,0,0,0,0,0|1,0,0]=2 431 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,0,0,0,0,0|2,0,1]=4 432 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,0,0,0,0,0|1,0,1]=3 433 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,0,0,0,0,0|1,0,1]=3 434 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,0,0,0,0,0|2,0,1]=4 435 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,0,0,0,0,0|2,0,1]=4 436 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,0,0,0,0,0|2,0,1]=4 437 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,0,0,0,0,0|2,0,1]=4 438 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,0,0,0,0,0|2,0,1]=4 439 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,0,0,0,0,0|2,0,1]=4 440 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,0,0,0,0,0|2,0,1]=4 441 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,0,0,0,0,0|2,0,1]=4 442 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,0,0,0,0,0|2,0,1]=4 443 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,0,0,0,0,0|2,0,1]=4 444 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,0,0,0,0,0|2,0,0]=3 445 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [1,0,0,0,0,0|3,0,0]=4 446 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [1,0,0,0,0,0|3,0,0]=4 447 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [1,0,0,0,0,0|3,0,0]=4 448 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [1,0,0,0,0,0|3,0,0]=4 449 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [1,0,0,0,0,0|3,0,0]=4 450 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [1,0,0,0,0,0|3,0,0]=4 451 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [1,0,0,0,0,0|3,0,0]=4 452 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [1,0,0,0,0,0|3,0,0]=4 453 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [1,0,0,0,0,0|3,0,0]=4 454 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [1,0,0,0,0,0|3,0,0]=4 455 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [1,0,0,0,0,0|3,0,0]=4 456 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [1,0,0,0,0,0|3,0,0]=4 457 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [1,0,0,0,0,0|3,0,0]=4 458 B9R0.2 CC(C)CCCNCCO 2230a_100016997473_100011214892 [1,0,0,0,0,0|1,0,2]=4 459 B9R0.2 CC(C)CCCNCCO 2230a_200000737386_100000211926 [1,0,0,0,0,0|1,0,2]=4 460 B9R0.2 CC(C)CCCNCCO 34a_100016990907_100011214892 [1,0,0,0,0,0|1,0,2]=4 461 B9R0.2 CC(C)CCCNCCO 34a_200000737386_100000211926 [1,0,0,0,0,0|1,0,2]=4 462 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [1,0,0,0,0,0|1,0,2]=4 463 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [1,0,0,0,0,0|1,0,2]=4 464 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [1,0,0,0,0,0|1,0,2]=4 465 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [1,0,0,0,0,0|1,0,2]=4 466 B9R0.2 CC(C)CCNCCCO 269862a_100000182051_100000185833 [1,0,0,0,0,0|1,0,2]=4 467 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [1,0,0,0,0,0|1,0,2]=4 468 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [1,0,0,0,0,0|1,0,2]=4 469 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [1,0,0,0,0,0|1,0,2]=4 470 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [1,0,0,0,0,0|1,0,2]=4 471 B9R0.2 CC(C)CNCCCCO 2230a_100000210953_100000210776 [1,0,0,0,0,0|1,0,2]=4 472 B9R0.2 CC(C)CNCCCCO 2230a_100000750430_100000210760 [1,0,0,0,0,0|1,0,2]=4 473 B9R0.2 CC(C)CNCCCCO 270004a_100000750430_100000210432 [1,0,0,0,0,0|1,0,2]=4 474 B9R0.2 CC(C)CNCCCCO 34a_100000210953_100011216708 [1,0,0,0,0,0|1,0,2]=4 475 B9R0.2 CC(C)CNCCCCO 34a_100000750430_100000210624 [1,0,0,0,0,0|1,0,2]=4 476 B9R0.2 CC(C)COCCCCO 34a_100000210257_100011216708 [1,0,0,0,0,0|1,0,2]=4 477 B9R0.2 CC(C)CSCCCCO 62a_100000210624_100000210776 [1,0,0,0,0,0|1,0,2]=4 478 B9R0.2 CC(C)CSCCCCO 62a_100000210776_100000210760 [1,0,0,0,0,0|1,0,2]=4 479 B9R0.2 CC(C)NCCCCCF 2230a_100138425928_100000729378 [1,0,0,0,0,0|2,0,1]=4 480 B9R0.2 CC(C)NCCCCCF 34a_100138425928_100000729378 [1,0,0,0,0,0|2,0,1]=4 481 B9R0.2 CC(C)NCCCCCO 2230a_100000762737_100000210206 [1,0,0,0,0,0|1,0,1]=3 482 B9R0.2 CC(C)NCCCCCO 2230a_100138425928_100000746330 [1,0,0,0,0,0|1,0,1]=3 483 B9R0.2 CC(C)NCCCCCO 34a_100000762737_100000210206 [1,0,0,0,0,0|1,0,1]=3 484 B9R0.2 CC(C)NCCCCCO 34a_100138425928_100000746330 [1,0,0,0,0,0|1,0,1]=3 485 B9R0.2 CC(C)NCCOCCO 2230a_100000211614_100000210206 [1,0,0,0,0,0|2,0,1]=4 486 B9R0.2 CC(C)NCCOCCO 2230a_100138425928_100011215305 [1,0,0,0,0,0|2,0,1]=4 487 B9R0.2 CC(C)NCCOCCO 34a_100000211614_100000210206 [1,0,0,0,0,0|2,0,1]=4 488 B9R0.2 CC(C)NCCOCCO 34a_100000224655_100000211926 [1,0,0,0,0,0|2,0,1]=4 489 B9R0.2 CC(C)NCCOCCO 34a_100138425928_100000692535 [1,0,0,0,0,0|2,0,1]=4 490 B9R0.2 CC(C)NCCSCCO 2230a_100011219999_100000210206 [1,0,0,0,0,0|2,0,1]=4 491 B9R0.2 CC(C)OCCCCCBr 34a_100000746331_100000210206 [1,0,0,0,0,0|2,0,1]=4 492 B9R0.2 CC(C)OCCCCCBr 7a_100000746331_100000210206 [1,0,0,0,0,0|2,0,1]=4 493 B9R0.2 CC(C)OCCCCCCl 34a_100000746330_100000210206 [1,0,0,0,0,0|2,0,1]=4 494 B9R0.2 CC(C)OCCCCCCl 7a_100000746330_100000210206 [1,0,0,0,0,0|2,0,1]=4 495 B9R0.2 CC(C)OCCCCCF 34a_100000212225_100000729378 [1,0,0,0,0,0|2,0,1]=4 496 B9R0.2 CC(C)OCCCCCI 34a_200012148887_100000210206 [1,0,0,0,0,0|2,0,1]=4 497 B9R0.2 CC(C)OCCCCCI 7a_200012148887_100000210206 [1,0,0,0,0,0|2,0,1]=4 498 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [1,0,0,0,0,0|2,0,1]=4 499 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [1,0,0,0,0,0|1,0,1]=3 500 B9R0.2 CC(C)OCCNCCO 2230a_100000701111_100000211926 [1,0,0,0,0,0|2,0,1]=4 501 B9R0.2 CC(C)OCCNCCO 2230a_100016997473_100000211751 [1,0,0,0,0,0|2,0,1]=4 502 B9R0.2 CC(C)OCCNCCO 34a_100000701111_100000211926 [1,0,0,0,0,0|2,0,1]=4 503 B9R0.2 CC(C)OCCNCCO 34a_100016990907_100000211751 [1,0,0,0,0,0|2,0,1]=4 504 B9R0.2 CC(C)OCCOCCO 34a_100000211219_100000211926 [1,0,0,0,0,0|2,0,1]=4 505 B9R0.2 CC(C)OCCOCCO 34a_100000212225_100000692535 [1,0,0,0,0,0|2,0,1]=4 506 B9R0.2 CC(C)OCCOCCO 7a_100000211219_100000211926 [1,0,0,0,0,0|2,0,1]=4 507 B9R0.2 CC(C)OCCSCCO 62a_100000211751_100000211926 [1,0,0,0,0,0|2,0,1]=4 508 B9R0.2 CC(C)OCCSCCO 62a_100000211926_100000211751 [1,0,0,0,0,0|2,0,1]=4 509 B9R0.2 CC(C)OCSCCCO 62a_100000709892_100011215043 [1,0,0,0,0,0|2,0,1]=4 510 B9R0.2 CC(C)OCSCCCO 62a_100011215043_100000709892 [1,0,0,0,0,0|2,0,1]=4 511 B9R0.2 CC(C)SCCCCCF 62a_100000210206_100000729378 [1,0,0,0,0,0|2,0,1]=4 512 B9R0.2 CC(C)SCCCCCF 62a_100000729378_100000210206 [1,0,0,0,0,0|2,0,1]=4 513 B9R0.2 CC(C)SCCCCCO 62a_100000210206_100000746330 [1,0,0,0,0,0|1,0,1]=3 514 B9R0.2 CC(C)SCCCCCO 62a_100000746330_100000210206 [1,0,0,0,0,0|1,0,1]=3 515 B9R0.2 CC(C)SCCNCCO 2230a_100000731138_100000211926 [1,0,0,0,0,0|2,0,1]=4 516 B9R0.2 CC(C)SCCNCCO 2230a_100016997473_100000730970 [1,0,0,0,0,0|2,0,1]=4 517 B9R0.2 CC(C)SCCNCCO 34a_100000731138_100000211926 [1,0,0,0,0,0|2,0,1]=4 518 B9R0.2 CC(C)SCCNCCO 34a_100016990907_100000730970 [1,0,0,0,0,0|2,0,1]=4 519 B9R0.2 CC(C)SCCOCCO 34a_200011212901_100000211926 [1,0,0,0,0,0|2,0,1]=4 520 B9R0.2 CC(C)SCCOCCO 62a_100000210206_100011215305 [1,0,0,0,0,0|2,0,1]=4 521 B9R0.2 CC(C)SCCOCCO 62a_100011215305_100000210206 [1,0,0,0,0,0|2,0,1]=4 522 B9R0.2 CC(C)SCCOCCO 7a_200011212901_100000211926 [1,0,0,0,0,0|2,0,1]=4 523 B9R0.2 CC(C)SCCSCCO 62a_100000211926_100000730970 [1,0,0,0,0,0|2,0,1]=4 524 B9R0.2 CC(C)SCCSCCO 62a_100000730970_100000211926 [1,0,0,0,0,0|2,0,1]=4 525 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [1,0,0,0,0,0|2,0,1]=4 526 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [1,0,0,0,0,0|2,0,1]=4 527 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,0,0,0,0,0|2,0,1]=4 528 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,0,0,0,0,0|2,0,1]=4 529 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,0,0,0,0,0|2,0,1]=4 530 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [1,0,0,0,0,0|2,0,1]=4 531 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [1,0,0,0,0,0|2,0,1]=4 532 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [1,0,0,0,0,0|2,0,1]=4 533 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [1,0,0,0,0,0|2,0,1]=4 534 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [1,0,0,0,0,0|2,0,1]=4 535 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [1,0,0,0,0,0|2,0,1]=4 536 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,0,0,0,0,0|3,0,0]=4 537 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,0,0,0,0,0|3,0,0]=4 538 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,0,0,0,0,0|3,0,0]=4 539 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,0,0,0,0,0|3,0,0]=4 540 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,0,0,0,0,0|2,0,1]=4 541 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,0,0,0,0,0|2,0,1]=4 542 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,0,0,0,0,0|2,0,1]=4 543 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,0,0,0,0,0|2,0,1]=4 544 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,0,0,0,0,0|2,0,1]=4 545 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,0,0,0,0,0|2,0,1]=4 546 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [1,0,0,0,0,0|2,0,1]=4 547 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [1,0,0,0,0,0|2,0,1]=4 548 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [1,0,0,0,0,0|2,0,0]=3 549 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [1,0,0,0,0,0|2,0,0]=3 550 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [1,0,0,0,0,0|2,0,0]=3 551 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [1,0,0,0,0,0|2,0,0]=3 552 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [1,0,0,0,0,0|2,0,0]=3 553 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [1,0,0,0,0,0|2,0,0]=3 554 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [1,0,0,0,0,0|2,0,0]=3 555 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [1,0,0,0,0,0|2,0,0]=3 556 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [1,0,0,0,0,0|2,0,0]=3 557 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [1,0,0,0,0,0|2,0,0]=3 558 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [1,0,0,0,0,0|2,0,0]=3 559 B9R0.2 CCOCSCC=C(C)C 62a_100000739092_100000761012 [1,0,0,0,0,0|3,0,0]=4 560 B9R0.2 CCOCSCC=C(C)C 62a_100000761012_100000739092 [1,0,0,0,0,0|3,0,0]=4 561 B9R0.2 CN(C)CCCCCCF 2230a_100102631434_100015922095 [1,0,0,0,0,0|2,0,1]=4 562 B9R0.2 CN(C)CCCCCCF 269982a_100102631434_100015922095 [1,0,0,0,0,0|2,0,1]=4 563 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [1,0,0,0,0,0|1,0,1]=3 564 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [1,0,0,0,0,0|1,0,1]=3 565 B9R0.2 CN(C)CCCSCCO 62a_100000211926_100000757444 [1,0,0,0,0,0|2,0,1]=4 566 B9R0.2 CN(C)CCSCCCO 62a_100011215043_100000755713 [1,0,0,0,0,0|2,0,1]=4 567 B9R0.2 COCCNCC=C(C)C 2230a_100000209980_100000761012 [1,0,0,0,0,0|3,0,0]=4 568 B9R0.2 COCCNCC=C(C)C 34a_100000718196_100011201679 [1,0,0,0,0,0|3,0,0]=4 569 B9R0.2 COCCOCC=C(C)C 34a_100000210237_100000761012 [1,0,0,0,0,0|3,0,0]=4 570 B9R0.2 COCCOCC=C(C)C 34a_100000753907_100011201679 [1,0,0,0,0,0|3,0,0]=4 571 B9R0.2 COCCSCC=C(C)C 62a_100000233755_100000761012 [1,0,0,0,0,0|3,0,0]=4 572 B9R0.2 COCCSCC=C(C)C 62a_100000761012_100000233755 [1,0,0,0,0,0|3,0,0]=4 573 B9R0.2 COCSCCC=C(C)C 62a_100000766300_100011217483 [1,0,0,0,0,0|3,0,0]=4 574 B9R0.2 COCSCCC=C(C)C 62a_100011217483_100000766300 [1,0,0,0,0,0|3,0,0]=4 575 B9R0.2 CSCCNCC=C(C)C 2230a_100020590264_100000761012 [1,0,0,0,0,0|3,0,0]=4 576 B9R0.2 CSCCNCC=C(C)C 34a_100000718196_100000212216 [1,0,0,0,0,0|3,0,0]=4 577 B9R0.2 CSCCOCC=C(C)C 34a_100000230434_100000761012 [1,0,0,0,0,0|3,0,0]=4 578 B9R0.2 CSCCOCC=C(C)C 34a_100000753907_100000212216 [1,0,0,0,0,0|3,0,0]=4 579 B9R0.2 CSCCOCC=C(C)C 7a_100000230434_100000761012 [1,0,0,0,0,0|3,0,0]=4 580 B9R0.2 CSCCSCC=C(C)C 62a_100000212216_100000761012 [1,0,0,0,0,0|3,0,0]=4 581 B9R0.2 CSCCSCC=C(C)C 62a_100000761012_100000751147 [1,0,0,0,0,0|3,0,0]=4 582 B9R0.2 CSCSCCC=C(C)C 62a_100011217483_100011218213 [1,0,0,0,0,0|3,0,0]=4 583 B9R0.2 CSCSCCC=C(C)C 62a_100011218213_100011217483 [1,0,0,0,0,0|3,0,0]=4 584 B9R0.2 OCCNCCC=C(F)F 2230a_100016997473_200009816681 [1,0,0,0,0,0|3,0,0]=4 585 B9R0.2 OCCNCCC=C(F)F 34a_100016990907_200009816681 [1,0,0,0,0,0|3,0,0]=4 586 B9R0.2 OCCSCCC=C(F)F 62a_100000211926_200009816681 [1,0,0,0,0,0|3,0,0]=4 587 B9R0.2 OCCSCCC=C(F)F 62a_200009816681_100000211926 [1,0,0,0,0,0|3,0,0]=4 588 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,0,0,0,0,0|1,0,1]=3 589 B9R0.5 C#CCC(C)OC/C=C/C 34a_100000685586_100102629194 [1,0,0,0,0,0|2,0,1]=4 590 B9R0.5 C#CCC(C)OC/C=C/C 7a_100000685586_100102629194 [1,0,0,0,0,0|2,0,1]=4 591 B9R0.5 C#CCC(C)OCC=CC 34a_100000685586_100000070051 [1,0,0,0,0,0|2,0,1]=4 592 B9R0.5 C#CCC(C)OCC=CC 7a_100000685586_100000070051 [1,0,0,0,0,0|2,0,1]=4 593 B9R0.5 C/C=C/CN[C@H](C)CCO 34a_100000706166_100102629194 [1,0,0,0,0,0|1,0,0]=2 594 B9R0.5 C/C=C/COC(C)CCBr 34a_100012276601_100102629194 [1,0,0,0,0,0|2,0,0]=3 595 B9R0.5 C/C=C/COC(C)CCC 34a_100000764384_100102629194 [1,0,0,0,0,0|2,0,0]=3 596 B9R0.5 C/C=C/COC(C)CCC 34a_100016270725_100000766640 [1,0,0,0,0,0|2,0,0]=3 597 B9R0.5 C/C=C/COC(C)CCC 7a_100000764384_100102629194 [1,0,0,0,0,0|2,0,0]=3 598 B9R0.5 C/C=C/COC(C)CCO 34a_100016270725_100009893172 [1,0,0,0,0,0|1,0,0]=2 599 B9R0.5 C/C=C/COC(C)COC 34a_100016270725_100000765312 [1,0,0,0,0,0|3,0,0]=4 600 B9R0.5 C/C=C/CO[C@H](C)COC 34a_100011934205_100102629194 [1,0,0,0,0,0|3,0,0]=4 601 B9R0.5 C/C=C/CSC(C)CC#N 62a_100009813641_100102629194 [1,0,0,0,0,0|2,0,1]=4 602 B9R0.5 C/C=C/CSC(C)CC#N 62a_100102629194_100009813641 [1,0,0,0,0,0|2,0,1]=4 603 B9R0.5 C/C=C/CSC(C)CCC 62a_100000766640_100102629194 [1,0,0,0,0,0|2,0,0]=3 604 B9R0.5 C/C=C/CSC(C)CCC 62a_100102629194_100000766640 [1,0,0,0,0,0|2,0,0]=3 605 B9R0.5 C/C=C/CSC(C)CCO 62a_100009893172_100102629194 [1,0,0,0,0,0|1,0,0]=2 606 B9R0.5 C/C=C/CSC(C)CCO 62a_100102629194_100009893172 [1,0,0,0,0,0|1,0,0]=2 607 B9R0.5 C/C=C/CSC(C)COC 62a_100000765312_100102629194 [1,0,0,0,0,0|3,0,0]=4 608 B9R0.5 C/C=C/CSC(C)COC 62a_100102629194_100000765312 [1,0,0,0,0,0|3,0,0]=4 609 B9R0.5 C=CCCCN(C)CCO 2230a_100000210263_100011713584 [1,0,0,0,0,0|1,0,2]=4 610 B9R0.5 C=CCCCN(C)CCO 269982a_100000210263_100000757094 [1,0,0,0,0,0|1,0,2]=4 611 B9R0.5 C=CCCNC(C)CCO 2230a_100015191253_100009893172 [1,0,0,0,0,0|1,0,2]=4 612 B9R0.5 C=CCCN[C@H](C)CCO 2230a_100000706166_100000754431 [1,0,0,0,0,0|1,0,2]=4 613 B9R0.5 C=CCCN[C@H](C)CCO 34a_100000706166_100000754431 [1,0,0,0,0,0|1,0,2]=4 614 B9R0.5 C=CCCOC(C)CCO 34a_100011205117_100009893172 [1,0,0,0,0,0|1,0,2]=4 615 B9R0.5 C=CCCSC(C)CCO 62a_100000754431_100009893172 [1,0,0,0,0,0|1,0,2]=4 616 B9R0.5 C=CCCSC(C)CCO 62a_100009893172_100000754431 [1,0,0,0,0,0|1,0,2]=4 617 B9R0.5 C=CC[C@@H](C)OC/C=C/C 34a_100000731007_100102629194 [1,0,0,0,0,0|2,0,1]=4 618 B9R0.5 C=CC[C@@H](C)OC/C=C/C 7a_100000731007_100102629194 [1,0,0,0,0,0|2,0,1]=4 619 B9R0.5 C=CC[C@@H](C)OCC=CC 34a_100000731007_100000070051 [1,0,0,0,0,0|2,0,1]=4 620 B9R0.5 C=CC[C@@H](C)OCC=CC 7a_100000731007_100000070051 [1,0,0,0,0,0|2,0,1]=4 621 B9R0.5 C=COCCN(C)CCO 2230a_100000210263_100000039644 [1,0,0,0,0,0|2,0,1]=4 622 B9R0.5 C=COCCN(C)CCO 269982a_100000210263_100000039644 [1,0,0,0,0,0|2,0,1]=4 623 B9R0.5 CC#CCNC(C)CCO 2230a_100000685387_100009893172 [1,0,0,0,0,0|1,0,2]=4 624 B9R0.5 CC#CCNC(C)CCO 34a_100000685387_100009893172 [1,0,0,0,0,0|1,0,2]=4 625 B9R0.5 CC#CCN[C@H](C)CCO 2230a_100000706166_100000748600 [1,0,0,0,0,0|1,0,2]=4 626 B9R0.5 CC#CCN[C@H](C)CCO 34a_100000706166_100000748600 [1,0,0,0,0,0|1,0,2]=4 627 B9R0.5 CC#CCOC(C)CCO 34a_100000761923_100009893172 [1,0,0,0,0,0|1,0,2]=4 628 B9R0.5 CC#CCSC(C)CCO 62a_100000748600_100009893172 [1,0,0,0,0,0|1,0,2]=4 629 B9R0.5 CC#CCSC(C)CCO 62a_100009893172_100000748600 [1,0,0,0,0,0|1,0,2]=4 630 B9R0.5 CC/C=C\CN(C)CCO 2230a_100000210263_100103147603 [1,0,0,0,0,0|1,0,2]=4 631 B9R0.5 CC/C=C\CN(C)CCO 269982a_100000210263_100103147603 [1,0,0,0,0,0|1,0,2]=4 632 B9R0.5 CC=CCNC(C)CCC 2230a_100000741246_100000070051 [1,0,0,0,0,0|2,0,0]=3 633 B9R0.5 CC=CCN[C@@H](C)CC#N 2230a_100016994482_100000070051 [1,0,0,0,0,0|2,0,1]=4 634 B9R0.5 CC=CCN[C@H](C)CCO 2230a_100000706166_100000070051 [1,0,0,0,0,0|1,0,0]=2 635 B9R0.5 CC=CCN[C@H](C)CCO 34a_100000706166_100000070051 [1,0,0,0,0,0|1,0,0]=2 636 B9R0.5 CC=CCN[C@H](C)COC 2230a_100000764878_100000070051 [1,0,0,0,0,0|3,0,0]=4 637 B9R0.5 CC=CCOC(C)CCBr 34a_100012276601_100000070051 [1,0,0,0,0,0|2,0,0]=3 638 B9R0.5 CC=CCOC(C)CCC 34a_100000764384_100000070051 [1,0,0,0,0,0|2,0,0]=3 639 B9R0.5 CC=CCOC(C)CCC 7a_100000764384_100000070051 [1,0,0,0,0,0|2,0,0]=3 640 B9R0.5 CC=CCO[C@H](C)COC 34a_100011934205_100000070051 [1,0,0,0,0,0|3,0,0]=4 641 B9R0.5 CC=CCSC(C)CC#N 62a_100000070051_100009813641 [1,0,0,0,0,0|2,0,1]=4 642 B9R0.5 CC=CCSC(C)CC#N 62a_100009813641_100000070051 [1,0,0,0,0,0|2,0,1]=4 643 B9R0.5 CC=CCSC(C)CCC 62a_100000070051_100000766640 [1,0,0,0,0,0|2,0,0]=3 644 B9R0.5 CC=CCSC(C)CCC 62a_100000766640_100000070051 [1,0,0,0,0,0|2,0,0]=3 645 B9R0.5 CC=CCSC(C)CCO 62a_100000070051_100009893172 [1,0,0,0,0,0|1,0,0]=2 646 B9R0.5 CC=CCSC(C)CCO 62a_100009893172_100000070051 [1,0,0,0,0,0|1,0,0]=2 647 B9R0.5 CC=CCSC(C)COC 62a_100000070051_100000765312 [1,0,0,0,0,0|3,0,0]=4 648 B9R0.5 CC=CCSC(C)COC 62a_100000765312_100000070051 [1,0,0,0,0,0|3,0,0]=4 649 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [1,0,0,0,0,0|2,0,1]=4 650 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [1,0,0,0,0,0|2,0,1]=4 651 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [1,0,0,0,0,0|2,0,1]=4 652 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [1,0,0,0,0,0|2,0,1]=4 653 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [1,0,0,0,0,0|2,0,1]=4 654 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [1,0,0,0,0,0|2,0,1]=4 655 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [1,0,0,0,0,0|1,0,2]=4 656 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [1,0,0,0,0,0|1,0,2]=4 657 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [1,0,0,0,0,0|1,0,2]=4 658 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [1,0,0,0,0,0|1,0,2]=4 659 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [1,0,0,0,0,0|1,0,2]=4 660 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [1,0,0,0,0,0|1,0,2]=4 661 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [1,0,0,0,0,0|1,0,2]=4 662 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [1,0,0,0,0,0|1,0,2]=4 663 B9R0.5 CCCCNC(C)CCO 2230a_100000102301_100009893172 [1,0,0,0,0,0|1,0,2]=4 664 B9R0.5 CCCCNC(C)CCO 7a_106832991798_100009893172 [1,0,0,0,0,0|1,0,2]=4 665 B9R0.5 CCCCN[C@H](C)CCO 2230a_100000706166_100000210211 [1,0,0,0,0,0|1,0,2]=4 666 B9R0.5 CCCCN[C@H](C)CCO 34a_100000706166_100000210210 [1,0,0,0,0,0|1,0,2]=4 667 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [1,0,0,0,0,0|1,0,2]=4 668 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [1,0,0,0,0,0|1,0,2]=4 669 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [1,0,0,0,0,0|1,0,2]=4 670 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [1,0,0,0,0,0|1,0,2]=4 671 B9R0.5 CCOCCN(C)CCO 2230a_100000210263_100011215890 [1,0,0,0,0,0|2,0,1]=4 672 B9R0.5 CCOCCN(C)CCO 269982a_100000210263_100011215890 [1,0,0,0,0,0|2,0,1]=4 673 B9R0.5 CCOCSC(C)CCO 62a_100000739092_100009893172 [1,0,0,0,0,0|2,0,1]=4 674 B9R0.5 CCOCSC(C)CCO 62a_100009893172_100000739092 [1,0,0,0,0,0|2,0,1]=4 675 B9R0.5 CCSCCN(C)CCO 2230a_100000210263_100000757381 [1,0,0,0,0,0|2,0,1]=4 676 B9R0.5 CCSCCN(C)CCO 269982a_100000210263_100000757381 [1,0,0,0,0,0|2,0,1]=4 677 B9R0.5 CN(CCO)CCCC=O 2230a_100000210263_200011292268 [1,0,0,0,0,0|2,0,1]=4 678 B9R0.5 CN(CCO)CCCC=O 269982a_100000210263_200011292268 [1,0,0,0,0,0|2,0,1]=4 679 B9R0.5 COCCCN(C)CCO 2230a_100000210263_100000740836 [1,0,0,0,0,0|2,0,1]=4 680 B9R0.5 COCCCN(C)CCO 2230a_100000224831_100000211926 [1,0,0,0,0,0|2,0,1]=4 681 B9R0.5 COCCCN(C)CCO 269982a_100000210263_100000740836 [1,0,0,0,0,0|2,0,1]=4 682 B9R0.5 COCCCN(C)CCO 269982a_100000224831_100000211926 [1,0,0,0,0,0|2,0,1]=4 683 B9R0.5 COCCNC(C)CCO 2230a_100000209980_100009893172 [1,0,0,0,0,0|2,0,1]=4 684 B9R0.5 COCCN[C@H](C)CCO 2230a_100000706166_100011201679 [1,0,0,0,0,0|2,0,1]=4 685 B9R0.5 COCCN[C@H](C)CCO 34a_100000706166_100011201679 [1,0,0,0,0,0|2,0,1]=4 686 B9R0.5 COCCOC(C)CCO 34a_100000210237_100009893172 [1,0,0,0,0,0|2,0,1]=4 687 B9R0.5 COCCSC(C)CCO 62a_100000233755_100009893172 [1,0,0,0,0,0|2,0,1]=4 688 B9R0.5 COCCSC(C)CCO 62a_100009893172_100000233755 [1,0,0,0,0,0|2,0,1]=4 689 B9R0.5 CSCCNC(C)CCO 2230a_100020590264_100009893172 [1,0,0,0,0,0|2,0,1]=4 690 B9R0.5 CSCCN[C@H](C)CCO 2230a_100000706166_100000751147 [1,0,0,0,0,0|2,0,1]=4 691 B9R0.5 CSCCN[C@H](C)CCO 34a_100000706166_100000212216 [1,0,0,0,0,0|2,0,1]=4 692 B9R0.5 CSCCOC(C)CCO 34a_100000230434_100009893172 [1,0,0,0,0,0|2,0,1]=4 693 B9R0.5 CSCCOC(C)CCO 7a_100000230434_100009893172 [1,0,0,0,0,0|2,0,1]=4 694 B9R0.5 CSCCSC(C)CCO 62a_100000212216_100009893172 [1,0,0,0,0,0|2,0,1]=4 695 B9R0.5 CSCCSC(C)CCO 62a_100009893172_100000751147 [1,0,0,0,0,0|2,0,1]=4 696 B11R0.1 CC(=CC(=O)N[C@H](C)CCO)C 240690a_100000706166_100000211388 [0,1,0,0,0,0|1,0,1]=3 697 B11R0.1 CC(=CC(=O)N[C@H](C)CCO)Cl 240690a_100000706166_200042562850 [0,1,0,0,0,0|2,0,1]=4 698 B11R0.1 CC(=CC(C)OC(C)CCO)C 34a_100000717055_100009893172 [0,1,0,0,0,0|1,0,0]=2 699 B11R0.1 CC(=O)OC(C)SC(C)CCO 62a_100009818208_100009893172 [0,1,0,0,0,0|3,0,0]=4 700 B11R0.1 CC(=O)OC(C)SC(C)CCO 62a_100009893172_100009818208 [0,1,0,0,0,0|3,0,0]=4 701 B11R0.1 CC(C)CC(C)NC(C)CCO 2230a_100000692259_100009893172 [0,1,0,0,0,0|1,0,2]=4 702 B11R0.1 CC(C)CC(C)N[C@H](C)CCO 2230a_100000706166_100000731052 [0,1,0,0,0,0|1,0,2]=4 703 B11R0.1 CC(C)CC(C)N[C@H](C)CCO 34a_100000706166_100000731052 [0,1,0,0,0,0|1,0,2]=4 704 B11R0.1 CC(C)CC(C)OC(C)CCO 34a_100000211805_100009893172 [0,1,0,0,0,0|1,0,2]=4 705 B11R0.1 CC(C)CC(C)OC(C)CCO 7a_100000211805_100009893172 [0,1,0,0,0,0|1,0,2]=4 706 B11R0.1 CC(C)CC(C)SC(C)CCO 62a_100000731052_100009893172 [0,1,0,0,0,0|1,0,2]=4 707 B11R0.1 CC(C)CC(C)SC(C)CCO 62a_100009893172_100000731052 [0,1,0,0,0,0|1,0,2]=4 708 B11R0.1 CC(CCO)SC(C)CN(C)C 62a_100009893172_100020606517 [0,1,0,0,0,0|2,0,1]=4 709 B11R0.1 CC(CCO)SC(C)CN(C)C 62a_100020606517_100009893172 [0,1,0,0,0,0|2,0,1]=4 710 B11R0.1 CC(CN(C)C)CN(C)CCO 2230a_100000210263_100015348159 [0,1,0,0,0,0|2,0,1]=4 711 B11R0.1 CC(CN(C)C)CN(C)CCO 269982a_100000210263_100015348159 [0,1,0,0,0,0|2,0,1]=4 712 B11R0.1 CCCC(C)CC(=O)C=C(C)C 1458a_100000211388_100011216630 [0,1,0,0,0,0|1,0,1]=3 713 B11R0.1 CCCC(C)CC(=O)C=C(C)Cl 1458a_200042562850_100011216630 [0,1,0,0,0,0|2,0,1]=4 714 B11R0.1 CCCC(C)CC(=O)C=C(C)I 1458a_100025716642_100011216630 [0,1,0,0,0,0|2,0,1]=4 715 B11R0.1 CCCC(C)NC(=O)C=C(C)C 11a_100000741246_100000211388 [0,1,0,0,0,0|2,0,1]=4 716 B11R0.1 CCCC(C)NC(=O)C=C(C)C 1626a_100000741246_100000211388 [0,1,0,0,0,0|2,0,1]=4 717 B11R0.1 CCCC(C)NC(=O)C=C(C)C 240690a_100000741246_100000211388 [0,1,0,0,0,0|2,0,1]=4 718 B11R0.1 CCCC(C)OC(C)C=C(C)C 34a_100000717055_100000766640 [0,1,0,0,0,0|2,0,0]=3 719 B11R0.1 COCC(C)OC(C)C=C(C)C 34a_100000717055_100000765312 [0,1,0,0,0,0|3,0,0]=4 720 B11R0.6 C=C(C)CN(C)CCC=C(C)C 2230a_100000225649_100011217483 [0,1,0,0,0,0|2,0,1]=4 721 B11R0.6 C=C(C)CN(C)CCC=C(C)C 269982a_100000225649_100011217483 [0,1,0,0,0,0|2,0,1]=4 722 B11R0.6 CC(=CCCC(=O)CC(C)C)C 1458a_100000210554_100011217483 [0,1,0,0,0,0|2,0,1]=4 723 B11R0.6 CC(=CCCC(=O)C[C@@H](C)O)C 1458a_100011933948_100011217483 [0,1,0,0,0,0|1,0,1]=3 724 B11R0.6 CC(=CCCC(C)CC(=O)[13CH3])C 1458a_100000043202_200025704644 [0,1,0,0,0,0|0,0,2]=3 725 B11R0.6 CC(=CCCC(C)CN(C)C)C 270004a_100102631434_100000033009 [0,1,0,0,0,0|2,0,0]=3 726 B11R0.6 CC(=CCCC(C)OC(C)C)C 34a_100102619829_100000210206 [0,1,0,0,0,0|2,0,0]=3 727 B11R0.6 CC(=CCCC(C)OC(C)C)C 7a_100102619829_100000210206 [0,1,0,0,0,0|2,0,0]=3 728 B11R0.6 CC(=CCCN(C)CC(=O)N)C 2230a_100000739694_100011217483 [0,1,0,0,0,0|1,0,2]=4 729 B11R0.6 CC(=CCCN(C)CC(=O)O)C 269956a_100000746989_100011217483 [0,1,0,0,0,0|1,0,1]=3 730 B11R0.6 CC(=CCCN(C)CC(C)C)C 2230a_100000747067_100011217483 [0,1,0,0,0,0|2,0,0]=3 731 B11R0.6 CC(=CCCN(C)CC(C)C)C 269982a_100000747067_100011217483 [0,1,0,0,0,0|2,0,0]=3 732 B11R0.6 CC(=CCCN(C)CC(C)O)C 2230a_100000227577_100011217483 [0,1,0,0,0,0|1,0,0]=2 733 B11R0.6 CC(=CCCN(C)CC(C)O)C 269982a_100000227577_100011217483 [0,1,0,0,0,0|1,0,0]=2 734 B11R0.6 CC(=CCNC(C)CC(C)C)C 2230a_100000692259_100000761012 [0,1,0,0,0,0|2,0,0]=3 735 B11R0.6 CC(=CCNC(C)CC(C)C)C 34a_100000718196_100000731052 [0,1,0,0,0,0|2,0,0]=3 736 B11R0.6 CC(=CCOC(C)CC(C)C)C 34a_100000211805_100000761012 [0,1,0,0,0,0|2,0,0]=3 737 B11R0.6 CC(=CCOC(C)CC(C)C)C 34a_100000753907_100000731052 [0,1,0,0,0,0|2,0,0]=3 738 B11R0.6 CC(=CCOC(C)CC(C)C)C 7a_100000211805_100000761012 [0,1,0,0,0,0|2,0,0]=3 739 B11R0.6 CC(=CCSC(C)CC(C)C)C 62a_100000731052_100000761012 [0,1,0,0,0,0|2,0,0]=3 740 B11R0.6 CC(=CCSC(C)CC(C)C)C 62a_100000761012_100000731052 [0,1,0,0,0,0|2,0,0]=3 741 B11R0.6 CC(=CCSC(C)CN(C)C)C 62a_100000761012_100020606517 [0,1,0,0,0,0|3,0,0]=4 742 B11R0.6 CC(=CCSC(C)CN(C)C)C 62a_100020606517_100000761012 [0,1,0,0,0,0|3,0,0]=4 743 B11R0.6 CC(=O)CC(C)CCC=C(C)C 1458a_100000043202_200000210301 [0,1,0,0,0,0|0,0,2]=3 744 B11R0.6 CC(=O)CCCN(C)CC(C)O 269982a_100000227577_100011215641 [0,1,0,0,0,0|2,0,1]=4 745 B11R0.6 CC(=O)NCCN(C)CC(C)O 2230a_100000227577_100000189650 [0,1,0,0,0,0|3,0,0]=4 746 B11R0.6 CC(=O)NCCN(C)CC(C)O 269982a_100000227577_100000189650 [0,1,0,0,0,0|3,0,0]=4 747 B11R0.6 CC(=O)OCCN(C)CC(C)O 269982a_100000227577_100009814007 [0,1,0,0,0,0|3,0,0]=4 748 B11R0.6 CC(C)CCCN(C)CC(C)O 2230a_100000227577_100011214892 [0,1,0,0,0,0|1,0,2]=4 749 B11R0.6 CC(C)CCCN(C)CC(C)O 269982a_100000227577_100011214892 [0,1,0,0,0,0|1,0,2]=4 750 B11R0.6 CC(O)CN(C)CCC=C(F)F 2230a_100000227577_200009816681 [0,1,0,0,0,0|3,0,0]=4 751 B11R0.6 CC(O)CN(C)CCC=C(F)F 269982a_100000227577_200009816681 [0,1,0,0,0,0|3,0,0]=4 752 B11R0.6 CC(O)CN(C)CCCN(C)C 269982a_100000225831_100011218427 [0,1,0,0,0,0|2,0,1]=4 753 B11R0.6 CC(O)CN(C)CCCN(C)C 269982a_100000227577_100000757444 [0,1,0,0,0,0|2,0,1]=4 754 B11R0.6 CC(O)CN(C)CCOC(C)C 2230a_100000227577_100000211751 [0,1,0,0,0,0|2,0,1]=4 755 B11R0.6 CC(O)CN(C)CCOC(C)C 269982a_100000227577_100000211751 [0,1,0,0,0,0|2,0,1]=4 756 B11R0.6 CC(O)CN(C)CCSC(C)C 2230a_100000227577_100000730970 [0,1,0,0,0,0|2,0,1]=4 757 B11R0.6 CC(O)CN(C)CCSC(C)C 269982a_100000227577_100000730970 [0,1,0,0,0,0|2,0,1]=4 758 B11R0.6 C[C@@H](O)CN(C)CCCN(C)C 269982a_100000225831_100009817552 [0,1,0,0,0,0|2,0,1]=4 759 B11R0.45 C#CC(CCC)OCC=C(C)C 34a_200011217317_100000761012 [0,1,0,0,0,0|2,0,1]=4 760 B11R0.45 C#CC(CCC)OCC=C(C)C 7a_200011217317_100000761012 [0,1,0,0,0,0|2,0,1]=4 761 B11R0.45 C#CCC(CC)OCC=C(C)C 34a_200011217983_100000761012 [0,1,0,0,0,0|2,0,1]=4 762 B11R0.45 C#CCC(CC)OCC=C(C)C 7a_200011217983_100000761012 [0,1,0,0,0,0|2,0,1]=4 763 B11R0.45 C#CCN(CC)CCC=C(C)C 2230a_100000744766_100011217483 [0,1,0,0,0,0|2,0,1]=4 764 B11R0.45 C#CCN(CC)CCC=C(C)C 269982a_100000744766_100011217483 [0,1,0,0,0,0|2,0,1]=4 765 B11R0.45 C=CC(CCC)OCC=C(C)C 34a_100011216692_100000761012 [0,1,0,0,0,0|2,0,1]=4 766 B11R0.45 C=CC(CCC)OCC=C(C)C 7a_100011216692_100000761012 [0,1,0,0,0,0|2,0,1]=4 767 B11R0.45 C=CC[C@H](CO)NCC=C(C)C 2230a_100020615467_100000761012 [0,1,0,0,0,0|2,0,1]=4 768 B11R0.45 CCC(COC)NCC=C(C)C 2230a_100000757820_100000761012 [0,1,0,0,0,0|3,0,0]=4 769 B11R0.45 CCC(COC)NCC=C(C)C 270004a_100000718196_100000757811 [0,1,0,0,0,0|3,0,0]=4 770 B11R0.45 CCC(COC)OCC=C(C)C 7a_200011214946_100000761012 [0,1,0,0,0,0|3,0,0]=4 771 B11R0.45 CCCC(C#N)OCC=C(C)C 34a_100000686963_100000761012 [0,1,0,0,0,0|2,0,1]=4 772 B11R0.45 CCCC(C#N)OCC=C(C)C 7a_100000686963_100000761012 [0,1,0,0,0,0|2,0,1]=4 773 B11R0.45 CCCC(CC)NCC=C(C)C 2230a_100000747048_100000761012 [0,1,0,0,0,0|2,0,0]=3 774 B11R0.45 CCCC(CC)NCC=C(C)C 270004a_100000718196_100000687865 [0,1,0,0,0,0|2,0,0]=3 775 B11R0.45 CCCC(CC)OCC=C(C)C 34a_100000687864_100000761012 [0,1,0,0,0,0|2,0,0]=3 776 B11R0.45 CCCC(CC)OCC=C(C)C 7a_100000687864_100000761012 [0,1,0,0,0,0|2,0,0]=3 777 B11R0.45 CCCC(CC)SCC=C(C)C 62a_100000761012_100011219200 [0,1,0,0,0,0|2,0,0]=3 778 B11R0.45 CCCC(CC)SCC=C(C)C 62a_100011219200_100000761012 [0,1,0,0,0,0|2,0,0]=3 779 B11R0.45 CCCC(CCOC(C)C)SC 34a_100000032865_100000210206 [0,1,0,0,0,0|2,0,1]=4 780 B11R0.45 CCCC(CCOC(C)C)SC 7a_100000032865_100000210206 [0,1,0,0,0,0|2,0,1]=4 781 B11R0.45 CCCN(CC)CCC=C(C)C 2230a_100000226822_100011217483 [0,1,0,0,0,0|2,0,0]=3 782 B11R0.45 CCCN(CC)CCC=C(C)C 269982a_100000226822_100011217483 [0,1,0,0,0,0|2,0,0]=3 783 B11R0.45 CCC[C@@H](CO)NCC=C(C)C 2230a_100000732646_100000761012 [0,1,0,0,0,0|2,0,0]=3 784 B11R0.45 CCC[C@@H](CO)NCC=C(C)C 34a_100000732646_100000761012 [0,1,0,0,0,0|2,0,0]=3 785 B11R0.45 CCN(CCO)CCC=C(C)C 2230a_100000210973_100011217483 [0,1,0,0,0,0|1,0,0]=2 786 B11R0.45 CCN(CCO)CCC=C(C)C 269982a_100000210973_100011217483 [0,1,0,0,0,0|1,0,0]=2 787 B11R0.45 CCN(CCO)CCC=C(F)F 2230a_100000210973_200009816681 [0,1,0,0,0,0|3,0,0]=4 788 B11R0.45 CCN(CCO)CCC=C(F)F 269982a_100000210973_200009816681 [0,1,0,0,0,0|3,0,0]=4 789 B11R0.45 CCN(CCO)CCCC(=O)C 269982a_100000210973_100011215641 [0,1,0,0,0,0|2,0,1]=4 790 B11R0.45 CCN(CCO)CCCC(C)C 2230a_100000210973_100011214892 [0,1,0,0,0,0|1,0,2]=4 791 B11R0.45 CCN(CCO)CCCC(C)C 269982a_100000210973_100011214892 [0,1,0,0,0,0|1,0,2]=4 792 B11R0.45 CCN(CCO)CCCN(C)C 269982a_100000210973_100000757444 [0,1,0,0,0,0|2,0,1]=4 793 B11R0.45 CCN(CCO)CCCN(C)C 269982a_100000225837_100000211926 [0,1,0,0,0,0|2,0,1]=4 794 B11R0.45 CCN(CCO)CCNC(=O)C 2230a_100000210973_100000189650 [0,1,0,0,0,0|3,0,0]=4 795 B11R0.45 CCN(CCO)CCNC(=O)C 269982a_100000210973_100000189650 [0,1,0,0,0,0|3,0,0]=4 796 B11R0.45 CCN(CCO)CCOC(=O)C 269982a_100000210973_100009814007 [0,1,0,0,0,0|3,0,0]=4 797 B11R0.45 CCN(CCO)CCOC(C)C 2230a_100000210973_100000211751 [0,1,0,0,0,0|2,0,1]=4 798 B11R0.45 CCN(CCO)CCOC(C)C 269982a_100000210973_100000211751 [0,1,0,0,0,0|2,0,1]=4 799 B11R0.45 CCN(CCO)CCSC(C)C 2230a_100000210973_100000730970 [0,1,0,0,0,0|2,0,1]=4 800 B11R0.45 CCN(CCO)CCSC(C)C 269982a_100000210973_100000730970 [0,1,0,0,0,0|2,0,1]=4 801 B11R0.45 CC[C@H](CC#N)NCC=C(C)C 2230a_200009818565_100000761012 [0,1,0,0,0,0|2,0,1]=4 802 B11R0.45 COCC(CCl)OCC=C(C)C 34a_100011215053_100000761012 [0,1,0,0,0,0|3,0,0]=4 803 B11R0.45 COCC(CN)OCC=C(C)C 34a_100000756049_100000761012 [0,1,0,0,0,0|3,0,0]=4 804 B11R0.45 COCC(CO)NCC=C(C)C 2230a_100000724102_100000761012 [0,1,0,0,0,0|3,0,0]=4 805 B11R0.45 COCC(CO)NCC=C(C)C 34a_100000724102_100000761012 [0,1,0,0,0,0|3,0,0]=4 806 B11R0.59 C=C(C)CCC(=O)C(C)CCO 1458a_200000688413_100009893172 [0,1,0,0,0,0|0,0,3]=4 807 B11R0.59 C=C(C)CCC(C)N(C)CCO 270004a_100000210263_100011215600 [0,1,0,0,0,0|1,0,2]=4 808 B11R0.59 C=C(C)CCN(C)C(C)CCO 2230a_100000731037_100000730704 [0,1,0,0,0,0|1,0,2]=4 809 B11R0.59 C=C(C)CCN(C)C(C)CCO 269982a_100000731037_100000730704 [0,1,0,0,0,0|1,0,2]=4 810 B11R0.59 C=CCC(C)C(=O)CC=C(C)C 1458a_100011216819_100000761012 [0,1,0,0,0,0|1,0,2]=4 811 B11R0.59 CC(=CCC(=O)C(C)CC#N)C 1458a_100011220947_100009813641 [0,1,0,0,0,0|1,0,2]=4 812 B11R0.59 CC(=CCC(=O)C(C)CCO)C 1458a_100011220947_100009893172 [0,1,0,0,0,0|0,0,1]=2 813 B11R0.59 CC(=CCC(=O)N(C)CCO)C 240690a_100000210263_100011220947 [0,1,0,0,0,0|1,0,1]=3 814 B11R0.59 CC(=CCC(=O)N(C)CCO)C 527a_100000210263_100011220947 [0,1,0,0,0,0|1,0,1]=3 815 B11R0.59 CC(=CCN(C)C(C)CCO)C 2230a_100000731037_100000761012 [0,1,0,0,0,0|1,0,0]=2 816 B11R0.59 CC(=CCN(C)C(C)CCO)C 269982a_100000731037_100000761012 [0,1,0,0,0,0|1,0,0]=2 817 B11R0.59 CC(=O)CCN(C)C(C)CCO 269982a_100000731037_100000053229 [0,1,0,0,0,0|2,0,1]=4 818 B11R0.59 CC(=O)NCC(=O)C(C)CCO 1458a_100000194580_100009893172 [0,1,0,0,0,0|2,0,1]=4 819 B11R0.59 CC(=O)OCC(=O)C(C)CCO 1458a_100000183556_100009893172 [0,1,0,0,0,0|2,0,1]=4 820 B11R0.59 CC(=O)OCC(C)N(C)CCO 270004a_100000210263_100000000629 [0,1,0,0,0,0|3,0,0]=4 821 B11R0.59 CC(=O)OCN(C)C(C)CCO 269982a_100000731037_100000076356 [0,1,0,0,0,0|3,0,0]=4 822 B11R0.59 CC(=O)SCC(=O)C(C)CCO 1458a_100000049016_100009893172 [0,1,0,0,0,0|2,0,1]=4 823 B11R0.59 CC(C)C=CC(=O)C(C)CCO 1458a_100016268746_100009893172 [0,1,0,0,0,0|0,0,3]=4 824 B11R0.59 CC(C)CCC(=O)C(C)CCO 1458a_100000181311_100009893172 [0,1,0,0,0,0|0,0,3]=4 825 B11R0.59 CC(C)CCC(C)N(C)CCO 2230a_100000210263_100011261404 [0,1,0,0,0,0|1,0,2]=4 826 B11R0.59 CC(C)CCC(C)N(C)CCO 269982a_100000210263_100011261404 [0,1,0,0,0,0|1,0,2]=4 827 B11R0.59 CC(C)CCC(C)N(C)CCO 270004a_100000210263_100000210476 [0,1,0,0,0,0|1,0,2]=4 828 B11R0.59 CC(C)CCN(C)C(C)CCO 2230a_100000731037_100000210312 [0,1,0,0,0,0|1,0,2]=4 829 B11R0.59 CC(C)CCN(C)C(C)CCO 2230a_100000742789_100009893172 [0,1,0,0,0,0|1,0,2]=4 830 B11R0.59 CC(C)CCN(C)C(C)CCO 269982a_100000731037_100000210312 [0,1,0,0,0,0|1,0,2]=4 831 B11R0.59 CC(C)CCN(C)C(C)CCO 269982a_100000742789_100009893172 [0,1,0,0,0,0|1,0,2]=4 832 B11R0.59 CC(C)OCC(=O)C(C)CCO 1458a_100000745533_100009893172 [0,1,0,0,0,0|1,0,2]=4 833 B11R0.59 CC(C)OCN(C)C(C)CCO 2230a_100000731037_100000709892 [0,1,0,0,0,0|2,0,1]=4 834 B11R0.59 CC(C)OCN(C)C(C)CCO 269982a_100000731037_100000709892 [0,1,0,0,0,0|2,0,1]=4 835 B11R0.59 CC(C)SCC(=O)C(C)CCO 1458a_100000241585_100009893172 [0,1,0,0,0,0|1,0,2]=4 836 B11R0.59 CC(CCO)C(=O)CC[S+](C)C 1458a_100009452791_100009893172 [0,1,0,0,0,0|1,0,2]=4 837 B11R0.59 CC(CCO)N(C)CCN(C)C 269982a_100000225618_100009893172 [0,1,0,0,0,0|2,0,1]=4 838 B11R0.59 CC(CCO)N(C)CCN(C)C 269982a_100000731037_100000755713 [0,1,0,0,0,0|2,0,1]=4 839 B11R0.59 CCCC(C)C(=O)CC=C(C)C 1458a_100000210906_100000761012 [0,1,0,0,0,0|1,0,1]=3 840 B11R0.59 CCCC(C)C(=O)CC=C(C)C 1458a_100011220947_100000766640 [0,1,0,0,0,0|1,0,1]=3 841 B11R0.59 CCCN(C)C(=O)CC=C(C)C 11a_100000747261_100011220947 [0,1,0,0,0,0|2,0,1]=4 842 B11R0.59 CCCN(C)C(=O)CC=C(C)C 1626a_100000747261_100011220947 [0,1,0,0,0,0|2,0,1]=4 843 B11R0.59 CCCN(C)C(=O)CC=C(C)C 240690a_100000747261_100011220947 [0,1,0,0,0,0|2,0,1]=4 844 B11R0.59 CCCN(C)C(=O)CC=C(C)C 527a_100000747261_100011220947 [0,1,0,0,0,0|2,0,1]=4 845 B11R0.59 CCC[C@H](O)C(=O)CC=C(C)C 1458a_100009822183_100000761012 [0,1,0,0,0,0|2,0,1]=4 846 B11R0.59 CCOC(C)C(=O)CC=C(C)C 1458a_100000739345_100000761012 [0,1,0,0,0,0|2,0,1]=4 847 B11R0.59 CCSC(C)C(=O)CC=C(C)C 1458a_100000230601_100000761012 [0,1,0,0,0,0|2,0,1]=4 848 B11R0.59 COCC(C)C(=O)CC=C(C)C 1458a_100000751857_100000761012 [0,1,0,0,0,0|2,0,1]=4 849 B11R0.59 COCC(C)C(=O)CC=C(C)C 1458a_100011220947_100000765312 [0,1,0,0,0,0|2,0,1]=4 850 B11R0.59 CSCC(C)C(=O)CC=C(C)C 1458a_100000753918_100000761012 [0,1,0,0,0,0|2,0,1]=4 851 B11R0.104 C=CCC(C)(C)OCC=C(C)C 7a_100011995686_100000761012 [0,1,0,0,0,0|2,0,1]=4 852 B11R0.104 CC(=CCOC(C)(C)CCBr)C 7a_100000702414_100000761012 [0,1,0,0,0,0|2,0,0]=3 853 B11R0.104 CCCC(C)(C)OCC=C(C)C 7a_100000748436_100000761012 [0,1,0,0,0,0|2,0,0]=3 854 B11R0.104 COCC(C)(C)NCC=C(C)C 2230a_100000752728_100000761012 [0,1,0,0,0,0|3,0,0]=4 855 B11R0.104 CSCC(C)(C)NCC=C(C)C 2230a_100000759623_100000761012 [0,1,0,0,0,0|3,0,0]=4 856 B11R0.104 CSCC(C)(C)NCC=C(C)C 7a_100000759623_100000761012 [0,1,0,0,0,0|3,0,0]=4 857 B11R0.141 CC(=O)C(=O)CN[C@H](C)CCO 34a_100000706166_100011261029 [0,1,0,0,0,0|2,0,0]=3 858 B11R0.141 CC(=O)C(=O)COC(C)CCBr 34a_100012276601_100011261029 [0,1,0,0,0,0|3,0,0]=4 859 B11R0.141 CC(=O)C(=O)CSC(C)CCO 62a_100009893172_100011261029 [0,1,0,0,0,0|2,0,0]=3 860 B11R0.141 CC(=O)C(=O)CSC(C)CCO 62a_100011261029_100009893172 [0,1,0,0,0,0|2,0,0]=3 861 B11R0.141 CC(=O)C(C)COC(C)CCO 34a_100000032740_100009893172 [0,1,0,0,0,0|2,0,1]=4 862 B11R0.141 CC(=O)C(C)COC(C)CCO 7a_100000032740_100009893172 [0,1,0,0,0,0|2,0,1]=4 863 B11R0.141 CC(C)C(=O)CN[C@H](C)CCO 2230a_100000706166_100000753385 [0,1,0,0,0,0|1,0,1]=3 864 B11R0.141 CC(C)C(=O)CN[C@H](C)CCO 34a_100000706166_100000753385 [0,1,0,0,0,0|1,0,1]=3 865 B11R0.141 CC(CCBr)OCC(=O)C(C)C 34a_100012276601_100000753385 [0,1,0,0,0,0|2,0,1]=4 866 B11R0.141 CC(CCBr)OCC(=O)N(C)C 34a_100012276601_100000692301 [0,1,0,0,0,0|3,0,0]=4 867 B11R0.141 CC(CCO)NCC(=O)N(C)C 2230a_100015183351_100009893172 [0,1,0,0,0,0|2,0,0]=3 868 B11R0.141 CC(CCO)NCC(O)C(C)C 2230a_100000759067_100009893172 [0,1,0,0,0,0|1,0,2]=4 869 B11R0.141 CC(CCO)NCC(O)C(C)C 34a_100000759067_100009893172 [0,1,0,0,0,0|1,0,2]=4 870 B11R0.141 CC(CCO)OC[C@H](N)C(C)C 34a_100011830312_100009893172 [0,1,0,0,0,0|1,0,2]=4 871 B11R0.141 CC(CCO)SCC(=O)C(C)C 62a_100000753385_100009893172 [0,1,0,0,0,0|1,0,1]=3 872 B11R0.141 CC(CCO)SCC(=O)C(C)C 62a_100009893172_100000753385 [0,1,0,0,0,0|1,0,1]=3 873 B11R0.141 CC(CCO)SCC(=O)N(C)C 62a_100000692301_100009893172 [0,1,0,0,0,0|2,0,0]=3 874 B11R0.141 CC(CCO)SCC(=O)N(C)C 62a_100009893172_100000692301 [0,1,0,0,0,0|2,0,0]=3 875 B11R0.141 CCCC(C)CCC(C)N(C)C 270004a_100102631434_200011216527 [0,1,0,0,0,0|2,0,1]=4 876 B11R0.141 CCCC(C)NCC(=O)C(C)C 2230a_100000741246_100000753385 [0,1,0,0,0,0|2,0,1]=4 877 B11R0.141 CCCC(C)NCC(=O)N(C)C 2230a_100000741246_100000185267 [0,1,0,0,0,0|3,0,0]=4 878 B11R0.141 CCCC(C)NCC(=O)N(C)C 2230a_100015183351_100000766640 [0,1,0,0,0,0|3,0,0]=4 879 B11R0.141 CCCC(C)NCC(=O)N(C)C 270004a_100015183351_100000211909 [0,1,0,0,0,0|3,0,0]=4 880 B11R0.141 CCCC(C)OCC(=O)C(=O)C 34a_100000764384_100011261029 [0,1,0,0,0,0|3,0,0]=4 881 B11R0.141 CCCC(C)OCC(=O)C(C)C 34a_100000764384_100000753385 [0,1,0,0,0,0|2,0,1]=4 882 B11R0.141 CCCC(C)OCC(=O)C(C)C 7a_100000764384_100000753385 [0,1,0,0,0,0|2,0,1]=4 883 B11R0.141 CCCC(C)OCC(=O)N(C)C 34a_100000764384_100000692301 [0,1,0,0,0,0|3,0,0]=4 884 B11R0.141 CCCC(C)OCC(=O)N(C)C 7a_100000764384_100000692301 [0,1,0,0,0,0|3,0,0]=4 885 B11R0.141 CCCC(C)SCC(=O)C(=O)C 62a_100000766640_100011261029 [0,1,0,0,0,0|3,0,0]=4 886 B11R0.141 CCCC(C)SCC(=O)C(=O)C 62a_100011261029_100000766640 [0,1,0,0,0,0|3,0,0]=4 887 B11R0.141 CCCC(C)SCC(=O)C(C)C 62a_100000753385_100000766640 [0,1,0,0,0,0|2,0,1]=4 888 B11R0.141 CCCC(C)SCC(=O)C(C)C 62a_100000766640_100000753385 [0,1,0,0,0,0|2,0,1]=4 889 B11R0.141 CCCC(C)SCC(=O)N(C)C 62a_100000692301_100000766640 [0,1,0,0,0,0|3,0,0]=4 890 B11R0.141 CCCC(C)SCC(=O)N(C)C 62a_100000766640_100000692301 [0,1,0,0,0,0|3,0,0]=4 891 B11R0.141 CCCN(C)CCC(=O)N(C)C 2230a_100000747261_100000737620 [0,1,0,0,0,0|3,0,0]=4 892 B11R0.141 CCCN(C)CCC(=O)N(C)C 269982a_100000747261_100000737620 [0,1,0,0,0,0|3,0,0]=4 893 B11R0.141 CN(C)C(=O)CCC(=O)CCO 1458a_100011200748_100000211926 [0,1,0,0,0,0|2,0,1]=4 894 B11R0.141 CN(CCO)CCC(=C(F)F)F 2230a_100000210263_100000036642 [0,1,0,0,0,0|3,0,0]=4 895 B11R0.141 CN(CCO)CCC(=C(F)F)F 269982a_100000210263_100009813398 [0,1,0,0,0,0|3,0,0]=4 896 B11R0.141 CN(CCO)CCC(=O)N(C)C 2230a_100000210263_100000737620 [0,1,0,0,0,0|2,0,0]=3 897 B11R0.141 CN(CCO)CCC(=O)N(C)C 269982a_100000210263_100000737620 [0,1,0,0,0,0|2,0,0]=3 898 B11R0.141 C[C@H](CCO)NCC(=O)N(C)C 2230a_100000706166_100000185267 [0,1,0,0,0,0|2,0,0]=3 899 B11R0.141 C[C@H](CCO)NCC(=O)N(C)C 34a_100000706166_100000692301 [0,1,0,0,0,0|2,0,0]=3 900 B11R0.145 C=C[C@@H](C)[C@@H](C)OCC=C(C)C 34a_100015455354_100000761012 [0,1,0,0,0,0|2,0,1]=4 901 B11R0.145 C=C[C@@H](C)[C@@H](C)OCC=C(C)C 7a_100015455354_100000761012 [0,1,0,0,0,0|2,0,1]=4 902 B11R0.145 CC(=CCCC(=O)C(O)CO)C 1458a_100011215603_100011217483 [0,1,0,0,0,0|1,0,1]=3 903 B11R0.145 CC(=CCCN(C)C(C)CO)C 2230a_100000693034_100011217483 [0,1,0,0,0,0|1,0,0]=2 904 B11R0.145 CC(=CCCN(C)C(C)CO)C 269982a_100000693034_100011217483 [0,1,0,0,0,0|1,0,0]=2 905 B11R0.145 CC(=O)CCCN(C)C(C)CO 269982a_100000693034_100011215641 [0,1,0,0,0,0|2,0,1]=4 906 B11R0.145 CC(=O)NCCN(C)C(C)CO 2230a_100000693034_100000189650 [0,1,0,0,0,0|3,0,0]=4 907 B11R0.145 CC(=O)NCCN(C)C(C)CO 269982a_100000693034_100000189650 [0,1,0,0,0,0|3,0,0]=4 908 B11R0.145 CC(=O)OCCN(C)C(C)CO 269982a_100000693034_100009814007 [0,1,0,0,0,0|3,0,0]=4 909 B11R0.145 CC(C)CCCN(C)C(C)CO 2230a_100000693034_100011214892 [0,1,0,0,0,0|1,0,2]=4 910 B11R0.145 CC(C)CCCN(C)C(C)CO 269982a_100000693034_100011214892 [0,1,0,0,0,0|1,0,2]=4 911 B11R0.145 CC(C)OCCN(C)C(C)CO 2230a_100000693034_100000211751 [0,1,0,0,0,0|2,0,1]=4 912 B11R0.145 CC(C)OCCN(C)C(C)CO 269982a_100000693034_100000211751 [0,1,0,0,0,0|2,0,1]=4 913 B11R0.145 CC(C)SCCN(C)C(C)CO 2230a_100000693034_100000730970 [0,1,0,0,0,0|2,0,1]=4 914 B11R0.145 CC(C)SCCN(C)C(C)CO 269982a_100000693034_100000730970 [0,1,0,0,0,0|2,0,1]=4 915 B11R0.145 CC(CO)N(C)CCC=C(F)F 2230a_100000693034_200009816681 [0,1,0,0,0,0|3,0,0]=4 916 B11R0.145 CC(CO)N(C)CCC=C(F)F 269982a_100000693034_200009816681 [0,1,0,0,0,0|3,0,0]=4 917 B11R0.145 CC(CO)N(C)CCCN(C)C 269982a_100000693034_100000757444 [0,1,0,0,0,0|2,0,1]=4 918 B11R0.145 CCC(=O)C(C)SCC=C(C)C 62a_100000742827_100000761012 [0,1,0,0,0,0|2,0,1]=4 919 B11R0.145 CCC(=O)C(C)SCC=C(C)C 62a_100000761012_100000742827 [0,1,0,0,0,0|2,0,1]=4 920 B11R0.145 CCC(C)C(=O)CCC=C(C)C 1458a_100011192722_100011217483 [0,1,0,0,0,0|2,0,1]=4 921 B11R0.145 CCC(C)C(C)NCC=C(C)C 270004a_100000718196_100000210599 [0,1,0,0,0,0|2,0,0]=3 922 B11R0.145 CCC(C)C(C)OCC=C(C)C 7a_100011215189_100000761012 [0,1,0,0,0,0|2,0,0]=3 923 B11R0.145 CCC(C)N(C)CCC=C(C)C 2230a_100000741768_100011217483 [0,1,0,0,0,0|2,0,0]=3 924 B11R0.145 CCC(C)N(C)CCC=C(C)C 269982a_100000741768_100011217483 [0,1,0,0,0,0|2,0,0]=3 925 B11R0.145 CCC(O)C(=O)CCC=C(C)C 1458a_100011196387_100011217483 [0,1,0,0,0,0|2,0,1]=4 926 B11R0.145 C[C@H](CO)N(C)CCCN(C)C 269982a_100000225831_100016084084 [0,1,0,0,0,0|2,0,1]=4 927 B11R0.147 C#CCCC(=O)CCC=C(C)C 1458a_100000692101_100011217483 [0,1,0,0,0,0|2,0,1]=4 928 B11R0.147 C#CCOC(C)CCC=C(C)C 34a_100102619829_100000184674 [0,1,0,0,0,0|1,0,1]=3 929 B11R0.147 C#CCOC(C)CCC=C(C)C 7a_100102619829_100000038162 [0,1,0,0,0,0|1,0,1]=3 930 B11R0.147 C=C(C)CNC[C@H](C)CCCO 2230a_100160569302_100000748629 [0,1,0,0,0,0|1,0,2]=4 931 B11R0.147 C=C(C)CNC[C@H](C)CCCO 34a_100160569302_100000748629 [0,1,0,0,0,0|1,0,2]=4 932 B11R0.147 C=CCCC(=O)CCC=C(C)C 1458a_100000749702_100011217483 [0,1,0,0,0,0|2,0,1]=4 933 B11R0.147 C=CCCC(C)NCC=C(C)C 270004a_100000718196_100000762624 [0,1,0,0,0,0|2,0,0]=3 934 B11R0.147 C=CCCC(C)OCC=C(C)C 34a_100000765329_100000761012 [0,1,0,0,0,0|2,0,0]=3 935 B11R0.147 C=CCCC(C)OCC=C(C)C 7a_100000765329_100000761012 [0,1,0,0,0,0|2,0,0]=3 936 B11R0.147 C=CCCN(C)CCC=C(C)C 2230a_100020639649_100011217483 [0,1,0,0,0,0|2,0,0]=3 937 B11R0.147 C=CCCN(C)CCC=C(C)C 269982a_100020639649_100011217483 [0,1,0,0,0,0|2,0,0]=3 938 B11R0.147 C=CCNC(C)CCC=C(C)C 270004a_100020586998_100000765506 [0,1,0,0,0,0|1,0,1]=3 939 B11R0.147 C=CCOC(C)CCC=C(C)C 34a_100102619829_100015514636 [0,1,0,0,0,0|1,0,1]=3 940 B11R0.147 C=CCOC(C)CCC=C(C)C 7a_100102619829_100015514636 [0,1,0,0,0,0|1,0,1]=3 941 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 2230a_200020676162_200025704644 [0,1,0,0,0,0|1,0,2]=4 942 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 34a_200020676162_200025704644 [0,1,0,0,0,0|1,0,2]=4 943 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_100016991246_200025704644 [0,1,0,0,0,0|0,1,2]=4 944 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_200025704644_100016991246 [0,1,0,0,0,0|0,1,2]=4 945 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 34a_100016990311_200025704644 [0,1,0,0,0,0|0,0,2]=3 946 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 7a_100016990311_200025704644 [0,1,0,0,0,0|0,0,2]=3 947 B11R0.147 CC(=CCCC(=O)C#CCO)C 1458a_100000049017_100011217483 [0,1,0,0,0,0|1,0,2]=4 948 B11R0.147 CC(=CCCC(=O)CCC#N)C 1458a_100011934036_100011217483 [0,1,0,0,0,0|2,0,1]=4 949 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 34a_100000017536_200025704644 [0,1,0,0,0,0|0,0,0]=1 950 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 7a_100000017536_200025704644 [0,1,0,0,0,0|0,0,0]=1 951 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_100009814015_200025704644 [0,1,0,0,0,0|0,1,0]=2 952 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_200025704644_100009814015 [0,1,0,0,0,0|0,1,0]=2 953 B11R0.147 CC(=CCCC(C)NCCO)C 270004a_100000210304_100000765506 [0,1,0,0,0,0|0,0,0]=1 954 B11R0.147 CC(=CCCC(C)OCC#N)C 7a_100102619829_100011215382 [0,1,0,0,0,0|1,0,1]=3 955 B11R0.147 CC(=CCCC(C)OCC=O)C 34a_100102619829_200009817547 [0,1,0,0,0,0|0,0,2]=3 956 B11R0.147 CC(=CCCC(C)OCC=O)C 7a_100102619829_200015260668 [0,1,0,0,0,0|0,0,2]=3 957 B11R0.147 CC(=CCCC(C)OCCF)C 34a_100102619829_100011217306 [0,1,0,0,0,0|1,0,0]=2 958 B11R0.147 CC(=CCCC(C)OCCF)C 7a_100102619829_100011217306 [0,1,0,0,0,0|1,0,0]=2 959 B11R0.147 CC(=CCCC(C)OCCO)C 34a_100102619829_100000211926 [0,1,0,0,0,0|0,0,0]=1 960 B11R0.147 CC(=CCCC(C)OCCO)C 7a_100102619829_100000211926 [0,1,0,0,0,0|0,0,0]=1 961 B11R0.147 CC(=CCCN(C)CCC#N)C 2230a_100000184479_100011217483 [0,1,0,0,0,0|2,0,0]=3 962 B11R0.147 CC(=CCCN(C)CCCO)C 2230a_100000213112_100011217483 [0,1,0,0,0,0|1,0,0]=2 963 B11R0.147 CC(=CCCN(C)CCCO)C 269982a_100000213112_100011217483 [0,1,0,0,0,0|1,0,0]=2 964 B11R0.147 CC(=CCNC(=O)NCCO)C 2708a_100000718196_100000210304 [0,1,0,0,0,0|2,0,1]=4 965 B11R0.147 CC(=CCNC(=O)NCCO)C 273464a_100000210304_100000718196 [0,1,0,0,0,0|2,0,1]=4 966 B11R0.147 CC(=CCNC(=O)NCCO)C 273464a_100000718196_100000210304 [0,1,0,0,0,0|2,0,1]=4 967 B11R0.147 CC(=CCNC(=O)NCCO)C 512a_100000718196_100000210304 [0,1,0,0,0,0|2,0,1]=4 968 B11R0.147 CC(=CCOC(C)CCCCl)C 34a_200000718107_100000761012 [0,1,0,0,0,0|2,0,0]=3 969 B11R0.147 CC(=CCOC(C)CCCCl)C 7a_200000718107_100000761012 [0,1,0,0,0,0|2,0,0]=3 970 B11R0.147 CC(=O)CCCN(C)CCCO 269982a_100000213112_100011215641 [0,1,0,0,0,0|2,0,1]=4 971 B11R0.147 CC(=O)NCCN(C)CCCO 2230a_100000213112_100000189650 [0,1,0,0,0,0|3,0,0]=4 972 B11R0.147 CC(=O)NCCN(C)CCCO 269982a_100000213112_100000189650 [0,1,0,0,0,0|3,0,0]=4 973 B11R0.147 CC(=O)OCCN(C)CCCO 269982a_100000213112_100009814007 [0,1,0,0,0,0|3,0,0]=4 974 B11R0.147 CC(C)CCCC(C)CCN[13CH3] 2230a_102516457229_200025704644 [0,1,0,0,0,0|1,0,2]=4 975 B11R0.147 CC(C)CCCC(C)CCO[13CH3] 34a_100000015991_200025704644 [0,1,0,0,0,0|0,0,2]=3 976 B11R0.147 CC(C)CCCC(C)CCO[13CH3] 7a_100000015991_200025704644 [0,1,0,0,0,0|0,0,2]=3 977 B11R0.147 CC(C)CCCC(C)CCS[13CH3] 62a_100009816328_200025704644 [0,1,0,0,0,0|0,1,2]=4 978 B11R0.147 CC(C)CCCC(C)CCS[13CH3] 62a_200025704644_100009816328 [0,1,0,0,0,0|0,1,2]=4 979 B11R0.147 CC(C)CCCC(C)NCCF 2230a_100000210607_100011217306 [0,1,0,0,0,0|1,0,2]=4 980 B11R0.147 CC(C)CCCC(C)NCCO 2230a_100000210607_100000211926 [0,1,0,0,0,0|0,0,2]=3 981 B11R0.147 CC(C)CCCC(C)NCCO 270004a_100000210304_100000753411 [0,1,0,0,0,0|0,0,2]=3 982 B11R0.147 CC(C)CCCC(C)OCCF 34a_200011218570_100011217306 [0,1,0,0,0,0|1,0,2]=4 983 B11R0.147 CC(C)CCCC(C)OCCF 7a_200011218570_100011217306 [0,1,0,0,0,0|1,0,2]=4 984 B11R0.147 CC(C)CCCC(C)OCCO 34a_200011218570_100000211926 [0,1,0,0,0,0|0,0,2]=3 985 B11R0.147 CC(C)CCCC(C)OCCO 7a_200011218570_100000211926 [0,1,0,0,0,0|0,0,2]=3 986 B11R0.147 CC(C)CCCN(C)CCCO 2230a_100000213112_100011214892 [0,1,0,0,0,0|1,0,2]=4 987 B11R0.147 CC(C)CCCN(C)CCCO 269982a_100000213112_100011214892 [0,1,0,0,0,0|1,0,2]=4 988 B11R0.147 CC(C)CNC[C@H](C)CCCO 2230a_100160569302_100000210760 [0,1,0,0,0,0|1,0,2]=4 989 B11R0.147 CC(C)CNC[C@H](C)CCCO 270004a_100160569302_100000210432 [0,1,0,0,0,0|1,0,2]=4 990 B11R0.147 CC(C)CNC[C@H](C)CCCO 34a_100160569302_100000210624 [0,1,0,0,0,0|1,0,2]=4 991 B11R0.147 CC(C)OCCN(C)CCCO 2230a_100000213112_100000211751 [0,1,0,0,0,0|2,0,1]=4 992 B11R0.147 CC(C)OCCN(C)CCCO 269982a_100000213112_100000211751 [0,1,0,0,0,0|2,0,1]=4 993 B11R0.147 CC(C)SCCN(C)CCCO 2230a_100000213112_100000730970 [0,1,0,0,0,0|2,0,1]=4 994 B11R0.147 CC(C)SCCN(C)CCCO 269982a_100000213112_100000730970 [0,1,0,0,0,0|2,0,1]=4 995 B11R0.147 CC(CCCC(=O)[O-])OCCO 7a_100000761597_100000211926 [0,1,0,0,0,0|2,0,1]=4 996 B11R0.147 CC(CCOC(C)C)NCCO 270004a_100000210304_200011219172 [0,1,0,0,0,0|1,0,1]=3 997 B11R0.147 CCC#CC(C)OCC=C(C)C 34a_100000033903_100000761012 [0,1,0,0,0,0|2,0,1]=4 998 B11R0.147 CCC#CC(C)OCC=C(C)C 7a_100000033903_100000761012 [0,1,0,0,0,0|2,0,1]=4 999 B11R0.147 CCCCC(=O)CCC=C(C)C 1458a_100000210183_100011217483 [0,1,0,0,0,0|2,0,1]=4 1000 B11R0.147 CCCCC(C)NCC=C(C)C 2230a_100000126638_100000761012 [0,1,0,0,0,0|2,0,0]=3 1001 B11R0.147 CCCCC(C)NCC=C(C)C 270004a_100000718196_100000210087 [0,1,0,0,0,0|2,0,0]=3 1002 B11R0.147 CCCCC(C)NCC=C(C)C 34a_100000718196_200011215066 [0,1,0,0,0,0|2,0,0]=3 1003 B11R0.147 CCCCC(C)OCC=C(C)C 34a_100000687866_100000761012 [0,1,0,0,0,0|2,0,0]=3 1004 B11R0.147 CCCCC(C)OCC=C(C)C 34a_100000753907_200011215066 [0,1,0,0,0,0|2,0,0]=3 1005 B11R0.147 CCCCC(C)OCC=C(C)C 7a_100000687866_100000761012 [0,1,0,0,0,0|2,0,0]=3 1006 B11R0.147 CCCCC(C)SCC=C(C)C 62a_100000761012_200011215066 [0,1,0,0,0,0|2,0,0]=3 1007 B11R0.147 CCCCC(C)SCC=C(C)C 62a_200011215066_100000761012 [0,1,0,0,0,0|2,0,0]=3 1008 B11R0.147 CCCCN(C)CCC=C(C)C 2230a_100000207549_100011217483 [0,1,0,0,0,0|2,0,0]=3 1009 B11R0.147 CCCCN(C)CCC=C(C)C 269982a_100000207549_100011217483 [0,1,0,0,0,0|2,0,0]=3 1010 B11R0.147 CCCNC(C)CCC=C(C)C 270004a_100020643023_100000765506 [0,1,0,0,0,0|1,0,0]=2 1011 B11R0.147 CCCNC(C)CCCC(C)C 2230a_100000210607_100000210303 [0,1,0,0,0,0|1,0,2]=4 1012 B11R0.147 CCCNC(C)CCCC(C)C 270004a_100020643023_100000753411 [0,1,0,0,0,0|1,0,2]=4 1013 B11R0.147 CCCNC(C)CCOC(C)C 270004a_100020643023_200011219172 [0,1,0,0,0,0|2,0,1]=4 1014 B11R0.147 CCCOC(C)CCC=C(C)C 34a_100102619829_100000210303 [0,1,0,0,0,0|1,0,0]=2 1015 B11R0.147 CCCOC(C)CCC=C(C)C 7a_100102619829_100000210303 [0,1,0,0,0,0|1,0,0]=2 1016 B11R0.147 CCCOC(C)CCCC(C)C 34a_200011218570_100000210303 [0,1,0,0,0,0|1,0,2]=4 1017 B11R0.147 CCCOC(C)CCCC(C)C 7a_200011218570_100000210303 [0,1,0,0,0,0|1,0,2]=4 1018 B11R0.147 CCNCC(C)CCC=C(C)C 270004a_100015525214_100000033009 [0,1,0,0,0,0|1,0,0]=2 1019 B11R0.147 CCNN=C(C)CCC=C(C)C 4a_100000756455_100000765506 [0,1,0,0,0,0|2,0,1]=4 1020 B11R0.147 CCOCC(=O)CCC=C(C)C 1458a_100000211967_100011217483 [0,1,0,0,0,0|2,0,1]=4 1021 B11R0.147 CCOCC(C)OCC=C(C)C 34a_100000718985_100000761012 [0,1,0,0,0,0|2,0,0]=3 1022 B11R0.147 CCOCC(C)OCC=C(C)C 7a_100000718985_100000761012 [0,1,0,0,0,0|2,0,0]=3 1023 B11R0.147 CCSCC(=O)CCC=C(C)C 1458a_100000230394_100011217483 [0,1,0,0,0,0|2,0,1]=4 1024 B11R0.147 CCSCC(C)NCC=C(C)C 270004a_100000718196_200011216171 [0,1,0,0,0,0|2,0,0]=3 1025 B11R0.147 CN(C)CCCN(C)CCCO 269982a_100000213112_100000757444 [0,1,0,0,0,0|2,0,1]=4 1026 B11R0.147 CN(C)CCCN(C)CCCO 269982a_100000225831_100011215043 [0,1,0,0,0,0|2,0,1]=4 1027 B11R0.147 CN(CCC=C(F)F)CCCO 2230a_100000213112_200009816681 [0,1,0,0,0,0|3,0,0]=4 1028 B11R0.147 CN(CCC=C(F)F)CCCO 269982a_100000213112_200009816681 [0,1,0,0,0,0|3,0,0]=4 1029 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 2230a_106832991635_100016991246 [0,1,0,0,0,0|1,0,2]=4 1030 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_200000210301 [0,1,0,0,0,0|1,0,2]=4 1031 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 34a_100102657272_100016991246 [0,1,0,0,0,0|1,0,2]=4 1032 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_200000210301 [0,1,0,0,0,0|1,0,2]=4 1033 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 7a_106832991635_100016991246 [0,1,0,0,0,0|1,0,2]=4 1034 B11R0.147 CNCCC(C)CCC=C(C)C 2230a_106832991635_100009814015 [0,1,0,0,0,0|1,0,0]=2 1035 B11R0.147 CNCCC(C)CCC=C(C)C 269862a_106832991636_100000212096 [0,1,0,0,0,0|1,0,0]=2 1036 B11R0.147 CNCCC(C)CCC=C(C)C 270004a_106832991635_100000212096 [0,1,0,0,0,0|1,0,0]=2 1037 B11R0.147 CNCCC(C)CCC=C(C)C 34a_100102657272_100009814015 [0,1,0,0,0,0|1,0,0]=2 1038 B11R0.147 CNCCC(C)CCC=C(C)C 7a_106832991635_100009814015 [0,1,0,0,0,0|1,0,0]=2 1039 B11R0.147 CNCCC(C)CCCC(C)C 2230a_102516457229_200000210301 [0,1,0,0,0,0|1,0,2]=4 1040 B11R0.147 CNCCC(C)CCCC(C)C 2230a_106832991635_100009816328 [0,1,0,0,0,0|1,0,2]=4 1041 B11R0.147 CNCCC(C)CCCC(C)C 34a_100102657272_100009816328 [0,1,0,0,0,0|1,0,2]=4 1042 B11R0.147 CNCCC(C)CCCC(C)C 7a_106832991635_100009816328 [0,1,0,0,0,0|1,0,2]=4 1043 B11R0.147 COC/C=C(/C)\CCC=C(C)C 34a_100016990311_200000210301 [0,1,0,0,0,0|0,0,2]=3 1044 B11R0.147 COC/C=C(/C)\CCC=C(C)C 7a_100016990311_200000210301 [0,1,0,0,0,0|0,0,2]=3 1045 B11R0.147 COC/C=C(\C)/CCC=C(C)C 34a_100138415774_100016991246 [0,1,0,0,0,0|0,0,2]=3 1046 B11R0.147 COCCC(=O)CCC=C(C)C 1458a_100000749529_100011217483 [0,1,0,0,0,0|1,0,1]=3 1047 B11R0.147 COCCC(=O)NCC=C(C)C 11a_100000718196_100000749529 [0,1,0,0,0,0|2,0,1]=4 1048 B11R0.147 COCCC(=O)NCC=C(C)C 1626a_100000718196_100000749529 [0,1,0,0,0,0|2,0,1]=4 1049 B11R0.147 COCCC(=O)NCC=C(C)C 527a_100000718196_100000749529 [0,1,0,0,0,0|2,0,1]=4 1050 B11R0.147 COCCC(C)CCC=C(C)C 34a_100000017536_200000210301 [0,1,0,0,0,0|0,0,0]=1 1051 B11R0.147 COCCC(C)CCC=C(C)C 34a_100138415774_100009814015 [0,1,0,0,0,0|0,0,0]=1 1052 B11R0.147 COCCC(C)CCC=C(C)C 7a_100000017536_200000210301 [0,1,0,0,0,0|0,0,0]=1 1053 B11R0.147 COCCC(C)CCCC(C)C 34a_100000015991_200000210301 [0,1,0,0,0,0|0,0,2]=3 1054 B11R0.147 COCCC(C)CCCC(C)C 34a_100138415774_100009816328 [0,1,0,0,0,0|0,0,2]=3 1055 B11R0.147 COCCC(C)CCCC(C)C 7a_100000015991_200000210301 [0,1,0,0,0,0|0,0,2]=3 1056 B11R0.147 COCCC(C)NCC=C(C)C 270004a_100000718196_100000742357 [0,1,0,0,0,0|1,0,0]=2 1057 B11R0.147 COCCC(C)NCCC(C)C 270004a_100000210545_100000742357 [0,1,0,0,0,0|1,0,2]=4 1058 B11R0.147 COCCC(C)NCCN(C)C 270004a_100000210585_100000742357 [0,1,0,0,0,0|2,0,1]=4 1059 B11R0.147 COCCN(C)CCC=C(C)C 2230a_100000743101_100011217483 [0,1,0,0,0,0|1,0,0]=2 1060 B11R0.147 COCCN(C)CCC=C(C)C 269982a_100000743101_100011217483 [0,1,0,0,0,0|1,0,0]=2 1061 B11R0.147 COCCN(C)CCC=C(F)F 2230a_100000743101_200009816681 [0,1,0,0,0,0|3,0,0]=4 1062 B11R0.147 COCCN(C)CCC=C(F)F 269982a_100000743101_200009816681 [0,1,0,0,0,0|3,0,0]=4 1063 B11R0.147 COCCN(C)CCCC(=O)C 269982a_100000743101_100011215641 [0,1,0,0,0,0|2,0,1]=4 1064 B11R0.147 COCCN(C)CCCC(C)C 2230a_100000743101_100011214892 [0,1,0,0,0,0|1,0,2]=4 1065 B11R0.147 COCCN(C)CCCC(C)C 269982a_100000743101_100011214892 [0,1,0,0,0,0|1,0,2]=4 1066 B11R0.147 COCCN(C)CCCN(C)C 269982a_100000225831_100000233755 [0,1,0,0,0,0|2,0,1]=4 1067 B11R0.147 COCCN(C)CCCN(C)C 269982a_100000743101_100000757444 [0,1,0,0,0,0|2,0,1]=4 1068 B11R0.147 COCCN(C)CCNC(=O)C 2230a_100000743101_100000189650 [0,1,0,0,0,0|3,0,0]=4 1069 B11R0.147 COCCN(C)CCNC(=O)C 269982a_100000743101_100000189650 [0,1,0,0,0,0|3,0,0]=4 1070 B11R0.147 COCCN(C)CCOC(=O)C 269982a_100000743101_100009814007 [0,1,0,0,0,0|3,0,0]=4 1071 B11R0.147 COCCN(C)CCOC(C)C 2230a_100000743101_100000211751 [0,1,0,0,0,0|2,0,1]=4 1072 B11R0.147 COCCN(C)CCOC(C)C 269982a_100000743101_100000211751 [0,1,0,0,0,0|2,0,1]=4 1073 B11R0.147 COCCN(C)CCSC(C)C 2230a_100000743101_100000730970 [0,1,0,0,0,0|2,0,1]=4 1074 B11R0.147 COCCN(C)CCSC(C)C 269982a_100000743101_100000730970 [0,1,0,0,0,0|2,0,1]=4 1075 B11R0.147 COCNC(C)CCCC(C)C 2230a_100000210607_100000766300 [0,1,0,0,0,0|1,0,2]=4 1076 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_200000210301 [0,1,0,0,0,0|0,1,2]=4 1077 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_200000210301_100016991246 [0,1,0,0,0,0|0,1,2]=4 1078 B11R0.147 CSCCC(=O)CCC=C(C)C 1458a_100000174002_100011217483 [0,1,0,0,0,0|1,1,1]=4 1079 B11R0.147 CSCCC(C)CCC=C(C)C 62a_100009814015_200000210301 [0,1,0,0,0,0|0,1,0]=2 1080 B11R0.147 CSCCC(C)CCC=C(C)C 62a_200000210301_100009814015 [0,1,0,0,0,0|0,1,0]=2 1081 B11R0.147 CSCCC(C)CCCC(C)C 62a_100009816328_200000210301 [0,1,0,0,0,0|0,1,2]=4 1082 B11R0.147 CSCCC(C)CCCC(C)C 62a_200000210301_100009816328 [0,1,0,0,0,0|0,1,2]=4 1083 B11R0.147 CSCCC(C)NCC=C(C)C 270004a_100000718196_100011217047 [0,1,0,0,0,0|1,1,0]=3 1084 B11R0.147 CSCCN(C)CCC=C(C)C 2230a_100000686725_100011217483 [0,1,0,0,0,0|1,1,0]=3 1085 B11R0.147 CSCCN(C)CCC=C(C)C 269982a_100000686725_100011217483 [0,1,0,0,0,0|1,1,0]=3 1086 B11R0.147 CSCOC(C)CCC=C(C)C 34a_100102619829_100011218213 [0,1,0,0,0,0|1,1,0]=3 1087 B11R0.174 C#C/C(=C\COC(C)CCC)/C 34a_100016990848_100000766640 [0,1,0,0,0,0|2,0,1]=4 1088 B11R0.174 C#C/C(=C\COC(C)CCO)/C 34a_100016990848_100009893172 [0,1,0,0,0,0|1,0,1]=3 1089 B11R0.174 CC(CO)CCNC(C)CCO 2230a_106354213184_100009893172 [0,1,0,0,0,0|1,0,2]=4 1090 B11R0.174 CC(CO)CCNC(C)CCO 34a_106354213184_100009893172 [0,1,0,0,0,0|1,0,2]=4 1091 B11R0.174 CCC(C)CCNC(C)CCO 2230a_100020591266_100009893172 [0,1,0,0,0,0|1,0,2]=4 1092 B11R0.174 CCC(C)CCOC(C)CCO 7a_100011215188_100009893172 [0,1,0,0,0,0|1,0,2]=4 1093 B11R0.174 CCCC(C)CCOC(C)CC 34a_100011217855_100011215416 [0,1,0,0,0,0|2,0,1]=4 1094 B11R0.174 CCCC(C)CCOC(C)CC 7a_100011217855_100000758301 [0,1,0,0,0,0|2,0,1]=4 1095 B11R0.174 CCCC(C)CCOC(C)CO 34a_100011217855_100012180447 [0,1,0,0,0,0|2,0,1]=4 1096 B11R0.174 CCCC(C)CCOC(C)CO 7a_100011217855_100012180447 [0,1,0,0,0,0|2,0,1]=4 1097 B11R0.174 CCN(C)CCCN(C)CCO 2230a_100000210263_100015186262 [0,1,0,0,0,0|2,0,1]=4 1098 B11R0.174 CCN(C)CCCN(C)CCO 269982a_100000210263_100015186262 [0,1,0,0,0,0|2,0,1]=4 1099 B11R0.174 CNC(=O)CCCN(C)CCO 2230a_100000210263_100000741757 [0,1,0,0,0,0|2,0,1]=4 1100 B11R0.174 CNC(=O)CCCN(C)CCO 269982a_100000210263_100000741757 [0,1,0,0,0,0|2,0,1]=4 1101 B11R0.174 CNC(=O)CCNC(C)CCO 2230a_100000738227_100009893172 [0,1,0,0,0,0|2,0,1]=4 1102 B11R0.174 CNC(=O)CCNC(C)CCO 34a_100000738227_100009893172 [0,1,0,0,0,0|2,0,1]=4 1103 B11R0.174 CNC(=O)CCN[C@H](C)CCO 2230a_100000706166_100000737683 [0,1,0,0,0,0|2,0,1]=4 1104 B11R0.174 CNC(=O)CCN[C@H](C)CCO 34a_100000706166_100012179268 [0,1,0,0,0,0|2,0,1]=4 1105 B11R0.174 CNC(=O)CCOC(C)CCO 34a_100000754576_100009893172 [0,1,0,0,0,0|2,0,1]=4 1106 B11R0.174 CNC(=O)CCSC(C)CCO 62a_100000737683_100009893172 [0,1,0,0,0,0|2,0,1]=4 1107 B11R0.174 CNC(=O)CCSC(C)CCO 62a_100009893172_100000737683 [0,1,0,0,0,0|2,0,1]=4 1108 B11R0.174 CNC(=O)OCCN(C)CCO 269982a_100000210263_200011997002 [0,1,0,0,0,0|3,0,0]=4 1109 B11R0.174 COC(=O)/C=C/CN(C)CCO 2230a_100000210263_100000742655 [0,1,0,0,0,0|2,0,1]=4 1110 B11R0.174 COC(=O)/C=C/CN(C)CCO 269982a_100000210263_100000742655 [0,1,0,0,0,0|2,0,1]=4 1111 B11R0.174 COC(=O)CCCN(C)CCO 2230a_100000210263_100011218270 [0,1,0,0,0,0|2,0,1]=4 1112 B11R0.174 COC(=O)CCCN(C)CCO 269982a_100000210263_100011218270 [0,1,0,0,0,0|2,0,1]=4 1113 B11R0.174 COC(=O)CCCN(C)CCO 269982a_100000739225_100000211926 [0,1,0,0,0,0|2,0,1]=4 1114 B11R0.174 COC(=O)CCN[C@H](C)CCO 2230a_100000706166_100000204255 [0,1,0,0,0,0|2,0,1]=4 1115 B11R0.174 COC(=O)CCN[C@H](C)CCO 34a_100000706166_100000742370 [0,1,0,0,0,0|2,0,1]=4 1116 B11R0.174 COC(=O)CCSC(C)CCO 62a_100000204255_100009893172 [0,1,0,0,0,0|2,0,1]=4 1117 B11R0.174 COC(=O)CCSC(C)CCO 62a_100009893172_100000204255 [0,1,0,0,0,0|2,0,1]=4 1118 B11R0.174 COC(=O)OCSC(C)CCO 62a_100009893172_100000139417 [0,1,0,0,0,0|3,0,0]=4 1119 B11R0.174 COC(C)CCOC(C)CCO 7a_100000764861_100009893172 [0,1,0,0,0,0|1,0,2]=4 1120 B11R0.180 CC(CCO)NCCC(C)(C)C 2230a_100000738805_100009893172 [0,1,0,0,0,0|1,0,2]=4 1121 B11R0.180 CC(CCO)NCCC(C)(C)F 2230a_100016253952_100009893172 [0,1,0,0,0,0|1,0,2]=4 1122 B11R0.180 CC(CCO)OCCC(C)(C)C 7a_100000765024_100009893172 [0,1,0,0,0,0|1,0,2]=4 1123 B11R0.180 CC(CCO)OCC[N+](C)(C)C 7a_200020618287_100009893172 [0,1,0,0,0,0|2,0,1]=4 1124 B11R0.180 CC(CCO)OCC[Si](C)(C)C 7a_100000039746_100009893172 [0,1,0,0,0,0|1,1,1]=4 1125 B11R0.180 CC(CCO)SCCC(C)(C)C 62a_100000755188_100009893172 [0,1,0,0,0,0|1,0,2]=4 1126 B11R0.180 CC(CCO)SCCC(C)(C)C 62a_100009893172_100000755188 [0,1,0,0,0,0|1,0,2]=4 1127 B11R0.180 CC(CCO)SCCC(C)(C)O 62a_100000702414_100009893172 [0,1,0,0,0,0|1,0,2]=4 1128 B11R0.180 CC(CCO)SCCC(C)(C)O 62a_100009893172_100000702414 [0,1,0,0,0,0|1,0,2]=4 1129 B11R0.180 CC(CCO)SCC[N+](C)(C)C 62a_100000085578_100009893172 [0,1,0,0,0,0|2,0,1]=4 1130 B11R0.180 CC(CCO)SCC[N+](C)(C)C 62a_100009893172_100000085578 [0,1,0,0,0,0|2,0,1]=4 1131 B11R0.180 CC(CCO)SCC[Si](C)(C)C 62a_100009893172_200000733723 [0,1,0,0,0,0|1,1,1]=4 1132 B11R0.180 CC(CCO)SCC[Si](C)(C)C 62a_200000733723_100009893172 [0,1,0,0,0,0|1,1,1]=4 1133 B11R0.180 CCCC(C)CCOC(C)(C)C 34a_100011217855_100000210625 [0,1,0,0,0,0|2,0,1]=4 1134 B11R0.180 CN(CCO)CCCC(C)(C)O 2230a_100000210263_100009888830 [0,1,0,0,0,0|1,0,2]=4 1135 B11R0.180 CN(CCO)CCCC(C)(C)O 269982a_100000210263_100009888830 [0,1,0,0,0,0|1,0,2]=4 1136 B11R0.180 CN(CCO)CCC[N+](C)(C)C 2230a_100000210263_100016990835 [0,1,0,0,0,0|2,0,1]=4 1137 B11R0.180 CN(CCO)CCC[N+](C)(C)C 269982a_100000210263_100016990835 [0,1,0,0,0,0|2,0,1]=4 1138 B11R0.180 CN(CCO)CCC[Si](C)(C)C 2230a_100000210263_100011219597 [0,1,0,0,0,0|1,1,1]=4 1139 B11R0.180 CN(CCO)CCC[Si](C)(C)C 269982a_100000210263_100011219597 [0,1,0,0,0,0|1,1,1]=4 1140 B11R0.180 CN(CCO)CCOC(C)(C)C 2230a_100000690421_100000211926 [0,1,0,0,0,0|2,0,1]=4 1141 B11R0.180 CN(CCO)CCOC(C)(C)C 269982a_100000690421_100000211926 [0,1,0,0,0,0|2,0,1]=4 1142 B11R0.180 CN(CCO)CCO[Si](C)(C)C 2230a_100000210263_200000032530 [0,1,0,0,0,0|2,1,0]=4 1143 B11R0.180 C[C@H](CCO)NCCC(C)(C)C 2230a_100000706166_100000755188 [0,1,0,0,0,0|1,0,2]=4 1144 B11R0.180 C[C@H](CCO)NCCC(C)(C)C 34a_100000706166_100000755188 [0,1,0,0,0,0|1,0,2]=4 1145 B11R0.180 C[C@H](CCO)NCCC(C)(C)O 2230a_100000706166_100000702414 [0,1,0,0,0,0|1,0,2]=4 1146 B11R0.180 C[C@H](CCO)NCCC(C)(C)O 34a_100000706166_100000702414 [0,1,0,0,0,0|1,0,2]=4 1147 B11R0.180 C[C@H](CCO)NCC[N+](C)(C)C 34a_100000706166_100000085578 [0,1,0,0,0,0|2,0,1]=4 1148 B11R0.180 C[C@H](CCO)NCC[Si](C)(C)C 2230a_100000706166_200000733723 [0,1,0,0,0,0|1,1,1]=4 1149 B11R0.180 C[C@H](CCO)NCC[Si](C)(C)C 34a_100000706166_200000733723 [0,1,0,0,0,0|1,1,1]=4 1150 B11R1.15 CC(CCO)N1CC[C@H](C1)C 2230a_100016987628_100009893172 [0,0,0,1,0,0|1,0,2]=4 1151 B11R1.15 CC(CCO)N1CC[C@H](C1)C 269982a_100016987628_100009893172 [0,0,0,1,0,0|1,0,2]=4 1152 B11R1.15 CC(CCO)N1CC[C@H](C1)C 34a_100016987628_100009893172 [0,0,0,1,0,0|1,0,2]=4 1153 B11R1.15 CC(CCO)N1CNC(=O)C1 2230a_200000708111_100009893172 [0,0,0,1,0,0|3,0,0]=4 1154 B11R1.15 CC1CCC(C1)N(C)CCO 270004a_100000210263_100011215218 [0,0,0,1,0,0|1,0,2]=4 1155 B11R1.15 CN1CCC(C1)N(C)CCO 2230a_103436538152_100000211926 [0,0,0,1,0,0|2,0,1]=4 1156 B11R1.15 CN1CCC(C1)N(C)CCO 269982a_100000210263_200012183744 [0,0,0,1,0,0|2,0,1]=4 1157 B11R1.15 CN1CCC(C1)N(C)CCO 269982a_103436538152_100000211926 [0,0,0,1,0,0|2,0,1]=4 1158 B11R1.90 CC(=CCN1CCC[C@@H]1C)C 2230a_100020605311_100000761012 [0,0,0,1,0,0|2,0,0]=3 1159 B11R1.90 CC(=CCN1CCC[C@@H]1C)C 269982a_100020605311_100000761012 [0,0,0,1,0,0|2,0,0]=3 1160 B11R1.90 CC(=CCN1CCC[C@H]1C)C 2230a_100015189458_100000761012 [0,0,0,1,0,0|2,0,0]=3 1161 B11R1.90 CC(=CCN1CCC[C@H]1C)C 269982a_100015189458_100000761012 [0,0,0,1,0,0|2,0,0]=3 1162 B11R1.90 CC(=CCN1CCC[C@H]1C)C 34a_100015189458_100000761012 [0,0,0,1,0,0|2,0,0]=3 1163 B11R1.90 CC(=CCN1CCSC1C)C 2230a_200011216479_100000761012 [0,0,0,1,0,0|3,0,0]=4 1164 B11R1.90 CC(=CCN1CCSC1C)C 269982a_200011216479_100000761012 [0,0,0,1,0,0|3,0,0]=4 1165 B11R1.90 CC(=CCN1CCSC1C)C 34a_200011216479_100000761012 [0,0,0,1,0,0|3,0,0]=4 1166 B11R1.120 CC(=O)OC1CN(C1)CCO 269982a_100016994906_100000211926 [0,0,0,1,0,0|3,0,0]=4 1167 B11R1.120 CC(C)CC1CN(C1)CCO 2230a_214813039686_100000211926 [0,0,0,1,0,0|1,0,2]=4 1168 B11R1.120 CC(C)CC1CN(C1)CCO 269982a_214813039686_100000211926 [0,0,0,1,0,0|1,0,2]=4 1169 B11R1.120 CC(C)CC1CN(C1)CCO 34a_214813039686_100000211926 [0,0,0,1,0,0|1,0,2]=4 1170 B11R1.120 CC(C)OC1CN(C1)CCO 2230a_100000698322_100000211926 [0,0,0,1,0,0|2,0,1]=4 1171 B11R1.120 CC(C)OC1CN(C1)CCO 269982a_100000698322_100000211926 [0,0,0,1,0,0|2,0,1]=4 1172 B11R1.120 CC(C)OC1CN(C1)CCO 34a_100000698322_100000211926 [0,0,0,1,0,0|2,0,1]=4 1173 B11R1.120 CN(C)CC1CN(C1)CCO 269982a_100015199603_100000211926 [0,0,0,1,0,0|2,0,1]=4 1174 B11R1.124 CC(=O)N1CCC(C1)CCO 240690a_100016987287_100015343762 [0,0,0,1,0,0|2,0,0]=3 1175 B11R1.124 CC(=O)N1CCC(C1)CCO 527a_100016987287_100103153847 [0,0,0,1,0,0|2,0,0]=3 1176 B11R1.124 CC(C)N1CCC(C1)CCO 2230a_100016987287_100000210206 [0,0,0,1,0,0|1,0,1]=3 1177 B11R1.124 CC(C)N1CCC(C1)CCO 269982a_100016987287_100000210206 [0,0,0,1,0,0|1,0,1]=3 1178 B11R1.124 CC(C)N1CCC(C1)CCO 34a_100016987287_100000210206 [0,0,0,1,0,0|1,0,1]=3 1179 B11R1.124 CCCC1CCC(C1)N(C)C 270004a_100102631434_200012087856 [0,0,0,1,0,0|2,0,1]=4 1180 B11R1.124 CN(C)[C@H]1CCN(C1)CCO 2230a_100016988096_100000211926 [0,0,0,1,0,0|2,0,1]=4 1181 B11R1.124 CN(C)[C@H]1CCN(C1)CCO 269982a_100016988096_100000211926 [0,0,0,1,0,0|2,0,1]=4 1182 B11R1.135 CC1CCCN(CC1)CCO 2230a_100025706717_100000211926 [0,0,0,1,0,0|1,0,2]=4 1183 B11R1.135 CC1CCCN(CC1)CCO 269982a_100025706717_100000211926 [0,0,0,1,0,0|1,0,2]=4 1184 B11R1.135 CC1CCCN(CC1)CCO 34a_100025706717_100000211926 [0,0,0,1,0,0|1,0,2]=4 1185 B11R1.135 CN1CCCN(CC1)CCO 2230a_100000211313_100000211926 [0,0,0,1,0,0|2,0,1]=4 1186 B11R1.135 CN1CCCN(CC1)CCO 269982a_100000211313_100000211926 [0,0,0,1,0,0|2,0,1]=4 1187 B11R1.135 CN1CCCN(CC1)CCO 269982a_100000752306_200000210301 [0,0,0,1,0,0|2,0,1]=4 1188 B11R1.135 O=C1CCN(CCN1)CCO 2230a_100000698595_100000211926 [0,0,0,1,0,0|3,0,0]=4 1189 B11R1.135 O=C1CCN(CCN1)CCO 269982a_100000698595_100000211926 [0,0,0,1,0,0|3,0,0]=4 1190 B11R1.135 [13CH3]N1CCCN(CC1)CCO 269982a_100000752306_200025704644 [0,0,0,1,0,0|2,0,1]=4 1191 B11R1.154 C=C(C)CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000730704 [0,0,0,1,0,0|1,0,2]=4 1192 B11R1.154 C=C(C)CNCC1CC(C1)O 2230a_100016992100_100000748629 [0,0,0,1,0,0|1,0,2]=4 1193 B11R1.154 C=C1CC(C1)NCC=C(C)C 2230a_100132301982_100000761012 [0,0,0,1,0,0|2,0,1]=4 1194 B11R1.154 CC(=CCCN1CC(C1)C)C 2230a_100000702820_100011217483 [0,0,0,1,0,0|2,0,0]=3 1195 B11R1.154 CC(=CCCN1CC(C1)C)C 269982a_100000702820_100011217483 [0,0,0,1,0,0|2,0,0]=3 1196 B11R1.154 CC(=CCCN1CC(C1)C)C 34a_100000702820_100011217483 [0,0,0,1,0,0|2,0,0]=3 1197 B11R1.154 CC(=CCCN1CC(C1)F)C 2230a_100000690557_100011217483 [0,0,0,1,0,0|2,0,0]=3 1198 B11R1.154 CC(=CCCN1CC(C1)F)C 269982a_100000690557_100011217483 [0,0,0,1,0,0|2,0,0]=3 1199 B11R1.154 CC(=CCCN1CC(C1)F)C 34a_100000690557_100011217483 [0,0,0,1,0,0|2,0,0]=3 1200 B11R1.154 CC(=CCCN1CC(C1)O)C 269982a_100000749847_100011217483 [0,0,0,1,0,0|1,0,0]=2 1201 B11R1.154 CC(=CCNC1CC(C1)F)C 2230a_100016993743_100000761012 [0,0,0,1,0,0|2,0,0]=3 1202 B11R1.154 CC(=CCN[C@H]1C[C@@H](C1)O)C 2230a_100020629032_100000761012 [0,0,0,1,0,0|1,0,0]=2 1203 B11R1.154 CC(=CCSC1CC(=O)C1)C 62a_100009894365_100000761012 [0,0,0,1,0,0|1,0,2]=4 1204 B11R1.154 CC(=O)CCCN1CC(C1)O 269982a_100000749847_100011215641 [0,0,0,1,0,0|2,0,1]=4 1205 B11R1.154 CC(=O)NCCN1CC(C1)O 269982a_100000749847_100000189650 [0,0,0,1,0,0|3,0,0]=4 1206 B11R1.154 CC(=O)OCCN1CC(C1)O 269982a_100000749847_100009814007 [0,0,0,1,0,0|3,0,0]=4 1207 B11R1.154 CC(C)CCCN1CC(C1)O 269982a_100000749847_100011214892 [0,0,0,1,0,0|1,0,2]=4 1208 B11R1.154 CC(C)CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210312 [0,0,0,1,0,0|1,0,2]=4 1209 B11R1.154 CC(C)CCN[C@H]1C[C@@H](C1)O 269862a_100020629032_100000185833 [0,0,0,1,0,0|1,0,2]=4 1210 B11R1.154 CC(C)CNCC1CC(C1)O 2230a_100016992100_100000210760 [0,0,0,1,0,0|1,0,2]=4 1211 B11R1.154 CC(C)CNCC1CC(C1)O 270004a_100016992100_100000210432 [0,0,0,1,0,0|1,0,2]=4 1212 B11R1.154 CC(C)OCCN1CC(C1)O 269982a_100000749847_100000211751 [0,0,0,1,0,0|2,0,1]=4 1213 B11R1.154 CC(C)OCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000709892 [0,0,0,1,0,0|2,0,1]=4 1214 B11R1.154 CC(C)SCCN1CC(C1)O 269982a_100000749847_100000730970 [0,0,0,1,0,0|2,0,1]=4 1215 B11R1.154 CN(C)CCCN1CC(C1)O 269982a_100000749847_100000757444 [0,0,0,1,0,0|2,0,1]=4 1216 B11R1.154 OC1CN(C1)CCC=C(F)F 269982a_100000749847_200009816681 [0,0,0,1,0,0|3,0,0]=4 1217 B11R1.157 CC(=O)CC1CCCC(C1)C 1458a_100000748788_200000210301 [0,0,0,1,0,0|2,0,1]=4 1218 B11R1.157 CC(=O)NC1CCCC(C1)C 11a_100011194320_100015343762 [0,0,0,1,0,0|3,0,0]=4 1219 B11R1.157 CC(=O)NC1CCCC(C1)C 1626a_100011194320_100015343762 [0,0,0,1,0,0|3,0,0]=4 1220 B11R1.157 CC(=O)NC1CCCC(C1)C 240690a_100011194320_100015343762 [0,0,0,1,0,0|3,0,0]=4 1221 B11R1.157 CC(=O)NC1CCCC(C1)C 527a_100011194320_100103153847 [0,0,0,1,0,0|3,0,0]=4 1222 B11R1.157 CC1CCCC(C1)CC(=O)[13CH3] 1458a_100000748788_200025704644 [0,0,0,1,0,0|2,0,1]=4 1223 B11R1.157 CC1CCCC(C1)NC(C)C 2230a_100011194320_100000210206 [0,0,0,1,0,0|2,0,1]=4 1224 B11R1.157 CC1CCCC(C1)NC(C)C 34a_100011194320_100000210206 [0,0,0,1,0,0|2,0,1]=4 1225 B11R1.157 CC1CCCC(C1)OC(C)C 34a_100000211399_100000210206 [0,0,0,1,0,0|2,0,1]=4 1226 B11R1.157 CN(C)CC1CN(CCO1)C 2230a_100000752868_200000210301 [0,0,0,1,0,0|2,0,1]=4 1227 B11R1.157 CN(C)CC1CN(CCO1)C 269982a_100000752868_200000210301 [0,0,0,1,0,0|2,0,1]=4 1228 B11R1.157 CN(C)CC1CN(CCO1)[13CH3] 2230a_100000752868_200025704644 [0,0,0,1,0,0|2,0,1]=4 1229 B11R1.157 CN(C)CC1CN(CCO1)[13CH3] 269982a_100000752868_200025704644 [0,0,0,1,0,0|2,0,1]=4 1230 B11R1.172 C=C(C)C=NNC1CCOC1 4a_100000690549_100000210575 [0,0,0,1,0,0|2,0,1]=4 1231 B11R1.172 C=C(C)CCN[C@@H]1CCOC1 2230a_200015188469_100000730704 [0,0,0,1,0,0|1,0,2]=4 1232 B11R1.172 C=C(C)CCN[C@H]1CCOC1 2230a_100015188467_100000730704 [0,0,0,1,0,0|1,0,2]=4 1233 B11R1.172 C=C(C)CCN[C@H]1CCOC1 34a_100015188467_100000730704 [0,0,0,1,0,0|1,0,2]=4 1234 B11R1.172 C=C(C)CCOC1CCOC1 34a_100000764851_100000690089 [0,0,0,1,0,0|1,0,2]=4 1235 B11R1.172 C=C(C)CCO[C@H]1CCOC1 34a_100000717292_100000730704 [0,0,0,1,0,0|1,0,2]=4 1236 B11R1.172 C=C(C)CCSC1CCOC1 62a_100000730704_100000690089 [0,0,0,1,0,0|1,0,2]=4 1237 B11R1.172 C=C(C)CNCC1CCOC1 2230a_100000737293_100000748629 [0,0,0,1,0,0|1,0,2]=4 1238 B11R1.172 C=C(C)CNCC1CCOC1 34a_100000737293_100000748629 [0,0,0,1,0,0|1,0,2]=4 1239 B11R1.172 C=C(C)COCC1CCOC1 34a_100000210245_100011261433 [0,0,0,1,0,0|1,0,2]=4 1240 B11R1.172 C=C(C)COCC1CCOC1 34a_100000740260_100000748629 [0,0,0,1,0,0|1,0,2]=4 1241 B11R1.172 C=C(C)CSCC1CCOC1 62a_100000702531_100000211660 [0,0,0,1,0,0|1,0,2]=4 1242 B11R1.172 C=C(C)CSCC1CCOC1 62a_100000748629_100000702531 [0,0,0,1,0,0|1,0,2]=4 1243 B11R1.172 CC(=CCCN1CC=CC1)C 269982a_100015195280_100011217483 [0,0,0,1,0,0|2,0,1]=4 1244 B11R1.172 CC(=CCCN1CCCC1)C 2230a_100000188435_100011217483 [0,0,0,1,0,0|2,0,0]=3 1245 B11R1.172 CC(=CCCN1CCCC1)C 269982a_100000188435_100011217483 [0,0,0,1,0,0|2,0,0]=3 1246 B11R1.172 CC(=CCCN1CCSC1)C 2230a_100011215254_100011217483 [0,0,0,1,0,0|1,1,0]=3 1247 B11R1.172 CC(=CCCN1CCSC1)C 269982a_100011215254_100011217483 [0,0,0,1,0,0|1,1,0]=3 1248 B11R1.172 CC(=CCNC1CC=CC1)C 2230a_100015188752_100000761012 [0,0,0,1,0,0|2,0,1]=4 1249 B11R1.172 CC(=CCNC1CCCC1)C 2230a_100000211070_100000761012 [0,0,0,1,0,0|2,0,0]=3 1250 B11R1.172 CC(=CCNC1CCCC1)C 270004a_100000718196_100000210133 [0,0,0,1,0,0|2,0,0]=3 1251 B11R1.172 CC(=CCNC1CCCC1)C 34a_100000211070_100000761012 [0,0,0,1,0,0|2,0,0]=3 1252 B11R1.172 CC(=CCNC1CCCC1)C 34a_100000718196_100000179811 [0,0,0,1,0,0|2,0,0]=3 1253 B11R1.172 CC(=CCNC1CCOC1)C 270004a_100000718196_100000752484 [0,0,0,1,0,0|1,0,0]=2 1254 B11R1.172 CC(=CCNC1CCOC1)C 34a_100000718196_100000690089 [0,0,0,1,0,0|1,0,0]=2 1255 B11R1.172 CC(=CCNC1CCSC1)C 270004a_100000718196_100000212027 [0,0,0,1,0,0|1,1,0]=3 1256 B11R1.172 CC(=CCN[C@@H]1CCOC1)C 2230a_200015188469_100000761012 [0,0,0,1,0,0|1,0,0]=2 1257 B11R1.172 CC(=CCN[C@H]1CCOC1)C 2230a_100015188467_100000761012 [0,0,0,1,0,0|1,0,0]=2 1258 B11R1.172 CC(=CCN[C@H]1CCOC1)C 34a_100015188467_100000761012 [0,0,0,1,0,0|1,0,0]=2 1259 B11R1.172 CC(=CCOC1CCCC1)C 34a_100000210269_100000761012 [0,0,0,1,0,0|2,0,0]=3 1260 B11R1.172 CC(=CCOC1CCCC1)C 34a_100000753907_100000179811 [0,0,0,1,0,0|2,0,0]=3 1261 B11R1.172 CC(=CCOC1CCCC1)C 7a_100000210269_100000761012 [0,0,0,1,0,0|2,0,0]=3 1262 B11R1.172 CC(=CCOC1CCCO1)C 34a_100000085407_100000761012 [0,0,0,1,0,0|3,0,0]=4 1263 B11R1.172 CC(=CCOC1CCOC1)C 34a_100000753907_100000690089 [0,0,0,1,0,0|1,0,0]=2 1264 B11R1.172 CC(=CCOC1CCSC1)C 7a_100011232664_100000761012 [0,0,0,1,0,0|1,1,0]=3 1265 B11R1.172 CC(=CCO[C@H]1CCOC1)C 34a_100000717292_100000761012 [0,0,0,1,0,0|1,0,0]=2 1266 B11R1.172 CC(=CCSC1CCCC1)C 62a_100000761012_100000179811 [0,0,0,1,0,0|2,0,0]=3 1267 B11R1.172 CC(=CCSC1CCCC1)C 62a_100011217020_100000761012 [0,0,0,1,0,0|2,0,0]=3 1268 B11R1.172 CC(=CCSC1CCOC1)C 62a_100000761012_100000690089 [0,0,0,1,0,0|1,0,0]=2 1269 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [0,0,0,1,0,0|2,0,1]=4 1270 B11R1.172 CC(=O)CCOC1CCOC1 34a_100000759926_100000690089 [0,0,0,1,0,0|2,0,1]=4 1271 B11R1.172 CC(=O)CCOC1CCOC1 7a_100000759926_100000731011 [0,0,0,1,0,0|2,0,1]=4 1272 B11R1.172 CC(=O)CCSC1CCOC1 62a_100000053229_100000690089 [0,0,0,1,0,0|2,0,1]=4 1273 B11R1.172 CC(=O)COCC1CCOC1 34a_100000211253_100011261433 [0,0,0,1,0,0|2,0,1]=4 1274 B11R1.172 CC(=O)NCCC1CCCC1 11a_100000739158_100015343762 [0,0,0,1,0,0|3,0,0]=4 1275 B11R1.172 CC(=O)NCCC1CCCC1 1626a_100000739158_100015343762 [0,0,0,1,0,0|3,0,0]=4 1276 B11R1.172 CC(=O)NCCC1CCCC1 240690a_100000739158_100015343762 [0,0,0,1,0,0|3,0,0]=4 1277 B11R1.172 CC(=O)NCCC1CCCC1 527a_100000739158_100103153847 [0,0,0,1,0,0|3,0,0]=4 1278 B11R1.172 CC(=O)OCN[C@H]1CCOC1 34a_100015188467_100009813279 [0,0,0,1,0,0|3,0,0]=4 1279 B11R1.172 CC(=O)OCO[C@H]1CCOC1 34a_100000717292_100009813279 [0,0,0,1,0,0|3,0,0]=4 1280 B11R1.172 CC(=O)OCSC1CCOC1 62a_100000076356_100000690089 [0,0,0,1,0,0|3,0,0]=4 1281 B11R1.172 CC(C)C=NNC1CCOC1 4a_100000690549_100000210432 [0,0,0,1,0,0|2,0,1]=4 1282 B11R1.172 CC(C)CCNC1CCOC1 270004a_100000210545_100000752484 [0,0,0,1,0,0|1,0,2]=4 1283 B11R1.172 CC(C)CCN[C@@H]1CCOC1 2230a_200015188469_100000210312 [0,0,0,1,0,0|1,0,2]=4 1284 B11R1.172 CC(C)CCN[C@@H]1CCOC1 269862a_200015188469_100000185833 [0,0,0,1,0,0|1,0,2]=4 1285 B11R1.172 CC(C)CCN[C@H]1CCOC1 2230a_100015188467_100000210312 [0,0,0,1,0,0|1,0,2]=4 1286 B11R1.172 CC(C)CCN[C@H]1CCOC1 269862a_100015188467_100000185833 [0,0,0,1,0,0|1,0,2]=4 1287 B11R1.172 CC(C)CCN[C@H]1CCOC1 34a_100015188467_100000210312 [0,0,0,1,0,0|1,0,2]=4 1288 B11R1.172 CC(C)CCOC1CCOC1 34a_100000210254_100000690089 [0,0,0,1,0,0|1,0,2]=4 1289 B11R1.172 CC(C)CCOC1CCOC1 7a_100000210254_100000731011 [0,0,0,1,0,0|1,0,2]=4 1290 B11R1.172 CC(C)CCO[C@H]1CCOC1 34a_100000717292_100000210312 [0,0,0,1,0,0|1,0,2]=4 1291 B11R1.172 CC(C)CCSC1CCOC1 62a_100000210312_100000690089 [0,0,0,1,0,0|1,0,2]=4 1292 B11R1.172 CC(C)CNCC1CCOC1 2230a_100000210953_100000702531 [0,0,0,1,0,0|1,0,2]=4 1293 B11R1.172 CC(C)CNCC1CCOC1 2230a_100000737293_100000210760 [0,0,0,1,0,0|1,0,2]=4 1294 B11R1.172 CC(C)CNCC1CCOC1 270004a_100000737293_100000210432 [0,0,0,1,0,0|1,0,2]=4 1295 B11R1.172 CC(C)CNCC1CCOC1 34a_100000210953_100011261433 [0,0,0,1,0,0|1,0,2]=4 1296 B11R1.172 CC(C)CNCC1CCOC1 34a_100000737293_100000210624 [0,0,0,1,0,0|1,0,2]=4 1297 B11R1.172 CC(C)COCC1CCOC1 34a_100000210257_100011261433 [0,0,0,1,0,0|1,0,2]=4 1298 B11R1.172 CC(C)COCC1CCOC1 34a_100000740260_100000210624 [0,0,0,1,0,0|1,0,2]=4 1299 B11R1.172 CC(C)CSCC1CCOC1 62a_100000210624_100000702531 [0,0,0,1,0,0|1,0,2]=4 1300 B11R1.172 CC(C)CSCC1CCOC1 62a_100000702531_100000210760 [0,0,0,1,0,0|1,0,2]=4 1301 B11R1.172 CC(C)NCCC1CCCC1 2230a_100000739158_100000210206 [0,0,0,1,0,0|2,0,1]=4 1302 B11R1.172 CC(C)NCCC1CCCC1 2230a_100138425928_100000760354 [0,0,0,1,0,0|2,0,1]=4 1303 B11R1.172 CC(C)NCCC1CCCC1 34a_100000739158_100000210206 [0,0,0,1,0,0|2,0,1]=4 1304 B11R1.172 CC(C)NCCC1CCCC1 34a_100138425928_100000760354 [0,0,0,1,0,0|2,0,1]=4 1305 B11R1.172 CC(C)OCCC1CCCC1 34a_100000212225_100000760354 [0,0,0,1,0,0|2,0,1]=4 1306 B11R1.172 CC(C)OCCC1CCCC1 34a_100000749090_100000210206 [0,0,0,1,0,0|2,0,1]=4 1307 B11R1.172 CC(C)OCCC1CCCC1 7a_100000749090_100000210206 [0,0,0,1,0,0|2,0,1]=4 1308 B11R1.172 CC(C)OCCC1CCNC1 34a_100016987287_100000210206 [0,0,0,1,0,0|2,0,1]=4 1309 B11R1.172 CC(C)OCCC1CCOC1 34a_100011879284_100000210206 [0,0,0,1,0,0|1,0,1]=3 1310 B11R1.172 CC(C)OCN[C@@H]1CCOC1 2230a_200015188469_100000709892 [0,0,0,1,0,0|2,0,1]=4 1311 B11R1.172 CC(C)OCN[C@H]1CCOC1 2230a_100015188467_100000709892 [0,0,0,1,0,0|2,0,1]=4 1312 B11R1.172 CC(C)OCN[C@H]1CCOC1 34a_100015188467_100000709892 [0,0,0,1,0,0|2,0,1]=4 1313 B11R1.172 CC(C)OCO[C@H]1CCOC1 34a_100000717292_100000709892 [0,0,0,1,0,0|2,0,1]=4 1314 B11R1.172 CC(C)OCSC1CCOC1 62a_100000709892_100000690089 [0,0,0,1,0,0|2,0,1]=4 1315 B11R1.172 CC(C)SCCC1CCCC1 62a_100000210206_100000760354 [0,0,0,1,0,0|2,0,1]=4 1316 B11R1.172 CC(C)SCCC1CCCC1 62a_100000760354_100000210206 [0,0,0,1,0,0|2,0,1]=4 1317 B11R1.172 CN(C)CCCC1CCCC1 2230a_100015186261_200000210301 [0,0,0,1,0,0|2,0,1]=4 1318 B11R1.172 CN(C)CCCC1CCCC1 2230a_100102631434_100011713738 [0,0,0,1,0,0|2,0,1]=4 1319 B11R1.172 CN(C)CCCC1CCCC1 269982a_100015186261_200000210301 [0,0,0,1,0,0|2,0,1]=4 1320 B11R1.172 CN(C)CCCC1CCCC1 269982a_100102631434_100011713738 [0,0,0,1,0,0|2,0,1]=4 1321 B11R1.172 CN(C)CCCC1CCCC1 34a_100015186261_200000210301 [0,0,0,1,0,0|2,0,1]=4 1322 B11R1.172 CN(C)CCNC1CCOC1 270004a_100000210585_100000752484 [0,0,0,1,0,0|2,0,1]=4 1323 B11R1.172 CN([13CH3])CCCC1CCCC1 2230a_100015186261_200025704644 [0,0,0,1,0,0|2,0,1]=4 1324 B11R1.172 CN([13CH3])CCCC1CCCC1 269982a_100015186261_200025704644 [0,0,0,1,0,0|2,0,1]=4 1325 B11R1.172 CN([13CH3])CCCC1CCCC1 34a_100015186261_200025704644 [0,0,0,1,0,0|2,0,1]=4 1326 B11R1.201 C=C1CC(C1)NC(C)CCO 2230a_100132301982_100009893172 [0,0,0,1,0,0|1,0,2]=4 1327 B11R1.201 CC(CCO)SC1CC(=O)C1 62a_100009894365_100009893172 [0,0,0,1,0,0|2,0,1]=4 1328 B11R1.201 CN(CCO)CC1CC(=O)C1 2230a_100000210263_100009874392 [0,0,0,1,0,0|2,0,1]=4 1329 B11R1.201 CN(CCO)CC1CC(=O)C1 269982a_100000210263_100009874392 [0,0,0,1,0,0|2,0,1]=4 1330 B11R1.288 CC(CCO)OCC1CC1C 34a_100000744939_100009893172 [0,0,0,1,0,0|1,0,2]=4 1331 B11R1.288 CC(CCO)OCC1CC1C 7a_100000744939_100009893172 [0,0,0,1,0,0|1,0,2]=4 1332 B11R1.290 CC(CCO)NCCC1CC1 34a_100000764129_100009893172 [0,0,0,1,0,0|1,0,2]=4 1333 B11R1.290 CC(CCO)OCCC1CC1 34a_100000754188_100009893172 [0,0,0,1,0,0|1,0,2]=4 1334 B11R1.290 CC(CCO)OCCC1CC1 7a_100000754188_100009893172 [0,0,0,1,0,0|1,0,2]=4 1335 B11R1.290 CC(CCO)SCCC1CC1 62a_100000764125_100009893172 [0,0,0,1,0,0|1,0,2]=4 1336 B11R1.290 CC(CCO)SCCC1CC1 62a_100009893172_100000764125 [0,0,0,1,0,0|1,0,2]=4 1337 B11R1.290 CCCC(C)CCOC1CC1 34a_100011217855_100000211595 [0,0,0,1,0,0|2,0,1]=4 1338 B11R1.290 C[C@H](CCO)NCCC1CC1 2230a_100000706166_100000694398 [0,0,0,1,0,0|1,0,2]=4 1339 B11R1.290 C[C@H](CCO)NCCC1CC1 34a_100000706166_100000694398 [0,0,0,1,0,0|1,0,2]=4 1340 B11R1.342 CC1(CCCN(C1)CCO)C 2230a_100000716857_100000211926 [0,0,0,1,0,0|1,0,2]=4 1341 B11R1.342 CC1(CCCN(C1)CCO)C 269982a_100000716857_100000211926 [0,0,0,1,0,0|1,0,2]=4 1342 B11R1.342 CC1(CCCN(C1)CCO)C 34a_100000716857_100000211926 [0,0,0,1,0,0|1,0,2]=4 1343 B11R1.342 CC1(CN(CCO1)CCO)C 2230a_100000738910_100000211926 [0,0,0,1,0,0|2,0,1]=4 1344 B11R1.342 CC1(CN(CCO1)CCO)C 269982a_100000738910_100000211926 [0,0,0,1,0,0|2,0,1]=4 1345 B11R1.342 CC1(CN(CCO1)CCO)C 34a_100000738910_100000211926 [0,0,0,1,0,0|2,0,1]=4 1346 B11R1.565 CC(=O)N1CCCC(CC1)C 11a_100025706717_100015343762 [0,0,0,1,0,0|3,0,0]=4 1347 B11R1.565 CC(=O)N1CCCC(CC1)C 1626a_100025706717_100015343762 [0,0,0,1,0,0|3,0,0]=4 1348 B11R1.565 CC(=O)N1CCCC(CC1)C 240690a_100025706717_100015343762 [0,0,0,1,0,0|3,0,0]=4 1349 B11R1.565 CC(=O)N1CCCC(CC1)C 527a_100025706717_100103153847 [0,0,0,1,0,0|3,0,0]=4 1350 B11R1.565 CC1CCCN(CC1)C(C)C 2230a_100025706717_100000210206 [0,0,0,1,0,0|2,0,1]=4 1351 B11R1.565 CC1CCCN(CC1)C(C)C 269982a_100025706717_100000210206 [0,0,0,1,0,0|2,0,1]=4 1352 B11R1.565 CC1CCCN(CC1)C(C)C 34a_100025706717_100000210206 [0,0,0,1,0,0|2,0,1]=4 1353 B11R1.720 CC(=CCCC(=O)C1CC1)C 1458a_100000210395_100011217483 [0,0,0,1,0,0|2,0,1]=4 1354 B11R1.720 CC(=CCCC(=O)C1CO1)C 1458a_100000701028_100011217483 [0,0,0,1,0,0|1,0,1]=3 1355 B11R1.720 CC(=CCCN(C)C1CC1)C 2230a_100000226674_100011217483 [0,0,0,1,0,0|2,0,0]=3 1356 B11R1.720 CC(=CCCN(C)C1CC1)C 269982a_100000226674_100011217483 [0,0,0,1,0,0|2,0,0]=3 1357 B11R1.720 CC(=CCNC(=O)C1CO1)C 11a_100000718196_100000701028 [0,0,0,1,0,0|2,0,1]=4 1358 B11R1.720 CC(=CCNC(=O)C1CO1)C 1626a_100000718196_100000701028 [0,0,0,1,0,0|2,0,1]=4 1359 B11R1.720 CC(=CCNC(=O)C1CO1)C 527a_100000718196_100000701028 [0,0,0,1,0,0|2,0,1]=4 1360 B11R1.720 CC(=CCNC(C)C1CC1)C 2230a_100000700016_100000761012 [0,0,0,1,0,0|2,0,0]=3 1361 B11R1.720 CC(=CCNC(C)C1CC1)C 34a_100000700016_100000761012 [0,0,0,1,0,0|2,0,0]=3 1362 B11R1.720 CC(=CCNC(C)C1CO1)C 270004a_100000718196_100000031964 [0,0,0,1,0,0|1,0,0]=2 1363 B11R1.720 CC(=CCOC(C)C1CC1)C 34a_100000744524_100000761012 [0,0,0,1,0,0|2,0,0]=3 1364 B11R1.720 CC(=CCOC(C)C1CC1)C 7a_100000744524_100000761012 [0,0,0,1,0,0|2,0,0]=3 1365 B11R1.720 CC(C)CCNC(C)C1CO1 270004a_100000210545_100000031964 [0,0,0,1,0,0|1,0,2]=4 1366 B11R1.720 CC(NCCN(C)C)C1CO1 270004a_100000210585_100000031964 [0,0,0,1,0,0|2,0,1]=4 1367 B11R1.924 CC(=CCNC1(CCC1)C)C 2230a_100000692455_100000761012 [0,0,0,1,0,0|2,0,0]=3 1368 B11R1.924 CC(=CCNC1(CCC1)C)C 34a_100000692455_100000761012 [0,0,0,1,0,0|2,0,0]=3 1369 B11R1.924 CC(=CCNC1(COC1)C)C 2230a_100000732644_100000761012 [0,0,0,1,0,0|3,0,0]=4 1370 B11R1.924 CC(=CCOC1(CCC1)C)C 34a_100000759064_100000761012 [0,0,0,1,0,0|2,0,0]=3 1371 B11R1.924 CC(=CCOC1(CCC1)C)C 7a_100000759064_100000761012 [0,0,0,1,0,0|2,0,0]=3 1372 B11R1.924 CC(=CCOC1(CSC1)C)C 7a_100016018533_100000761012 [0,0,0,1,0,0|3,0,0]=4 1373 B9R0.48 C#CCN(C)CC=C(C)C 2230a_100000225692_100000761012 [0,0,0,0,1,0|2,0,1]=4 1374 B9R0.48 C#CCN(C)CC=C(C)C 34a_100000225692_100000761012 [0,0,0,0,1,0|2,0,1]=4 1375 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,0,0,0,1,0|1,0,2]=4 1376 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,0,0,0,1,0|1,0,2]=4 1377 B9R0.48 C=C(C)CCC(C)NCC 270004a_100015525214_100011215600 [0,0,0,0,1,0|2,0,1]=4 1378 B9R0.48 C=C(C)CCN(C)CCC 2230a_100000747261_100000730704 [0,0,0,0,1,0|2,0,1]=4 1379 B9R0.48 C=C(C)CCN(C)CCC 269982a_100000747261_100000730704 [0,0,0,0,1,0|2,0,1]=4 1380 B9R0.48 C=C(C)CCN(C)CCO 2230a_100000210263_100000730704 [0,0,0,0,1,0|1,0,1]=3 1381 B9R0.48 C=C(C)CCN(C)CCO 269982a_100000210263_100000730704 [0,0,0,0,1,0|1,0,1]=3 1382 B9R0.48 C=C(C)CNC(C)CCC 2230a_100000741246_100000748629 [0,0,0,0,1,0|2,0,1]=4 1383 B9R0.48 C=C(C)CN[C@H](C)CCO 2230a_100000706166_100000748629 [0,0,0,0,1,0|1,0,1]=3 1384 B9R0.48 C=C(C)CN[C@H](C)CCO 34a_100000706166_100000748629 [0,0,0,0,1,0|1,0,1]=3 1385 B9R0.48 C=C(C)COC(C)CCBr 34a_100012276601_100000748629 [0,0,0,0,1,0|2,0,1]=4 1386 B9R0.48 C=C(C)COC(C)CCC 34a_100000210245_100000766640 [0,0,0,0,1,0|2,0,1]=4 1387 B9R0.48 C=C(C)COC(C)CCC 34a_100000764384_100000748629 [0,0,0,0,1,0|2,0,1]=4 1388 B9R0.48 C=C(C)COC(C)CCC 7a_100000764384_100000748629 [0,0,0,0,1,0|2,0,1]=4 1389 B9R0.48 C=C(C)COC(C)CCO 34a_100000210245_100009893172 [0,0,0,0,1,0|1,0,1]=3 1390 B9R0.48 C=C(C)CSC(C)CCC 62a_100000748629_100000766640 [0,0,0,0,1,0|2,0,1]=4 1391 B9R0.48 C=C(C)CSC(C)CCC 62a_100000766640_100000211660 [0,0,0,0,1,0|2,0,1]=4 1392 B9R0.48 C=C(C)CSC(C)CCO 62a_100000748629_100009893172 [0,0,0,0,1,0|1,0,1]=3 1393 B9R0.48 C=C(C)CSC(C)CCO 62a_100009893172_100000211660 [0,0,0,0,1,0|1,0,1]=3 1394 B9R0.48 C=C(F)CN[C@H](C)CCO 2230a_100000706166_100009893438 [0,0,0,0,1,0|2,0,1]=4 1395 B9R0.48 C=C(F)CN[C@H](C)CCO 34a_100000706166_100009893438 [0,0,0,0,1,0|2,0,1]=4 1396 B9R0.48 C=C(F)COC(C)CCO 34a_200010262243_100009893172 [0,0,0,0,1,0|2,0,1]=4 1397 B9R0.48 C=C(F)CSC(C)CCO 62a_100000042424_100009893172 [0,0,0,0,1,0|2,0,1]=4 1398 B9R0.48 C=C(F)CSC(C)CCO 62a_100009893172_100000042424 [0,0,0,0,1,0|2,0,1]=4 1399 B9R0.48 C=CCN(C)CC=C(C)C 2230a_100000225617_100000761012 [0,0,0,0,1,0|2,0,1]=4 1400 B9R0.48 C=CCN(C)CC=C(C)C 269982a_100000225617_100000761012 [0,0,0,0,1,0|2,0,1]=4 1401 B9R0.48 CC(=CCC(=O)CCF)C 1458a_100011220947_100011217306 [0,0,0,0,1,0|2,0,1]=4 1402 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011216618_100000761012 [0,0,0,0,1,0|1,0,1]=3 1403 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011220947_100000211926 [0,0,0,0,1,0|1,0,1]=3 1404 B9R0.48 CC(=CCN(C)CC#N)C 2230a_100000748184_100000761012 [0,0,0,0,1,0|2,0,1]=4 1405 B9R0.48 CC(=CCN(C)CCO)C 2230a_100000210263_100000761012 [0,0,0,0,1,0|1,0,0]=2 1406 B9R0.48 CC(=CCN(C)CCO)C 269982a_100000210263_100000761012 [0,0,0,0,1,0|1,0,0]=2 1407 B9R0.48 CC(=O)CCN(C)CCO 269982a_100000210263_100000053229 [0,0,0,0,1,0|2,0,0]=3 1408 B9R0.48 CC(=O)COC(C)CCO 34a_100000211253_100009893172 [0,0,0,0,1,0|2,0,0]=3 1409 B9R0.48 CC(=O)OCN(C)CCO 269982a_100000210263_100000076356 [0,0,0,0,1,0|3,0,0]=4 1410 B9R0.48 CC(Br)COC(C)CCO 34a_100012180447_100009893172 [0,0,0,0,1,0|2,0,1]=4 1411 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,0,0,0,1,0|1,0,2]=4 1412 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,0,0,0,1,0|1,0,2]=4 1413 B9R0.48 CC(C)CCC(C)OCF 34a_100011215350_100015361967 [0,0,0,0,1,0|2,0,1]=4 1414 B9R0.48 CC(C)CCC(C)OCF 7a_100011215350_100015361967 [0,0,0,0,1,0|2,0,1]=4 1415 B9R0.48 CC(C)CCC(C)SCF 62a_100011261404_100015361967 [0,0,0,0,1,0|2,0,1]=4 1416 B9R0.48 CC(C)CCC(C)SCF 62a_100015361967_100011261404 [0,0,0,0,1,0|2,0,1]=4 1417 B9R0.48 CC(C)CCN(C)CCF 2230a_100000742789_100011217306 [0,0,0,0,1,0|2,0,1]=4 1418 B9R0.48 CC(C)CCN(C)CCF 269982a_100000742789_100011217306 [0,0,0,0,1,0|2,0,1]=4 1419 B9R0.48 CC(C)CCN(C)CCO 2230a_100000210263_100000210312 [0,0,0,0,1,0|1,0,1]=3 1420 B9R0.48 CC(C)CCN(C)CCO 2230a_100000742789_100000211926 [0,0,0,0,1,0|1,0,1]=3 1421 B9R0.48 CC(C)CCN(C)CCO 269982a_100000210263_100000210312 [0,0,0,0,1,0|1,0,1]=3 1422 B9R0.48 CC(C)CCN(C)CCO 269982a_100000742789_100000211926 [0,0,0,0,1,0|1,0,1]=3 1423 B9R0.48 CC(C)CNC(C)CCO 2230a_100000210953_100009893172 [0,0,0,0,1,0|1,0,1]=3 1424 B9R0.48 CC(C)CNC(C)CCO 34a_100000210953_100009893172 [0,0,0,0,1,0|1,0,1]=3 1425 B9R0.48 CC(C)CN[C@H](C)CCO 2230a_100000706166_100000210760 [0,0,0,0,1,0|1,0,1]=3 1426 B9R0.48 CC(C)CN[C@H](C)CCO 270004a_100000706166_100000210432 [0,0,0,0,1,0|1,0,1]=3 1427 B9R0.48 CC(C)CN[C@H](C)CCO 34a_100000706166_100000210624 [0,0,0,0,1,0|1,0,1]=3 1428 B9R0.48 CC(C)COC(C)CCBr 34a_100012276601_100000210624 [0,0,0,0,1,0|2,0,1]=4 1429 B9R0.48 CC(C)COC(C)CCO 34a_100000210257_100009893172 [0,0,0,0,1,0|1,0,1]=3 1430 B9R0.48 CC(C)CSC(C)CCO 62a_100000210624_100009893172 [0,0,0,0,1,0|1,0,1]=3 1431 B9R0.48 CC(C)CSC(C)CCO 62a_100009893172_100000210760 [0,0,0,0,1,0|1,0,1]=3 1432 B9R0.48 CC(C)OCN(C)CCO 2230a_100000210263_100000709892 [0,0,0,0,1,0|2,0,1]=4 1433 B9R0.48 CC(C)OCN(C)CCO 269982a_100000210263_100000709892 [0,0,0,0,1,0|2,0,1]=4 1434 B9R0.48 CC(CCN)COC(C)C 34a_106354213184_100000210206 [0,0,0,0,1,0|2,0,1]=4 1435 B9R0.48 CC(CCO)NCC(=O)N 2230a_100000711301_100009893172 [0,0,0,0,1,0|3,0,0]=4 1436 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [0,0,0,0,1,0|3,0,0]=4 1437 B9R0.48 CC(CCO)OC[C@@H](C)Cl 34a_100016084084_100009893172 [0,0,0,0,1,0|2,0,1]=4 1438 B9R0.48 CC(CCO)OC[C@@H](C)N 34a_100000737577_100009893172 [0,0,0,0,1,0|2,0,1]=4 1439 B9R0.48 CC(CCO)SCC(=O)N 62a_100000747473_100009893172 [0,0,0,0,1,0|3,0,0]=4 1440 B9R0.48 CC(CCO)SCC(=O)N 62a_100009893172_100000747473 [0,0,0,0,1,0|3,0,0]=4 1441 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100009893172_100020667443 [0,0,0,0,1,0|3,0,0]=4 1442 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100020667443_100009893172 [0,0,0,0,1,0|3,0,0]=4 1443 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009817552_100009893172 [0,0,0,0,1,0|2,0,1]=4 1444 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009893172_100009817552 [0,0,0,0,1,0|2,0,1]=4 1445 B9R0.48 CC(F)COC(C)CCO 34a_100015925927_100009893172 [0,0,0,0,1,0|2,0,1]=4 1446 B9R0.48 CC(O)CCN(C)CCO 2230a_100000210263_100012276601 [0,0,0,0,1,0|2,0,1]=4 1447 B9R0.48 CC(O)CCN(C)CCO 269982a_100000210263_100012276601 [0,0,0,0,1,0|2,0,1]=4 1448 B9R0.48 CC(O)CNC(C)CCO 2230a_100000210904_100009893172 [0,0,0,0,1,0|2,0,1]=4 1449 B9R0.48 CC(O)CNC(C)CCO 34a_100000210904_100009893172 [0,0,0,0,1,0|2,0,1]=4 1450 B9R0.48 CC(O)CN[C@H](C)CCO 2230a_100000706166_100011218427 [0,0,0,0,1,0|2,0,1]=4 1451 B9R0.48 CC(O)CN[C@H](C)CCO 34a_100000706166_100011218427 [0,0,0,0,1,0|2,0,1]=4 1452 B9R0.48 CC(O)CSC(C)CCO 62a_100009893172_100011218427 [0,0,0,0,1,0|2,0,1]=4 1453 B9R0.48 CC(O)CSC(C)CCO 62a_100011218427_100009893172 [0,0,0,0,1,0|2,0,1]=4 1454 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,0,0,0,1,0|2,0,1]=4 1455 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,0,0,0,1,0|2,0,1]=4 1456 B9R0.48 CCCC(C)CNC(C)C 2230a_100138425928_100011216630 [0,0,0,0,1,0|2,0,1]=4 1457 B9R0.48 CCCC(C)CNC(C)C 34a_100138425928_100011216630 [0,0,0,0,1,0|2,0,1]=4 1458 B9R0.48 CCCC(C)COC(C)C 34a_100000212225_100011216630 [0,0,0,0,1,0|2,0,1]=4 1459 B9R0.48 CCCC(C)COC(C)C 34a_100000688023_100000210206 [0,0,0,0,1,0|2,0,1]=4 1460 B9R0.48 CCCC(C)COC(C)C 7a_100000688023_100000210206 [0,0,0,0,1,0|2,0,1]=4 1461 B9R0.48 CCCC(C)CSC(C)C 62a_100000210206_100011216630 [0,0,0,0,1,0|2,0,1]=4 1462 B9R0.48 CCCC(C)CSC(C)C 62a_100011216630_100000210206 [0,0,0,0,1,0|2,0,1]=4 1463 B9R0.48 CCCC(C)NCC(C)C 2230a_100000210953_100000766640 [0,0,0,0,1,0|2,0,1]=4 1464 B9R0.48 CCCC(C)NCC(C)C 2230a_100000741246_100000210760 [0,0,0,0,1,0|2,0,1]=4 1465 B9R0.48 CCCC(C)NCC(C)C 270004a_100000210953_100000211909 [0,0,0,0,1,0|2,0,1]=4 1466 B9R0.48 CCCC(C)NCC(C)C 270004a_100000741246_100000210432 [0,0,0,0,1,0|2,0,1]=4 1467 B9R0.48 CCCC(C)NCC(C)C 34a_100000210953_100000766640 [0,0,0,0,1,0|2,0,1]=4 1468 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,0,0,0,1,0|3,0,0]=4 1469 B9R0.48 CCCC(C)OCC(C)C 34a_100000210257_100000766640 [0,0,0,0,1,0|2,0,1]=4 1470 B9R0.48 CCCC(C)OCC(C)C 34a_100000764384_100000210624 [0,0,0,0,1,0|2,0,1]=4 1471 B9R0.48 CCCC(C)OCC(C)C 7a_100000764384_100000210760 [0,0,0,0,1,0|2,0,1]=4 1472 B9R0.48 CCCC(C)SCC(C)C 62a_100000210624_100000766640 [0,0,0,0,1,0|2,0,1]=4 1473 B9R0.48 CCCC(C)SCC(C)C 62a_100000766640_100000210760 [0,0,0,0,1,0|2,0,1]=4 1474 B9R0.48 CCCN(C)CC=C(C)C 2230a_100000747261_100000761012 [0,0,0,0,1,0|2,0,0]=3 1475 B9R0.48 CCCN(C)CC=C(C)C 269982a_100000747261_100000761012 [0,0,0,0,1,0|2,0,0]=3 1476 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,0,0,0,1,0|3,0,0]=4 1477 B9R0.48 CCCN(C)CCC(C)C 2230a_100000742789_100000210303 [0,0,0,0,1,0|2,0,1]=4 1478 B9R0.48 CCCN(C)CCC(C)C 2230a_100000747261_100000210312 [0,0,0,0,1,0|2,0,1]=4 1479 B9R0.48 CCCN(C)CCC(C)C 269982a_100000742789_100000210303 [0,0,0,0,1,0|2,0,1]=4 1480 B9R0.48 CCCN(C)CCC(C)C 269982a_100000747261_100000210312 [0,0,0,0,1,0|2,0,1]=4 1481 B9R0.48 CCCN(C)CCN(C)C 2230a_100000226821_200000210301 [0,0,0,0,1,0|3,0,0]=4 1482 B9R0.48 CCCN(C)CCN(C)C 269982a_100000225618_100000210303 [0,0,0,0,1,0|3,0,0]=4 1483 B9R0.48 CCCN(C)CCN(C)C 269982a_100000226821_200000210301 [0,0,0,0,1,0|3,0,0]=4 1484 B9R0.48 CCCN(C)CCN(C)C 269982a_100000747261_100000755713 [0,0,0,0,1,0|3,0,0]=4 1485 B9R0.48 CCCN([13CH3])CCN(C)C 2230a_100000226821_200025704644 [0,0,0,0,1,0|3,0,0]=4 1486 B9R0.48 CCCN([13CH3])CCN(C)C 269982a_100000226821_200025704644 [0,0,0,0,1,0|3,0,0]=4 1487 B9R0.48 CCNC(C)CCC(C)C 2230a_100015525214_100011261404 [0,0,0,0,1,0|2,0,1]=4 1488 B9R0.48 CCNC(C)CCC(C)C 2230a_100138410893_100000210202 [0,0,0,0,1,0|2,0,1]=4 1489 B9R0.48 CCNC(C)CCC(C)C 270004a_100015525214_100000210476 [0,0,0,0,1,0|2,0,1]=4 1490 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,0,0,0,1,0|2,0,1]=4 1491 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,0,0,0,1,0|2,0,1]=4 1492 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,0,0,0,1,0|2,0,1]=4 1493 B9R0.48 CCSC(C)CCC(C)C 62a_100000210202_100011261404 [0,0,0,0,1,0|2,0,1]=4 1494 B9R0.48 CCSC(C)CCC(C)C 62a_100011261404_100000210202 [0,0,0,0,1,0|2,0,1]=4 1495 B9R0.48 CN(C)CCN(C)CCF 269982a_100000225618_100011217306 [0,0,0,0,1,0|3,0,0]=4 1496 B9R0.48 CN(C)CCN(C)CCO 269982a_100000210263_100000755713 [0,0,0,0,1,0|2,0,0]=3 1497 B9R0.48 CN(C)CCN(C)CCO 269982a_100000225618_100000211926 [0,0,0,0,1,0|2,0,0]=3 1498 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000210263_100000744528 [0,0,0,0,1,0|3,0,0]=4 1499 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000730477_100000211926 [0,0,0,0,1,0|3,0,0]=4 1500 B9R0.48 CN(CCO)CCC(=O)N 269982a_100000210263_100000744528 [0,0,0,0,1,0|3,0,0]=4 1501 B9R0.48 C[C@H](CCO)NCC(=O)N 2230a_100000706166_100000747473 [0,0,0,0,1,0|3,0,0]=4 1502 B9R0.48 C[C@H](CCO)NCC(=O)N 34a_100000706166_100000187820 [0,0,0,0,1,0|3,0,0]=4 1503 B9R0.48 C[C@H](CCO)NCC(=O)[O-] 34a_100000706166_100020667443 [0,0,0,0,1,0|3,0,0]=4 1504 B9R0.48 C[C@H](CCO)NC[C@@H](C)O 2230a_100000706166_100009817552 [0,0,0,0,1,0|2,0,1]=4 1505 B9R0.48 C[C@H](CCO)NC[C@@H](C)O 34a_100000706166_100009817552 [0,0,0,0,1,0|2,0,1]=4 1506 B9R0.48 C[S+](C)CCC(=O)CCO 1458a_100009452791_100000211926 [0,0,0,0,1,0|2,0,1]=4 1507 B11R0.176 C#CCC(C)OCCC=C(C)C 34a_100000685586_100011217483 [0,0,0,0,0,1|1,0,1]=3 1508 B11R0.176 C#CCC(C)OCCC=C(C)C 7a_100000685586_100011217483 [0,0,0,0,0,1|1,0,1]=3 1509 B11R0.176 C/C=C/C(C)OCCC=C(C)C 34a_200102604097_100011217483 [0,0,0,0,0,1|1,0,2]=4 1510 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000688023_100000730704 [0,0,0,0,0,1|1,0,2]=4 1511 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000764851_100011216630 [0,0,0,0,0,1|1,0,2]=4 1512 B11R0.176 C=C(C)CCOCC(C)CCC 7a_100000688023_100000730704 [0,0,0,0,0,1|1,0,2]=4 1513 B11R0.176 C=C(C)CCOCC(C)CCN 34a_106354213184_100000730704 [0,0,0,0,0,1|1,0,2]=4 1514 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100000730704_100011216630 [0,0,0,0,0,1|1,0,2]=4 1515 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100011216630_100000730704 [0,0,0,0,0,1|1,0,2]=4 1516 B11R0.176 C=C(C)COCCC(C)CCC 34a_100011217855_100000748629 [0,0,0,0,0,1|1,0,2]=4 1517 B11R0.176 C=C(C)COCCC(C)CCC 7a_100011217855_100000748629 [0,0,0,0,0,1|1,0,2]=4 1518 B11R0.176 C=CCC(C)COCC=C(C)C 34a_100009832082_100000761012 [0,0,0,0,0,1|1,0,1]=3 1519 B11R0.176 C=CCC(C)COCC=C(C)C 7a_100009832082_100000761012 [0,0,0,0,0,1|1,0,1]=3 1520 B11R0.176 C=CC[C@@H](C)OCCC=C(C)C 34a_100000731007_100011217483 [0,0,0,0,0,1|1,0,1]=3 1521 B11R0.176 C=CC[C@@H](C)OCCC=C(C)C 7a_100000731007_100011217483 [0,0,0,0,0,1|1,0,1]=3 1522 B11R0.176 C=CC[C@@H](N)COCC=C(C)C 34a_100020615467_100000761012 [0,0,0,0,0,1|2,0,1]=4 1523 B11R0.176 CC#CC(C)OCCC=C(C)C 34a_100011216543_100011217483 [0,0,0,0,0,1|1,0,2]=4 1524 B11R0.176 CC(=CCCN[C@@H](C)CC#N)C 2230a_100016994482_100011217483 [0,0,0,0,0,1|1,0,1]=3 1525 B11R0.176 CC(=CCCN[C@H](C)CCO)C 2230a_100000706166_100011217483 [0,0,0,0,0,1|0,0,0]=1 1526 B11R0.176 CC(=CCCN[C@H](C)CCO)C 34a_100000706166_100011217483 [0,0,0,0,0,1|0,0,0]=1 1527 B11R0.176 CC(=CCCOC(C)CCBr)C 34a_100012276601_100011217483 [0,0,0,0,0,1|1,0,0]=2 1528 B11R0.176 CC(=CCCSC(C)CC#N)C 62a_100009813641_100011217483 [0,0,0,0,0,1|1,0,1]=3 1529 B11R0.176 CC(=CCCSC(C)CC#N)C 62a_100011217483_100009813641 [0,0,0,0,0,1|1,0,1]=3 1530 B11R0.176 CC(=CCCSC(C)CCO)C 62a_100009893172_100011217483 [0,0,0,0,0,1|0,0,0]=1 1531 B11R0.176 CC(=CCCSC(C)CCO)C 62a_100011217483_100009893172 [0,0,0,0,0,1|0,0,0]=1 1532 B11R0.176 CC(=CCNCC(=O)NCO)C 34a_100000718196_100000185155 [0,0,0,0,0,1|2,0,1]=4 1533 B11R0.176 CC(=CCOCC(=O)NCO)C 34a_100000753907_100000185155 [0,0,0,0,0,1|2,0,1]=4 1534 B11R0.176 CC(=CCOCC(C)CCN)C 34a_106354213184_100000761012 [0,0,0,0,0,1|1,0,0]=2 1535 B11R0.176 CC(=CCSCC(=O)NCO)C 62a_100000185155_100000761012 [0,0,0,0,0,1|2,0,1]=4 1536 B11R0.176 CC(=CCSCC(=O)NCO)C 62a_100000761012_100000185155 [0,0,0,0,0,1|2,0,1]=4 1537 B11R0.176 CC(=CCSC[C@@H](O)CC#N)C 62a_100000001066_100000761012 [0,0,0,0,0,1|2,0,1]=4 1538 B11R0.176 CC(=CCSC[C@@H](O)CC#N)C 62a_100000761012_100000001066 [0,0,0,0,0,1|2,0,1]=4 1539 B11R0.176 CC(=O)CCCCN(C)CCO 269982a_100000210263_100000735457 [0,0,0,0,0,1|2,0,1]=4 1540 B11R0.176 CC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000685027 [0,0,0,0,0,1|1,0,1]=3 1541 B11R0.176 CC(=O)CCCOC(C)CCBr 34a_100012276601_100000685027 [0,0,0,0,0,1|2,0,1]=4 1542 B11R0.176 CC(=O)CCCOC(C)CCO 34a_100000759063_100009893172 [0,0,0,0,0,1|1,0,1]=3 1543 B11R0.176 CC(=O)CCCOC(C)CCO 7a_100000759063_100009893172 [0,0,0,0,0,1|1,0,1]=3 1544 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100009893172_100011215641 [0,0,0,0,0,1|1,0,1]=3 1545 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100011215641_100009893172 [0,0,0,0,0,1|1,0,1]=3 1546 B11R0.176 CC(=O)NCCNC(C)CCO 2230a_100000209853_100009893172 [0,0,0,0,0,1|2,0,0]=3 1547 B11R0.176 CC(=O)NCCN[C@H](C)CCO 2230a_100000706166_100000189650 [0,0,0,0,0,1|2,0,0]=3 1548 B11R0.176 CC(=O)NCCOC(C)CCO 34a_100000158858_100009893172 [0,0,0,0,0,1|2,0,0]=3 1549 B11R0.176 CC(=O)NCCSC(C)CCO 62a_100000189650_100009893172 [0,0,0,0,0,1|2,0,0]=3 1550 B11R0.176 CC(=O)NCCSC(C)CCO 62a_100009893172_100000189650 [0,0,0,0,0,1|2,0,0]=3 1551 B11R0.176 CC(=O)OCCCN(C)CCO 269982a_100000210263_100000042594 [0,0,0,0,0,1|2,0,1]=4 1552 B11R0.176 CC(=O)OCCN[C@H](C)CCO 34a_100000706166_100009814007 [0,0,0,0,0,1|2,0,0]=3 1553 B11R0.176 CC(=O)OCCOC(C)CCBr 34a_100012276601_100009814007 [0,0,0,0,0,1|3,0,0]=4 1554 B11R0.176 CC(=O)OCCSC(C)CCO 62a_100009814007_100009893172 [0,0,0,0,0,1|2,0,0]=3 1555 B11R0.176 CC(=O)OCCSC(C)CCO 62a_100009893172_100009814007 [0,0,0,0,0,1|2,0,0]=3 1556 B11R0.176 CC(=O)OCOCC(C)CCN 34a_106354213184_100009813279 [0,0,0,0,0,1|3,0,0]=4 1557 B11R0.176 CC(=O)SCCCN(C)CCO 2230a_100000210263_100000038929 [0,0,0,0,0,1|2,0,1]=4 1558 B11R0.176 CC(=O)SCCCN(C)CCO 269982a_100000210263_100000038929 [0,0,0,0,0,1|2,0,1]=4 1559 B11R0.176 CC(=S)OCCCN(C)CCO 2230a_100000210263_200135323944 [0,0,0,0,0,1|2,0,1]=4 1560 B11R0.176 CC(=S)OCCCN(C)CCO 269982a_100000210263_200135323944 [0,0,0,0,0,1|2,0,1]=4 1561 B11R0.176 CC(C)CCCCN(C)CCO 2230a_100000210263_100011216152 [0,0,0,0,0,1|1,0,2]=4 1562 B11R0.176 CC(C)CCCCN(C)CCO 269982a_100000210263_100011216152 [0,0,0,0,0,1|1,0,2]=4 1563 B11R0.176 CC(C)CCCNC(C)CCO 2230a_200000737386_100009893172 [0,0,0,0,0,1|0,0,2]=3 1564 B11R0.176 CC(C)CCCNC(C)CCO 34a_200000737386_100009893172 [0,0,0,0,0,1|0,0,2]=3 1565 B11R0.176 CC(C)CCCN[C@H](C)CCO 2230a_100000706166_100011214892 [0,0,0,0,0,1|0,0,2]=3 1566 B11R0.176 CC(C)CCCN[C@H](C)CCO 34a_100000706166_100011214892 [0,0,0,0,0,1|0,0,2]=3 1567 B11R0.176 CC(C)CCCOC(C)CCBr 34a_100012276601_100011214892 [0,0,0,0,0,1|1,0,2]=4 1568 B11R0.176 CC(C)CCCOC(C)CCO 34a_100000210774_100009893172 [0,0,0,0,0,1|0,0,2]=3 1569 B11R0.176 CC(C)CCCOC(C)CCO 7a_100000210774_100009893172 [0,0,0,0,0,1|0,0,2]=3 1570 B11R0.176 CC(C)CCCSC(C)CCO 62a_100009893172_100011214892 [0,0,0,0,0,1|0,0,2]=3 1571 B11R0.176 CC(C)CCCSC(C)CCO 62a_100011214892_100009893172 [0,0,0,0,0,1|0,0,2]=3 1572 B11R0.176 CC(C)CCOCC(C)CCN 34a_106354213184_100000210312 [0,0,0,0,0,1|1,0,2]=4 1573 B11R0.176 CC(C)NCCOC(C)CCO 34a_100000224655_100009893172 [0,0,0,0,0,1|1,0,1]=3 1574 B11R0.176 CC(C)OCCN[C@H](C)CCO 2230a_100000706166_100000211751 [0,0,0,0,0,1|1,0,1]=3 1575 B11R0.176 CC(C)OCCN[C@H](C)CCO 34a_100000706166_100000211751 [0,0,0,0,0,1|1,0,1]=3 1576 B11R0.176 CC(C)OCCOC(C)CCBr 34a_100012276601_100000211751 [0,0,0,0,0,1|2,0,1]=4 1577 B11R0.176 CC(C)OCCOC(C)CCO 34a_100000211219_100009893172 [0,0,0,0,0,1|1,0,1]=3 1578 B11R0.176 CC(C)OCCOC(C)CCO 7a_100000211219_100009893172 [0,0,0,0,0,1|1,0,1]=3 1579 B11R0.176 CC(C)OCCSC(C)CCO 62a_100000211751_100009893172 [0,0,0,0,0,1|1,0,1]=3 1580 B11R0.176 CC(C)OCCSC(C)CCO 62a_100009893172_100000211751 [0,0,0,0,0,1|1,0,1]=3 1581 B11R0.176 CC(C)SCCN[C@H](C)CCO 2230a_100000706166_100000730970 [0,0,0,0,0,1|1,0,1]=3 1582 B11R0.176 CC(C)SCCN[C@H](C)CCO 34a_100000706166_100000730970 [0,0,0,0,0,1|1,0,1]=3 1583 B11R0.176 CC(C)SCCSC(C)CCO 62a_100000730970_100009893172 [0,0,0,0,0,1|1,0,1]=3 1584 B11R0.176 CC(C)SCCSC(C)CCO 62a_100009893172_100000730970 [0,0,0,0,0,1|1,0,1]=3 1585 B11R0.176 CC(CCBr)OCCC=C(F)F 34a_100012276601_200009816681 [0,0,0,0,0,1|3,0,0]=4 1586 B11R0.176 CC(CCBr)OCCSC(C)C 34a_100012276601_100000730970 [0,0,0,0,0,1|2,0,1]=4 1587 B11R0.176 CC(CCN)COCOC(C)C 34a_106354213184_100000709892 [0,0,0,0,0,1|2,0,1]=4 1588 B11R0.176 CC(CCO)NCCCC(=O)N 34a_100000739312_100009893172 [0,0,0,0,0,1|2,0,1]=4 1589 B11R0.176 CC(CCO)NCCCS(=O)C 2230a_200000753449_100009893172 [0,0,0,0,0,1|2,0,1]=4 1590 B11R0.176 CC(CCO)NCCNC(=O)N 34a_100020590234_100009893172 [0,0,0,0,0,1|3,0,0]=4 1591 B11R0.176 CC(CCO)NCCOC(C)C 2230a_100000701111_100009893172 [0,0,0,0,0,1|1,0,1]=3 1592 B11R0.176 CC(CCO)NCCOC(C)C 34a_100000701111_100009893172 [0,0,0,0,0,1|1,0,1]=3 1593 B11R0.176 CC(CCO)NCCSC(C)C 2230a_100000731138_100009893172 [0,0,0,0,0,1|1,0,1]=3 1594 B11R0.176 CC(CCO)NCCSC(C)C 34a_100000731138_100009893172 [0,0,0,0,0,1|1,0,1]=3 1595 B11R0.176 CC(CCO)OCCNC(=O)N 34a_100000181757_100009893172 [0,0,0,0,0,1|3,0,0]=4 1596 B11R0.176 CC(CCO)OCCOC(=O)N 7a_100000766696_100009893172 [0,0,0,0,0,1|3,0,0]=4 1597 B11R0.176 CC(CCO)OCCSC(C)C 34a_200011212901_100009893172 [0,0,0,0,0,1|1,0,1]=3 1598 B11R0.176 CC(CCO)OCCSC(C)C 7a_200011212901_100009893172 [0,0,0,0,0,1|1,0,1]=3 1599 B11R0.176 CC(CCO)SCCC=C(F)F 62a_100009893172_200009816681 [0,0,0,0,0,1|2,0,0]=3 1600 B11R0.176 CC(CCO)SCCC=C(F)F 62a_200009816681_100009893172 [0,0,0,0,0,1|2,0,0]=3 1601 B11R0.176 CC(CCO)SCCCC(=O)N 62a_100009893172_100102525003 [0,0,0,0,0,1|2,0,1]=4 1602 B11R0.176 CC(CCO)SCCCC(=O)N 62a_100102525003_100009893172 [0,0,0,0,0,1|2,0,1]=4 1603 B11R0.176 CC(CCO)SCCCN(C)C 62a_100009893172_100000757444 [0,0,0,0,0,1|1,0,1]=3 1604 B11R0.176 CC(CCO)SCCNC(=O)N 62a_100009893172_200000034859 [0,0,0,0,0,1|3,0,0]=4 1605 B11R0.176 CC(CCO)SCCNC(=O)N 62a_200000034859_100009893172 [0,0,0,0,0,1|3,0,0]=4 1606 B11R0.176 CC(CCO)SCCOC(=O)N 62a_100009893172_200011214921 [0,0,0,0,0,1|3,0,0]=4 1607 B11R0.176 CC(CCO)SCCOC(=O)N 62a_200011214921_100009893172 [0,0,0,0,0,1|3,0,0]=4 1608 B11R0.176 CC(O)CCCN[C@H](C)CCO 2230a_100000706166_200000718107 [0,0,0,0,0,1|1,0,2]=4 1609 B11R0.176 CC(O)CCCN[C@H](C)CCO 34a_100000706166_200000718107 [0,0,0,0,0,1|1,0,2]=4 1610 B11R0.176 CC(O)CCCSC(C)CCO 62a_100009893172_200000718107 [0,0,0,0,0,1|1,0,2]=4 1611 B11R0.176 CC(O)CCCSC(C)CCO 62a_200000718107_100009893172 [0,0,0,0,0,1|1,0,2]=4 1612 B11R0.176 CCCC(=O)CSCC=C(C)C 62a_100000747444_100000761012 [0,0,0,0,0,1|2,0,1]=4 1613 B11R0.176 CCCC(=O)CSCC=C(C)C 62a_100000761012_100000747444 [0,0,0,0,0,1|2,0,1]=4 1614 B11R0.176 CCCC(C)CCCOC(C)C 34a_100011713154_100000210206 [0,0,0,0,0,1|1,0,2]=4 1615 B11R0.176 CCCC(C)CCCOC(C)C 7a_100011713154_100000210206 [0,0,0,0,0,1|1,0,2]=4 1616 B11R0.176 CCCC(C)CCOCC(C)C 34a_100011217855_100000210624 [0,0,0,0,0,1|1,0,2]=4 1617 B11R0.176 CCCC(C)CCOCC(C)C 7a_100011217855_100000210760 [0,0,0,0,0,1|1,0,2]=4 1618 B11R0.176 CCCC(C)CNCC=C(C)C 270004a_100000718196_100000243154 [0,0,0,0,0,1|1,0,0]=2 1619 B11R0.176 CCCC(C)CNCC=C(C)C 34a_100000718196_100011216630 [0,0,0,0,0,1|1,0,0]=2 1620 B11R0.176 CCCC(C)CNCCC(C)C 270004a_100000210545_100000243154 [0,0,0,0,0,1|1,0,2]=4 1621 B11R0.176 CCCC(C)CNCCN(C)C 270004a_100000210585_100000243154 [0,0,0,0,0,1|2,0,1]=4 1622 B11R0.176 CCCC(C)COCC=C(C)C 34a_100000688023_100000761012 [0,0,0,0,0,1|1,0,0]=2 1623 B11R0.176 CCCC(C)COCC=C(C)C 34a_100000753907_100011216630 [0,0,0,0,0,1|1,0,0]=2 1624 B11R0.176 CCCC(C)COCC=C(C)C 7a_100000688023_100000761012 [0,0,0,0,0,1|1,0,0]=2 1625 B11R0.176 CCCC(C)COCCC(=O)C 34a_100000759926_100011216630 [0,0,0,0,0,1|2,0,1]=4 1626 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000688023_100000053229 [0,0,0,0,0,1|2,0,1]=4 1627 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000759926_100011216630 [0,0,0,0,0,1|2,0,1]=4 1628 B11R0.176 CCCC(C)COCCC(C)C 34a_100000210254_100011216630 [0,0,0,0,0,1|1,0,2]=4 1629 B11R0.176 CCCC(C)COCCC(C)C 34a_100000688023_100000210312 [0,0,0,0,0,1|1,0,2]=4 1630 B11R0.176 CCCC(C)COCCC(C)C 7a_100000210254_100011216630 [0,0,0,0,0,1|1,0,2]=4 1631 B11R0.176 CCCC(C)COCCC(C)C 7a_100000688023_100000210626 [0,0,0,0,0,1|1,0,2]=4 1632 B11R0.176 CCCC(C)COCCN(C)C 7a_100000688023_100000755713 [0,0,0,0,0,1|2,0,1]=4 1633 B11R0.176 CCCC(C)COCOC(=O)C 34a_100000688023_100009813279 [0,0,0,0,0,1|3,0,0]=4 1634 B11R0.176 CCCC(C)COCOC(C)C 34a_100000688023_100000709892 [0,0,0,0,0,1|2,0,1]=4 1635 B11R0.176 CCCC(C)CSCC=C(C)C 62a_100000761012_100011216630 [0,0,0,0,0,1|1,0,0]=2 1636 B11R0.176 CCCC(C)CSCC=C(C)C 62a_100011216630_100000761012 [0,0,0,0,0,1|1,0,0]=2 1637 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100000053229_100011216630 [0,0,0,0,0,1|2,0,1]=4 1638 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100011216630_100000053229 [0,0,0,0,0,1|2,0,1]=4 1639 B11R0.176 CCCC(C)CSCCC(C)C 62a_100000210312_100011216630 [0,0,0,0,0,1|1,0,2]=4 1640 B11R0.176 CCCC(C)CSCCC(C)C 62a_100011216630_100000210312 [0,0,0,0,0,1|1,0,2]=4 1641 B11R0.176 CCCC(C)CSCCN(C)C 62a_100011216630_100000755713 [0,0,0,0,0,1|2,0,1]=4 1642 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100000076356_100011216630 [0,0,0,0,0,1|3,0,0]=4 1643 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100011216630_100000076356 [0,0,0,0,0,1|3,0,0]=4 1644 B11R0.176 CCCC(C)CSCOC(C)C 62a_100000709892_100011216630 [0,0,0,0,0,1|2,0,1]=4 1645 B11R0.176 CCCC(C)CSCOC(C)C 62a_100011216630_100000709892 [0,0,0,0,0,1|2,0,1]=4 1646 B11R0.176 CCCC(C)NCCC=C(C)C 2230a_100000741246_100011217483 [0,0,0,0,0,1|1,0,0]=2 1647 B11R0.176 CCCC(C)NCCC=C(F)F 2230a_100000741246_200009816681 [0,0,0,0,0,1|3,0,0]=4 1648 B11R0.176 CCCC(C)NCCCC(C)C 2230a_100000741246_100011214892 [0,0,0,0,0,1|1,0,2]=4 1649 B11R0.176 CCCC(C)NCCCC(C)C 2230a_200000737386_100000766640 [0,0,0,0,0,1|1,0,2]=4 1650 B11R0.176 CCCC(C)NCCCC(C)C 270004a_200000737386_100000211909 [0,0,0,0,0,1|1,0,2]=4 1651 B11R0.176 CCCC(C)NCCCC(C)C 34a_200000737386_100000766640 [0,0,0,0,0,1|1,0,2]=4 1652 B11R0.176 CCCC(C)NCCCN(C)C 270004a_102531767803_100000211909 [0,0,0,0,0,1|2,0,1]=4 1653 B11R0.176 CCCC(C)NCCNC(=O)C 2230a_100000209853_100000766640 [0,0,0,0,0,1|3,0,0]=4 1654 B11R0.176 CCCC(C)NCCNC(=O)C 2230a_100000741246_100000189650 [0,0,0,0,0,1|3,0,0]=4 1655 B11R0.176 CCCC(C)NCCOC(C)C 2230a_100000701111_100000766640 [0,0,0,0,0,1|2,0,1]=4 1656 B11R0.176 CCCC(C)NCCOC(C)C 2230a_100000741246_100000211751 [0,0,0,0,0,1|2,0,1]=4 1657 B11R0.176 CCCC(C)NCCOC(C)C 270004a_100000701111_100000211909 [0,0,0,0,0,1|2,0,1]=4 1658 B11R0.176 CCCC(C)NCCOC(C)C 34a_100000701111_100000766640 [0,0,0,0,0,1|2,0,1]=4 1659 B11R0.176 CCCC(C)NCCSC(C)C 2230a_100000731138_100000766640 [0,0,0,0,0,1|2,0,1]=4 1660 B11R0.176 CCCC(C)NCCSC(C)C 2230a_100000741246_100000730970 [0,0,0,0,0,1|2,0,1]=4 1661 B11R0.176 CCCC(C)NCCSC(C)C 270004a_100000731138_100000211909 [0,0,0,0,0,1|2,0,1]=4 1662 B11R0.176 CCCC(C)NCCSC(C)C 34a_100000731138_100000766640 [0,0,0,0,0,1|2,0,1]=4 1663 B11R0.176 CCCC(C)OCCC=C(C)C 34a_100000764384_100011217483 [0,0,0,0,0,1|1,0,0]=2 1664 B11R0.176 CCCC(C)OCCC=C(C)C 7a_100000764384_100011217483 [0,0,0,0,0,1|1,0,0]=2 1665 B11R0.176 CCCC(C)OCCC=C(F)F 34a_100000764384_200009816681 [0,0,0,0,0,1|3,0,0]=4 1666 B11R0.176 CCCC(C)OCCC=C(F)F 7a_100000764384_200009816681 [0,0,0,0,0,1|3,0,0]=4 1667 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000759063_100000766640 [0,0,0,0,0,1|2,0,1]=4 1668 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000764384_100000685027 [0,0,0,0,0,1|2,0,1]=4 1669 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000759063_100000766640 [0,0,0,0,0,1|2,0,1]=4 1670 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000764384_100011215641 [0,0,0,0,0,1|2,0,1]=4 1671 B11R0.176 CCCC(C)OCCCC(C)C 34a_100000210774_100000766640 [0,0,0,0,0,1|1,0,2]=4 1672 B11R0.176 CCCC(C)OCCCC(C)C 34a_100000764384_100011214892 [0,0,0,0,0,1|1,0,2]=4 1673 B11R0.176 CCCC(C)OCCCC(C)C 7a_100000210774_100000766640 [0,0,0,0,0,1|1,0,2]=4 1674 B11R0.176 CCCC(C)OCCCC(C)C 7a_100000764384_100011214892 [0,0,0,0,0,1|1,0,2]=4 1675 B11R0.176 CCCC(C)OCCCN(C)C 7a_100000764384_100000757444 [0,0,0,0,0,1|2,0,1]=4 1676 B11R0.176 CCCC(C)OCCNC(=O)C 34a_100000158858_100000766640 [0,0,0,0,0,1|3,0,0]=4 1677 B11R0.176 CCCC(C)OCCNC(=O)C 7a_100000764384_100000189650 [0,0,0,0,0,1|3,0,0]=4 1678 B11R0.176 CCCC(C)OCCNC(C)C 34a_100000224655_100000766640 [0,0,0,0,0,1|2,0,1]=4 1679 B11R0.176 CCCC(C)OCCOC(=O)C 34a_100000764384_100009814007 [0,0,0,0,0,1|3,0,0]=4 1680 B11R0.176 CCCC(C)OCCOC(=O)C 7a_100000764384_100009814007 [0,0,0,0,0,1|3,0,0]=4 1681 B11R0.176 CCCC(C)OCCOC(C)C 34a_100000211219_100000766640 [0,0,0,0,0,1|2,0,1]=4 1682 B11R0.176 CCCC(C)OCCOC(C)C 34a_100000764384_100000211751 [0,0,0,0,0,1|2,0,1]=4 1683 B11R0.176 CCCC(C)OCCOC(C)C 7a_100000211219_100000766640 [0,0,0,0,0,1|2,0,1]=4 1684 B11R0.176 CCCC(C)OCCOC(C)C 7a_100000764384_100000211751 [0,0,0,0,0,1|2,0,1]=4 1685 B11R0.176 CCCC(C)OCCSC(C)C 34a_100000764384_100000730970 [0,0,0,0,0,1|2,0,1]=4 1686 B11R0.176 CCCC(C)OCCSC(C)C 34a_200011212901_100000766640 [0,0,0,0,0,1|2,0,1]=4 1687 B11R0.176 CCCC(C)OCCSC(C)C 7a_100000764384_100000730970 [0,0,0,0,0,1|2,0,1]=4 1688 B11R0.176 CCCC(C)OCCSC(C)C 7a_200011212901_100000766640 [0,0,0,0,0,1|2,0,1]=4 1689 B11R0.176 CCCC(C)SCCC=C(C)C 62a_100000766640_100011217483 [0,0,0,0,0,1|1,0,0]=2 1690 B11R0.176 CCCC(C)SCCC=C(C)C 62a_100011217483_100000766640 [0,0,0,0,0,1|1,0,0]=2 1691 B11R0.176 CCCC(C)SCCC=C(F)F 62a_100000766640_200009816681 [0,0,0,0,0,1|3,0,0]=4 1692 B11R0.176 CCCC(C)SCCC=C(F)F 62a_200009816681_100000766640 [0,0,0,0,0,1|3,0,0]=4 1693 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100000766640_100011215641 [0,0,0,0,0,1|2,0,1]=4 1694 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100011215641_100000766640 [0,0,0,0,0,1|2,0,1]=4 1695 B11R0.176 CCCC(C)SCCCC(C)C 62a_100000766640_100011214892 [0,0,0,0,0,1|1,0,2]=4 1696 B11R0.176 CCCC(C)SCCCC(C)C 62a_100011214892_100000766640 [0,0,0,0,0,1|1,0,2]=4 1697 B11R0.176 CCCC(C)SCCCN(C)C 62a_100000766640_100000757444 [0,0,0,0,0,1|2,0,1]=4 1698 B11R0.176 CCCC(C)SCCNC(=O)C 62a_100000189650_100000766640 [0,0,0,0,0,1|3,0,0]=4 1699 B11R0.176 CCCC(C)SCCNC(=O)C 62a_100000766640_100000189650 [0,0,0,0,0,1|3,0,0]=4 1700 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100000766640_100009814007 [0,0,0,0,0,1|3,0,0]=4 1701 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100009814007_100000766640 [0,0,0,0,0,1|3,0,0]=4 1702 B11R0.176 CCCC(C)SCCOC(C)C 62a_100000211751_100000766640 [0,0,0,0,0,1|2,0,1]=4 1703 B11R0.176 CCCC(C)SCCOC(C)C 62a_100000766640_100000211751 [0,0,0,0,0,1|2,0,1]=4 1704 B11R0.176 CCCC(C)SCCSC(C)C 62a_100000730970_100000766640 [0,0,0,0,0,1|2,0,1]=4 1705 B11R0.176 CCCC(C)SCCSC(C)C 62a_100000766640_100000730970 [0,0,0,0,0,1|2,0,1]=4 1706 B11R0.176 CCC[C@H](N)COCC=C(C)C 34a_100000732646_100000761012 [0,0,0,0,0,1|2,0,0]=3 1707 B11R0.176 CN(C)CCCCN(C)CCO 269982a_100000210263_100000690147 [0,0,0,0,0,1|2,0,1]=4 1708 B11R0.176 COCC(C)SCCC=C(C)C 62a_100000765312_100011217483 [0,0,0,0,0,1|2,0,0]=3 1709 B11R0.176 COCC(C)SCCC=C(C)C 62a_100011217483_100000765312 [0,0,0,0,0,1|2,0,0]=3 1710 B11R0.176 COCC(N)COCC=C(C)C 34a_100000724102_100000761012 [0,0,0,0,0,1|3,0,0]=4 1711 B11R0.176 COCC(O)CNCC=C(C)C 2230a_100000756049_100000761012 [0,0,0,0,0,1|3,0,0]=4 1712 B11R0.176 COCC(O)CNCC=C(C)C 34a_100000718196_100011215053 [0,0,0,0,0,1|3,0,0]=4 1713 B11R0.176 COCC(O)CNCC=C(C)C 34a_100000756049_100000761012 [0,0,0,0,0,1|3,0,0]=4 1714 B11R0.176 COCC(O)COCC=C(C)C 34a_100000753907_100011215053 [0,0,0,0,0,1|3,0,0]=4 1715 B11R0.176 COCC(O)CSCC=C(C)C 62a_100000761012_100011215053 [0,0,0,0,0,1|3,0,0]=4 1716 B11R0.176 COCC(O)CSCC=C(C)C 62a_100011215053_100000761012 [0,0,0,0,0,1|3,0,0]=4 1717 B11R0.176 COC[C@@H](C)NCCC=C(C)C 2230a_100000764878_100011217483 [0,0,0,0,0,1|2,0,0]=3 1718 B11R0.176 COC[C@@H](C)OCCC=C(C)C 34a_100011934205_100011217483 [0,0,0,0,0,1|2,0,0]=3 1719 B11R0.176 C[C@H](CCO)NCCC=C(F)F 2230a_100000706166_200009816681 [0,0,0,0,0,1|2,0,0]=3 1720 B11R0.176 C[C@H](CCO)NCCC=C(F)F 34a_100000706166_200009816681 [0,0,0,0,0,1|2,0,0]=3 1721 B11R0.176 C[C@H](CCO)NCCCC(=O)N 34a_100000706166_100102525003 [0,0,0,0,0,1|2,0,1]=4 1722 B11R0.176 C[C@H](CCO)NCCNC(=O)N 2230a_100000706166_200000034859 [0,0,0,0,0,1|3,0,0]=4 1723 B11R0.176 C[C@H](CCO)NCCOC(=O)N 34a_100000706166_200011214921 [0,0,0,0,0,1|3,0,0]=4 1724 B8R0.6 C/C=C/COC(C)CC 34a_100016270725_100011215416 [2,0,0,0,0,0|1,0,0]=3 1725 B8R0.6 C/C=C/COC(C)CC 7a_100000210228_100102629194 [2,0,0,0,0,0|1,0,0]=3 1726 B8R0.6 C/C=C/COC(C)CF 34a_100016041109_100102629194 [2,0,0,0,0,0|2,0,0]=4 1727 B8R0.6 C/C=C/COC(C)CF 7a_100016041109_100102629194 [2,0,0,0,0,0|2,0,0]=4 1728 B8R0.6 C/C=C/COC(C)CN 34a_100000210904_100102629194 [2,0,0,0,0,0|2,0,0]=4 1729 B8R0.6 C/C=C/COC(C)CO 34a_100016270725_100012180447 [2,0,0,0,0,0|1,0,0]=3 1730 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [2,0,0,0,0,0|1,0,0]=3 1731 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [2,0,0,0,0,0|1,0,0]=3 1732 B8R0.6 C/C=C/CSC(C)CO 62a_100012180447_100102629194 [2,0,0,0,0,0|1,0,0]=3 1733 B8R0.6 C/C=C/CSC(C)OC 62a_100009879195_100102629194 [2,0,0,0,0,0|2,0,0]=4 1734 B8R0.6 C/C=C/CSC(C)OC 62a_100102629194_100009879195 [2,0,0,0,0,0|2,0,0]=4 1735 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100016084084_100102629194 [2,0,0,0,0,0|1,0,0]=3 1736 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100102629194_100016084084 [2,0,0,0,0,0|1,0,0]=3 1737 B8R0.6 CC=CCNC(C)CC 2230a_100000209981_100000070051 [2,0,0,0,0,0|1,0,0]=3 1738 B8R0.6 CC=CCN[C@H](C)CO 2230a_100000737577_100000070051 [2,0,0,0,0,0|1,0,0]=3 1739 B8R0.6 CC=CCOC(C)CC 7a_100000210228_100000070051 [2,0,0,0,0,0|1,0,0]=3 1740 B8R0.6 CC=CCOC(C)CF 34a_100016041109_100000070051 [2,0,0,0,0,0|2,0,0]=4 1741 B8R0.6 CC=CCOC(C)CF 7a_100016041109_100000070051 [2,0,0,0,0,0|2,0,0]=4 1742 B8R0.6 CC=CCOC(C)CN 34a_100000210904_100000070051 [2,0,0,0,0,0|2,0,0]=4 1743 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [2,0,0,0,0,0|1,0,0]=3 1744 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [2,0,0,0,0,0|1,0,0]=3 1745 B8R0.6 CC=CCSC(C)CO 62a_100012180447_100000070051 [2,0,0,0,0,0|1,0,0]=3 1746 B8R0.6 CC=CCSC(C)OC 62a_100000070051_100009879195 [2,0,0,0,0,0|2,0,0]=4 1747 B8R0.6 CC=CCSC(C)OC 62a_100009879195_100000070051 [2,0,0,0,0,0|2,0,0]=4 1748 B8R0.6 CC=CCS[C@H](C)CO 62a_100000070051_100016084084 [2,0,0,0,0,0|1,0,0]=3 1749 B8R0.6 CC=CCS[C@H](C)CO 62a_100016084084_100000070051 [2,0,0,0,0,0|1,0,0]=3 1750 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [2,0,0,0,0,0|1,0,1]=4 1751 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [2,0,0,0,0,0|1,0,1]=4 1752 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [2,0,0,0,0,0|1,0,1]=4 1753 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [2,0,0,0,0,0|1,0,1]=4 1754 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [2,0,0,0,0,0|1,0,1]=4 1755 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [2,0,0,0,0,0|1,0,1]=4 1756 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [2,0,0,0,0,0|1,0,1]=4 1757 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [2,0,0,0,0,0|1,0,1]=4 1758 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [2,0,0,0,0,0|1,0,1]=4 1759 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [2,0,0,0,0,0|1,0,1]=4 1760 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [2,0,0,0,0,0|1,0,1]=4 1761 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [2,0,0,0,0,0|1,0,1]=4 1762 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [2,0,0,0,0,0|1,0,1]=4 1763 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [2,0,0,0,0,0|1,0,1]=4 1764 B8R0.7 CC(=CCCSCF)C 62a_100011217483_100015361967 [2,0,0,0,0,0|2,0,0]=4 1765 B8R0.7 CC(=CCCSCF)C 62a_100015361967_100011217483 [2,0,0,0,0,0|2,0,0]=4 1766 B8R0.7 CC(=CCNCCF)C 34a_100000718196_100011217306 [2,0,0,0,0,0|2,0,0]=4 1767 B8R0.7 CC(=CCNCCF)C 34a_100000724931_100000761012 [2,0,0,0,0,0|2,0,0]=4 1768 B8R0.7 CC(=CCNCCO)C 2230a_100016997473_100000761012 [2,0,0,0,0,0|1,0,0]=3 1769 B8R0.7 CC(=CCNCCO)C 34a_100000718196_100000211926 [2,0,0,0,0,0|1,0,0]=3 1770 B8R0.7 CC(=CCNCCO)C 34a_100016990907_100000761012 [2,0,0,0,0,0|1,0,0]=3 1771 B8R0.7 CC(=CCOCCBr)C 34a_100000211926_100000761012 [2,0,0,0,0,0|2,0,0]=4 1772 B8R0.7 CC(=CCOCCF)C 34a_100000753907_100011217306 [2,0,0,0,0,0|2,0,0]=4 1773 B8R0.7 CC(=CCOCCN)C 34a_100000210304_100000761012 [2,0,0,0,0,0|2,0,0]=4 1774 B8R0.7 CC(=CCOCCO)C 34a_100000753907_100000211926 [2,0,0,0,0,0|1,0,0]=3 1775 B8R0.7 CC(=CCSCCF)C 62a_100000761012_100011217306 [2,0,0,0,0,0|2,0,0]=4 1776 B8R0.7 CC(=CCSCCF)C 62a_100011217306_100000761012 [2,0,0,0,0,0|2,0,0]=4 1777 B8R0.7 CC(=CCSCCO)C 62a_100000211926_100000761012 [2,0,0,0,0,0|1,0,0]=3 1778 B8R0.7 CC(=CCSCCO)C 62a_100000761012_100000211926 [2,0,0,0,0,0|1,0,0]=3 1779 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [2,0,0,0,0,0|2,0,0]=4 1780 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [2,0,0,0,0,0|1,0,0]=3 1781 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [2,0,0,0,0,0|1,0,0]=3 1782 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [2,0,0,0,0,0|2,0,0]=4 1783 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [2,0,0,0,0,0|2,0,0]=4 1784 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [2,0,0,0,0,0|2,0,0]=4 1785 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [2,0,0,0,0,0|2,0,0]=4 1786 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [2,0,0,0,0,0|2,0,0]=4 1787 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [2,0,0,0,0,0|2,0,0]=4 1788 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [2,0,0,0,0,0|2,0,0]=4 1789 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [2,0,0,0,0,0|2,0,0]=4 1790 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [2,0,0,0,0,0|2,0,0]=4 1791 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [2,0,0,0,0,0|1,0,1]=4 1792 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [2,0,0,0,0,0|1,0,1]=4 1793 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [2,0,0,0,0,0|1,0,1]=4 1794 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [2,0,0,0,0,0|1,0,1]=4 1795 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [2,0,0,0,0,0|1,0,1]=4 1796 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [2,0,0,0,0,0|1,0,1]=4 1797 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [2,0,0,0,0,0|1,0,1]=4 1798 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [2,0,0,0,0,0|1,0,1]=4 1799 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [2,0,0,0,0,0|1,0,1]=4 1800 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [2,0,0,0,0,0|1,0,1]=4 1801 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [2,0,0,0,0,0|1,0,1]=4 1802 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [2,0,0,0,0,0|1,0,1]=4 1803 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [2,0,0,0,0,0|1,0,1]=4 1804 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [2,0,0,0,0,0|1,0,1]=4 1805 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [2,0,0,0,0,0|1,0,1]=4 1806 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [2,0,0,0,0,0|1,0,1]=4 1807 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [2,0,0,0,0,0|1,0,1]=4 1808 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [2,0,0,0,0,0|1,0,1]=4 1809 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [2,0,0,0,0,0|1,0,1]=4 1810 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [2,0,0,0,0,0|1,0,1]=4 1811 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [2,0,0,0,0,0|1,0,1]=4 1812 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [2,0,0,0,0,0|1,0,1]=4 1813 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [2,0,0,0,0,0|1,0,1]=4 1814 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [2,0,0,0,0,0|1,0,1]=4 1815 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [2,0,0,0,0,0|1,0,1]=4 1816 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [2,0,0,0,0,0|1,0,1]=4 1817 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [2,0,0,0,0,0|1,0,1]=4 1818 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [2,0,0,0,0,0|1,0,1]=4 1819 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [2,0,0,0,0,0|1,0,1]=4 1820 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [2,0,0,0,0,0|1,0,1]=4 1821 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [2,0,0,0,0,0|1,0,1]=4 1822 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [2,0,0,0,0,0|2,0,0]=4 1823 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [2,0,0,0,0,0|2,0,0]=4 1824 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [2,0,0,0,0,0|2,0,0]=4 1825 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [2,0,0,0,0,0|2,0,0]=4 1826 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [2,0,0,0,0,0|1,0,1]=4 1827 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [2,0,0,0,0,0|1,0,1]=4 1828 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [2,0,0,0,0,0|1,0,1]=4 1829 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [2,0,0,0,0,0|1,0,1]=4 1830 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [2,0,0,0,0,0|1,0,1]=4 1831 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [2,0,0,0,0,0|1,0,1]=4 1832 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [2,0,0,0,0,0|1,0,1]=4 1833 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [2,0,0,0,0,0|1,0,1]=4 1834 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [2,0,0,0,0,0|1,0,0]=3 1835 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [2,0,0,0,0,0|1,0,0]=3 1836 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [2,0,0,0,0,0|1,0,0]=3 1837 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [2,0,0,0,0,0|1,0,0]=3 1838 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [2,0,0,0,0,0|1,0,0]=3 1839 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [2,0,0,0,0,0|1,0,0]=3 1840 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [2,0,0,0,0,0|1,0,0]=3 1841 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [2,0,0,0,0,0|1,0,0]=3 1842 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [2,0,0,0,0,0|1,0,0]=3 1843 B8R0.7 CN(C)CCCCCF 2230a_100102631434_100000729378 [2,0,0,0,0,0|2,0,0]=4 1844 B8R0.7 CN(C)CCCCCF 269982a_100102631434_100000729378 [2,0,0,0,0,0|2,0,0]=4 1845 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [2,0,0,0,0,0|1,0,0]=3 1846 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [2,0,0,0,0,0|1,0,0]=3 1847 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [2,0,0,0,0,0|1,0,0]=3 1848 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [2,0,0,0,0,0|1,0,0]=3 1849 B8R0.7 CN(C)CCOCCO 2230a_100000228057_200000210301 [2,0,0,0,0,0|2,0,0]=4 1850 B8R0.7 CN(C)CCOCCO 2230a_100102631434_100011215305 [2,0,0,0,0,0|2,0,0]=4 1851 B8R0.7 CN(C)CCOCCO 269982a_100000228057_200000210301 [2,0,0,0,0,0|2,0,0]=4 1852 B8R0.7 CN(C)CCOCCO 269982a_100102631434_100011215305 [2,0,0,0,0,0|2,0,0]=4 1853 B8R0.7 CN(C)CCSCCO 62a_100000211926_100000755713 [2,0,0,0,0,0|2,0,0]=4 1854 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [2,0,0,0,0,0|1,0,0]=3 1855 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [2,0,0,0,0,0|1,0,0]=3 1856 B8R0.7 CN([13CH3])CCOCCO 2230a_100000228057_200025704644 [2,0,0,0,0,0|2,0,0]=4 1857 B8R0.7 CN([13CH3])CCOCCO 269982a_100000228057_200025704644 [2,0,0,0,0,0|2,0,0]=4 1858 B8R0.7 COCSCC=C(C)C 62a_100000761012_100000766300 [2,0,0,0,0,0|2,0,0]=4 1859 B8R0.7 COCSCC=C(C)C 62a_100000766300_100000761012 [2,0,0,0,0,0|2,0,0]=4 1860 B8R0.7 CSCNCC=C(C)C 34a_100000718196_100011218213 [2,0,0,0,0,0|2,0,0]=4 1861 B8R0.7 CSCOCC=C(C)C 34a_100000753907_100011218213 [2,0,0,0,0,0|2,0,0]=4 1862 B8R0.7 CSCSCC=C(C)C 62a_100000761012_100011218213 [2,0,0,0,0,0|2,0,0]=4 1863 B8R0.7 CSCSCC=C(C)C 62a_100011218213_100000761012 [2,0,0,0,0,0|2,0,0]=4 1864 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [2,0,0,0,0,0|1,0,0]=3 1865 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [2,0,0,0,0,0|2,0,0]=4 1866 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [2,0,0,0,0,0|1,0,0]=3 1867 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [2,0,0,0,0,0|1,0,0]=3 1868 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [2,0,0,0,0,0|1,0,0]=3 1869 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [2,0,0,0,0,0|1,0,0]=3 1870 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [2,0,0,0,0,0|1,0,0]=3 1871 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [2,0,0,0,0,0|1,0,0]=3 1872 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [2,0,0,0,0,0|1,0,0]=3 1873 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [2,0,0,0,0,0|1,0,0]=3 1874 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [2,0,0,0,0,0|1,0,0]=3 1875 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [2,0,0,0,0,0|0,0,2]=4 1876 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [2,0,0,0,0,0|1,0,1]=4 1877 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [2,0,0,0,0,0|1,0,1]=4 1878 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [2,0,0,0,0,0|1,0,1]=4 1879 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [2,0,0,0,0,0|2,0,0]=4 1880 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [2,0,0,0,0,0|2,0,0]=4 1881 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [2,0,0,0,0,0|2,0,0]=4 1882 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [2,0,0,0,0,0|2,0,0]=4 1883 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [2,0,0,0,0,0|2,0,0]=4 1884 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [2,0,0,0,0,0|2,0,0]=4 1885 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [2,0,0,0,0,0|1,0,1]=4 1886 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [2,0,0,0,0,0|1,0,1]=4 1887 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [2,0,0,0,0,0|1,0,1]=4 1888 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [2,0,0,0,0,0|1,0,1]=4 1889 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [2,0,0,0,0,0|1,0,1]=4 1890 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [2,0,0,0,0,0|1,0,1]=4 1891 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [2,0,0,0,0,0|1,0,1]=4 1892 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [2,0,0,0,0,0|1,0,1]=4 1893 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [2,0,0,0,0,0|1,0,1]=4 1894 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [2,0,0,0,0,0|1,0,1]=4 1895 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [2,0,0,0,0,0|1,0,1]=4 1896 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [2,0,0,0,0,0|1,0,1]=4 1897 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [2,0,0,0,0,0|1,0,1]=4 1898 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [2,0,0,0,0,0|1,0,1]=4 1899 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [2,0,0,0,0,0|1,0,1]=4 1900 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [2,0,0,0,0,0|1,0,1]=4 1901 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [2,0,0,0,0,0|1,0,1]=4 1902 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [2,0,0,0,0,0|1,0,1]=4 1903 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [2,0,0,0,0,0|2,0,0]=4 1904 B8R0.4 C/C=C/CCOCCF 34a_100016278192_100011217306 [2,0,0,0,0,0|2,0,0]=4 1905 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [2,0,0,0,0,0|1,0,0]=3 1906 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [2,0,0,0,0,0|2,0,0]=4 1907 B8R0.4 C/C=C/CNCCCF 34a_100015189416_100102629194 [2,0,0,0,0,0|2,0,0]=4 1908 B8R0.4 C/C=C/COCCCBr 34a_100011217188_100102629194 [2,0,0,0,0,0|2,0,0]=4 1909 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [2,0,0,0,0,0|2,0,0]=4 1910 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [2,0,0,0,0,0|2,0,0]=4 1911 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [2,0,0,0,0,0|2,0,0]=4 1912 B8R0.4 C/C=C/COCCCCl 34a_100000230001_100102629194 [2,0,0,0,0,0|2,0,0]=4 1913 B8R0.4 C/C=C/COCCCF 34a_100000759539_100102629194 [2,0,0,0,0,0|2,0,0]=4 1914 B8R0.4 C/C=C/COCCCF 34a_100016270725_100011934791 [2,0,0,0,0,0|2,0,0]=4 1915 B8R0.4 C/C=C/COCCCN 34a_100000182051_100102629194 [2,0,0,0,0,0|2,0,0]=4 1916 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [2,0,0,0,0,0|1,0,0]=3 1917 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [2,0,0,0,0,0|2,0,0]=4 1918 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [2,0,0,0,0,0|2,0,0]=4 1919 B8R0.4 C/C=C/CSCCCF 62a_100011934791_100102629194 [2,0,0,0,0,0|2,0,0]=4 1920 B8R0.4 C/C=C/CSCCCF 62a_100102629194_100011934791 [2,0,0,0,0,0|2,0,0]=4 1921 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [2,0,0,0,0,0|1,0,0]=3 1922 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [2,0,0,0,0,0|1,0,0]=3 1923 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [2,0,0,0,0,0|2,0,0]=4 1924 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [2,0,0,0,0,0|2,0,0]=4 1925 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [2,0,0,0,0,0|2,0,0]=4 1926 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [2,0,0,0,0,0|2,0,0]=4 1927 B8R0.4 CC=CCNCCCF 2230a_100015189416_100000070051 [2,0,0,0,0,0|2,0,0]=4 1928 B8R0.4 CC=CCNCCCF 34a_100015189416_100000070051 [2,0,0,0,0,0|2,0,0]=4 1929 B8R0.4 CC=CCOCCCBr 34a_100011217188_100000070051 [2,0,0,0,0,0|2,0,0]=4 1930 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [2,0,0,0,0,0|2,0,0]=4 1931 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [2,0,0,0,0,0|2,0,0]=4 1932 B8R0.4 CC=CCOCCCCl 34a_100000230001_100000070051 [2,0,0,0,0,0|2,0,0]=4 1933 B8R0.4 CC=CCOCCCF 34a_100000759539_100000070051 [2,0,0,0,0,0|2,0,0]=4 1934 B8R0.4 CC=CCOCCCN 34a_100000182051_100000070051 [2,0,0,0,0,0|2,0,0]=4 1935 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [2,0,0,0,0,0|2,0,0]=4 1936 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [2,0,0,0,0,0|2,0,0]=4 1937 B8R0.4 CC=CCSCCCF 62a_100000070051_100011934791 [2,0,0,0,0,0|2,0,0]=4 1938 B8R0.4 CC=CCSCCCF 62a_100011934791_100000070051 [2,0,0,0,0,0|2,0,0]=4 1939 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [2,0,0,0,0,0|1,0,0]=3 1940 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [2,0,0,0,0,0|1,0,0]=3 1941 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [2,0,0,0,0,0|1,0,1]=4 1942 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [2,0,0,0,0,0|1,0,1]=4 1943 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [2,0,0,0,0,0|1,0,1]=4 1944 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [2,0,0,0,0,0|1,0,1]=4 1945 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [2,0,0,0,0,0|1,0,1]=4 1946 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [2,0,0,0,0,0|1,0,1]=4 1947 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [2,0,0,0,0,0|1,0,1]=4 1948 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [2,0,0,0,0,0|1,0,1]=4 1949 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [2,0,0,0,0,0|1,0,1]=4 1950 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [2,0,0,0,0,0|1,0,1]=4 1951 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [2,0,0,0,0,0|1,0,1]=4 1952 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [2,0,0,0,0,0|1,0,1]=4 1953 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [2,0,0,0,0,0|1,0,1]=4 1954 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [2,0,0,0,0,0|1,0,1]=4 1955 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [2,0,0,0,0,0|1,0,1]=4 1956 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [2,0,0,0,0,0|1,0,1]=4 1957 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [2,0,0,0,0,0|1,0,1]=4 1958 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [2,0,0,0,0,0|1,0,1]=4 1959 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [2,0,0,0,0,0|1,0,1]=4 1960 B8R0.1 C/C=C/CN(C)CCC 269982a_100000747261_100102629194 [2,0,0,0,0,0|2,0,0]=4 1961 B8R0.1 C/C=C/CN(C)CCO 269982a_100000210263_100102629194 [2,0,0,0,0,0|1,0,0]=3 1962 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [2,0,0,0,0,0|1,0,1]=4 1963 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [2,0,0,0,0,0|1,0,1]=4 1964 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [2,0,0,0,0,0|2,0,0]=4 1965 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [2,0,0,0,0,0|2,0,0]=4 1966 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [2,0,0,0,0,0|2,0,0]=4 1967 B8R0.1 C=CCCC(C)OCF 34a_100000765329_100015361967 [2,0,0,0,0,0|2,0,0]=4 1968 B8R0.1 C=CCCC(C)OCF 7a_100000765329_100015361967 [2,0,0,0,0,0|2,0,0]=4 1969 B8R0.1 C=CCCN(C)CCC 2230a_100000747261_100000754431 [2,0,0,0,0,0|2,0,0]=4 1970 B8R0.1 C=CCCN(C)CCC 2230a_100020639649_100000210303 [2,0,0,0,0,0|2,0,0]=4 1971 B8R0.1 C=CCCN(C)CCC 269982a_100000747261_100000754431 [2,0,0,0,0,0|2,0,0]=4 1972 B8R0.1 C=CCCN(C)CCC 269982a_100020639649_100000210303 [2,0,0,0,0,0|2,0,0]=4 1973 B8R0.1 C=CCCN(C)CCF 2230a_100020639649_100011217306 [2,0,0,0,0,0|2,0,0]=4 1974 B8R0.1 C=CCCN(C)CCF 269982a_100020639649_100011217306 [2,0,0,0,0,0|2,0,0]=4 1975 B8R0.1 C=CCCN(C)CCO 2230a_100000210263_100000754431 [2,0,0,0,0,0|1,0,0]=3 1976 B8R0.1 C=CCCN(C)CCO 2230a_100020639649_100000211926 [2,0,0,0,0,0|1,0,0]=3 1977 B8R0.1 C=CCCN(C)CCO 269982a_100000210263_100000754431 [2,0,0,0,0,0|1,0,0]=3 1978 B8R0.1 C=CCCN(C)CCO 269982a_100020639649_100000211926 [2,0,0,0,0,0|1,0,0]=3 1979 B8R0.1 C=CCNC(C)CCC 2230a_100000741246_100000210623 [2,0,0,0,0,0|2,0,0]=4 1980 B8R0.1 C=CCNC(C)CCC 2230a_100020586998_100000766640 [2,0,0,0,0,0|2,0,0]=4 1981 B8R0.1 C=CCNC(C)CCC 270004a_100020586998_100000211909 [2,0,0,0,0,0|2,0,0]=4 1982 B8R0.1 C=CCNC(C)CCO 2230a_100020586998_100009893172 [2,0,0,0,0,0|1,0,0]=3 1983 B8R0.1 C=CCN[C@H](C)CCO 2230a_100000706166_100000210623 [2,0,0,0,0,0|1,0,0]=3 1984 B8R0.1 C=CCN[C@H](C)CCO 34a_100000706166_100015514636 [2,0,0,0,0,0|1,0,0]=3 1985 B8R0.1 C=CCOC(C)CCBr 34a_100012276601_100015514636 [2,0,0,0,0,0|2,0,0]=4 1986 B8R0.1 C=CCOC(C)CCC 34a_100000764384_100015514636 [2,0,0,0,0,0|2,0,0]=4 1987 B8R0.1 C=CCOC(C)CCC 34a_200000210373_100000766640 [2,0,0,0,0,0|2,0,0]=4 1988 B8R0.1 C=CCOC(C)CCC 7a_100000764384_100015514636 [2,0,0,0,0,0|2,0,0]=4 1989 B8R0.1 C=CCOC(C)CCO 34a_200000210373_100009893172 [2,0,0,0,0,0|1,0,0]=3 1990 B8R0.1 C=CCSC(C)CCC 62a_100000210623_100000766640 [2,0,0,0,0,0|2,0,0]=4 1991 B8R0.1 C=CCSC(C)CCC 62a_100000766640_100000210623 [2,0,0,0,0,0|2,0,0]=4 1992 B8R0.1 C=CCSC(C)CCO 62a_100000210623_100009893172 [2,0,0,0,0,0|1,0,0]=3 1993 B8R0.1 C=CCSC(C)CCO 62a_100009893172_100000210623 [2,0,0,0,0,0|1,0,0]=3 1994 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [2,0,0,0,0,0|2,0,0]=4 1995 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [2,0,0,0,0,0|2,0,0]=4 1996 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [2,0,0,0,0,0|1,0,1]=4 1997 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [2,0,0,0,0,0|1,0,1]=4 1998 B8R0.1 CC=CCN(C)CCC 2230a_100000747261_100000070051 [2,0,0,0,0,0|2,0,0]=4 1999 B8R0.1 CC=CCN(C)CCO 2230a_100000210263_100000070051 [2,0,0,0,0,0|1,0,0]=3 2000 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [2,0,0,0,0,0|2,0,0]=4 2001 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [2,0,0,0,0,0|2,0,0]=4 2002 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [2,0,0,0,0,0|2,0,0]=4 2003 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [2,0,0,0,0,0|2,0,0]=4 2004 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [2,0,0,0,0,0|1,0,1]=4 2005 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [2,0,0,0,0,0|1,0,1]=4 2006 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [2,0,0,0,0,0|1,0,1]=4 2007 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [2,0,0,0,0,0|1,0,1]=4 2008 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [2,0,0,0,0,0|1,0,1]=4 2009 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [2,0,0,0,0,0|1,0,1]=4 2010 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [2,0,0,0,0,0|1,0,1]=4 2011 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [2,0,0,0,0,0|1,0,1]=4 2012 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [2,0,0,0,0,0|1,0,1]=4 2013 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [2,0,0,0,0,0|1,0,1]=4 2014 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [2,0,0,0,0,0|1,0,1]=4 2015 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [2,0,0,0,0,0|1,0,1]=4 2016 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [2,0,0,0,0,0|1,0,1]=4 2017 B8R0.1 COCCN(C)CCO 2230a_100000210263_100011201679 [2,0,0,0,0,0|2,0,0]=4 2018 B8R0.1 COCCN(C)CCO 2230a_100000743101_100000211926 [2,0,0,0,0,0|2,0,0]=4 2019 B8R0.1 COCCN(C)CCO 269982a_100000210263_100000233755 [2,0,0,0,0,0|2,0,0]=4 2020 B8R0.1 COCCN(C)CCO 269982a_100000743101_100000211926 [2,0,0,0,0,0|2,0,0]=4 2021 B8R0.1 COCN[C@H](C)CCO 2230a_100000706166_100000766300 [2,0,0,0,0,0|2,0,0]=4 2022 B8R0.1 COCSC(C)CCO 62a_100000766300_100009893172 [2,0,0,0,0,0|2,0,0]=4 2023 B8R0.1 COCSC(C)CCO 62a_100009893172_100000766300 [2,0,0,0,0,0|2,0,0]=4 2024 B8R0.1 CSCCN(C)CCO 2230a_100000210263_100000751147 [2,0,0,0,0,0|2,0,0]=4 2025 B8R0.1 CSCCN(C)CCO 2230a_100000686725_100000211926 [2,0,0,0,0,0|2,0,0]=4 2026 B8R0.1 CSCCN(C)CCO 269982a_100000210263_100000212216 [2,0,0,0,0,0|2,0,0]=4 2027 B8R0.1 CSCCN(C)CCO 269982a_100000686725_100000211926 [2,0,0,0,0,0|2,0,0]=4 2028 B8R0.1 CSCN[C@H](C)CCO 2230a_100000706166_100011218213 [2,0,0,0,0,0|2,0,0]=4 2029 B8R0.1 CSCN[C@H](C)CCO 34a_100000706166_100011218213 [2,0,0,0,0,0|2,0,0]=4 2030 B8R0.1 CSCSC(C)CCO 62a_100009893172_100011218213 [2,0,0,0,0,0|2,0,0]=4 2031 B8R0.1 CSCSC(C)CCO 62a_100011218213_100009893172 [2,0,0,0,0,0|2,0,0]=4 2032 B8R0.1 C[C@H](CCO)NCC=O 2230a_100000706166_200015260668 [2,0,0,0,0,0|2,0,0]=4 2033 B8R0.1 C[C@H](CCO)NCC=O 34a_100000706166_200009817547 [2,0,0,0,0,0|2,0,0]=4 2034 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)C 1458a_100000211388_100000059175 [1,1,0,0,0,0|0,0,1]=3 2035 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)Cl 1458a_200042562850_100000059175 [1,1,0,0,0,0|1,0,1]=4 2036 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)I 1458a_100025716642_100000059175 [1,1,0,0,0,0|1,0,1]=4 2037 B10R0.44 CC(=CC(=O)N[C@H](C)CO)C 240690a_100000737577_100000211388 [1,1,0,0,0,0|1,0,1]=4 2038 B10R0.44 CC(=CC(C)OC(C)CO)C 34a_100000717055_100012180447 [1,1,0,0,0,0|1,0,0]=3 2039 B10R0.44 CCC(C)CC(=O)C=C(C)C 1458a_100000211388_100000748023 [1,1,0,0,0,0|0,0,1]=3 2040 B10R0.44 CCC(C)CC(=O)C=C(C)Cl 1458a_200042562850_100000748023 [1,1,0,0,0,0|1,0,1]=4 2041 B10R0.44 CCC(C)CC(=O)C=C(C)I 1458a_100025716642_100000748023 [1,1,0,0,0,0|1,0,1]=4 2042 B10R0.44 CCC(C)CC(C)NC(=O)C 11a_100000763565_100015343762 [1,1,0,0,0,0|2,0,0]=4 2043 B10R0.44 CCC(C)CC(C)NC(=O)C 1626a_100000763565_100015343762 [1,1,0,0,0,0|2,0,0]=4 2044 B10R0.44 CCC(C)CC(C)NC(=O)C 240690a_100000763565_100015343762 [1,1,0,0,0,0|2,0,0]=4 2045 B10R0.44 CCC(C)CC(C)NC(=O)C 527a_100000763565_100103153847 [1,1,0,0,0,0|2,0,0]=4 2046 B10R0.44 CCC(C)CC(C)NC(C)C 2230a_100000763565_100000210206 [1,1,0,0,0,0|1,0,1]=4 2047 B10R0.44 CCC(C)NC(=O)C=C(C)C 11a_100000209981_100000211388 [1,1,0,0,0,0|1,0,1]=4 2048 B10R0.44 CCC(C)NC(=O)C=C(C)C 1626a_100000209981_100000211388 [1,1,0,0,0,0|1,0,1]=4 2049 B10R0.44 CCC(C)NC(=O)C=C(C)C 240690a_100000209981_100000211388 [1,1,0,0,0,0|1,0,1]=4 2050 B10R0.44 CCC(C)OC(C)C=C(C)C 34a_100000717055_100011215416 [1,1,0,0,0,0|1,0,0]=3 2051 B10R0.44 CCC(O)CC(=O)C=C(C)C 1458a_100000211388_100011218378 [1,1,0,0,0,0|1,0,1]=4 2052 B10R0.44 CC[C@H](C)CC(=O)C=C(C)C 1458a_100000211388_100009816398 [1,1,0,0,0,0|0,0,1]=3 2053 B10R0.44 CC[C@H](C)CC(=O)C=C(C)Cl 1458a_200042562850_100009816398 [1,1,0,0,0,0|1,0,1]=4 2054 B10R0.44 CC[C@H](C)CC(=O)C=C(C)I 1458a_100025716642_100009816398 [1,1,0,0,0,0|1,0,1]=4 2055 B10R0.57 CC(=CCC(=O)C(O)CO)C 1458a_100011215603_100000761012 [1,1,0,0,0,0|1,0,1]=4 2056 B10R0.57 CC(=CCN(C)C(C)CO)C 2230a_100000693034_100000761012 [1,1,0,0,0,0|1,0,0]=3 2057 B10R0.57 CC(=CCN(C)C(C)CO)C 269982a_100000693034_100000761012 [1,1,0,0,0,0|1,0,0]=3 2058 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011192722_100000761012 [1,1,0,0,0,0|0,0,1]=3 2059 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011220947_100000758301 [1,1,0,0,0,0|0,0,1]=3 2060 B10R0.57 CCC(C)N(C)CC=C(C)C 2230a_100000741768_100000761012 [1,1,0,0,0,0|1,0,0]=3 2061 B10R0.57 CCC(C)N(C)CC=C(C)C 269982a_100000741768_100000761012 [1,1,0,0,0,0|1,0,0]=3 2062 B10R0.57 CCC(O)C(=O)CC=C(C)C 1458a_100011196387_100000761012 [1,1,0,0,0,0|1,0,1]=4 2063 B10R0.57 CCN(C)C(=O)CC=C(C)C 11a_100000225621_100011220947 [1,1,0,0,0,0|1,0,1]=4 2064 B10R0.57 CCN(C)C(=O)CC=C(C)C 1626a_100000225621_100011220947 [1,1,0,0,0,0|1,0,1]=4 2065 B10R0.57 CCN(C)C(=O)CC=C(C)C 240690a_100000225621_100011220947 [1,1,0,0,0,0|1,0,1]=4 2066 B10R0.57 CCN(C)C(=O)CC=C(C)C 527a_100000225621_100011220947 [1,1,0,0,0,0|1,0,1]=4 2067 B10R0.57 COC(C)C(=O)CC=C(C)C 1458a_100000743197_100000761012 [1,1,0,0,0,0|1,0,1]=4 2068 B10R0.57 CSC(C)C(=O)CC=C(C)C 1458a_100000149566_100000761012 [1,1,0,0,0,0|1,0,1]=4 2069 B10R0.59 C#C/C(=C\COC(C)CC)/C 34a_100016990848_100011215416 [1,1,0,0,0,0|1,0,1]=4 2070 B10R0.59 C#C/C(=C\COC(C)CO)/C 34a_100016990848_100012180447 [1,1,0,0,0,0|1,0,1]=4 2071 B10R0.59 C/C=C(\C)/C=NNC(C)CC 4a_100000718999_100020587592 [1,1,0,0,0,0|2,0,0]=4 2072 B10R0.59 CC(CO)CCNC(=O)CO 240690a_106354213184_100000210174 [1,1,0,0,0,0|2,0,0]=4 2073 B10R0.59 CC(CO)CCNC(=O)CO 527a_106354213184_100000210174 [1,1,0,0,0,0|2,0,0]=4 2074 B10R0.59 CC(CO)CCNC(C)CO 2230a_106354213184_100012180447 [1,1,0,0,0,0|1,0,1]=4 2075 B10R0.59 CC(CO)CCNC(C)CO 34a_106354213184_100012180447 [1,1,0,0,0,0|1,0,1]=4 2076 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [1,1,0,0,0,0|2,0,0]=4 2077 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [1,1,0,0,0,0|2,0,0]=4 2078 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [1,1,0,0,0,0|2,0,0]=4 2079 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [1,1,0,0,0,0|2,0,0]=4 2080 B10R0.59 CCC(=O)NCCC(C)CO 240690a_106354213184_100000210414 [1,1,0,0,0,0|2,0,0]=4 2081 B10R0.59 CCC(=O)NCCC(C)CO 527a_106354213184_100000210414 [1,1,0,0,0,0|2,0,0]=4 2082 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [1,1,0,0,0,0|2,0,0]=4 2083 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [1,1,0,0,0,0|2,0,0]=4 2084 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [1,1,0,0,0,0|2,0,0]=4 2085 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [1,1,0,0,0,0|2,0,0]=4 2086 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [1,1,0,0,0,0|2,0,0]=4 2087 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [1,1,0,0,0,0|2,0,0]=4 2088 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [1,1,0,0,0,0|2,0,0]=4 2089 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [1,1,0,0,0,0|2,0,0]=4 2090 B10R0.59 CCC(C)CCNC(C)CC 2230a_100020591266_100000758301 [1,1,0,0,0,0|1,0,1]=4 2091 B10R0.59 CCC(C)CCNC(C)CO 2230a_100020591266_100012180447 [1,1,0,0,0,0|1,0,1]=4 2092 B10R0.59 CCC(C)CCOC(C)CC 7a_100011215188_100000758301 [1,1,0,0,0,0|1,0,1]=4 2093 B10R0.59 CCC(C)CCOC(C)CO 7a_100011215188_100012180447 [1,1,0,0,0,0|1,0,1]=4 2094 B10R0.59 CCC(C)NCCC(C)CO 2230a_106354213184_100000758301 [1,1,0,0,0,0|1,0,1]=4 2095 B10R0.59 CCC(C)NCCC(C)CO 34a_106354213184_100011215416 [1,1,0,0,0,0|1,0,1]=4 2096 B10R0.59 CNC(=O)NCCC(C)CO 2708a_100102657272_106354213184 [1,1,0,0,0,0|2,0,0]=4 2097 B10R0.59 CNC(=O)NCCC(C)CO 273464a_100102657272_106354213184 [1,1,0,0,0,0|2,0,0]=4 2098 B10R0.59 CNC(=O)NCCC(C)CO 273464a_106354213184_100102657272 [1,1,0,0,0,0|2,0,0]=4 2099 B10R0.59 CNC(=O)NCCC(C)CO 512a_106354213184_100102657272 [1,1,0,0,0,0|2,0,0]=4 2100 B10R0.59 CNC(=O)NCCC(C)CO 512a_106832991638_106354213184 [1,1,0,0,0,0|2,0,0]=4 2101 B10R0.60 CC(CO)CCNC(C)(C)C 34a_106354213184_100000210625 [1,1,0,0,0,0|1,0,1]=4 2102 B10R0.65 CC(=CCNC(C)(C)CO)C 2230a_100000210608_100000761012 [1,1,0,0,0,0|1,0,0]=3 2103 B10R0.65 CC(=CCOC(C)(C)CCl)C 7a_100000764493_100000761012 [1,1,0,0,0,0|2,0,0]=4 2104 B10R0.65 CC(=CCSC(F)(F)CO)C 62a_100000761012_100011217949 [1,1,0,0,0,0|2,0,0]=4 2105 B10R0.65 CC(=CCSC(F)(F)CO)C 62a_100011217949_100000761012 [1,1,0,0,0,0|2,0,0]=4 2106 B10R0.65 CCC(C)(C)NCC=C(C)C 2230a_100000211385_100000761012 [1,1,0,0,0,0|1,0,0]=3 2107 B10R0.65 CCC(C)(C)OCC=C(C)C 7a_100000210230_100000761012 [1,1,0,0,0,0|1,0,0]=3 2108 B10R0.65 CCC(C)(C)SCC=C(C)C 62a_100000032637_100000761012 [1,1,0,0,0,0|1,0,0]=3 2109 B10R0.65 CCC(C)(C)SCC=C(C)C 62a_100000761012_100000032637 [1,1,0,0,0,0|1,0,0]=3 2110 B10R0.77 C#CC(CC)OCC=C(C)C 34a_100000758843_100000761012 [1,1,0,0,0,0|1,0,1]=4 2111 B10R0.77 C#CC(CC)OCC=C(C)C 7a_100000758843_100000761012 [1,1,0,0,0,0|1,0,1]=4 2112 B10R0.77 C=CC(CC)OCC=C(C)C 34a_100000766422_100000761012 [1,1,0,0,0,0|1,0,1]=4 2113 B10R0.77 C=CC(CC)OCC=C(C)C 7a_100000766422_100000761012 [1,1,0,0,0,0|1,0,1]=4 2114 B10R0.77 C=C[C@@H](CO)NCC=C(C)C 2230a_100016989147_100000761012 [1,1,0,0,0,0|1,0,1]=4 2115 B10R0.77 C=C[C@@H](CO)NCC=C(C)C 34a_100016989147_100000761012 [1,1,0,0,0,0|1,0,1]=4 2116 B10R0.77 CC(=CCNC(CO)CO)C 2230a_100000759517_100000761012 [1,1,0,0,0,0|1,0,0]=3 2117 B10R0.77 CC(=CCOC(CCl)CCl)C 7a_100000737055_100000761012 [1,1,0,0,0,0|2,0,0]=4 2118 B10R0.77 CC(=CCOC(CF)CF)C 34a_100000032261_100000761012 [1,1,0,0,0,0|2,0,0]=4 2119 B10R0.77 CC(=CCOC(CF)CF)C 7a_100000032261_100000761012 [1,1,0,0,0,0|2,0,0]=4 2120 B10R0.77 CC(=CCOC(CN)CN)C 34a_100000031598_100000761012 [1,1,0,0,0,0|2,0,0]=4 2121 B10R0.77 CC(=CCO[C@@H](CF)CCl)C 34a_100015614560_100000761012 [1,1,0,0,0,0|2,0,0]=4 2122 B10R0.77 CC(=CCO[C@@H](CF)CCl)C 7a_100015614560_100000761012 [1,1,0,0,0,0|2,0,0]=4 2123 B10R0.77 CCC(CC)NCC=C(C)C 2230a_100000199018_100000761012 [1,1,0,0,0,0|1,0,0]=3 2124 B10R0.77 CCC(CC)NCC=C(C)C 270004a_100000718196_100000210860 [1,1,0,0,0,0|1,0,0]=3 2125 B10R0.77 CCC(CC)OCC=C(C)C 7a_100000688536_100000761012 [1,1,0,0,0,0|1,0,0]=3 2126 B10R0.77 CCC(CC)SCC=C(C)C 62a_100000210505_100000761012 [1,1,0,0,0,0|1,0,0]=3 2127 B10R0.77 CCC(CC)SCC=C(C)C 62a_100000761012_100000210505 [1,1,0,0,0,0|1,0,0]=3 2128 B10R0.77 CCN(CC)CCC=C(C)C 2230a_100000724800_100011217483 [1,1,0,0,0,0|1,0,0]=3 2129 B10R0.77 CCN(CC)CCC=C(C)C 269956a_100000042499_100011217483 [1,1,0,0,0,0|1,0,0]=3 2130 B10R0.77 CCN(CC)CCC=C(C)C 269982a_100000724800_100011217483 [1,1,0,0,0,0|1,0,0]=3 2131 B10R0.77 CC[C@@H](CO)NCC=C(C)C 2230a_100000709445_100000761012 [1,1,0,0,0,0|1,0,0]=3 2132 B10R0.82 C=C(C)C(=O)NCC(C)CC 11a_100020588543_100000185857 [1,1,0,0,0,0|1,0,1]=4 2133 B10R0.82 C=C(C)C(=O)NCC(C)CC 1626a_100020588543_100000185857 [1,1,0,0,0,0|1,0,1]=4 2134 B10R0.82 CC(=O)C(=O)CSC(C)CO 62a_100012180447_100011261029 [1,1,0,0,0,0|2,0,0]=4 2135 B10R0.82 CC(=O)C(=O)CS[C@H](C)CO 62a_100011261029_100016084084 [1,1,0,0,0,0|2,0,0]=4 2136 B10R0.82 CC(=O)C(=O)CS[C@H](C)CO 62a_100016084084_100011261029 [1,1,0,0,0,0|2,0,0]=4 2137 B10R0.82 CC(C)C(=O)CN[C@H](C)CO 2230a_100000737577_100000753385 [1,1,0,0,0,0|1,0,1]=4 2138 B10R0.82 CC(C)C(=O)CS[C@H](C)CO 62a_100000753385_100016084084 [1,1,0,0,0,0|1,0,1]=4 2139 B10R0.82 CC(C)C(=O)CS[C@H](C)CO 62a_100016084084_100000753385 [1,1,0,0,0,0|1,0,1]=4 2140 B10R0.82 CC(CO)CNC(=O)C(C)C 240690a_100000744482_100000210198 [1,1,0,0,0,0|1,0,1]=4 2141 B10R0.82 CC(CO)CNC(=O)C(C)C 527a_100000744482_100000210198 [1,1,0,0,0,0|1,0,1]=4 2142 B10R0.82 CC(CO)NCC(=O)N(C)C 2230a_100015183351_100012180447 [1,1,0,0,0,0|2,0,0]=4 2143 B10R0.82 CC(CO)SCC(=O)C(C)C 62a_100012180447_100000753385 [1,1,0,0,0,0|1,0,1]=4 2144 B10R0.82 CC(CO)SCC(=O)N(C)C 62a_100012180447_100000692301 [1,1,0,0,0,0|2,0,0]=4 2145 B10R0.82 CCC(C)CCC(=O)C(C)C 1458a_100000701222_100000210206 [1,1,0,0,0,0|0,0,1]=3 2146 B10R0.82 CCC(C)CCC(=O)N(C)C 11a_100102631434_100000701222 [1,1,0,0,0,0|1,0,0]=3 2147 B10R0.82 CCC(C)CCC(=O)N(C)C 1626a_100102631434_100000701222 [1,1,0,0,0,0|1,0,0]=3 2148 B10R0.82 CCC(C)CCC(=O)N(C)C 240690a_100102631434_100000701222 [1,1,0,0,0,0|1,0,0]=3 2149 B10R0.82 CCC(C)CCC(=O)N(C)C 527a_100102631434_100000701222 [1,1,0,0,0,0|1,0,0]=3 2150 B10R0.82 CCC(C)CNC(=O)C(C)C 11a_100020588543_100000210198 [1,1,0,0,0,0|1,0,1]=4 2151 B10R0.82 CCC(C)CNC(=O)C(C)C 1626a_100020588543_100000210198 [1,1,0,0,0,0|1,0,1]=4 2152 B10R0.82 CCC(C)CNC(=O)C(C)C 240690a_100020588543_100000210198 [1,1,0,0,0,0|1,0,1]=4 2153 B10R0.82 CCC(C)CNC(=O)C(C)C 527a_100020588543_100000210198 [1,1,0,0,0,0|1,0,1]=4 2154 B10R0.82 CCC(C)CNC(=O)N(C)C 2708a_100020588543_100102631434 [1,1,0,0,0,0|2,0,0]=4 2155 B10R0.82 CCC(C)NCC(=O)C(C)C 2230a_100000209981_100000753385 [1,1,0,0,0,0|1,0,1]=4 2156 B10R0.82 CCC(C)NCC(=O)N(C)C 2230a_100000209981_100000185267 [1,1,0,0,0,0|2,0,0]=4 2157 B10R0.82 CCC(C)NCC(=O)N(C)C 2230a_100015183351_100000758301 [1,1,0,0,0,0|2,0,0]=4 2158 B10R0.82 CCC(C)OCC(=O)C(C)C 7a_100000210228_100000753385 [1,1,0,0,0,0|1,0,1]=4 2159 B10R0.82 CCC(C)OCC(=O)N(C)C 7a_100000210228_100000692301 [1,1,0,0,0,0|2,0,0]=4 2160 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100000758301_100011261029 [1,1,0,0,0,0|2,0,0]=4 2161 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100011261029_100000758301 [1,1,0,0,0,0|2,0,0]=4 2162 B10R0.82 CCC(C)SCC(=O)C(C)C 62a_100000753385_100000758301 [1,1,0,0,0,0|1,0,1]=4 2163 B10R0.82 CCC(C)SCC(=O)C(C)C 62a_100000758301_100000753385 [1,1,0,0,0,0|1,0,1]=4 2164 B10R0.82 CCC(C)SCC(=O)N(C)C 62a_100000692301_100000758301 [1,1,0,0,0,0|2,0,0]=4 2165 B10R0.82 CCC(C)SCC(=O)N(C)C 62a_100000758301_100000692301 [1,1,0,0,0,0|2,0,0]=4 2166 B10R0.82 CCC(O)CCC(=O)N(C)C 1626a_100102631434_203496584001 [1,1,0,0,0,0|2,0,0]=4 2167 B10R0.82 CCC(O)CCC(=O)N(C)C 240690a_100102631434_203496584001 [1,1,0,0,0,0|2,0,0]=4 2168 B10R0.82 CCN(C)CCC(=O)C(C)C 1458a_100000755305_100000210206 [1,1,0,0,0,0|1,0,1]=4 2169 B10R0.82 CCN(C)CCC(=O)N(C)C 2230a_100000225621_100000737620 [1,1,0,0,0,0|2,0,0]=4 2170 B10R0.82 CCN(C)CCC(=O)N(C)C 240690a_100102631434_100000755305 [1,1,0,0,0,0|2,0,0]=4 2171 B10R0.82 CCN(C)CCC(=O)N(C)C 269982a_100000225621_100000737620 [1,1,0,0,0,0|2,0,0]=4 2172 B10R0.82 C[C@H](CO)NCC(=O)N(C)C 2230a_100000737577_100000185267 [1,1,0,0,0,0|2,0,0]=4 2173 B10R0.82 C[C@H](CO)SCC(=O)N(C)C 62a_100000692301_100016084084 [1,1,0,0,0,0|2,0,0]=4 2174 B10R0.82 C[C@H](CO)SCC(=O)N(C)C 62a_100016084084_100000692301 [1,1,0,0,0,0|2,0,0]=4 2175 B10R0.98 CC(=CCCC(=O)C(C)C)C 1458a_100000210198_100011217483 [1,1,0,0,0,0|1,0,1]=4 2176 B10R0.98 CC(=CCCC(=O)C(C)F)C 1458a_100000062450_100011217483 [1,1,0,0,0,0|1,0,1]=4 2177 B10R0.98 CC(=CCCC(=O)C(O)O)C 1458a_100000233687_100011217483 [1,1,0,0,0,0|1,0,1]=4 2178 B10R0.98 CC(=CCCC(=O)[C@@H](C)O)C 1458a_100000717761_100011217483 [1,1,0,0,0,0|1,0,1]=4 2179 B10R0.98 CC(=CCCC(=O)[C@H](C)O)C 1458a_217856618621_100011217483 [1,1,0,0,0,0|1,0,1]=4 2180 B10R0.98 CC(=CCCC(C)N(C)C)C 270004a_100102631434_100000765506 [1,1,0,0,0,0|1,0,0]=3 2181 B10R0.98 CC(=CCCN(C)C(C)C)C 269982a_200000211004_100011217483 [1,1,0,0,0,0|1,0,0]=3 2182 B10R0.98 CC(=CCNC(C)C(C)C)C 2230a_100000211541_100000761012 [1,1,0,0,0,0|1,0,0]=3 2183 B10R0.98 CC(=CCN[C@@H](C)C(=O)O)C 269956a_100000743915_100000761012 [1,1,0,0,0,0|1,0,1]=4 2184 B10R0.98 CC(=CCOC(C)C(C)C)C 7a_100000748068_100000761012 [1,1,0,0,0,0|1,0,0]=3 2185 B10R0.98 CC(=O)C(C)OCC=C(C)C 34a_100000212229_100000761012 [1,1,0,0,0,0|1,0,1]=4 2186 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100000761012_100009814033 [1,1,0,0,0,0|1,0,1]=4 2187 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100009814033_100000761012 [1,1,0,0,0,0|1,0,1]=4 2188 B10R0.4 C#CCCCNCC=C(C)C 34a_100000718082_100000761012 [1,1,0,0,0,0|1,0,1]=4 2189 B10R0.4 C#CCCCNCC=C(C)C 34a_100000718196_100000695029 [1,1,0,0,0,0|1,0,1]=4 2190 B10R0.4 C#CCCCOCC=C(C)C 34a_100000215630_100000761012 [1,1,0,0,0,0|1,0,1]=4 2191 B10R0.4 C#CCCCOCC=C(C)C 34a_100000753907_100000695029 [1,1,0,0,0,0|1,0,1]=4 2192 B10R0.4 C#CCCCOCC=C(C)C 7a_100000215630_100000761012 [1,1,0,0,0,0|1,0,1]=4 2193 B10R0.4 C#CCCCSCC=C(C)C 62a_100000761012_100011215417 [1,1,0,0,0,0|1,0,1]=4 2194 B10R0.4 C#CCCCSCC=C(C)C 62a_100011215417_100000761012 [1,1,0,0,0,0|1,0,1]=4 2195 B10R0.4 C#CCCNCCC=C(C)C 34a_100000755551_100011217483 [1,1,0,0,0,0|1,0,1]=4 2196 B10R0.4 C#CCCOCCC=C(C)C 34a_100011215631_100011217483 [1,1,0,0,0,0|1,0,1]=4 2197 B10R0.4 C#CCCSCCC=C(C)C 62a_100000688953_100011217483 [1,1,0,0,0,0|1,0,1]=4 2198 B10R0.4 C#CCCSCCC=C(C)C 62a_100011217483_100000688953 [1,1,0,0,0,0|1,0,1]=4 2199 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [1,1,0,0,0,0|0,0,2]=4 2200 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [1,1,0,0,0,0|0,0,2]=4 2201 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [1,1,0,0,0,0|0,0,2]=4 2202 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [1,1,0,0,0,0|0,0,2]=4 2203 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [1,1,0,0,0,0|0,0,2]=4 2204 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [1,1,0,0,0,0|0,0,2]=4 2205 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [1,1,0,0,0,0|0,0,2]=4 2206 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [1,1,0,0,0,0|0,0,2]=4 2207 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [1,1,0,0,0,0|0,0,2]=4 2208 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [1,1,0,0,0,0|0,0,2]=4 2209 B10R0.4 C=CCCCNCC=C(C)C 2230a_100000700776_100000761012 [1,1,0,0,0,0|1,0,1]=4 2210 B10R0.4 C=CCCCNCC=C(C)C 34a_100000700776_100000761012 [1,1,0,0,0,0|1,0,1]=4 2211 B10R0.4 C=CCCCNCC=C(C)C 34a_100000718196_100000757094 [1,1,0,0,0,0|1,0,1]=4 2212 B10R0.4 C=CCCCOCC=C(C)C 34a_100000753907_100000757094 [1,1,0,0,0,0|1,0,1]=4 2213 B10R0.4 C=CCCCOCC=C(C)C 34a_100000758997_100000761012 [1,1,0,0,0,0|1,0,1]=4 2214 B10R0.4 C=CCCCOCC=C(C)C 7a_100000758997_100000761012 [1,1,0,0,0,0|1,0,1]=4 2215 B10R0.4 C=CCCCSCC=C(C)C 62a_100000761012_100000757094 [1,1,0,0,0,0|1,0,1]=4 2216 B10R0.4 C=CCCCSCC=C(C)C 62a_100011713584_100000761012 [1,1,0,0,0,0|1,0,1]=4 2217 B10R0.4 C=CCCNCCC=C(C)C 2230a_100015191253_100011217483 [1,1,0,0,0,0|1,0,1]=4 2218 B10R0.4 C=CCCOCCC=C(C)C 34a_100011205117_100011217483 [1,1,0,0,0,0|1,0,1]=4 2219 B10R0.4 C=CCCSCCC=C(C)C 62a_100000754431_100011217483 [1,1,0,0,0,0|1,0,1]=4 2220 B10R0.4 C=CCCSCCC=C(C)C 62a_100011217483_100000754431 [1,1,0,0,0,0|1,0,1]=4 2221 B10R0.4 CC(=CCCNCCCF)C 2230a_100015189416_100011217483 [1,1,0,0,0,0|1,0,0]=3 2222 B10R0.4 CC(=CCCNCCCF)C 34a_100015189416_100011217483 [1,1,0,0,0,0|1,0,0]=3 2223 B10R0.4 CC(=CCCOCCCBr)C 34a_100011217188_100011217483 [1,1,0,0,0,0|1,0,0]=3 2224 B10R0.4 CC(=CCCOCCCCl)C 34a_100000230001_100011217483 [1,1,0,0,0,0|1,0,0]=3 2225 B10R0.4 CC(=CCCOCCCF)C 34a_100000759539_100011217483 [1,1,0,0,0,0|1,0,0]=3 2226 B10R0.4 CC(=CCCOCCCN)C 34a_100000182051_100011217483 [1,1,0,0,0,0|1,0,0]=3 2227 B10R0.4 CC(=CCCOCCON)C 34a_100000700252_100011217483 [1,1,0,0,0,0|1,0,0]=3 2228 B10R0.4 CC(=CCCSCCC#N)C 62a_100011215226_100011217483 [1,1,0,0,0,0|1,0,1]=4 2229 B10R0.4 CC(=CCCSCCC#N)C 62a_100011217483_100011215226 [1,1,0,0,0,0|1,0,1]=4 2230 B10R0.4 CC(=CCCSCCCF)C 62a_100011217483_100011934791 [1,1,0,0,0,0|1,0,0]=3 2231 B10R0.4 CC(=CCCSCCCF)C 62a_100011934791_100011217483 [1,1,0,0,0,0|1,0,0]=3 2232 B10R0.4 CC(=CCCSCCCO)C 62a_100011215043_100011217483 [1,1,0,0,0,0|0,0,0]=2 2233 B10R0.4 CC(=CCCSCCCO)C 62a_100011217483_100011215043 [1,1,0,0,0,0|0,0,0]=2 2234 B10R0.4 CC(=CCNCC#CCO)C 34a_100000718196_200000047223 [1,1,0,0,0,0|0,0,2]=4 2235 B10R0.4 CC(=CCNCCCCF)C 34a_100000718196_100000729493 [1,1,0,0,0,0|1,0,0]=3 2236 B10R0.4 CC(=CCNCCCCO)C 2230a_100000750430_100000761012 [1,1,0,0,0,0|0,0,0]=2 2237 B10R0.4 CC(=CCNCCCCO)C 34a_100000718196_100011216708 [1,1,0,0,0,0|0,0,0]=2 2238 B10R0.4 CC(=CCNCCCCO)C 34a_100000750430_100000761012 [1,1,0,0,0,0|0,0,0]=2 2239 B10R0.4 CC(=CCOCC#CCO)C 34a_100000753907_200000047223 [1,1,0,0,0,0|0,0,2]=4 2240 B10R0.4 CC(=CCOCCCCBr)C 34a_100011216708_100000761012 [1,1,0,0,0,0|1,0,0]=3 2241 B10R0.4 CC(=CCOCCCCCl)C 34a_100000210776_100000761012 [1,1,0,0,0,0|1,0,0]=3 2242 B10R0.4 CC(=CCOCCCCCl)C 7a_100000210776_100000761012 [1,1,0,0,0,0|1,0,0]=3 2243 B10R0.4 CC(=CCOCCCCF)C 34a_100000753907_100000729493 [1,1,0,0,0,0|1,0,0]=3 2244 B10R0.4 CC(=CCOCCCCF)C 34a_100011995726_100000761012 [1,1,0,0,0,0|1,0,0]=3 2245 B10R0.4 CC(=CCOCCCCF)C 7a_100011995726_100000761012 [1,1,0,0,0,0|1,0,0]=3 2246 B10R0.4 CC(=CCOCCCCI)C 34a_200012148704_100000761012 [1,1,0,0,0,0|1,0,0]=3 2247 B10R0.4 CC(=CCOCCCCN)C 34a_100000750430_100000761012 [1,1,0,0,0,0|1,0,0]=3 2248 B10R0.4 CC(=CCOCCCCO)C 34a_100000753907_100011216708 [1,1,0,0,0,0|0,0,0]=2 2249 B10R0.4 CC(=CCSCC#CCO)C 62a_100000761012_200000047223 [1,1,0,0,0,0|0,0,2]=4 2250 B10R0.4 CC(=CCSCC#CCO)C 62a_200000047223_100000761012 [1,1,0,0,0,0|0,0,2]=4 2251 B10R0.4 CC(=CCSCCCC#N)C 62a_100000687738_100000761012 [1,1,0,0,0,0|1,0,1]=4 2252 B10R0.4 CC(=CCSCCCC#N)C 62a_100000761012_100000687738 [1,1,0,0,0,0|1,0,1]=4 2253 B10R0.4 CC(=CCSCCCC=O)C 62a_100000761012_200011292268 [1,1,0,0,0,0|0,0,2]=4 2254 B10R0.4 CC(=CCSCCCC=O)C 62a_200011292268_100000761012 [1,1,0,0,0,0|0,0,2]=4 2255 B10R0.4 CC(=CCSCCCCF)C 62a_100000729493_100000761012 [1,1,0,0,0,0|1,0,0]=3 2256 B10R0.4 CC(=CCSCCCCF)C 62a_100000761012_100000729493 [1,1,0,0,0,0|1,0,0]=3 2257 B10R0.4 CC(=CCSCCCCO)C 62a_100000210776_100000761012 [1,1,0,0,0,0|0,0,0]=2 2258 B10R0.4 CC(=CCSCCCCO)C 62a_100000761012_100000210776 [1,1,0,0,0,0|0,0,0]=2 2259 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,1,0,0,0,0|1,0,1]=4 2260 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,1,0,0,0,0|1,0,1]=4 2261 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [1,1,0,0,0,0|1,0,1]=4 2262 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [1,1,0,0,0,0|1,0,1]=4 2263 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [1,1,0,0,0,0|1,0,1]=4 2264 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [1,1,0,0,0,0|1,0,1]=4 2265 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [1,1,0,0,0,0|1,0,1]=4 2266 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [1,1,0,0,0,0|1,0,1]=4 2267 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [1,1,0,0,0,0|1,0,1]=4 2268 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [1,1,0,0,0,0|1,0,1]=4 2269 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [1,1,0,0,0,0|1,0,1]=4 2270 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [1,1,0,0,0,0|1,0,1]=4 2271 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [1,1,0,0,0,0|1,0,1]=4 2272 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [1,1,0,0,0,0|1,0,1]=4 2273 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [1,1,0,0,0,0|1,0,1]=4 2274 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [1,1,0,0,0,0|1,0,1]=4 2275 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [1,1,0,0,0,0|2,0,0]=4 2276 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [1,1,0,0,0,0|2,0,0]=4 2277 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [1,1,0,0,0,0|2,0,0]=4 2278 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [1,1,0,0,0,0|2,0,0]=4 2279 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [1,1,0,0,0,0|2,0,0]=4 2280 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [1,1,0,0,0,0|2,0,0]=4 2281 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [1,1,0,0,0,0|2,0,0]=4 2282 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [1,1,0,0,0,0|2,0,0]=4 2283 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [1,1,0,0,0,0|2,0,0]=4 2284 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [1,1,0,0,0,0|2,0,0]=4 2285 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [1,1,0,0,0,0|2,0,0]=4 2286 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [1,1,0,0,0,0|2,0,0]=4 2287 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [1,1,0,0,0,0|2,0,0]=4 2288 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [1,1,0,0,0,0|2,0,0]=4 2289 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [1,1,0,0,0,0|2,0,0]=4 2290 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [1,1,0,0,0,0|2,0,0]=4 2291 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [1,1,0,0,0,0|2,0,0]=4 2292 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [1,1,0,0,0,0|2,0,0]=4 2293 B10R0.4 CC(=S)OCCCNCCO 2230a_100016997473_200135323944 [1,1,0,0,0,0|2,0,0]=4 2294 B10R0.4 CC(=S)OCCCNCCO 34a_100016990907_200135323944 [1,1,0,0,0,0|2,0,0]=4 2295 B10R0.4 CC(=S)OCCCSCCO 62a_100000211926_200135323944 [1,1,0,0,0,0|2,0,0]=4 2296 B10R0.4 CC(=S)OCCCSCCO 62a_200135323944_100000211926 [1,1,0,0,0,0|2,0,0]=4 2297 B10R0.4 CC(C)CCCCNCCO 2230a_100016997473_100011216152 [1,1,0,0,0,0|0,0,2]=4 2298 B10R0.4 CC(C)CCCCNCCO 34a_100016990907_100011216152 [1,1,0,0,0,0|0,0,2]=4 2299 B10R0.4 CC(C)CCCCOCCO 34a_100011214890_100000211926 [1,1,0,0,0,0|0,0,2]=4 2300 B10R0.4 CC(C)CCCCOCCO 7a_100011214890_100000211926 [1,1,0,0,0,0|0,0,2]=4 2301 B10R0.4 CC(C)CCCCSCCO 62a_100000211926_100011216152 [1,1,0,0,0,0|0,0,2]=4 2302 B10R0.4 CC(C)CCCCSCCO 62a_100011216152_100000211926 [1,1,0,0,0,0|0,0,2]=4 2303 B10R0.4 CC(C)CCCNCCCO 2230a_200000737386_100000230001 [1,1,0,0,0,0|0,0,2]=4 2304 B10R0.4 CC(C)CCCNCCCO 34a_200000737386_100000230001 [1,1,0,0,0,0|0,0,2]=4 2305 B10R0.4 CC(C)CCCOCCCO 34a_100000210774_100000230001 [1,1,0,0,0,0|0,0,2]=4 2306 B10R0.4 CC(C)CCCOCCCO 7a_100000210774_100011215043 [1,1,0,0,0,0|0,0,2]=4 2307 B10R0.4 CC(C)CCCSCCCO 62a_100011214892_100011215043 [1,1,0,0,0,0|0,0,2]=4 2308 B10R0.4 CC(C)CCCSCCCO 62a_100011215043_100011214892 [1,1,0,0,0,0|0,0,2]=4 2309 B10R0.4 CC(C)CCNCCCCO 2230a_100000750430_100000210312 [1,1,0,0,0,0|0,0,2]=4 2310 B10R0.4 CC(C)CCNCCCCO 269862a_100000750430_100000185833 [1,1,0,0,0,0|0,0,2]=4 2311 B10R0.4 CC(C)CCNCCCCO 34a_100000750430_100000210312 [1,1,0,0,0,0|0,0,2]=4 2312 B10R0.4 CC(C)CCOCCCCO 34a_100000210254_100011216708 [1,1,0,0,0,0|0,0,2]=4 2313 B10R0.4 CC(C)CCOCCCCO 7a_100000210254_100000210776 [1,1,0,0,0,0|0,0,2]=4 2314 B10R0.4 CC(C)CCSCCCCO 62a_100000210312_100000210776 [1,1,0,0,0,0|0,0,2]=4 2315 B10R0.4 CC(C)CCSCCCCO 62a_100000210776_100000210312 [1,1,0,0,0,0|0,0,2]=4 2316 B10R0.4 CC(C)CNCCCCCO 2230a_100000210953_100000746330 [1,1,0,0,0,0|0,0,2]=4 2317 B10R0.4 CC(C)CNCCCCCO 2230a_100000762737_100000210760 [1,1,0,0,0,0|0,0,2]=4 2318 B10R0.4 CC(C)CNCCCCCO 270004a_100000762737_100000210432 [1,1,0,0,0,0|0,0,2]=4 2319 B10R0.4 CC(C)CNCCCCCO 34a_100000210953_100000746330 [1,1,0,0,0,0|0,0,2]=4 2320 B10R0.4 CC(C)CNCCCCCO 34a_100000762737_100000210624 [1,1,0,0,0,0|0,0,2]=4 2321 B10R0.4 CC(C)COCCCCCO 34a_100000210257_100000746330 [1,1,0,0,0,0|0,0,2]=4 2322 B10R0.4 CC(C)CSCCCCCO 62a_100000210624_100000746330 [1,1,0,0,0,0|0,0,2]=4 2323 B10R0.4 CC(C)CSCCCCCO 62a_100000746330_100000210760 [1,1,0,0,0,0|0,0,2]=4 2324 B10R0.4 CC(C)NCCCCCCO 2230a_100000686447_100000210206 [1,1,0,0,0,0|0,0,2]=4 2325 B10R0.4 CC(C)NCCCCCCO 2230a_100138425928_100000766143 [1,1,0,0,0,0|0,0,2]=4 2326 B10R0.4 CC(C)NCCCCCCO 34a_100000686447_100000210206 [1,1,0,0,0,0|0,0,2]=4 2327 B10R0.4 CC(C)NCCCCCCO 34a_100138425928_100000766143 [1,1,0,0,0,0|0,0,2]=4 2328 B10R0.4 CC(C)NCCCCCO[13CH3] 34a_100011629493_200025704644 [1,1,0,0,0,0|1,0,1]=4 2329 B10R0.4 CC(C)NCCCOCCO 34a_100000182298_100000211926 [1,1,0,0,0,0|1,0,1]=4 2330 B10R0.4 CC(C)NCCOCCCO 34a_100000224655_100000230001 [1,1,0,0,0,0|1,0,1]=4 2331 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [1,1,0,0,0,0|0,0,2]=4 2332 B10R0.4 CC(C)OCCCNCCO 2230a_100000737246_100000211926 [1,1,0,0,0,0|1,0,1]=4 2333 B10R0.4 CC(C)OCCCNCCO 34a_100000737246_100000211926 [1,1,0,0,0,0|1,0,1]=4 2334 B10R0.4 CC(C)OCCNCCCO 2230a_100000701111_100000230001 [1,1,0,0,0,0|1,0,1]=4 2335 B10R0.4 CC(C)OCCNCCCO 34a_100000701111_100000230001 [1,1,0,0,0,0|1,0,1]=4 2336 B10R0.4 CC(C)OCCOCCCO 34a_100000211219_100000230001 [1,1,0,0,0,0|1,0,1]=4 2337 B10R0.4 CC(C)OCCOCCCO 7a_100000211219_100011215043 [1,1,0,0,0,0|1,0,1]=4 2338 B10R0.4 CC(C)OCCSCCCO 62a_100000211751_100011215043 [1,1,0,0,0,0|1,0,1]=4 2339 B10R0.4 CC(C)OCCSCCCO 62a_100011215043_100000211751 [1,1,0,0,0,0|1,0,1]=4 2340 B10R0.4 CC(C)OCNCCCCO 2230a_100000750430_100000709892 [1,1,0,0,0,0|1,0,1]=4 2341 B10R0.4 CC(C)OCNCCCCO 34a_100000750430_100000709892 [1,1,0,0,0,0|1,0,1]=4 2342 B10R0.4 CC(C)OCSCCCCO 62a_100000210776_100000709892 [1,1,0,0,0,0|1,0,1]=4 2343 B10R0.4 CC(C)OCSCCCCO 62a_100000709892_100000210776 [1,1,0,0,0,0|1,0,1]=4 2344 B10R0.4 CC(C)SCCCCCCO 62a_100000210206_100000766143 [1,1,0,0,0,0|0,0,2]=4 2345 B10R0.4 CC(C)SCCCCCCO 62a_100000766143_100000210206 [1,1,0,0,0,0|0,0,2]=4 2346 B10R0.4 CC(C)SCCNCCCO 2230a_100000731138_100000230001 [1,1,0,0,0,0|1,0,1]=4 2347 B10R0.4 CC(C)SCCNCCCO 34a_100000731138_100000230001 [1,1,0,0,0,0|1,0,1]=4 2348 B10R0.4 CC(C)SCCOCCCO 34a_200011212901_100000230001 [1,1,0,0,0,0|1,0,1]=4 2349 B10R0.4 CC(C)SCCOCCCO 7a_200011212901_100011215043 [1,1,0,0,0,0|1,0,1]=4 2350 B10R0.4 CC(C)SCCSCCCO 62a_100000730970_100011215043 [1,1,0,0,0,0|1,0,1]=4 2351 B10R0.4 CC(C)SCCSCCCO 62a_100011215043_100000730970 [1,1,0,0,0,0|1,0,1]=4 2352 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [1,1,0,0,0,0|2,0,0]=4 2353 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [1,1,0,0,0,0|2,0,0]=4 2354 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [1,1,0,0,0,0|1,0,0]=3 2355 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [1,1,0,0,0,0|1,0,0]=3 2356 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [1,1,0,0,0,0|1,0,0]=3 2357 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [1,1,0,0,0,0|1,0,0]=3 2358 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [1,1,0,0,0,0|1,0,0]=3 2359 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [1,1,0,0,0,0|1,0,0]=3 2360 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [1,1,0,0,0,0|1,0,0]=3 2361 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [1,1,0,0,0,0|1,0,0]=3 2362 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [1,1,0,0,0,0|1,0,0]=3 2363 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [1,1,0,0,0,0|1,0,0]=3 2364 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [1,1,0,0,0,0|1,0,0]=3 2365 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [1,1,0,0,0,0|1,0,0]=3 2366 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [1,1,0,0,0,0|1,0,0]=3 2367 B10R0.4 CCOCCNCC=C(C)C 2230a_102516460346_100000761012 [1,1,0,0,0,0|2,0,0]=4 2368 B10R0.4 CCOCCNCC=C(C)C 34a_100000718196_100000210147 [1,1,0,0,0,0|2,0,0]=4 2369 B10R0.4 CCOCCNCC=C(C)C 34a_102516460346_100000761012 [1,1,0,0,0,0|2,0,0]=4 2370 B10R0.4 CCOCCOCC=C(C)C 34a_100000210136_100000761012 [1,1,0,0,0,0|2,0,0]=4 2371 B10R0.4 CCOCCOCC=C(C)C 34a_100000753907_100000210147 [1,1,0,0,0,0|2,0,0]=4 2372 B10R0.4 CCOCCOCC=C(C)C 7a_100000210136_100000761012 [1,1,0,0,0,0|2,0,0]=4 2373 B10R0.4 CCOCCSCC=C(C)C 62a_100000210147_100000761012 [1,1,0,0,0,0|2,0,0]=4 2374 B10R0.4 CCOCCSCC=C(C)C 62a_100000761012_100011215890 [1,1,0,0,0,0|2,0,0]=4 2375 B10R0.4 CCOCSCCC=C(C)C 62a_100000739092_100011217483 [1,1,0,0,0,0|2,0,0]=4 2376 B10R0.4 CCOCSCCC=C(C)C 62a_100011217483_100000739092 [1,1,0,0,0,0|2,0,0]=4 2377 B10R0.4 CCSCCNCC=C(C)C 2230a_100000106463_100000761012 [1,1,0,0,0,0|2,0,0]=4 2378 B10R0.4 CCSCCNCC=C(C)C 34a_100000718196_100000757381 [1,1,0,0,0,0|2,0,0]=4 2379 B10R0.4 CCSCCOCC=C(C)C 34a_100000212035_100000761012 [1,1,0,0,0,0|2,0,0]=4 2380 B10R0.4 CCSCCOCC=C(C)C 34a_100000753907_100000757381 [1,1,0,0,0,0|2,0,0]=4 2381 B10R0.4 CCSCCOCC=C(C)C 7a_100000212035_100000761012 [1,1,0,0,0,0|2,0,0]=4 2382 B10R0.4 CCSCCSCC=C(C)C 62a_100000757381_100000761012 [1,1,0,0,0,0|2,0,0]=4 2383 B10R0.4 CCSCCSCC=C(C)C 62a_100000761012_100000757381 [1,1,0,0,0,0|2,0,0]=4 2384 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [1,1,0,0,0,0|1,0,1]=4 2385 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [1,1,0,0,0,0|1,0,1]=4 2386 B10R0.4 CN(C)CCCCSCCO 62a_100000211926_100000690147 [1,1,0,0,0,0|1,0,1]=4 2387 B10R0.4 CN(C)CCCSCCCO 62a_100011215043_100000757444 [1,1,0,0,0,0|1,0,1]=4 2388 B10R0.4 CN(C)CCSCCCCO 62a_100000210776_100000755713 [1,1,0,0,0,0|1,0,1]=4 2389 B10R0.4 CNCCCOCC=C(C)C 34a_100000213112_100000761012 [1,1,0,0,0,0|2,0,0]=4 2390 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,1,0,0,0,0|1,0,1]=4 2391 B10R0.4 COCCCCCCN(C)C 2230a_100102631434_100011998445 [1,1,0,0,0,0|1,0,1]=4 2392 B10R0.4 COCCCCCCN(C)C 269982a_100102631434_100011998445 [1,1,0,0,0,0|1,0,1]=4 2393 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [1,1,0,0,0,0|2,0,0]=4 2394 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [1,1,0,0,0,0|2,0,0]=4 2395 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [1,1,0,0,0,0|2,0,0]=4 2396 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [1,1,0,0,0,0|2,0,0]=4 2397 B10R0.4 COCCCCCNC(C)C 2230a_100000747528_100000210206 [1,1,0,0,0,0|1,0,1]=4 2398 B10R0.4 COCCCCCNC(C)C 34a_100000747528_100000210206 [1,1,0,0,0,0|1,0,1]=4 2399 B10R0.4 COCCCCCNC(C)C 34a_100011629493_200000210301 [1,1,0,0,0,0|1,0,1]=4 2400 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [1,1,0,0,0,0|2,0,0]=4 2401 B10R0.4 COCCCNCC=C(C)C 34a_100000718196_100000740836 [1,1,0,0,0,0|1,0,0]=3 2402 B10R0.4 COCCCNCC=C(C)C 34a_100150723488_100000761012 [1,1,0,0,0,0|1,0,0]=3 2403 B10R0.4 COCCCOCC=C(C)C 34a_100000740835_100000761012 [1,1,0,0,0,0|1,0,0]=3 2404 B10R0.4 COCCCOCC=C(C)C 34a_100000753907_100000740836 [1,1,0,0,0,0|1,0,0]=3 2405 B10R0.4 COCCCSCC=C(C)C 62a_100000709357_100000761012 [1,1,0,0,0,0|1,0,0]=3 2406 B10R0.4 COCCCSCC=C(C)C 62a_100000761012_100000709357 [1,1,0,0,0,0|1,0,0]=3 2407 B10R0.4 COCCNCCC=C(C)C 2230a_100000209980_100011217483 [1,1,0,0,0,0|1,0,0]=3 2408 B10R0.4 COCCOCCC=C(C)C 34a_100000210237_100011217483 [1,1,0,0,0,0|1,0,0]=3 2409 B10R0.4 COCCSCCC=C(C)C 62a_100000233755_100011217483 [1,1,0,0,0,0|1,0,0]=3 2410 B10R0.4 COCCSCCC=C(C)C 62a_100011217483_100000233755 [1,1,0,0,0,0|1,0,0]=3 2411 B10R0.4 CSCCCNCC=C(C)C 2230a_100000749238_100000761012 [1,1,0,0,0,0|1,1,0]=4 2412 B10R0.4 CSCCCOCC=C(C)C 34a_100000690336_100000761012 [1,1,0,0,0,0|1,1,0]=4 2413 B10R0.4 CSCCCOCC=C(C)C 7a_100000690336_100000761012 [1,1,0,0,0,0|1,1,0]=4 2414 B10R0.4 CSCCNCCC=C(C)C 2230a_100020590264_100011217483 [1,1,0,0,0,0|1,1,0]=4 2415 B10R0.4 CSCCOCCC=C(C)C 34a_100000230434_100011217483 [1,1,0,0,0,0|1,1,0]=4 2416 B10R0.4 CSCCOCCC=C(C)C 7a_100000230434_100011217483 [1,1,0,0,0,0|1,1,0]=4 2417 B10R0.4 CSCCSCCC=C(C)C 62a_100000212216_100011217483 [1,1,0,0,0,0|1,1,0]=4 2418 B10R0.4 CSCCSCCC=C(C)C 62a_100011217483_100000751147 [1,1,0,0,0,0|1,1,0]=4 2419 B10R0.4 OCCCSCCC=C(F)F 62a_100011215043_200009816681 [1,1,0,0,0,0|2,0,0]=4 2420 B10R0.4 OCCCSCCC=C(F)F 62a_200009816681_100011215043 [1,1,0,0,0,0|2,0,0]=4 2421 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,1,0,0,0,0|1,0,1]=4 2422 B10R0.6 CC(=CC(=O)CCCCF)C 1458a_100000211388_100000729493 [1,1,0,0,0,0|1,0,1]=4 2423 B10R0.6 CC(=CC(=O)CCCCO)C 1458a_100000211388_100000210776 [1,1,0,0,0,0|0,0,1]=3 2424 B10R0.6 CC(=CC(=O)CCCCO)Cl 1458a_200042562850_100000210776 [1,1,0,0,0,0|1,0,1]=4 2425 B10R0.6 CC(=CC(=O)CCCCO)I 1458a_100025716642_100000210776 [1,1,0,0,0,0|1,0,1]=4 2426 B10R0.6 CC(=CC(=O)NCCCO)C 240690a_100000182051_100000211388 [1,1,0,0,0,0|1,0,1]=4 2427 B10R0.6 CC(=CC(C)OCCCF)C 34a_100000717055_100011934791 [1,1,0,0,0,0|2,0,0]=4 2428 B10R0.6 CC(=CC(C)OCCCO)C 34a_100000717055_100000230001 [1,1,0,0,0,0|1,0,0]=3 2429 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [1,1,0,0,0,0|1,0,1]=4 2430 B10R0.6 CCCCOC(C)C=C(C)C 34a_100000717055_100000210210 [1,1,0,0,0,0|2,0,0]=4 2431 B10R0.22 CC(C)(C)NCCCCCO 2230a_100000715429_100000746330 [1,1,0,0,0,0|1,0,1]=4 2432 B10R0.22 CC(C)(C)NCCCCCO 34a_100000762737_100000210625 [1,1,0,0,0,0|1,0,1]=4 2433 B10R0.22 CC(C)(C)OCCCCCO 34a_100015890283_100000746330 [1,1,0,0,0,0|1,0,1]=4 2434 B10R0.22 CC(C)(C)OCCCCCO 7a_100015890283_100000746330 [1,1,0,0,0,0|1,0,1]=4 2435 B10R0.22 CC(C)(C)SCCCCCO 62a_100000211941_100000746330 [1,1,0,0,0,0|1,0,1]=4 2436 B10R0.22 CC(C)(C)SCCCCCO 62a_100000746330_100000211941 [1,1,0,0,0,0|1,0,1]=4 2437 B10R0.55 CC(=CCCN[C@H](C)CO)C 2230a_100000737577_100011217483 [1,1,0,0,0,0|1,0,0]=3 2438 B10R0.55 CC(=CCCOC(C)CF)C 34a_100016041109_100011217483 [1,1,0,0,0,0|2,0,0]=4 2439 B10R0.55 CC(=CCCOC(C)CF)C 7a_100016041109_100011217483 [1,1,0,0,0,0|2,0,0]=4 2440 B10R0.55 CC(=CCCOC(C)CN)C 34a_100000210904_100011217483 [1,1,0,0,0,0|2,0,0]=4 2441 B10R0.55 CC(=CCCSC(C)CO)C 62a_100012180447_100011217483 [1,1,0,0,0,0|1,0,0]=3 2442 B10R0.55 CC(=CCCS[C@H](C)CO)C 62a_100011217483_100016084084 [1,1,0,0,0,0|1,0,0]=3 2443 B10R0.55 CC(=CCCS[C@H](C)CO)C 62a_100016084084_100011217483 [1,1,0,0,0,0|1,0,0]=3 2444 B10R0.55 CC(=CCNCC(C)CO)C 34a_100000744482_100000761012 [1,1,0,0,0,0|1,0,0]=3 2445 B10R0.55 CC(=CCNCC(O)CO)C 34a_100000718196_100011219619 [1,1,0,0,0,0|1,0,0]=3 2446 B10R0.55 CC(=CCNC[C@@H](C)CO)C 34a_100000718196_100000059175 [1,1,0,0,0,0|1,0,0]=3 2447 B10R0.55 CC(=CCNC[C@@H](F)CO)C 34a_100015665980_100000761012 [1,1,0,0,0,0|1,0,0]=3 2448 B10R0.55 CC(=CCNC[C@@H](O)CF)C 34a_100000718196_100015614560 [1,1,0,0,0,0|2,0,0]=4 2449 B10R0.55 CC(=CCNC[C@@H](O)CO)C 34a_100000718196_100009815848 [1,1,0,0,0,0|1,0,0]=3 2450 B10R0.55 CC(=CCNC[C@H](O)CO)C 2230a_100020644852_100000761012 [1,1,0,0,0,0|1,0,0]=3 2451 B10R0.55 CC(=CCOCC(C)CN)C 34a_100000744482_100000761012 [1,1,0,0,0,0|2,0,0]=4 2452 B10R0.55 CC(=CCOCC(Cl)CCl)C 34a_100000033668_100000761012 [1,1,0,0,0,0|2,0,0]=4 2453 B10R0.55 CC(=CCOCC(O)CO)C 34a_100000753907_100011219619 [1,1,0,0,0,0|1,0,0]=3 2454 B10R0.55 CC(=CCOC[C@@H](C)CO)C 34a_100000753907_100000059175 [1,1,0,0,0,0|1,0,0]=3 2455 B10R0.55 CC(=CCOC[C@@H](O)CF)C 34a_100000753907_100015614560 [1,1,0,0,0,0|2,0,0]=4 2456 B10R0.55 CC(=CCOC[C@@H](O)CO)C 34a_100000753907_100009815848 [1,1,0,0,0,0|1,0,0]=3 2457 B10R0.55 CC(=CCOC[C@H](F)CN)C 34a_100015665980_100000761012 [1,1,0,0,0,0|2,0,0]=4 2458 B10R0.55 CC(=CCSCC(O)CO)C 62a_100000761012_100011219619 [1,1,0,0,0,0|1,0,0]=3 2459 B10R0.55 CC(=CCSCC(O)CO)C 62a_100011219619_100000761012 [1,1,0,0,0,0|1,0,0]=3 2460 B10R0.55 CC(=CCSC[C@@H](C)CO)C 62a_100000059175_100000761012 [1,1,0,0,0,0|1,0,0]=3 2461 B10R0.55 CC(=CCSC[C@@H](C)CO)C 62a_100000761012_100000059175 [1,1,0,0,0,0|1,0,0]=3 2462 B10R0.55 CC(=CCSC[C@@H](O)CF)C 62a_100000761012_100015614560 [1,1,0,0,0,0|2,0,0]=4 2463 B10R0.55 CC(=CCSC[C@@H](O)CF)C 62a_100015614560_100000761012 [1,1,0,0,0,0|2,0,0]=4 2464 B10R0.55 CC(=CCSC[C@@H](O)CO)C 62a_100000761012_100009815848 [1,1,0,0,0,0|1,0,0]=3 2465 B10R0.55 CC(=CCSC[C@@H](O)CO)C 62a_100009815848_100000761012 [1,1,0,0,0,0|1,0,0]=3 2466 B10R0.55 CCC(C)CNCC=C(C)C 2230a_100020588543_100000761012 [1,1,0,0,0,0|2,0,0]=4 2467 B10R0.55 CCC(C)CNCC=C(C)C 270004a_100000718196_100000243153 [1,1,0,0,0,0|2,0,0]=4 2468 B10R0.55 CCC(C)CNCC=C(C)C 34a_100000718196_100000748023 [1,1,0,0,0,0|2,0,0]=4 2469 B10R0.55 CCC(C)COCC=C(C)C 34a_100000753907_100000748023 [1,1,0,0,0,0|2,0,0]=4 2470 B10R0.55 CCC(C)CSCC=C(C)C 62a_100000748023_100000761012 [1,1,0,0,0,0|2,0,0]=4 2471 B10R0.55 CCC(C)CSCC=C(C)C 62a_100000761012_100000748023 [1,1,0,0,0,0|2,0,0]=4 2472 B10R0.55 CCC(C)NCCC=C(C)C 2230a_100000209981_100011217483 [1,1,0,0,0,0|2,0,0]=4 2473 B10R0.55 CCC(C)OCCC=C(C)C 7a_100000210228_100011217483 [1,1,0,0,0,0|2,0,0]=4 2474 B10R0.55 CCC(C)SCCC=C(C)C 62a_100000758301_100011217483 [1,1,0,0,0,0|2,0,0]=4 2475 B10R0.55 CCC(C)SCCC=C(C)C 62a_100011217483_100000758301 [1,1,0,0,0,0|2,0,0]=4 2476 B10R0.55 CCC(O)CNCC=C(C)C 2230a_100011218483_100000761012 [1,1,0,0,0,0|2,0,0]=4 2477 B10R0.55 CCC(O)CNCC=C(C)C 34a_100000718196_100011218378 [1,1,0,0,0,0|2,0,0]=4 2478 B10R0.55 CCC(O)COCC=C(C)C 34a_100000753907_100011218378 [1,1,0,0,0,0|2,0,0]=4 2479 B10R0.55 CCC(O)CSCC=C(C)C 62a_100000761012_100011218378 [1,1,0,0,0,0|2,0,0]=4 2480 B10R0.55 CCC(O)CSCC=C(C)C 62a_100011218378_100000761012 [1,1,0,0,0,0|2,0,0]=4 2481 B10R0.55 CC[C@H](C)CNCC=C(C)C 34a_100000718196_100009816398 [1,1,0,0,0,0|2,0,0]=4 2482 B10R0.55 CC[C@H](C)COCC=C(C)C 34a_100000753907_100009816398 [1,1,0,0,0,0|2,0,0]=4 2483 B10R0.55 CC[C@H](C)COCC=C(C)C 7a_100009816381_100000761012 [1,1,0,0,0,0|2,0,0]=4 2484 B10R0.55 CC[C@H](C)CSCC=C(C)C 62a_100000761012_100009816398 [1,1,0,0,0,0|2,0,0]=4 2485 B10R0.55 CC[C@H](C)CSCC=C(C)C 62a_100009816398_100000761012 [1,1,0,0,0,0|2,0,0]=4 2486 B10R0.74 C#C/C(=C\COCCCO)/C 34a_100016990848_100000230001 [1,1,0,0,0,0|1,0,1]=4 2487 B10R0.74 CC(CF)OCCCCCO 34a_100016041109_100000746330 [1,1,0,0,0,0|1,0,1]=4 2488 B10R0.74 CC(CF)OCCCCCO 7a_100016041109_100000746330 [1,1,0,0,0,0|1,0,1]=4 2489 B10R0.74 CC(CN)OCCCCCO 34a_100000210904_100000746330 [1,1,0,0,0,0|1,0,1]=4 2490 B10R0.74 CC(CO)NCCCCCO 2230a_100000762737_100012180447 [1,1,0,0,0,0|1,0,1]=4 2491 B10R0.74 CC(CO)NCCCCCO 34a_100000762737_100012180447 [1,1,0,0,0,0|1,0,1]=4 2492 B10R0.74 CC(CO)SCCCCCO 62a_100012180447_100000746330 [1,1,0,0,0,0|1,0,1]=4 2493 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [1,1,0,0,0,0|1,0,1]=4 2494 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [1,1,0,0,0,0|1,0,1]=4 2495 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [1,1,0,0,0,0|2,0,0]=4 2496 B10R0.74 CCC(C)NCCCCCO 2230a_100000209981_100000746330 [1,1,0,0,0,0|1,0,1]=4 2497 B10R0.74 CCC(C)NCCCCCO 2230a_100000762737_100000758301 [1,1,0,0,0,0|1,0,1]=4 2498 B10R0.74 CCC(C)NCCCCCO 34a_100000762737_100011215416 [1,1,0,0,0,0|1,0,1]=4 2499 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [1,1,0,0,0,0|1,0,1]=4 2500 B10R0.74 CCC(C)SCCCCCO 62a_100000746330_100000758301 [1,1,0,0,0,0|1,0,1]=4 2501 B10R0.74 CCC(C)SCCCCCO 62a_100000758301_100000746330 [1,1,0,0,0,0|1,0,1]=4 2502 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [1,1,0,0,0,0|1,0,1]=4 2503 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [1,1,0,0,0,0|1,0,1]=4 2504 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [1,1,0,0,0,0|1,0,1]=4 2505 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [1,1,0,0,0,0|2,0,0]=4 2506 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [1,1,0,0,0,0|2,0,0]=4 2507 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [1,1,0,0,0,0|2,0,0]=4 2508 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [1,1,0,0,0,0|2,0,0]=4 2509 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [1,1,0,0,0,0|2,0,0]=4 2510 B10R0.74 COC(C)SCCCCCO 62a_100000746330_100009879195 [1,1,0,0,0,0|1,0,1]=4 2511 B10R0.74 COC(C)SCCCCCO 62a_100009879195_100000746330 [1,1,0,0,0,0|1,0,1]=4 2512 B10R0.74 C[C@H](CO)NCCCCCO 2230a_100000737577_100000746330 [1,1,0,0,0,0|1,0,1]=4 2513 B10R0.74 C[C@H](CO)SCCCCCO 62a_100000746330_100016084084 [1,1,0,0,0,0|1,0,1]=4 2514 B10R0.74 C[C@H](CO)SCCCCCO 62a_100016084084_100000746330 [1,1,0,0,0,0|1,0,1]=4 2515 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [1,1,0,0,0,0|1,0,1]=4 2516 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [1,1,0,0,0,0|1,0,1]=4 2517 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [1,1,0,0,0,0|2,0,0]=4 2518 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [1,1,0,0,0,0|1,0,1]=4 2519 B10R0.75 C=C(C)C(=O)CCCCCF 1458a_100000185857_100000729378 [1,1,0,0,0,0|1,0,1]=4 2520 B10R0.75 C=C(C)C(=O)CCCCCO 1458a_100000185857_100000746330 [1,1,0,0,0,0|0,0,1]=3 2521 B10R0.75 C=C(C)C(=O)CCOCCO 1458a_100000185857_100011215305 [1,1,0,0,0,0|1,0,1]=4 2522 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011215043_100011261029 [1,1,0,0,0,0|2,0,0]=4 2523 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011261029_100011215043 [1,1,0,0,0,0|2,0,0]=4 2524 B10R0.75 CC(=O)N(C)CCCCCO 240690a_100000722520_100015343762 [1,1,0,0,0,0|2,0,0]=4 2525 B10R0.75 CC(C)C(=O)CCCCCF 1458a_100000210198_100000729378 [1,1,0,0,0,0|1,0,1]=4 2526 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100000210198_100000746330 [1,1,0,0,0,0|0,0,1]=3 2527 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100102619762_100000210206 [1,1,0,0,0,0|0,0,1]=3 2528 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100000210198_100011215305 [1,1,0,0,0,0|1,0,1]=4 2529 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100011229844_100000210206 [1,1,0,0,0,0|1,0,1]=4 2530 B10R0.75 CC(C)C(=O)CSCCCO 62a_100000753385_100011215043 [1,1,0,0,0,0|1,0,1]=4 2531 B10R0.75 CC(C)C(=O)CSCCCO 62a_100011215043_100000753385 [1,1,0,0,0,0|1,0,1]=4 2532 B10R0.75 CC(C)C(=O)NCCCCO 240690a_100000750430_100000210198 [1,1,0,0,0,0|1,0,1]=4 2533 B10R0.75 CC(C)C(=O)NCCCCO 527a_100000750430_100000210198 [1,1,0,0,0,0|1,0,1]=4 2534 B10R0.75 CC(C)N(C)CCCCCO 2230a_100000722520_100000210206 [1,1,0,0,0,0|1,0,1]=4 2535 B10R0.75 CC(C)N(C)CCCCCO 2230a_100011629493_200000210301 [1,1,0,0,0,0|1,0,1]=4 2536 B10R0.75 CC(C)N(C)CCCCCO 269982a_100000722520_100000210206 [1,1,0,0,0,0|1,0,1]=4 2537 B10R0.75 CC(C)N(C)CCCCCO 269982a_100011629493_200000210301 [1,1,0,0,0,0|1,0,1]=4 2538 B10R0.75 CC(C)N(C)CCCCCO 269982a_200000211004_100000746330 [1,1,0,0,0,0|1,0,1]=4 2539 B10R0.75 CC(C)N(C)CCCCCO 34a_100011629493_200000210301 [1,1,0,0,0,0|1,0,1]=4 2540 B10R0.75 CC(C)N([13CH3])CCCCCO 2230a_100011629493_200025704644 [1,1,0,0,0,0|1,0,1]=4 2541 B10R0.75 CC(C)N([13CH3])CCCCCO 269982a_100011629493_200025704644 [1,1,0,0,0,0|1,0,1]=4 2542 B10R0.75 CC(C)N([13CH3])CCCCCO 34a_100011629493_200025704644 [1,1,0,0,0,0|1,0,1]=4 2543 B10R0.75 CC(F)C(=O)CCCCCO 1458a_100000062450_100000746330 [1,1,0,0,0,0|1,0,1]=4 2544 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [1,1,0,0,0,0|1,0,1]=4 2545 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [1,1,0,0,0,0|1,0,1]=4 2546 B10R0.75 CCCCCCC(=O)N(C)C 11a_100102631434_100102632555 [1,1,0,0,0,0|2,0,0]=4 2547 B10R0.75 CCCCCCC(=O)N(C)C 1626a_100102631434_100102632555 [1,1,0,0,0,0|2,0,0]=4 2548 B10R0.75 CCCCCCC(=O)N(C)C 240690a_100102631434_100102632555 [1,1,0,0,0,0|2,0,0]=4 2549 B10R0.75 CCCCCCC(=O)N(C)C 527a_100102631434_100102632555 [1,1,0,0,0,0|2,0,0]=4 2550 B10R0.75 CN(C)C(=O)CCCCCO 240690a_100102631434_100102619762 [1,1,0,0,0,0|1,0,0]=3 2551 B10R0.75 CN(C)C(=O)CCNCCO 2230a_100000738053_100000211926 [1,1,0,0,0,0|2,0,0]=4 2552 B10R0.75 CN(C)C(=O)CCNCCO 2230a_100016997473_100000737620 [1,1,0,0,0,0|2,0,0]=4 2553 B10R0.75 CN(C)C(=O)CCOCCO 1626a_100102631434_100011229844 [1,1,0,0,0,0|2,0,0]=4 2554 B10R0.75 CN(C)C(=O)CCOCCO 240690a_100102631434_100011229844 [1,1,0,0,0,0|2,0,0]=4 2555 B10R0.75 CN(C)C(=O)CCOCCO 34a_200000747469_100000211926 [1,1,0,0,0,0|2,0,0]=4 2556 B10R0.75 CN(C)C(=O)CCSCCO 62a_100000211926_100000737620 [1,1,0,0,0,0|2,0,0]=4 2557 B10R0.75 CN(C)C(=O)CCSCCO 62a_100000737620_100000211926 [1,1,0,0,0,0|2,0,0]=4 2558 B10R0.75 CN(C)C(=O)CNCCCO 2230a_100015183351_100000230001 [1,1,0,0,0,0|2,0,0]=4 2559 B10R0.75 CN(C)C(=O)CSCCCO 62a_100000692301_100011215043 [1,1,0,0,0,0|2,0,0]=4 2560 B10R0.75 CN(C)C(=O)CSCCCO 62a_100011215043_100000692301 [1,1,0,0,0,0|2,0,0]=4 2561 B10R0.75 CN(C)C(=O)NCCCCO 2708a_100000750430_100102631434 [1,1,0,0,0,0|2,0,0]=4 2562 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [1,1,0,0,0,0|1,0,1]=4 2563 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [1,1,0,0,0,0|1,0,1]=4 2564 B10R0.78 CC(=CCC(=O)CCCF)C 1458a_100011220947_100011934791 [1,1,0,0,0,0|1,0,1]=4 2565 B10R0.78 CC(=CCC(=O)CCCO)C 1458a_100011220947_100011215043 [1,1,0,0,0,0|0,0,1]=3 2566 B10R0.78 CC(=CCC(=O)NCCO)C 240690a_100000210304_100011220947 [1,1,0,0,0,0|1,0,1]=4 2567 B10R0.78 CC(=CCC(=O)NCCO)C 527a_100000210304_100011220947 [1,1,0,0,0,0|1,0,1]=4 2568 B10R0.78 CC(=CCN(C)CCCO)C 2230a_100000213112_100000761012 [1,1,0,0,0,0|1,0,0]=3 2569 B10R0.78 CC(=CCN(C)CCCO)C 269982a_100000213112_100000761012 [1,1,0,0,0,0|1,0,0]=3 2570 B10R0.78 CC(=O)NC[C@H](C)CCCO 240690a_100160569302_100015343762 [1,1,0,0,0,0|2,0,0]=4 2571 B10R0.78 CC(=O)NC[C@H](C)CCCO 527a_100160569302_100103153847 [1,1,0,0,0,0|2,0,0]=4 2572 B10R0.78 CC(C)NC[C@H](C)CCCO 2230a_100160569302_100000210206 [1,1,0,0,0,0|1,0,1]=4 2573 B10R0.78 CC(C)NC[C@H](C)CCCO 34a_100160569302_100000210206 [1,1,0,0,0,0|1,0,1]=4 2574 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100000210183_100000761012 [1,1,0,0,0,0|1,0,1]=4 2575 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100011220947_100000210211 [1,1,0,0,0,0|1,0,1]=4 2576 B10R0.78 CCCCN(C)CC=C(C)C 2230a_100000207549_100000761012 [1,1,0,0,0,0|2,0,0]=4 2577 B10R0.78 CCCCN(C)CC=C(C)C 269982a_100000207549_100000761012 [1,1,0,0,0,0|2,0,0]=4 2578 B10R0.97 CC(=CCCNCC(=O)O)C 269956a_100016091260_100011217483 [1,1,0,0,0,0|1,0,1]=4 2579 B10R0.97 CC(=CCCNCC(C)C)C 2230a_100000210953_100011217483 [1,1,0,0,0,0|2,0,0]=4 2580 B10R0.97 CC(=CCCNCC(C)C)C 34a_100000210953_100011217483 [1,1,0,0,0,0|2,0,0]=4 2581 B10R0.97 CC(=CCCNCC(C)O)C 2230a_100000210904_100011217483 [1,1,0,0,0,0|1,0,0]=3 2582 B10R0.97 CC(=CCCNCC(C)O)C 34a_100000210904_100011217483 [1,1,0,0,0,0|1,0,0]=3 2583 B10R0.97 CC(=CCCNCC(F)F)C 34a_100000765723_100011217483 [1,1,0,0,0,0|2,0,0]=4 2584 B10R0.97 CC(=CCCOCC(C)Br)C 34a_100012180447_100011217483 [1,1,0,0,0,0|2,0,0]=4 2585 B10R0.97 CC(=CCCOCC(C)C)C 34a_100000210257_100011217483 [1,1,0,0,0,0|2,0,0]=4 2586 B10R0.97 CC(=CCCOCC(C)F)C 34a_100015925927_100011217483 [1,1,0,0,0,0|2,0,0]=4 2587 B10R0.97 CC(=CCCOCC(F)F)C 34a_100000743014_100011217483 [1,1,0,0,0,0|2,0,0]=4 2588 B10R0.97 CC(=CCCOC[C@@H](C)Cl)C 34a_100016084084_100011217483 [1,1,0,0,0,0|2,0,0]=4 2589 B10R0.97 CC(=CCCOC[C@@H](C)N)C 34a_100000737577_100011217483 [1,1,0,0,0,0|2,0,0]=4 2590 B10R0.97 CC(=CCCSCC(C)C)C 62a_100000210624_100011217483 [1,1,0,0,0,0|2,0,0]=4 2591 B10R0.97 CC(=CCCSCC(C)C)C 62a_100011217483_100000210760 [1,1,0,0,0,0|2,0,0]=4 2592 B10R0.97 CC(=CCCSCC(C)O)C 62a_100011217483_100011218427 [1,1,0,0,0,0|1,0,0]=3 2593 B10R0.97 CC(=CCCSCC(C)O)C 62a_100011218427_100011217483 [1,1,0,0,0,0|1,0,0]=3 2594 B10R0.97 CC(=CCCSCC(F)F)C 62a_100011217483_100011934356 [1,1,0,0,0,0|2,0,0]=4 2595 B10R0.97 CC(=CCCSCC(F)F)C 62a_100011934356_100011217483 [1,1,0,0,0,0|2,0,0]=4 2596 B10R0.97 CC(=CCCSC[C@@H](C)O)C 62a_100009817552_100011217483 [1,1,0,0,0,0|1,0,0]=3 2597 B10R0.97 CC(=CCCSC[C@@H](C)O)C 62a_100011217483_100009817552 [1,1,0,0,0,0|1,0,0]=3 2598 B10R0.97 CC(=CCNCCC(C)C)C 34a_100000718196_100000210312 [1,1,0,0,0,0|2,0,0]=4 2599 B10R0.97 CC(=CCNCCC(C)O)C 2230a_200000755665_100000761012 [1,1,0,0,0,0|1,0,0]=3 2600 B10R0.97 CC(=CCNCCC(C)O)C 34a_100000718196_100012276601 [1,1,0,0,0,0|1,0,0]=3 2601 B10R0.97 CC(=CCOCCC(C)Br)C 34a_100009893172_100000761012 [1,1,0,0,0,0|2,0,0]=4 2602 B10R0.97 CC(=CCOCCC(C)C)C 34a_100000210254_100000761012 [1,1,0,0,0,0|2,0,0]=4 2603 B10R0.97 CC(=CCOCCC(C)C)C 34a_100000753907_100000210312 [1,1,0,0,0,0|2,0,0]=4 2604 B10R0.97 CC(=CCOCCC(C)C)C 7a_100000210254_100000761012 [1,1,0,0,0,0|2,0,0]=4 2605 B10R0.97 CC(=CCOCCC(C)O)C 34a_100000753907_100012276601 [1,1,0,0,0,0|1,0,0]=3 2606 B10R0.97 CC(=CCOCCC(F)F)C 34a_100103093639_100000761012 [1,1,0,0,0,0|2,0,0]=4 2607 B10R0.97 CC(=CCOCC[C@@H](C)N)C 34a_100000706166_100000761012 [1,1,0,0,0,0|2,0,0]=4 2608 B10R0.97 CC(=CCSCCC(C)C)C 62a_100000210312_100000761012 [1,1,0,0,0,0|2,0,0]=4 2609 B10R0.97 CC(=CCSCCC(C)C)C 62a_100000761012_100000210312 [1,1,0,0,0,0|2,0,0]=4 2610 B10R0.97 CC(=CCSCCC(C)O)C 62a_100000761012_100012276601 [1,1,0,0,0,0|1,0,0]=3 2611 B10R0.97 CC(=CCSCCC(C)O)C 62a_100012276601_100000761012 [1,1,0,0,0,0|1,0,0]=3 2612 B10R0.1 C/C=C/CCOC(C)CCC 34a_100016278192_100000766640 [1,1,0,0,0,0|1,0,0]=3 2613 B10R0.1 C/C=C/CCOC(C)CCO 34a_100016278192_100009893172 [1,1,0,0,0,0|0,0,0]=2 2614 B10R0.1 C/C=C/CCOC(C)COC 34a_100016278192_100000765312 [1,1,0,0,0,0|2,0,0]=4 2615 B10R0.1 C/C=C/COCC(C)CCC 34a_100000688023_100102629194 [1,1,0,0,0,0|1,0,0]=3 2616 B10R0.1 C/C=C/COCC(C)CCC 34a_100016270725_100011216630 [1,1,0,0,0,0|1,0,0]=3 2617 B10R0.1 C/C=C/COCC(C)CCC 7a_100000688023_100102629194 [1,1,0,0,0,0|1,0,0]=3 2618 B10R0.1 C/C=C/COCC(C)CCN 34a_106354213184_100102629194 [1,1,0,0,0,0|1,0,0]=3 2619 B10R0.1 C/C=C/COC[C@@H](N)CCC 34a_100000732646_100102629194 [1,1,0,0,0,0|2,0,0]=4 2620 B10R0.1 C/C=C/CSCC(C)CCC 62a_100011216630_100102629194 [1,1,0,0,0,0|1,0,0]=3 2621 B10R0.1 C/C=C/CSCC(C)CCC 62a_100102629194_100011216630 [1,1,0,0,0,0|1,0,0]=3 2622 B10R0.1 C=CCC(C)COC/C=C/C 34a_100009832082_100102629194 [1,1,0,0,0,0|1,0,1]=4 2623 B10R0.1 C=CCC(C)COC/C=C/C 7a_100009832082_100102629194 [1,1,0,0,0,0|1,0,1]=4 2624 B10R0.1 C=CCC(C)COCC=CC 34a_100009832082_100000070051 [1,1,0,0,0,0|1,0,1]=4 2625 B10R0.1 C=CCC(C)COCC=CC 7a_100009832082_100000070051 [1,1,0,0,0,0|1,0,1]=4 2626 B10R0.1 C=CCCCNC(C)CCO 2230a_100000700776_100009893172 [1,1,0,0,0,0|0,0,2]=4 2627 B10R0.1 C=CCCCNC(C)CCO 34a_100000700776_100009893172 [1,1,0,0,0,0|0,0,2]=4 2628 B10R0.1 C=CCCCN[C@H](C)CCO 2230a_100000706166_100011713584 [1,1,0,0,0,0|0,0,2]=4 2629 B10R0.1 C=CCCCN[C@H](C)CCO 34a_100000706166_100000757094 [1,1,0,0,0,0|0,0,2]=4 2630 B10R0.1 C=CCCCOC(C)CCO 34a_100000758997_100009893172 [1,1,0,0,0,0|0,0,2]=4 2631 B10R0.1 C=CCCCOC(C)CCO 7a_100000758997_100009893172 [1,1,0,0,0,0|0,0,2]=4 2632 B10R0.1 C=CCCCSC(C)CCO 62a_100009893172_100000757094 [1,1,0,0,0,0|0,0,2]=4 2633 B10R0.1 C=CCCCSC(C)CCO 62a_100011713584_100009893172 [1,1,0,0,0,0|0,0,2]=4 2634 B10R0.1 C=COCCN[C@H](C)CCO 2230a_100000706166_100000039644 [1,1,0,0,0,0|1,0,1]=4 2635 B10R0.1 C=COCCN[C@H](C)CCO 34a_100000706166_100000039644 [1,1,0,0,0,0|1,0,1]=4 2636 B10R0.1 C=COCCOC(C)CCO 34a_100000033082_100009893172 [1,1,0,0,0,0|1,0,1]=4 2637 B10R0.1 C=COCCSC(C)CCO 62a_100000039644_100009893172 [1,1,0,0,0,0|1,0,1]=4 2638 B10R0.1 C=COCCSC(C)CCO 62a_100009893172_100000039644 [1,1,0,0,0,0|1,0,1]=4 2639 B10R0.1 CC#CCCOC(C)CCO 34a_100000750427_100009893172 [1,1,0,0,0,0|0,0,2]=4 2640 B10R0.1 CC(CCO)SCCCC=O 62a_100009893172_200011292268 [1,1,0,0,0,0|1,0,1]=4 2641 B10R0.1 CC(CCO)SCCCC=O 62a_200011292268_100009893172 [1,1,0,0,0,0|1,0,1]=4 2642 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [1,1,0,0,0,0|1,0,1]=4 2643 B10R0.1 CC/C=C\CCN(C)CCC 2230a_100000747261_100015370543 [1,1,0,0,0,0|2,0,0]=4 2644 B10R0.1 CC/C=C\CCN(C)CCC 269982a_100000747261_100015370543 [1,1,0,0,0,0|2,0,0]=4 2645 B10R0.1 CC/C=C\CCN(C)CCO 2230a_100000210263_100015370543 [1,1,0,0,0,0|1,0,0]=3 2646 B10R0.1 CC/C=C\CCN(C)CCO 269982a_100000210263_100015370543 [1,1,0,0,0,0|1,0,0]=3 2647 B10R0.1 CC/C=C\CNC(C)CCC 2230a_100000741246_100103147603 [1,1,0,0,0,0|2,0,0]=4 2648 B10R0.1 CC/C=C\CN[C@H](C)CCO 2230a_100000706166_100103147603 [1,1,0,0,0,0|1,0,0]=3 2649 B10R0.1 CC/C=C\CN[C@H](C)CCO 34a_100000706166_100103147603 [1,1,0,0,0,0|1,0,0]=3 2650 B10R0.1 CC/C=C\COC(C)CCBr 34a_100012276601_100103147603 [1,1,0,0,0,0|2,0,0]=4 2651 B10R0.1 CC/C=C\COC(C)CCC 34a_100000764384_100103147603 [1,1,0,0,0,0|2,0,0]=4 2652 B10R0.1 CC/C=C\COC(C)CCC 34a_100016268518_100000766640 [1,1,0,0,0,0|2,0,0]=4 2653 B10R0.1 CC/C=C\COC(C)CCC 7a_100000764384_100103147603 [1,1,0,0,0,0|2,0,0]=4 2654 B10R0.1 CC/C=C\COC(C)CCO 34a_100016268518_100009893172 [1,1,0,0,0,0|1,0,0]=3 2655 B10R0.1 CC/C=C\CSC(C)CCC 62a_100000766640_100103147603 [1,1,0,0,0,0|2,0,0]=4 2656 B10R0.1 CC/C=C\CSC(C)CCC 62a_100103147603_100000766640 [1,1,0,0,0,0|2,0,0]=4 2657 B10R0.1 CC/C=C\CSC(C)CCO 62a_100009893172_100103147603 [1,1,0,0,0,0|1,0,0]=3 2658 B10R0.1 CC/C=C\CSC(C)CCO 62a_100103147603_100009893172 [1,1,0,0,0,0|1,0,0]=3 2659 B10R0.1 CC=CCOCC(C)CCC 34a_100000688023_100000070051 [1,1,0,0,0,0|1,0,0]=3 2660 B10R0.1 CC=CCOCC(C)CCC 7a_100000688023_100000070051 [1,1,0,0,0,0|1,0,0]=3 2661 B10R0.1 CC=CCOCC(C)CCN 34a_106354213184_100000070051 [1,1,0,0,0,0|1,0,0]=3 2662 B10R0.1 CC=CCOC[C@@H](N)CCC 34a_100000732646_100000070051 [1,1,0,0,0,0|2,0,0]=4 2663 B10R0.1 CC=CCSCC(C)CCC 62a_100000070051_100011216630 [1,1,0,0,0,0|1,0,0]=3 2664 B10R0.1 CC=CCSCC(C)CCC 62a_100011216630_100000070051 [1,1,0,0,0,0|1,0,0]=3 2665 B10R0.1 CCCCCNC(C)CCO 2230a_100000209983_100009893172 [1,1,0,0,0,0|0,0,2]=4 2666 B10R0.1 CCCCCN[C@H](C)CCO 2230a_100000706166_100000210326 [1,1,0,0,0,0|0,0,2]=4 2667 B10R0.1 CCCCCN[C@H](C)CCO 34a_100000706166_100000718602 [1,1,0,0,0,0|0,0,2]=4 2668 B10R0.1 CCCCCOC(C)CCO 34a_100000210253_100009893172 [1,1,0,0,0,0|0,0,2]=4 2669 B10R0.1 CCCCCOC(C)CCO 7a_100000210253_100009893172 [1,1,0,0,0,0|0,0,2]=4 2670 B10R0.1 CCCCCSC(C)CCO 62a_100000210326_100009893172 [1,1,0,0,0,0|0,0,2]=4 2671 B10R0.1 CCCCCSC(C)CCO 62a_100009893172_100000210326 [1,1,0,0,0,0|0,0,2]=4 2672 B10R0.1 CCOCCNC(C)CCO 2230a_102516460346_100009893172 [1,1,0,0,0,0|1,0,1]=4 2673 B10R0.1 CCOCCNC(C)CCO 34a_102516460346_100009893172 [1,1,0,0,0,0|1,0,1]=4 2674 B10R0.1 CCOCCN[C@H](C)CCO 2230a_100000706166_100011215890 [1,1,0,0,0,0|1,0,1]=4 2675 B10R0.1 CCOCCN[C@H](C)CCO 34a_100000706166_100000210147 [1,1,0,0,0,0|1,0,1]=4 2676 B10R0.1 CCOCCOC(C)CCO 34a_100000210136_100009893172 [1,1,0,0,0,0|1,0,1]=4 2677 B10R0.1 CCOCCOC(C)CCO 7a_100000210136_100009893172 [1,1,0,0,0,0|1,0,1]=4 2678 B10R0.1 CCOCCSC(C)CCO 62a_100000210147_100009893172 [1,1,0,0,0,0|1,0,1]=4 2679 B10R0.1 CCOCCSC(C)CCO 62a_100009893172_100011215890 [1,1,0,0,0,0|1,0,1]=4 2680 B10R0.1 CCSCCNC(C)CCO 2230a_100000106463_100009893172 [1,1,0,0,0,0|1,0,1]=4 2681 B10R0.1 CCSCCN[C@H](C)CCO 2230a_100000706166_100000757381 [1,1,0,0,0,0|1,0,1]=4 2682 B10R0.1 CCSCCN[C@H](C)CCO 34a_100000706166_100000757381 [1,1,0,0,0,0|1,0,1]=4 2683 B10R0.1 CCSCCOC(C)CCO 34a_100000212035_100009893172 [1,1,0,0,0,0|1,0,1]=4 2684 B10R0.1 CCSCCOC(C)CCO 7a_100000212035_100009893172 [1,1,0,0,0,0|1,0,1]=4 2685 B10R0.1 CCSCCSC(C)CCO 62a_100000757381_100009893172 [1,1,0,0,0,0|1,0,1]=4 2686 B10R0.1 CCSCCSC(C)CCO 62a_100009893172_100000757381 [1,1,0,0,0,0|1,0,1]=4 2687 B10R0.1 CNCCCOC(C)CCO 34a_100000213112_100009893172 [1,1,0,0,0,0|1,0,1]=4 2688 B10R0.1 COCCCNC(C)CCO 34a_100150723488_100009893172 [1,1,0,0,0,0|1,0,1]=4 2689 B10R0.1 COCCCN[C@H](C)CCO 2230a_100000706166_100000740836 [1,1,0,0,0,0|1,0,1]=4 2690 B10R0.1 COCCCN[C@H](C)CCO 34a_100000706166_100000740836 [1,1,0,0,0,0|1,0,1]=4 2691 B10R0.1 COCCCOC(C)CCO 34a_100000740835_100009893172 [1,1,0,0,0,0|1,0,1]=4 2692 B10R0.1 COCCCSC(C)CCO 62a_100000709357_100009893172 [1,1,0,0,0,0|1,0,1]=4 2693 B10R0.1 COCCCSC(C)CCO 62a_100009893172_100000709357 [1,1,0,0,0,0|1,0,1]=4 2694 B10R0.1 CSCCCNC(C)CCO 2230a_100000749238_100009893172 [1,1,0,0,0,0|1,0,1]=4 2695 B10R0.1 CSCCCOC(C)CCO 34a_100000690336_100009893172 [1,1,0,0,0,0|1,0,1]=4 2696 B10R0.1 CSCCCOC(C)CCO 7a_100000690336_100009893172 [1,1,0,0,0,0|1,0,1]=4 2697 B10R0.1 C[C@H](CCO)NCCCC=O 2230a_100000706166_200011292268 [1,1,0,0,0,0|1,0,1]=4 2698 B10R0.2 C/C=C/C(C)OC(C)CCC 34a_200102604097_100000766640 [1,1,0,0,0,0|2,0,0]=4 2699 B10R0.2 C/C=C/C(C)OC(C)CCO 34a_200102604097_100009893172 [1,1,0,0,0,0|1,0,0]=3 2700 B10R0.2 CC=CC(=O)CC(C)CCC 1458a_100000210699_100011216630 [1,1,0,0,0,0|1,0,1]=4 2701 B10R0.2 CC=CC(=O)N[C@H](C)CCO 240690a_100000706166_100000210699 [1,1,0,0,0,0|1,0,1]=4 2702 B10R0.19 C/C=C/CC(=O)C(C)CCC 1458a_100000210906_100102629194 [1,1,0,0,0,0|1,0,1]=4 2703 B10R0.19 C/C=C/CN(C)C(C)CCO 269982a_100000731037_100102629194 [1,1,0,0,0,0|1,0,0]=3 2704 B10R0.19 CC=CCC(=O)C(C)CCC 1458a_100000210906_100000070051 [1,1,0,0,0,0|1,0,1]=4 2705 B10R0.19 CC=CCC(=O)C(C)CCC 1458a_100121576822_100000766640 [1,1,0,0,0,0|1,0,1]=4 2706 B10R0.19 CC=CCC(=O)C(C)CCO 1458a_100121576822_100009893172 [1,1,0,0,0,0|0,0,1]=3 2707 B10R0.19 CC=CCC(=O)N(C)CCO 240690a_100000210263_100121576822 [1,1,0,0,0,0|1,0,1]=4 2708 B10R0.19 CC=CCC(=O)N(C)CCO 527a_100000210263_100121576822 [1,1,0,0,0,0|1,0,1]=4 2709 B10R0.19 CC=CCN(C)C(C)CCO 2230a_100000731037_100000070051 [1,1,0,0,0,0|1,0,0]=3 2710 B10R0.24 C/C=C/CN[C@H](CO)CCC 34a_100000732646_100102629194 [1,1,0,0,0,0|2,0,0]=4 2711 B10R0.24 C/C=C/COC(CC)CCC 34a_100000687864_100102629194 [1,1,0,0,0,0|2,0,0]=4 2712 B10R0.24 C/C=C/COC(CC)CCC 7a_100000687864_100102629194 [1,1,0,0,0,0|2,0,0]=4 2713 B10R0.24 C/C=C/CSC(CC)CCC 62a_100011219200_100102629194 [1,1,0,0,0,0|2,0,0]=4 2714 B10R0.24 C/C=C/CSC(CC)CCC 62a_100102629194_100011219200 [1,1,0,0,0,0|2,0,0]=4 2715 B10R0.24 CC=CCNC(CC)CCC 2230a_100000747048_100000070051 [1,1,0,0,0,0|2,0,0]=4 2716 B10R0.24 CC=CCN[C@H](CO)CCC 2230a_100000732646_100000070051 [1,1,0,0,0,0|2,0,0]=4 2717 B10R0.24 CC=CCN[C@H](CO)CCC 34a_100000732646_100000070051 [1,1,0,0,0,0|2,0,0]=4 2718 B10R0.24 CC=CCOC(CC)CCC 34a_100000687864_100000070051 [1,1,0,0,0,0|2,0,0]=4 2719 B10R0.24 CC=CCOC(CC)CCC 7a_100000687864_100000070051 [1,1,0,0,0,0|2,0,0]=4 2720 B10R0.24 CC=CCSC(CC)CCC 62a_100000070051_100011219200 [1,1,0,0,0,0|2,0,0]=4 2721 B10R0.24 CC=CCSC(CC)CCC 62a_100011219200_100000070051 [1,1,0,0,0,0|2,0,0]=4 2722 B10R0.83 C/C=C/COC(C)C(C)CC 7a_100011215189_100102629194 [1,1,0,0,0,0|2,0,0]=4 2723 B10R0.83 CC=CCOC(C)C(C)CC 7a_100011215189_100000070051 [1,1,0,0,0,0|2,0,0]=4 2724 B10R0.91 C/C=C/COC(C)CCCC 34a_100000687866_100102629194 [1,1,0,0,0,0|2,0,0]=4 2725 B10R0.91 C/C=C/COC(C)CCCC 34a_100016270725_200011215066 [1,1,0,0,0,0|2,0,0]=4 2726 B10R0.91 C/C=C/COC(C)CCCC 7a_100000687866_100102629194 [1,1,0,0,0,0|2,0,0]=4 2727 B10R0.91 C/C=C/COC(C)CCCCl 34a_200000718107_100102629194 [1,1,0,0,0,0|2,0,0]=4 2728 B10R0.91 C/C=C/COC(C)CCCCl 7a_200000718107_100102629194 [1,1,0,0,0,0|2,0,0]=4 2729 B10R0.91 C/C=C/COC(C)COCC 34a_100000718985_100102629194 [1,1,0,0,0,0|2,0,0]=4 2730 B10R0.91 C/C=C/COC(C)COCC 7a_100000718985_100102629194 [1,1,0,0,0,0|2,0,0]=4 2731 B10R0.91 C/C=C/CSC(C)CCCC 62a_100102629194_200011215066 [1,1,0,0,0,0|2,0,0]=4 2732 B10R0.91 C/C=C/CSC(C)CCCC 62a_200011215066_100102629194 [1,1,0,0,0,0|2,0,0]=4 2733 B10R0.91 C=CCCC(C)OC/C=C/C 34a_100000765329_100102629194 [1,1,0,0,0,0|2,0,0]=4 2734 B10R0.91 C=CCCC(C)OC/C=C/C 7a_100000765329_100102629194 [1,1,0,0,0,0|2,0,0]=4 2735 B10R0.91 C=CCCC(C)OCC=CC 34a_100000765329_100000070051 [1,1,0,0,0,0|2,0,0]=4 2736 B10R0.91 C=CCCC(C)OCC=CC 7a_100000765329_100000070051 [1,1,0,0,0,0|2,0,0]=4 2737 B10R0.91 CC=CCNC(C)CCCC 2230a_100000126638_100000070051 [1,1,0,0,0,0|2,0,0]=4 2738 B10R0.91 CC=CCOC(C)CCCC 34a_100000687866_100000070051 [1,1,0,0,0,0|2,0,0]=4 2739 B10R0.91 CC=CCOC(C)CCCC 7a_100000687866_100000070051 [1,1,0,0,0,0|2,0,0]=4 2740 B10R0.91 CC=CCOC(C)CCCCl 34a_200000718107_100000070051 [1,1,0,0,0,0|2,0,0]=4 2741 B10R0.91 CC=CCOC(C)CCCCl 7a_200000718107_100000070051 [1,1,0,0,0,0|2,0,0]=4 2742 B10R0.91 CC=CCOC(C)COCC 34a_100000718985_100000070051 [1,1,0,0,0,0|2,0,0]=4 2743 B10R0.91 CC=CCOC(C)COCC 7a_100000718985_100000070051 [1,1,0,0,0,0|2,0,0]=4 2744 B10R0.91 CC=CCSC(C)CCCC 62a_100000070051_200011215066 [1,1,0,0,0,0|2,0,0]=4 2745 B10R0.91 CC=CCSC(C)CCCC 62a_200011215066_100000070051 [1,1,0,0,0,0|2,0,0]=4 2746 B10R0.91 CCCCCC(C)NCCO 2230a_100000211957_100000211926 [1,1,0,0,0,0|0,0,2]=4 2747 B10R0.91 CCCCCC(C)NCCO 2230a_100016997473_200011218191 [1,1,0,0,0,0|0,0,2]=4 2748 B10R0.91 CCCCCC(C)NCCO 270004a_100000210304_100000211708 [1,1,0,0,0,0|0,0,2]=4 2749 B10R0.91 CCCCCC(C)NCCO 34a_100016990907_200011218191 [1,1,0,0,0,0|0,0,2]=4 2750 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [1,1,0,0,0,0|0,0,2]=4 2751 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [1,1,0,0,0,0|0,0,2]=4 2752 B10R0.91 CCCCCC(C)SCCO 62a_100000211926_200011218191 [1,1,0,0,0,0|0,0,2]=4 2753 B10R0.91 CCCCCC(C)SCCO 62a_200011218191_100000211926 [1,1,0,0,0,0|0,0,2]=4 2754 B10R0.91 CCOCCC(C)NCCO 270004a_100000210304_200011216536 [1,1,0,0,0,0|1,0,1]=4 2755 B10R0.91 COCCCC(C)OCCO 34a_200011539412_100000211926 [1,1,0,0,0,0|1,0,1]=4 2756 B10R0.91 COCCCC(C)OCCO 7a_200011539412_100000211926 [1,1,0,0,0,0|1,0,1]=4 2757 B10R0.91 CSCCCC(C)NCCO 270004a_100000210304_100011399439 [1,1,0,0,0,0|1,0,1]=4 2758 B10R0.108 CCC(=O)COC(C)CCO 34a_100000725409_100009893172 [1,1,0,0,0,0|1,0,1]=4 2759 B10R0.108 CCC(=O)CSC(C)CCO 62a_100000747405_100009893172 [1,1,0,0,0,0|1,0,1]=4 2760 B10R0.108 CCC(=O)CSC(C)CCO 62a_100009893172_100000747405 [1,1,0,0,0,0|1,0,1]=4 2761 B10R0.108 CNC(=O)CCN(C)CCO 2230a_100000210263_100000737683 [1,1,0,0,0,0|2,0,0]=4 2762 B10R0.108 CNC(=O)CCN(C)CCO 2230a_100000750875_100000211926 [1,1,0,0,0,0|2,0,0]=4 2763 B10R0.108 CNC(=O)CCN(C)CCO 269982a_100000210263_100000737683 [1,1,0,0,0,0|2,0,0]=4 2764 B10R0.108 CNC(=O)CCN(C)CCO 269982a_100000750875_100000211926 [1,1,0,0,0,0|2,0,0]=4 2765 B10R0.108 CNC(=O)CNC(C)CCO 2230a_100000693194_100009893172 [1,1,0,0,0,0|2,0,0]=4 2766 B10R0.108 CNC(=O)CN[C@H](C)CCO 2230a_100000706166_100000183359 [1,1,0,0,0,0|2,0,0]=4 2767 B10R0.108 CNC(=O)CN[C@H](C)CCO 34a_100000706166_100000183359 [1,1,0,0,0,0|2,0,0]=4 2768 B10R0.108 CNC(=O)COC(C)CCO 34a_100000750040_100009893172 [1,1,0,0,0,0|2,0,0]=4 2769 B10R0.108 CNC(=O)CSC(C)CCO 62a_100000183359_100009893172 [1,1,0,0,0,0|2,0,0]=4 2770 B10R0.108 CNC(=O)CSC(C)CCO 62a_100009893172_100000183359 [1,1,0,0,0,0|2,0,0]=4 2771 B10R0.108 COC(=O)CCN(C)CCO 2230a_100000210263_100000204255 [1,1,0,0,0,0|2,0,0]=4 2772 B10R0.108 COC(=O)CCN(C)CCO 269982a_100000210263_100000204255 [1,1,0,0,0,0|2,0,0]=4 2773 B10R0.108 COC(=O)CCN(C)CCO 269982a_100025711912_100000211926 [1,1,0,0,0,0|2,0,0]=4 2774 B10R0.108 COC(=O)CN[C@H](C)CCO 2230a_100000706166_100000747449 [1,1,0,0,0,0|2,0,0]=4 2775 B10R0.108 COC(=O)CN[C@H](C)CCO 34a_100000706166_100000747449 [1,1,0,0,0,0|2,0,0]=4 2776 B10R0.108 COC(=O)CSC(C)CCO 62a_100000747449_100009893172 [1,1,0,0,0,0|2,0,0]=4 2777 B10R0.108 COC(=O)CSC(C)CCO 62a_100009893172_100000747449 [1,1,0,0,0,0|2,0,0]=4 2778 B10R0.156 C/C=C/COC(C)(C)CCBr 7a_100000702414_100102629194 [1,1,0,0,0,0|2,0,0]=4 2779 B10R0.156 C/C=C/COC(C)(C)CCC 7a_100000748436_100102629194 [1,1,0,0,0,0|2,0,0]=4 2780 B10R0.156 CC=CCOC(C)(C)CCBr 7a_100000702414_100000070051 [1,1,0,0,0,0|2,0,0]=4 2781 B10R0.156 CC=CCOC(C)(C)CCC 7a_100000748436_100000070051 [1,1,0,0,0,0|2,0,0]=4 2782 B10R0.26 C=C(C)C(=O)CC(C)CCC 1458a_100000185857_100011216630 [0,1,0,0,1,0|1,0,1]=4 2783 B10R0.26 C=C(C)C(C)N[C@H](C)CCO 269862a_100000706166_100011216138 [0,1,0,0,1,0|1,0,1]=4 2784 B10R0.26 CC(=O)C(=O)CN(C)CCO 269982a_100000210263_100011261029 [0,1,0,0,1,0|2,0,0]=4 2785 B10R0.26 CC(=O)C(C)N[C@H](C)CCO 2230a_100000706166_100009814033 [0,1,0,0,1,0|2,0,0]=4 2786 B10R0.26 CC(=O)C(C)OC(C)CCO 34a_100000212229_100009893172 [0,1,0,0,1,0|2,0,0]=4 2787 B10R0.26 CC(=O)C(C)SC(C)CCO 62a_100009814033_100009893172 [0,1,0,0,1,0|2,0,0]=4 2788 B10R0.26 CC(=O)C(C)SC(C)CCO 62a_100009893172_100009814033 [0,1,0,0,1,0|2,0,0]=4 2789 B10R0.26 CC(C)C(=O)CN(C)CCO 2230a_100000210263_100000753385 [0,1,0,0,1,0|1,0,1]=4 2790 B10R0.26 CC(C)C(=O)CN(C)CCO 269982a_100000210263_100000753385 [0,1,0,0,1,0|1,0,1]=4 2791 B10R0.26 CC(C)C(=O)N[C@H](C)CCO 240690a_100000706166_100000210198 [0,1,0,0,1,0|1,0,1]=4 2792 B10R0.26 CC(C)C(=O)N[C@H](C)CCO 527a_100000706166_100000210198 [0,1,0,0,1,0|1,0,1]=4 2793 B10R0.26 CC(CCO)NC(C)C(C)C 2230a_100000211541_100009893172 [0,1,0,0,1,0|1,0,1]=4 2794 B10R0.26 CC(CCO)OC(C)C(C)C 7a_100000748068_100009893172 [0,1,0,0,1,0|1,0,1]=4 2795 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000210198_100011216630 [0,1,0,0,1,0|1,0,1]=4 2796 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000748435_100000210206 [0,1,0,0,1,0|1,0,1]=4 2797 B10R0.26 CCCC(C)CC(=O)N(C)C 11a_100102631434_100000748435 [0,1,0,0,1,0|2,0,0]=4 2798 B10R0.26 CCCC(C)CC(=O)N(C)C 1626a_100102631434_100000748435 [0,1,0,0,1,0|2,0,0]=4 2799 B10R0.26 CCCC(C)CC(=O)N(C)C 240690a_100102631434_100000748435 [0,1,0,0,1,0|2,0,0]=4 2800 B10R0.26 CCCC(C)CC(=O)N(C)C 527a_100102631434_100000748435 [0,1,0,0,1,0|2,0,0]=4 2801 B10R0.26 CN(CCO)CC(=O)N(C)C 2230a_100000185065_100000211926 [0,1,0,0,1,0|2,0,0]=4 2802 B10R0.26 CN(CCO)CC(=O)N(C)C 2230a_100000210263_100000185267 [0,1,0,0,1,0|2,0,0]=4 2803 B10R0.26 CN(CCO)CC(=O)N(C)C 269982a_100000210263_100000185267 [0,1,0,0,1,0|2,0,0]=4 2804 B10R0.27 C=C(C)CCN(CC)CCO 2230a_100000210973_100000730704 [0,1,0,0,1,0|1,0,1]=4 2805 B10R0.27 C=C(C)CCN(CC)CCO 269982a_100000210973_100000730704 [0,1,0,0,1,0|1,0,1]=4 2806 B10R0.27 CCCN(CC)CC=C(C)C 2230a_100000226822_100000761012 [0,1,0,0,1,0|2,0,0]=4 2807 B10R0.27 CCCN(CC)CC=C(C)C 269982a_100000226822_100000761012 [0,1,0,0,1,0|2,0,0]=4 2808 B10R0.27 CCN(CC=C(C)C)CCO 2230a_100000210973_100000761012 [0,1,0,0,1,0|1,0,0]=3 2809 B10R0.27 CCN(CC=C(C)C)CCO 269982a_100000210973_100000761012 [0,1,0,0,1,0|1,0,0]=3 2810 B10R0.27 CCN(CCO)CCC(=O)C 269982a_100000210973_100000053229 [0,1,0,0,1,0|2,0,0]=4 2811 B10R0.27 CCN(CCO)CCC(C)C 2230a_100000207693_100000211926 [0,1,0,0,1,0|1,0,1]=4 2812 B10R0.27 CCN(CCO)CCC(C)C 2230a_100000210973_100000210312 [0,1,0,0,1,0|1,0,1]=4 2813 B10R0.27 CCN(CCO)CCC(C)C 269982a_100000207693_100000211926 [0,1,0,0,1,0|1,0,1]=4 2814 B10R0.27 CCN(CCO)CCC(C)C 269982a_100000210973_100000210312 [0,1,0,0,1,0|1,0,1]=4 2815 B10R0.27 CCN(CCO)CCN(C)C 269982a_100000210973_100000755713 [0,1,0,0,1,0|2,0,0]=4 2816 B10R0.27 CCN(CCO)CCN(C)C 269982a_100000225870_100000211926 [0,1,0,0,1,0|2,0,0]=4 2817 B10R0.32 C=C(C)CN(C)C(C)CCO 2230a_100000225649_100009893172 [0,1,0,0,1,0|1,0,1]=4 2818 B10R0.32 C=C(C)CN(C)C(C)CCO 2230a_100000731037_100000748629 [0,1,0,0,1,0|1,0,1]=4 2819 B10R0.32 C=C(C)CN(C)C(C)CCO 269982a_100000225649_100009893172 [0,1,0,0,1,0|1,0,1]=4 2820 B10R0.32 C=C(C)CN(C)C(C)CCO 269982a_100000731037_100000748629 [0,1,0,0,1,0|1,0,1]=4 2821 B10R0.32 CC(=CC(=O)C(C)CCO)C 1458a_100000211388_100009893172 [0,1,0,0,1,0|0,0,1]=3 2822 B10R0.32 CC(=CC(=O)C(C)CCO)Cl 1458a_200042562850_100009893172 [0,1,0,0,1,0|1,0,1]=4 2823 B10R0.32 CC(=CC(=O)C(C)CCO)I 1458a_100025716642_100009893172 [0,1,0,0,1,0|1,0,1]=4 2824 B10R0.32 CC(=CC(=O)N(C)CCO)C 240690a_100000210263_100000211388 [0,1,0,0,1,0|1,0,1]=4 2825 B10R0.32 CC(C)CC(=O)C(C)CCO 1458a_100000210554_100009893172 [0,1,0,0,1,0|0,0,2]=4 2826 B10R0.32 CC(C)CC(C)N(C)CCO 2230a_100000210263_100000731052 [0,1,0,0,1,0|1,0,1]=4 2827 B10R0.32 CC(C)CC(C)N(C)CCO 2230a_100000745462_100000211926 [0,1,0,0,1,0|1,0,1]=4 2828 B10R0.32 CC(C)CC(C)N(C)CCO 269982a_100000210263_100000731052 [0,1,0,0,1,0|1,0,1]=4 2829 B10R0.32 CC(C)CC(C)N(C)CCO 269982a_100000745462_100000211926 [0,1,0,0,1,0|1,0,1]=4 2830 B10R0.32 CC(C)CN(C)C(C)CCO 2230a_100000731037_100000210760 [0,1,0,0,1,0|1,0,1]=4 2831 B10R0.32 CC(C)CN(C)C(C)CCO 2230a_100000747067_100009893172 [0,1,0,0,1,0|1,0,1]=4 2832 B10R0.32 CC(C)CN(C)C(C)CCO 269982a_100000731037_100000210624 [0,1,0,0,1,0|1,0,1]=4 2833 B10R0.32 CC(C)CN(C)C(C)CCO 269982a_100000747067_100009893172 [0,1,0,0,1,0|1,0,1]=4 2834 B10R0.32 CC(C)CN(C)C(C)CCO 270004a_100000731037_100000210432 [0,1,0,0,1,0|1,0,1]=4 2835 B10R0.32 CC(CCO)C(=O)CN(C)C 1458a_100000750896_100009893172 [0,1,0,0,1,0|1,0,1]=4 2836 B10R0.32 CC(CCO)C(=O)C[S+](C)C 1458a_200159257847_100009893172 [0,1,0,0,1,0|1,0,1]=4 2837 B10R0.32 CC(CN(C)C)N(C)CCO 269982a_100000210263_100020606517 [0,1,0,0,1,0|2,0,0]=4 2838 B10R0.32 CCCC(C)C(=O)C=C(C)C 1458a_100000211388_100000766640 [0,1,0,0,1,0|1,0,1]=4 2839 B10R0.96 C=C(C)CCN(C)CC(C)O 2230a_100000227577_100000730704 [0,1,0,0,1,0|1,0,1]=4 2840 B10R0.96 C=C(C)CCN(C)CC(C)O 269982a_100000227577_100000730704 [0,1,0,0,1,0|1,0,1]=4 2841 B10R0.96 CC(=CCC(=O)CC(C)O)C 1458a_100011220947_100011218427 [0,1,0,0,1,0|1,0,1]=4 2842 B10R0.96 CC(=CCC(=O)C[C@@H](C)O)C 1458a_100011933948_100000761012 [0,1,0,0,1,0|1,0,1]=4 2843 B10R0.96 CC(=CCN(C)CC(=O)O)C 269956a_100000746989_100000761012 [0,1,0,0,1,0|1,0,1]=4 2844 B10R0.96 CC(=CCN(C)CC(C)C)C 2230a_100000747067_100000761012 [0,1,0,0,1,0|2,0,0]=4 2845 B10R0.96 CC(=CCN(C)CC(C)C)C 269982a_100000747067_100000761012 [0,1,0,0,1,0|2,0,0]=4 2846 B10R0.96 CC(=CCN(C)CC(C)O)C 2230a_100000227577_100000761012 [0,1,0,0,1,0|1,0,0]=3 2847 B10R0.96 CC(=CCN(C)CC(C)O)C 269982a_100000227577_100000761012 [0,1,0,0,1,0|1,0,0]=3 2848 B10R0.96 CC(=O)CCN(C)CC(C)O 269982a_100000227577_100000053229 [0,1,0,0,1,0|2,0,0]=4 2849 B10R0.96 CC(C)CCN(C)CC(C)O 2230a_100000227577_100000210312 [0,1,0,0,1,0|1,0,1]=4 2850 B10R0.96 CC(C)CCN(C)CC(C)O 2230a_100000742789_100011218427 [0,1,0,0,1,0|1,0,1]=4 2851 B10R0.96 CC(C)CCN(C)CC(C)O 269982a_100000227577_100000210312 [0,1,0,0,1,0|1,0,1]=4 2852 B10R0.96 CC(C)CCN(C)CC(C)O 269982a_100000742789_100011218427 [0,1,0,0,1,0|1,0,1]=4 2853 B10R0.96 CC(C)CCN(C)C[C@@H](C)O 2230a_100000742789_100009817552 [0,1,0,0,1,0|1,0,1]=4 2854 B10R0.96 CC(C)CCN(C)C[C@@H](C)O 269982a_100000742789_100009817552 [0,1,0,0,1,0|1,0,1]=4 2855 B10R0.96 CC(O)CN(C)CCN(C)C 269982a_100000225618_100011218427 [0,1,0,0,1,0|2,0,0]=4 2856 B10R0.96 CC(O)CN(C)CCN(C)C 269982a_100000227577_100000755713 [0,1,0,0,1,0|2,0,0]=4 2857 B10R0.96 C[C@@H](O)CN(C)CCN(C)C 269982a_100000225618_100009817552 [0,1,0,0,1,0|2,0,0]=4 2858 B10R0.105 CC(C)CNC(C)(C)CCO 270004a_100000763138_100000210432 [0,1,0,0,1,0|1,0,1]=4 2859 B10R0.109 CC(CCO)NCC(C)(C)C 2230a_100000743828_100009893172 [0,1,0,0,1,0|1,0,1]=4 2860 B10R0.109 CC(CCO)NCC(C)(C)F 2230a_100020643315_100009893172 [0,1,0,0,1,0|1,0,1]=4 2861 B10R0.109 CC(CCO)NCC(C)(C)O 2230a_100000751335_100009893172 [0,1,0,0,1,0|1,0,1]=4 2862 B10R0.109 CC(CCO)OCC(C)(C)F 34a_100000716592_100009893172 [0,1,0,0,1,0|1,0,1]=4 2863 B10R0.109 CC(CCO)SCC(C)(C)C 62a_100009893172_100011219605 [0,1,0,0,1,0|1,0,1]=4 2864 B10R0.109 CC(CCO)SCC(C)(C)C 62a_100011219605_100009893172 [0,1,0,0,1,0|1,0,1]=4 2865 B10R0.109 CC(CCO)SCC(C)(C)F 62a_100009893172_100011997219 [0,1,0,0,1,0|1,0,1]=4 2866 B10R0.109 CC(CCO)SCC(C)(C)F 62a_100011997219_100009893172 [0,1,0,0,1,0|1,0,1]=4 2867 B10R0.109 CC(CCO)SCC(C)(C)O 62a_100000764493_100009893172 [0,1,0,0,1,0|1,0,1]=4 2868 B10R0.109 CC(CCO)SCC(C)(C)O 62a_100009893172_100000764493 [0,1,0,0,1,0|1,0,1]=4 2869 B10R0.109 CC(CCO)SC[N+](C)(C)C 62a_100009893172_200000036245 [0,1,0,0,1,0|2,0,0]=4 2870 B10R0.109 CC(CCO)SC[N+](C)(C)C 62a_200000036245_100009893172 [0,1,0,0,1,0|2,0,0]=4 2871 B10R0.109 CC(CCO)SC[Si](C)(C)C 62a_100000037933_100009893172 [0,1,0,0,1,0|1,1,0]=4 2872 B10R0.109 CC(CCO)SC[Si](C)(C)C 62a_100009893172_100000037933 [0,1,0,0,1,0|1,1,0]=4 2873 B10R0.109 CN(CCO)CCC(C)(C)C 2230a_100000210263_100000755188 [0,1,0,0,1,0|1,0,1]=4 2874 B10R0.109 CN(CCO)CCC(C)(C)C 269982a_100000210263_100000755188 [0,1,0,0,1,0|1,0,1]=4 2875 B10R0.109 CN(CCO)CCC(C)(C)O 2230a_100000210263_100000702414 [0,1,0,0,1,0|1,0,1]=4 2876 B10R0.109 CN(CCO)CC[N+](C)(C)C 269982a_100000210263_100000085578 [0,1,0,0,1,0|2,0,0]=4 2877 B10R0.109 CN(CCO)CC[Si](C)(C)C 2230a_100000210263_200000733723 [0,1,0,0,1,0|1,1,0]=4 2878 B10R0.109 CN(CCO)CC[Si](C)(C)C 269982a_100000210263_200000733723 [0,1,0,0,1,0|1,1,0]=4 2879 B10R0.109 C[C@H](CCO)NCC(C)(C)C 270004a_100000706166_100011204126 [0,1,0,0,1,0|1,0,1]=4 2880 B10R0.109 C[C@H](CCO)NCC(C)(C)C 34a_100000706166_100011219605 [0,1,0,0,1,0|1,0,1]=4 2881 B10R0.109 C[C@H](CCO)NCC(C)(C)F 34a_100000706166_100011997219 [0,1,0,0,1,0|1,0,1]=4 2882 B10R0.109 C[C@H](CCO)NCC(C)(C)O 34a_100000706166_100000764493 [0,1,0,0,1,0|1,0,1]=4 2883 B10R0.109 C[C@H](CCO)NC[Si](C)(C)C 2230a_100000706166_100000037933 [0,1,0,0,1,0|1,1,0]=4 2884 B12R0.54 C=CCC(C)C(=O)CCC=C(C)C 1458a_100011216819_100011217483 [0,1,0,0,0,1|1,0,1]=4 2885 B12R0.54 CC(=CCCC(C)N(C)CCO)C 270004a_100000210263_100000765506 [0,1,0,0,0,1|1,0,0]=3 2886 B12R0.54 CC(=CCCN(C)C(C)CCO)C 2230a_100000731037_100011217483 [0,1,0,0,0,1|0,0,0]=2 2887 B12R0.54 CC(=CCCN(C)C(C)CCO)C 269982a_100000731037_100011217483 [0,1,0,0,0,1|0,0,0]=2 2888 B12R0.54 CC(=CCNC(=O)N(C)CCO)C 2708a_100000718196_100000210263 [0,1,0,0,0,1|1,0,1]=4 2889 B12R0.54 CC(=CCNC(=O)N(C)CCO)C 273464a_100000718196_100000210263 [0,1,0,0,0,1|1,0,1]=4 2890 B12R0.54 CC(=O)CCCN(C)C(C)CCO 269982a_100000731037_100011215641 [0,1,0,0,0,1|1,0,1]=4 2891 B12R0.54 CC(=O)NCCC(=O)C(C)CCO 1458a_100000183196_100009893172 [0,1,0,0,0,1|2,0,0]=4 2892 B12R0.54 CC(=O)NCCN(C)C(C)CCO 2230a_100000731037_100000189650 [0,1,0,0,0,1|2,0,0]=4 2893 B12R0.54 CC(=O)NCCN(C)C(C)CCO 269982a_100000731037_100000189650 [0,1,0,0,0,1|2,0,0]=4 2894 B12R0.54 CC(=O)OCCN(C)C(C)CCO 269982a_100000731037_100009814007 [0,1,0,0,0,1|2,0,0]=4 2895 B12R0.54 CC(=O)SCCC(=O)C(C)CCO 1458a_100000048949_100009893172 [0,1,0,0,0,1|2,0,0]=4 2896 B12R0.54 CC(C)/C=C/CC(=O)C(C)CCO 1458a_100016292215_100009893172 [0,1,0,0,0,1|0,0,2]=4 2897 B12R0.54 CC(C)CCCC(=O)C(C)CCO 1458a_100011216857_100009893172 [0,1,0,0,0,1|0,0,2]=4 2898 B12R0.54 CC(C)CCCN(C)C(C)CCO 2230a_100000731037_100011214892 [0,1,0,0,0,1|0,0,2]=4 2899 B12R0.54 CC(C)CCCN(C)C(C)CCO 269982a_100000731037_100011214892 [0,1,0,0,0,1|0,0,2]=4 2900 B12R0.54 CC(C)OCCN(C)C(C)CCO 2230a_100000731037_100000211751 [0,1,0,0,0,1|1,0,1]=4 2901 B12R0.54 CC(C)OCCN(C)C(C)CCO 269982a_100000731037_100000211751 [0,1,0,0,0,1|1,0,1]=4 2902 B12R0.54 CC(C)SCCN(C)C(C)CCO 2230a_100000731037_100000730970 [0,1,0,0,0,1|1,0,1]=4 2903 B12R0.54 CC(C)SCCN(C)C(C)CCO 269982a_100000731037_100000730970 [0,1,0,0,0,1|1,0,1]=4 2904 B12R0.54 CC(CCO)N(C)CCC=C(F)F 2230a_100000731037_200009816681 [0,1,0,0,0,1|2,0,0]=4 2905 B12R0.54 CC(CCO)N(C)CCC=C(F)F 269982a_100000731037_200009816681 [0,1,0,0,0,1|2,0,0]=4 2906 B12R0.54 CC(CCO)N(C)CCCN(C)C 269982a_100000225831_100009893172 [0,1,0,0,0,1|1,0,1]=4 2907 B12R0.54 CC(CCO)N(C)CCCN(C)C 269982a_100000731037_100000757444 [0,1,0,0,0,1|1,0,1]=4 2908 B12R0.54 CCCC(C)C(=O)CCC=C(C)C 1458a_100000210906_100011217483 [0,1,0,0,0,1|1,0,0]=3 2909 B12R0.54 CCCC(C)C(=O)NCC=C(C)C 11a_100000718196_100000210906 [0,1,0,0,0,1|1,0,1]=4 2910 B12R0.54 CCCC(C)C(=O)NCC=C(C)C 1626a_100000718196_100000210906 [0,1,0,0,0,1|1,0,1]=4 2911 B12R0.54 CCCC(C)C(=O)NCC=C(C)C 527a_100000718196_100000210906 [0,1,0,0,0,1|1,0,1]=4 2912 B12R0.54 CCCC(C)C(C)NCC=C(C)C 270004a_100000718196_100011216282 [0,1,0,0,0,1|1,0,0]=3 2913 B12R0.54 CCCC(C)C(C)OCC=C(C)C 34a_100000708338_100000761012 [0,1,0,0,0,1|1,0,0]=3 2914 B12R0.54 CCCC(C)C(C)OCC=C(C)C 7a_100000708338_100000761012 [0,1,0,0,0,1|1,0,0]=3 2915 B12R0.54 CCCN(C)C(C)CCC=C(C)C 270004a_100000747261_100000765506 [0,1,0,0,0,1|2,0,0]=4 2916 B12R0.54 CCC[C@H](O)C(=O)CCC=C(C)C 1458a_100009822183_100011217483 [0,1,0,0,0,1|2,0,0]=4 2917 B12R0.54 CCOC(C)C(=O)CCC=C(C)C 1458a_100000739345_100011217483 [0,1,0,0,0,1|2,0,0]=4 2918 B12R0.54 CCSC(C)C(=O)CCC=C(C)C 1458a_100000230601_100011217483 [0,1,0,0,0,1|2,0,0]=4 2919 B12R0.54 COCC(C)C(=O)CCC=C(C)C 1458a_100000751857_100011217483 [0,1,0,0,0,1|2,0,0]=4 2920 B12R0.54 CSCC(C)C(=O)CCC=C(C)C 1458a_100000753918_100011217483 [0,1,0,0,0,1|2,0,0]=4 2921 B12R0.72 CC(CCO)NCCOC(C)(C)C 2230a_100000747557_100009893172 [0,1,0,0,0,1|1,0,1]=4 2922 B12R0.72 CC(CCO)NCCSC(C)(C)C 2230a_100000689375_100009893172 [0,1,0,0,0,1|1,0,1]=4 2923 B12R0.72 CC(CCO)OC/C=C/[Si](C)(C)C 7a_200016270829_100009893172 [0,1,0,0,0,1|0,1,1]=4 2924 B12R0.72 CC(CCO)OCCC[Si](C)(C)C 7a_200011215415_100009893172 [0,1,0,0,0,1|0,1,1]=4 2925 B12R0.72 CC(CCO)OCCOC(C)(C)C 34a_100000693234_100009893172 [0,1,0,0,0,1|1,0,1]=4 2926 B12R0.72 CC(CCO)OCCOC(C)(C)C 7a_100000693234_100009893172 [0,1,0,0,0,1|1,0,1]=4 2927 B12R0.72 CC(CCO)SCCCC(C)(C)O 62a_100009888830_100009893172 [0,1,0,0,0,1|0,0,2]=4 2928 B12R0.72 CC(CCO)SCCCC(C)(C)O 62a_100009893172_100009888830 [0,1,0,0,0,1|0,0,2]=4 2929 B12R0.72 CC(CCO)SCCC[N+](C)(C)C 62a_100009893172_100016990835 [0,1,0,0,0,1|1,0,1]=4 2930 B12R0.72 CC(CCO)SCCC[N+](C)(C)C 62a_100016990835_100009893172 [0,1,0,0,0,1|1,0,1]=4 2931 B12R0.72 CC(CCO)SCCC[Si](C)(C)C 62a_100009893172_100011219597 [0,1,0,0,0,1|0,1,1]=4 2932 B12R0.72 CC(CCO)SCCC[Si](C)(C)C 62a_100011219597_100009893172 [0,1,0,0,0,1|0,1,1]=4 2933 B12R0.72 CC(CCO)SCCO[Si](C)(C)C 62a_100009893172_200000032530 [0,1,0,0,0,1|1,1,0]=4 2934 B12R0.72 CC(CCO)SCCO[Si](C)(C)C 62a_200000032530_100009893172 [0,1,0,0,0,1|1,1,0]=4 2935 B12R0.72 C[C@H](CCO)NCCCC(C)(C)O 2230a_100000706166_100009888830 [0,1,0,0,0,1|0,0,2]=4 2936 B12R0.72 C[C@H](CCO)NCCCC(C)(C)O 34a_100000706166_100009888830 [0,1,0,0,0,1|0,0,2]=4 2937 B12R0.72 C[C@H](CCO)NCCC[N+](C)(C)C 2230a_100000706166_100016990835 [0,1,0,0,0,1|1,0,1]=4 2938 B12R0.72 C[C@H](CCO)NCCC[N+](C)(C)C 34a_100000706166_100016990835 [0,1,0,0,0,1|1,0,1]=4 2939 B12R0.72 C[C@H](CCO)NCCC[Si](C)(C)C 2230a_100000706166_100011219597 [0,1,0,0,0,1|0,1,1]=4 2940 B12R0.72 C[C@H](CCO)NCCC[Si](C)(C)C 34a_100000706166_100011219597 [0,1,0,0,0,1|0,1,1]=4 2941 B12R0.72 C[C@H](CCO)NCCO[Si](C)(C)C 2230a_100000706166_200000032530 [0,1,0,0,0,1|1,1,0]=4 2942 B12R0.72 C[C@H](CCO)NCCO[Si](C)(C)C 34a_100000706166_200000032530 [0,1,0,0,0,1|1,1,0]=4 2943 B12R0.86 C=C[C@@H](C)[C@@H](C)OCCC=C(C)C 34a_100015455354_100011217483 [0,1,0,0,0,1|1,0,1]=4 2944 B12R0.86 C=C[C@@H](C)[C@@H](C)OCCC=C(C)C 7a_100015455354_100011217483 [0,1,0,0,0,1|1,0,1]=4 2945 B12R0.86 CCC(=O)C(C)SCCC=C(C)C 62a_100000742827_100011217483 [0,1,0,0,0,1|1,0,1]=4 2946 B12R0.86 CCC(=O)C(C)SCCC=C(C)C 62a_100011217483_100000742827 [0,1,0,0,0,1|1,0,1]=4 2947 B12R0.86 CCC(C)C(C)OCCC=C(C)C 7a_100011215189_100011217483 [0,1,0,0,0,1|1,0,0]=3 2948 B12R0.86 CCN(C)C(C)COCC=C(C)C 7a_100000732741_100000761012 [0,1,0,0,0,1|2,0,0]=4 2949 B12R0.95 C#CCOC(C)COCC=C(C)C 34a_200000093152_100000761012 [0,1,0,0,0,1|1,0,1]=4 2950 B12R0.95 C#CCOC(C)COCC=C(C)C 7a_200000093152_100000761012 [0,1,0,0,0,1|1,0,1]=4 2951 B12R0.95 C=C(C)CCNC[C@H](C)CCCO 2230a_100160569302_100000730704 [0,1,0,0,0,1|0,0,2]=4 2952 B12R0.95 C=C(C)CCNC[C@H](C)CCCO 34a_100160569302_100000730704 [0,1,0,0,0,1|0,0,2]=4 2953 B12R0.95 C=CCCC(C)OCCC=C(C)C 34a_100000765329_100011217483 [0,1,0,0,0,1|1,0,0]=3 2954 B12R0.95 C=CCCC(C)OCCC=C(C)C 7a_100000765329_100011217483 [0,1,0,0,0,1|1,0,0]=3 2955 B12R0.95 CC(=CCCOC(C)CCCCl)C 34a_200000718107_100011217483 [0,1,0,0,0,1|1,0,0]=3 2956 B12R0.95 CC(=CCCOC(C)CCCCl)C 7a_200000718107_100011217483 [0,1,0,0,0,1|1,0,0]=3 2957 B12R0.95 CC(=CCNC[C@H](C)CCCO)C 2230a_100160569302_100000761012 [0,1,0,0,0,1|0,0,0]=2 2958 B12R0.95 CC(=CCNC[C@H](C)CCCO)C 34a_100160569302_100000761012 [0,1,0,0,0,1|0,0,0]=2 2959 B12R0.95 CC(=O)OCNC[C@H](C)CCCO 34a_100160569302_100009813279 [0,1,0,0,0,1|2,0,0]=4 2960 B12R0.95 CC(C)CCNC[C@H](C)CCCO 2230a_100160569302_100000210312 [0,1,0,0,0,1|0,0,2]=4 2961 B12R0.95 CC(C)CCNC[C@H](C)CCCO 269862a_100160569302_100000185833 [0,1,0,0,0,1|0,0,2]=4 2962 B12R0.95 CC(C)CCNC[C@H](C)CCCO 34a_100160569302_100000210312 [0,1,0,0,0,1|0,0,2]=4 2963 B12R0.95 CC(C)COCCC(C)NCCO 270004a_100000210304_200011216429 [0,1,0,0,0,1|0,0,2]=4 2964 B12R0.95 CC(C)OCNC[C@H](C)CCCO 2230a_100160569302_100000709892 [0,1,0,0,0,1|1,0,1]=4 2965 B12R0.95 CC(C)OCNC[C@H](C)CCCO 34a_100160569302_100000709892 [0,1,0,0,0,1|1,0,1]=4 2966 B12R0.95 CCC#CC(C)OCCC=C(C)C 34a_100000033903_100011217483 [0,1,0,0,0,1|1,0,1]=4 2967 B12R0.95 CCC#CC(C)OCCC=C(C)C 7a_100000033903_100011217483 [0,1,0,0,0,1|1,0,1]=4 2968 B12R0.95 CCCCC(C)COCC=C(C)C 34a_100011995851_100000761012 [0,1,0,0,0,1|1,0,0]=3 2969 B12R0.95 CCCCC(C)COCC=C(C)C 7a_100011995851_100000761012 [0,1,0,0,0,1|1,0,0]=3 2970 B12R0.95 CCCCC(C)NCCC=C(C)C 2230a_100000126638_100011217483 [0,1,0,0,0,1|1,0,0]=3 2971 B12R0.95 CCCCC(C)OCCC=C(C)C 34a_100000687866_100011217483 [0,1,0,0,0,1|1,0,0]=3 2972 B12R0.95 CCCCC(C)OCCC=C(C)C 7a_100000687866_100011217483 [0,1,0,0,0,1|1,0,0]=3 2973 B12R0.95 CCCCC(C)SCCC=C(C)C 62a_100011217483_200011215066 [0,1,0,0,0,1|1,0,0]=3 2974 B12R0.95 CCCCC(C)SCCC=C(C)C 62a_200011215066_100011217483 [0,1,0,0,0,1|1,0,0]=3 2975 B12R0.95 CCCC[C@H](N)COCC=C(C)C 34a_100011934283_100000761012 [0,1,0,0,0,1|2,0,0]=4 2976 B12R0.95 CCCOC(C)CNCC=C(C)C 2230a_100015185124_100000761012 [0,1,0,0,0,1|1,0,0]=3 2977 B12R0.95 CCCOC(C)CNCC=C(C)C 34a_100015185124_100000761012 [0,1,0,0,0,1|1,0,0]=3 2978 B12R0.95 CCOCC(C)OCCC=C(C)C 34a_100000718985_100011217483 [0,1,0,0,0,1|1,0,0]=3 2979 B12R0.95 CCOCC(C)OCCC=C(C)C 7a_100000718985_100011217483 [0,1,0,0,0,1|1,0,0]=3 2980 B12R0.95 CCOCC(O)CNCC=C(C)C 2230a_102515437182_100000761012 [0,1,0,0,0,1|2,0,0]=4 2981 B12R0.95 CCOCC(O)CNCC=C(C)C 34a_102515437182_100000761012 [0,1,0,0,0,1|2,0,0]=4 2982 B12R0.95 COCCC(C)NCCCC(C)C 270004a_200000737386_100000742357 [0,1,0,0,0,1|0,0,2]=4 2983 B12R0.95 COCCC(C)NCCCN(C)C 270004a_102531767803_100000742357 [0,1,0,0,0,1|1,0,1]=4 2984 B12R0.95 COCCC(C)NCCOC(C)C 270004a_100000701111_100000742357 [0,1,0,0,0,1|1,0,1]=4 2985 B12R0.95 COCCC(C)NCCSC(C)C 270004a_100000731138_100000742357 [0,1,0,0,0,1|1,0,1]=4 2986 B12R0.95 COCO[C@H](C)COCC=C(C)C 34a_100016172286_100000761012 [0,1,0,0,0,1|1,0,0]=3 2987 B12R0.95 COCO[C@H](C)COCC=C(C)C 7a_100016172286_100000761012 [0,1,0,0,0,1|1,0,0]=3 2988 B12R0.95 CSCC[C@H](N)COCC=C(C)C 34a_100011827619_100000761012 [0,1,0,0,0,1|1,1,0]=4 2989 B12R0.172 C=CCC(C)(C)OCCC=C(C)C 7a_100011995686_100011217483 [0,1,0,0,0,1|1,0,1]=4 2990 B12R0.172 CC(=CCCOC(C)(C)CCBr)C 7a_100000702414_100011217483 [0,1,0,0,0,1|1,0,0]=3 2991 B12R0.172 CC(=CCSC[N+](C)(C)CCO)C 62a_100000761012_200010270792 [0,1,0,0,0,1|1,0,0]=3 2992 B12R0.172 CC(=CCSC[N+](C)(C)CCO)C 62a_200010270792_100000761012 [0,1,0,0,0,1|1,0,0]=3 2993 B12R0.172 CCCC(C)(C)COCC=C(C)C 7a_100011995695_100000761012 [0,1,0,0,0,1|1,0,0]=3 2994 B12R0.172 CCCC(C)(C)OCCC=C(C)C 7a_100000748436_100011217483 [0,1,0,0,0,1|1,0,0]=3 2995 B12R0.172 CCNC(C)(C)COCC=C(C)C 7a_100000747347_100000761012 [0,1,0,0,0,1|2,0,0]=4 2996 B12R0.172 COCC(C)(C)CNCC=C(C)C 2230a_100000734190_100000761012 [0,1,0,0,0,1|2,0,0]=4 2997 B12R0.172 COCC(C)(C)NCCC=C(C)C 2230a_100000752728_100011217483 [0,1,0,0,0,1|2,0,0]=4 2998 B12R0.172 CSCC(C)(C)NCCC=C(C)C 2230a_100000759623_100011217483 [0,1,0,0,0,1|2,0,0]=4 2999 B12R0.172 CSCC(C)(C)NCCC=C(C)C 7a_100000759623_100011217483 [0,1,0,0,0,1|2,0,0]=4 3000 B12R0.224 C#CC(CCC)OCCC=C(C)C 34a_200011217317_100011217483 [0,1,0,0,0,1|1,0,1]=4 3001 B12R0.224 C#CC(CCC)OCCC=C(C)C 7a_200011217317_100011217483 [0,1,0,0,0,1|1,0,1]=4 3002 B12R0.224 C#CCC(CC)OCCC=C(C)C 34a_200011217983_100011217483 [0,1,0,0,0,1|1,0,1]=4 3003 B12R0.224 C#CCC(CC)OCCC=C(C)C 7a_200011217983_100011217483 [0,1,0,0,0,1|1,0,1]=4 3004 B12R0.224 C=CC(CCC)OCCC=C(C)C 34a_100011216692_100011217483 [0,1,0,0,0,1|1,0,1]=4 3005 B12R0.224 C=CC(CCC)OCCC=C(C)C 7a_100011216692_100011217483 [0,1,0,0,0,1|1,0,1]=4 3006 B12R0.224 C=CC[C@H](CO)NCCC=C(C)C 2230a_100020615467_100011217483 [0,1,0,0,0,1|1,0,1]=4 3007 B12R0.224 CCC(COC)NCCC=C(C)C 2230a_100000757820_100011217483 [0,1,0,0,0,1|2,0,0]=4 3008 B12R0.224 CCC(COC)OCCC=C(C)C 7a_200011214946_100011217483 [0,1,0,0,0,1|2,0,0]=4 3009 B12R0.224 CCCC(C#N)OCCC=C(C)C 34a_100000686963_100011217483 [0,1,0,0,0,1|1,0,1]=4 3010 B12R0.224 CCCC(C#N)OCCC=C(C)C 7a_100000686963_100011217483 [0,1,0,0,0,1|1,0,1]=4 3011 B12R0.224 CCCC(CC)NCCC=C(C)C 2230a_100000747048_100011217483 [0,1,0,0,0,1|1,0,0]=3 3012 B12R0.224 CCCC(CC)OCCC=C(C)C 34a_100000687864_100011217483 [0,1,0,0,0,1|1,0,0]=3 3013 B12R0.224 CCCC(CC)OCCC=C(C)C 7a_100000687864_100011217483 [0,1,0,0,0,1|1,0,0]=3 3014 B12R0.224 CCCC(CC)SCCC=C(C)C 62a_100011217483_100011219200 [0,1,0,0,0,1|1,0,0]=3 3015 B12R0.224 CCCC(CC)SCCC=C(C)C 62a_100011219200_100011217483 [0,1,0,0,0,1|1,0,0]=3 3016 B12R0.224 CCC[C@@H](CO)NCCC=C(C)C 2230a_100000732646_100011217483 [0,1,0,0,0,1|1,0,0]=3 3017 B12R0.224 CCC[C@@H](CO)NCCC=C(C)C 34a_100000732646_100011217483 [0,1,0,0,0,1|1,0,0]=3 3018 B12R0.224 CCOC(CC)CNCC=C(C)C 2230a_100015183923_100000761012 [0,1,0,0,0,1|2,0,0]=4 3019 B12R0.224 CCOC(CC)CNCC=C(C)C 34a_100015183923_100000761012 [0,1,0,0,0,1|2,0,0]=4 3020 B12R0.224 CC[C@H](CC#N)NCCC=C(C)C 2230a_200009818565_100011217483 [0,1,0,0,0,1|1,0,1]=4 3021 B12R0.224 COCC(CCl)OCCC=C(C)C 34a_100011215053_100011217483 [0,1,0,0,0,1|2,0,0]=4 3022 B12R0.224 COCC(CN)OCCC=C(C)C 34a_100000756049_100011217483 [0,1,0,0,0,1|2,0,0]=4 3023 B12R0.224 COCC(CO)NCCC=C(C)C 2230a_100000724102_100011217483 [0,1,0,0,0,1|2,0,0]=4 3024 B12R0.224 COCC(CO)NCCC=C(C)C 34a_100000724102_100011217483 [0,1,0,0,0,1|2,0,0]=4 3025 B12R0.270 CC(=CCCNC(C)CC(C)C)C 2230a_100000692259_100011217483 [0,1,0,0,0,1|1,0,0]=3 3026 B12R0.270 CC(=CCCOC(C)CC(C)C)C 34a_100000211805_100011217483 [0,1,0,0,0,1|1,0,0]=3 3027 B12R0.270 CC(=CCCOC(C)CC(C)C)C 7a_100000211805_100011217483 [0,1,0,0,0,1|1,0,0]=3 3028 B12R0.270 CC(=CCCSC(C)CC(C)C)C 62a_100000731052_100011217483 [0,1,0,0,0,1|1,0,0]=3 3029 B12R0.270 CC(=CCCSC(C)CC(C)C)C 62a_100011217483_100000731052 [0,1,0,0,0,1|1,0,0]=3 3030 B12R0.270 CC(=CCCSC(C)CN(C)C)C 62a_100011217483_100020606517 [0,1,0,0,0,1|2,0,0]=4 3031 B12R0.270 CC(=CCCSC(C)CN(C)C)C 62a_100020606517_100011217483 [0,1,0,0,0,1|2,0,0]=4 3032 B12R0.270 CC(=CCNCC(O)CC(=O)O)C 269956a_100011218706_100000761012 [0,1,0,0,0,1|1,0,1]=4 3033 B12R0.270 CC(=CCOC[C@@H](N)CC(C)C)C 34a_100011830311_100000761012 [0,1,0,0,0,1|2,0,0]=4 3034 B12R0.270 CC(=CCSCC(C)CN(C)C)C 62a_100000761012_100015348159 [0,1,0,0,0,1|2,0,0]=4 3035 B12R0.270 CC(=CCSCC(C)CN(C)C)C 62a_100015348159_100000761012 [0,1,0,0,0,1|2,0,0]=4 3036 B12R0.272 CC(=O)NC(=O)CSC(C)CCO 62a_100009893172_100000183797 [0,1,0,0,0,1|2,0,0]=4 3037 B12R0.272 CC(C)C[C@H](N)COC(C)CCO 34a_100011830311_100009893172 [0,1,0,0,0,1|0,0,2]=4 3038 B12R0.272 CC(C)NC(=O)CCN(C)CCO 2230a_100000210263_100000737564 [0,1,0,0,0,1|1,0,1]=4 3039 B12R0.272 CC(C)NC(=O)CCN(C)CCO 269982a_100000210263_100000737564 [0,1,0,0,0,1|1,0,1]=4 3040 B12R0.272 CC(C)NC(=O)CNC(C)CCO 2230a_100000168517_100009893172 [0,1,0,0,0,1|1,0,1]=4 3041 B12R0.272 CC(C)NC(=O)CN[C@H](C)CCO 2230a_100000706166_100000183996 [0,1,0,0,0,1|1,0,1]=4 3042 B12R0.272 CC(C)NC(=O)CN[C@H](C)CCO 34a_100000706166_100000183996 [0,1,0,0,0,1|1,0,1]=4 3043 B12R0.272 CC(C)NC(=O)CSC(C)CCO 62a_100000183996_100009893172 [0,1,0,0,0,1|1,0,1]=4 3044 B12R0.272 CC(C)NC(=O)CSC(C)CCO 62a_100009893172_100000183996 [0,1,0,0,0,1|1,0,1]=4 3045 B12R0.272 CC(C)OC(=O)CCN(C)CCO 2230a_100000210263_100000760027 [0,1,0,0,0,1|1,0,1]=4 3046 B12R0.272 CC(C)OC(=O)CCN(C)CCO 269982a_100000210263_100000760027 [0,1,0,0,0,1|1,0,1]=4 3047 B12R0.272 CC(C)OC(=O)CN[C@H](C)CCO 2230a_100000706166_100011215430 [0,1,0,0,0,1|1,0,1]=4 3048 B12R0.272 CC(C)OC(=O)CN[C@H](C)CCO 34a_100000706166_100011215430 [0,1,0,0,0,1|1,0,1]=4 3049 B12R0.272 CC(C)OC(=O)CSC(C)CCO 62a_100009893172_100011215430 [0,1,0,0,0,1|1,0,1]=4 3050 B12R0.272 CC(C)OC(=O)CSC(C)CCO 62a_100011215430_100009893172 [0,1,0,0,0,1|1,0,1]=4 3051 B12R0.272 CC(CN[C@H](C)CCO)CN(C)C 2230a_100000706166_100015348159 [0,1,0,0,0,1|1,0,1]=4 3052 B12R0.272 CC(CSC(C)CCO)CN(C)C 62a_100009893172_100015348159 [0,1,0,0,0,1|1,0,1]=4 3053 B12R0.272 CC(CSC(C)CCO)CN(C)C 62a_100015348159_100009893172 [0,1,0,0,0,1|1,0,1]=4 3054 B12R0.272 CCCC(C)COC(C)C=C(C)C 34a_100000717055_100011216630 [0,1,0,0,0,1|1,0,0]=3 3055 B12R0.276 C#C/C(=C\COCC(C)CCC)/C 34a_100016990848_100011216630 [0,1,0,0,0,1|1,0,1]=4 3056 B12R0.276 CC(CCO)OCCC[C@@H](C)CN 34a_100160569302_100009893172 [0,1,0,0,0,1|0,0,2]=4 3057 B12R0.276 CCC(=O)NCCNC(C)CCO 34a_100132302217_100009893172 [0,1,0,0,0,1|2,0,0]=4 3058 B12R0.276 CCC(=O)NCCOC(C)CCO 34a_200000158885_100009893172 [0,1,0,0,0,1|2,0,0]=4 3059 B12R0.276 CCC(=O)NCCOC(C)CCO 7a_200000158885_100009893172 [0,1,0,0,0,1|2,0,0]=4 3060 B12R0.276 CCC(=O)OCCOC(C)CCO 7a_200000031056_100009893172 [0,1,0,0,0,1|2,0,0]=4 3061 B12R0.276 CCC(C)CCCOC(C)CCO 7a_100011216074_100009893172 [0,1,0,0,0,1|0,0,2]=4 3062 B12R0.276 CCN(C)CCCN[C@H](C)CCO 2230a_100000706166_100015186262 [0,1,0,0,0,1|1,0,1]=4 3063 B12R0.276 CCN(C)CCCSC(C)CCO 62a_100009893172_100015186262 [0,1,0,0,0,1|1,0,1]=4 3064 B12R0.276 CNC(=O)CCCNC(C)CCO 2230a_100000740002_100009893172 [0,1,0,0,0,1|1,0,1]=4 3065 B12R0.276 CNC(=O)CCCNC(C)CCO 34a_100000740002_100009893172 [0,1,0,0,0,1|1,0,1]=4 3066 B12R0.276 CNC(=O)CCCN[C@H](C)CCO 2230a_100000706166_100000741757 [0,1,0,0,0,1|1,0,1]=4 3067 B12R0.276 CNC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000741757 [0,1,0,0,0,1|1,0,1]=4 3068 B12R0.276 CNC(=O)CCCSC(C)CCO 62a_100000741757_100009893172 [0,1,0,0,0,1|1,0,1]=4 3069 B12R0.276 CNC(=O)CCCSC(C)CCO 62a_100009893172_100000741757 [0,1,0,0,0,1|1,0,1]=4 3070 B12R0.276 CNC(=O)NCCNC(C)CCO 34a_100015205895_100009893172 [0,1,0,0,0,1|2,0,0]=4 3071 B12R0.276 CNC(=O)OCCN[C@H](C)CCO 34a_100000706166_200011997002 [0,1,0,0,0,1|2,0,0]=4 3072 B12R0.276 CNC(=O)OCCSC(C)CCO 62a_100009893172_200011997002 [0,1,0,0,0,1|2,0,0]=4 3073 B12R0.276 CNC(=O)OCCSC(C)CCO 62a_200011997002_100009893172 [0,1,0,0,0,1|2,0,0]=4 3074 B12R0.276 COC(=O)/C=C/CN[C@H](C)CCO 2230a_100000706166_100000742655 [0,1,0,0,0,1|1,0,1]=4 3075 B12R0.276 COC(=O)/C=C/CN[C@H](C)CCO 34a_100000706166_100000742655 [0,1,0,0,0,1|1,0,1]=4 3076 B12R0.276 COC(=O)/C=C/CSC(C)CCO 62a_100000742655_100009893172 [0,1,0,0,0,1|1,0,1]=4 3077 B12R0.276 COC(=O)/C=C/CSC(C)CCO 62a_100009893172_100000742655 [0,1,0,0,0,1|1,0,1]=4 3078 B12R0.276 COC(=O)CCCN[C@H](C)CCO 2230a_100000706166_100011218270 [0,1,0,0,0,1|1,0,1]=4 3079 B12R0.276 COC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000742333 [0,1,0,0,0,1|1,0,1]=4 3080 B12R0.276 COC(=O)CCCSC(C)CCO 62a_100009893172_100011218270 [0,1,0,0,0,1|1,0,1]=4 3081 B12R0.276 COC(=O)CCCSC(C)CCO 62a_100011218270_100009893172 [0,1,0,0,0,1|1,0,1]=4 3082 B12R0.276 COC(=O)NCCOC(C)CCO 34a_100000757965_100009893172 [0,1,0,0,0,1|2,0,0]=4 3083 B12R0.276 COC(=O)OCCOC(C)CCO 34a_100010262106_100009893172 [0,1,0,0,0,1|2,0,0]=4 3084 B12R0.279 C=C(C)C(=O)OCCN(C)CCO 2230a_100000210263_100009816335 [0,1,0,0,0,1|1,0,1]=4 3085 B12R0.279 C=C(C)C(=O)OCCN(C)CCO 269982a_100000210263_100009816335 [0,1,0,0,0,1|1,0,1]=4 3086 B12R0.279 CC(=O)C(=O)COCC(C)CCN 34a_106354213184_100011261029 [0,1,0,0,0,1|2,0,0]=4 3087 B12R0.279 CC(CCN)COCC(=O)C(C)C 34a_106354213184_100000753385 [0,1,0,0,0,1|1,0,1]=4 3088 B12R0.279 CC(CCN)COCC(=O)N(C)C 34a_106354213184_100000692301 [0,1,0,0,0,1|2,0,0]=4 3089 B12R0.279 CC(CCO)NCCC(=O)N(C)C 2230a_100000738053_100009893172 [0,1,0,0,0,1|1,0,0]=3 3090 B12R0.279 CC(CCO)OCCC(=C(F)F)F 34a_100000068906_100009893172 [0,1,0,0,0,1|2,0,0]=4 3091 B12R0.279 CC(CCO)OCCC(=O)N(C)C 34a_200000747469_100009893172 [0,1,0,0,0,1|1,0,0]=3 3092 B12R0.279 CC(CCO)OCCC(N)C(C)C 34a_100161115045_100009893172 [0,1,0,0,0,1|0,0,2]=4 3093 B12R0.279 CC(CCO)SCCC(=C(F)F)F 62a_100009813398_100009893172 [0,1,0,0,0,1|2,0,0]=4 3094 B12R0.279 CC(CCO)SCCC(=C(F)F)F 62a_100009893172_100009813398 [0,1,0,0,0,1|2,0,0]=4 3095 B12R0.279 CC(CCO)SCCC(=O)N(C)C 62a_100000737620_100009893172 [0,1,0,0,0,1|1,0,0]=3 3096 B12R0.279 CC(CCO)SCCC(=O)N(C)C 62a_100009893172_100000737620 [0,1,0,0,0,1|1,0,0]=3 3097 B12R0.279 CC(CCO)SCOC(=O)C(C)C 62a_100000139345_100009893172 [0,1,0,0,0,1|1,0,1]=4 3098 B12R0.279 CC(CCO)SCOC(=O)C(C)C 62a_100009893172_100000139345 [0,1,0,0,0,1|1,0,1]=4 3099 B12R0.279 CCCC(C)CNCC(=O)N(C)C 2230a_100015183351_100011216630 [0,1,0,0,0,1|2,0,0]=4 3100 B12R0.279 CCCC(C)CNCC(=O)N(C)C 270004a_100015183351_100000243154 [0,1,0,0,0,1|2,0,0]=4 3101 B12R0.279 CCCC(C)COCC(=O)C(=O)C 34a_100000688023_100011261029 [0,1,0,0,0,1|2,0,0]=4 3102 B12R0.279 CCCC(C)COCC(=O)C(C)C 34a_100000688023_100000753385 [0,1,0,0,0,1|1,0,1]=4 3103 B12R0.279 CCCC(C)COCC(=O)C(C)C 7a_100000688023_100000753385 [0,1,0,0,0,1|1,0,1]=4 3104 B12R0.279 CCCC(C)COCC(=O)N(C)C 34a_100000688023_100000692301 [0,1,0,0,0,1|2,0,0]=4 3105 B12R0.279 CCCC(C)COCC(=O)N(C)C 7a_100000688023_100000692301 [0,1,0,0,0,1|2,0,0]=4 3106 B12R0.279 CCCC(C)CSCC(=O)C(=O)C 62a_100011216630_100011261029 [0,1,0,0,0,1|2,0,0]=4 3107 B12R0.279 CCCC(C)CSCC(=O)C(=O)C 62a_100011261029_100011216630 [0,1,0,0,0,1|2,0,0]=4 3108 B12R0.279 CCCC(C)CSCC(=O)C(C)C 62a_100000753385_100011216630 [0,1,0,0,0,1|1,0,1]=4 3109 B12R0.279 CCCC(C)CSCC(=O)C(C)C 62a_100011216630_100000753385 [0,1,0,0,0,1|1,0,1]=4 3110 B12R0.279 CCCC(C)CSCC(=O)N(C)C 62a_100000692301_100011216630 [0,1,0,0,0,1|2,0,0]=4 3111 B12R0.279 CCCC(C)CSCC(=O)N(C)C 62a_100011216630_100000692301 [0,1,0,0,0,1|2,0,0]=4 3112 B12R0.279 CCCC(C)NCCC(=O)N(C)C 2230a_100000738053_100000766640 [0,1,0,0,0,1|2,0,0]=4 3113 B12R0.279 CCCC(C)NCCC(=O)N(C)C 2230a_100000741246_100000737620 [0,1,0,0,0,1|2,0,0]=4 3114 B12R0.279 CCCC(C)NCCC(=O)N(C)C 270004a_100000738053_100000211909 [0,1,0,0,0,1|2,0,0]=4 3115 B12R0.279 CCCC(C)OCCC(=O)N(C)C 34a_200000747469_100000766640 [0,1,0,0,0,1|2,0,0]=4 3116 B12R0.279 CCCC(C)OCCC(=O)N(C)C 7a_100000764384_100000737620 [0,1,0,0,0,1|2,0,0]=4 3117 B12R0.279 CCCC(C)SCCC(=O)N(C)C 62a_100000737620_100000766640 [0,1,0,0,0,1|2,0,0]=4 3118 B12R0.279 CCCC(C)SCCC(=O)N(C)C 62a_100000766640_100000737620 [0,1,0,0,0,1|2,0,0]=4 3119 B12R0.279 CN(CCO)CCCC(=O)N(C)C 2230a_100000210263_100000737642 [0,1,0,0,0,1|2,0,0]=4 3120 B12R0.279 CN(CCO)CCCC(=O)N(C)C 269982a_100000210263_100000737642 [0,1,0,0,0,1|2,0,0]=4 3121 B12R0.279 C[C@H](CCO)NCCC(=C(F)F)F 2230a_100000706166_100000036642 [0,1,0,0,0,1|2,0,0]=4 3122 B12R0.279 C[C@H](CCO)NCCC(=C(F)F)F 34a_100000706166_100009813398 [0,1,0,0,0,1|2,0,0]=4 3123 B12R0.279 C[C@H](CCO)NCCC(=O)N(C)C 2230a_100000706166_100000737620 [0,1,0,0,0,1|1,0,0]=3 3124 B12R0.283 C=C(C)CCC(C)N[C@H](C)CCO 270004a_100000706166_100011215600 [0,1,0,0,0,1|0,0,2]=4 3125 B12R0.283 CC(=CCC(=O)N[C@H](C)CCO)C 240690a_100000706166_100011220947 [0,1,0,0,0,1|0,0,1]=3 3126 B12R0.283 CC(=CCC(=O)N[C@H](C)CCO)C 527a_100000706166_100011220947 [0,1,0,0,0,1|0,0,1]=3 3127 B12R0.283 CC(=O)OCC(C)N[C@H](C)CCO 270004a_100000706166_100000000629 [0,1,0,0,0,1|2,0,0]=4 3128 B12R0.283 CC(C)CCC(C)NC(C)CCO 2230a_100138410893_100009893172 [0,1,0,0,0,1|0,0,2]=4 3129 B12R0.283 CC(C)CCC(C)N[C@H](C)CCO 2230a_100000706166_100011261404 [0,1,0,0,0,1|0,0,2]=4 3130 B12R0.283 CC(C)CCC(C)N[C@H](C)CCO 270004a_100000706166_100000210476 [0,1,0,0,0,1|0,0,2]=4 3131 B12R0.283 CC(C)CCC(C)N[C@H](C)CCO 34a_100000706166_100011261404 [0,1,0,0,0,1|0,0,2]=4 3132 B12R0.283 CC(C)CCC(C)OC(C)CCO 34a_100011215350_100009893172 [0,1,0,0,0,1|0,0,2]=4 3133 B12R0.283 CC(C)CCC(C)OC(C)CCO 7a_100011215350_100009893172 [0,1,0,0,0,1|0,0,2]=4 3134 B12R0.283 CC(C)CCC(C)SC(C)CCO 62a_100009893172_100011261404 [0,1,0,0,0,1|0,0,2]=4 3135 B12R0.283 CC(C)CCC(C)SC(C)CCO 62a_100011261404_100009893172 [0,1,0,0,0,1|0,0,2]=4 3136 B12R0.283 CCCC(C)CC(=O)CC=C(C)C 1458a_100000748435_100000761012 [0,1,0,0,0,1|1,0,0]=3 3137 B12R0.283 CCCC(C)CC(=O)CC=C(C)C 1458a_100011220947_100011216630 [0,1,0,0,0,1|1,0,0]=3 3138 B12R0.283 CCCC(C)NC(=O)CC=C(C)C 11a_100000741246_100011220947 [0,1,0,0,0,1|1,0,1]=4 3139 B12R0.283 CCCC(C)NC(=O)CC=C(C)C 1626a_100000741246_100011220947 [0,1,0,0,0,1|1,0,1]=4 3140 B12R0.283 CCCC(C)NC(=O)CC=C(C)C 240690a_100000741246_100011220947 [0,1,0,0,0,1|1,0,1]=4 3141 B12R0.283 CCCC(C)NC(=O)CC=C(C)C 527a_100000741246_100011220947 [0,1,0,0,0,1|1,0,1]=4 3142 B12R0.283 CCSC(C)CC(=O)CC=C(C)C 1458a_200011311441_100000761012 [0,1,0,0,0,1|2,0,0]=4 3143 B12R0.2 CCCCC(C)OC(C)C=C(C)C 34a_100000717055_200011215066 [0,2,0,0,0,0|2,0,0]=4 3144 B12R0.3 CC(=CC(C)OC(C)CC(C)C)C 34a_100000717055_100000731052 [0,2,0,0,0,0|2,0,0]=4 3145 B12R0.20 CC(C)C(=O)C(C)N[C@H](C)CCO 2230a_100000706166_100009893295 [0,2,0,0,0,0|1,0,1]=4 3146 B12R0.20 CC(CCO)N[C@@H](C)C(=O)N(C)C 2230a_100000697320_100009893172 [0,2,0,0,0,0|2,0,0]=4 3147 B12R0.20 CC(CCO)N[C@@H](C)C(=O)N(C)C 34a_100000697320_100009893172 [0,2,0,0,0,0|2,0,0]=4 3148 B12R0.20 CC(CCO)SC(C)C(=O)C(C)C 62a_100009893172_100009893295 [0,2,0,0,0,0|1,0,1]=4 3149 B12R0.20 CC(CCO)SC(C)C(=O)C(C)C 62a_100009893295_100009893172 [0,2,0,0,0,0|1,0,1]=4 3150 B12R0.20 CC(CCO)SC(C)C(=O)N(C)C 62a_100000209910_100009893172 [0,2,0,0,0,0|2,0,0]=4 3151 B12R0.20 CC(CCO)SC(C)C(=O)N(C)C 62a_100009893172_100000209910 [0,2,0,0,0,0|2,0,0]=4 3152 B12R0.20 CC(N[C@H](C)CCO)C(=O)N(C)C 2230a_100000706166_100000209910 [0,2,0,0,0,0|2,0,0]=4 3153 B12R0.68 CCC(=CC(=O)N[C@H](C)CCO)C 240690a_100000706166_100020758463 [0,2,0,0,0,0|1,0,1]=4 3154 B12R0.68 CCCC(C)CC(=O)C=C(C)CC 1458a_100020758463_100011216630 [0,2,0,0,0,0|1,0,1]=4 3155 B12R0.191 CC(=CC(=O)N(C)C(C)CCO)C 240690a_100000731037_100000211388 [0,2,0,0,0,0|1,0,1]=4 3156 B12R0.428 CC(=CC(=O)NC(C)(C)CCO)C 240690a_100000763138_100000211388 [0,2,0,0,0,0|1,0,1]=4 3157 B12R0.140 CC(=CCCC(=O)CC(C)(C)O)C 1458a_100000693243_100011217483 [0,2,0,0,0,0|1,0,1]=4 3158 B12R0.140 CC(=CCCC(C)OC(C)(C)C)C 34a_100102619829_100000210625 [0,2,0,0,0,0|2,0,0]=4 3159 B12R0.140 CC(=CCCC(C)OC(F)(F)F)C 34a_100102619829_200103152311 [0,2,0,0,0,0|2,0,0]=4 3160 B12R0.140 CC(=CCCC(C)OC(F)(F)F)C 7a_100102619829_200000243211 [0,2,0,0,0,0|2,0,0]=4 3161 B12R0.140 CC(=CCCN(C)CC(C)(C)C)C 2230a_100000742839_100011217483 [0,2,0,0,0,0|2,0,0]=4 3162 B12R0.140 CC(=CCCN(C)CC(C)(C)C)C 269982a_100000742839_100011217483 [0,2,0,0,0,0|2,0,0]=4 3163 B12R0.140 CC(=CCCN(C)CC(C)(C)O)C 2230a_100000755907_100011217483 [0,2,0,0,0,0|1,0,0]=3 3164 B12R0.140 CC(=CCCN(C)CC(C)(C)O)C 269982a_100000755907_100011217483 [0,2,0,0,0,0|1,0,0]=3 3165 B12R0.140 CC(=CCCN(C)CC(F)(F)F)C 2230a_100000738877_100011217483 [0,2,0,0,0,0|2,0,0]=4 3166 B12R0.140 CC(=CCNC(C)CC(F)(F)F)C 34a_100000718196_200000065471 [0,2,0,0,0,0|2,0,0]=4 3167 B12R0.140 CC(=CCN[C@@H](C)CC(C)(C)C)C 2230a_106358413534_100000761012 [0,2,0,0,0,0|2,0,0]=4 3168 B12R0.140 CC(=CCOC(C)CC(C)(C)C)C 7a_200011218616_100000761012 [0,2,0,0,0,0|2,0,0]=4 3169 B12R0.140 CC(=CCOC(C)CC(F)(F)F)C 34a_100000753907_200000065471 [0,2,0,0,0,0|2,0,0]=4 3170 B12R0.140 CC(=CCOC(C)CC(F)(F)F)C 34a_200011470763_100000761012 [0,2,0,0,0,0|2,0,0]=4 3171 B12R0.140 CC(=CCOC(C)CC(F)(F)F)C 7a_200011470763_100000761012 [0,2,0,0,0,0|2,0,0]=4 3172 B12R0.140 CC(=CCSC(C)CC(F)(F)F)C 62a_100000761012_200000065471 [0,2,0,0,0,0|2,0,0]=4 3173 B12R0.140 CC(=CCSC(C)CC(F)(F)F)C 62a_200000065471_100000761012 [0,2,0,0,0,0|2,0,0]=4 3174 B12R0.240 C#CC(C)NC(C)CCC=C(C)C 270004a_100000707721_100000765506 [0,2,0,0,0,0|1,0,1]=4 3175 B12R0.240 C#CC(C)OC(C)CCC=C(C)C 34a_100102619829_200000035995 [0,2,0,0,0,0|1,0,1]=4 3176 B12R0.240 CC(=CCCC(C)CC(=O)CF)C 1458a_100000043202_100015361967 [0,2,0,0,0,0|1,0,0]=3 3177 B12R0.240 CC(=CCCC(C)N[C@H](C)CF)C 270004a_100102880703_100000765506 [0,2,0,0,0,0|1,0,0]=3 3178 B12R0.240 CC(=CCCC(C)N[C@H](C)CO)C 270004a_100000737577_100000765506 [0,2,0,0,0,0|0,0,0]=2 3179 B12R0.240 CC(=CCCC(C)OC(C)C#N)C 7a_100102619829_100000703298 [0,2,0,0,0,0|1,0,1]=4 3180 B12R0.240 CC(=CCCC(C)OC(C)CO)C 34a_100102619829_100012180447 [0,2,0,0,0,0|0,0,0]=2 3181 B12R0.240 CC(=CCCC(C)OC(C)CO)C 7a_100102619829_100012180447 [0,2,0,0,0,0|0,0,0]=2 3182 B12R0.240 CC(=CCCN(C)CC(O)CO)C 2230a_100011216503_100011217483 [0,2,0,0,0,0|1,0,0]=3 3183 B12R0.240 CC(=CCCN(C)CC(O)CO)C 269982a_100011216503_100011217483 [0,2,0,0,0,0|1,0,0]=3 3184 B12R0.240 CC(C)CCCC(C)NC(C)CO 2230a_100000210607_100012180447 [0,2,0,0,0,0|0,0,2]=4 3185 B12R0.240 CC(C)CCCC(C)N[C@H](C)CO 270004a_100000737577_100000753411 [0,2,0,0,0,0|0,0,2]=4 3186 B12R0.240 CC(C)CCCC(C)OC(C)CO 34a_200011218570_100012180447 [0,2,0,0,0,0|0,0,2]=4 3187 B12R0.240 CC(C)CCCC(C)OC(C)CO 7a_200011218570_100012180447 [0,2,0,0,0,0|0,0,2]=4 3188 B12R0.240 CC(CCOC(C)C)N[C@H](C)CO 270004a_100000737577_200011219172 [0,2,0,0,0,0|1,0,1]=4 3189 B12R0.240 CCC(=O)CC(C)CCC=C(C)C 1458a_100000043202_100000210202 [0,2,0,0,0,0|1,0,0]=3 3190 B12R0.240 CCC(C)CC(C)NCC=C(C)C 2230a_100000763565_100000761012 [0,2,0,0,0,0|2,0,0]=4 3191 B12R0.240 CCC(C)CC(C)NCC=C(C)C 270004a_100000718196_100011710205 [0,2,0,0,0,0|2,0,0]=4 3192 B12R0.240 CCC(C)CN(C)CCC=C(C)C 2230a_100000753921_100011217483 [0,2,0,0,0,0|2,0,0]=4 3193 B12R0.240 CCC(C)CN(C)CCC=C(C)C 269982a_100000753921_100011217483 [0,2,0,0,0,0|2,0,0]=4 3194 B12R0.240 CCC(C)NC(C)CCC=C(C)C 270004a_100000209981_100000765506 [0,2,0,0,0,0|1,0,0]=3 3195 B12R0.240 CCC(C)OC(C)CCC=C(C)C 34a_100102619829_100011215416 [0,2,0,0,0,0|1,0,0]=3 3196 B12R0.240 CCC(C)OC(C)CCC=C(C)C 7a_100102619829_100000758301 [0,2,0,0,0,0|1,0,0]=3 3197 B12R0.240 CCC(O)CC(=O)CCC=C(C)C 1458a_100011667805_100011217483 [0,2,0,0,0,0|1,0,1]=4 3198 B12R0.240 CNC(=O)CC(C)CCC=C(C)C 11a_106832991635_100000043202 [0,2,0,0,0,0|0,0,2]=4 3199 B12R0.240 CNC(=O)CC(C)CCC=C(C)C 1626a_100102657272_100000043202 [0,2,0,0,0,0|0,0,2]=4 3200 B12R0.240 CNC(=O)CC(C)CCC=C(C)C 240690a_100102657272_100000043202 [0,2,0,0,0,0|0,0,2]=4 3201 B12R0.240 CNC(=O)CC(C)CCC=C(C)C 527a_100102657272_100000043202 [0,2,0,0,0,0|0,0,2]=4 3202 B12R0.240 COC(=O)CC(C)NCC=C(C)C 34a_100000718196_100009817358 [0,2,0,0,0,0|1,0,1]=4 3203 B12R0.240 COC(=O)CC(C)OCC=C(C)C 34a_100000753907_100009817358 [0,2,0,0,0,0|1,0,1]=4 3204 B12R0.240 COC(=O)CC(C)SCC=C(C)C 62a_100000761012_100009817358 [0,2,0,0,0,0|1,0,1]=4 3205 B12R0.240 COC(=O)CC(C)SCC=C(C)C 62a_100009817358_100000761012 [0,2,0,0,0,0|1,0,1]=4 3206 B12R0.240 COC(=O)CN(C)CCC=C(C)C 2230a_100000198492_100011217483 [0,2,0,0,0,0|1,0,1]=4 3207 B12R0.258 CC(=CCC(=O)C(C)CC(C)C)C 1458a_100011220947_100000731052 [0,2,0,0,0,0|1,0,1]=4 3208 B12R0.258 CC(=CCC(=O)N(C)CC(C)O)C 240690a_100000227577_100011220947 [0,2,0,0,0,0|1,0,1]=4 3209 B12R0.258 CC(=CCC(=O)N(C)CC(C)O)C 527a_100000227577_100011220947 [0,2,0,0,0,0|1,0,1]=4 3210 B12R0.258 CC(=CCN(C)C(C)CC(C)C)C 2230a_100000745462_100000761012 [0,2,0,0,0,0|2,0,0]=4 3211 B12R0.258 CC(=CCN(C)C(C)CC(C)C)C 269982a_100000745462_100000761012 [0,2,0,0,0,0|2,0,0]=4 3212 B12R0.535 CC(=CCN[C@H](CO)CC(=O)O)C 269956a_100009816507_100000761012 [0,2,0,0,0,0|1,0,1]=4 3213 B12R0.535 CC(=CCN[C@H](CO)CC(C)C)C 2230a_100011830311_100000761012 [0,2,0,0,0,0|2,0,0]=4 3214 B12R0.535 CC(=CCN[C@H](CO)CC(C)C)C 34a_100011830311_100000761012 [0,2,0,0,0,0|2,0,0]=4 3215 B12R0.535 CCN(CCC=C(C)C)CC(=O)O 269956a_100000746405_100011217483 [0,2,0,0,0,0|1,0,1]=4 3216 B12R0.535 CCN(CCC=C(C)C)CC(C)C 2230a_100000738554_100011217483 [0,2,0,0,0,0|2,0,0]=4 3217 B12R0.535 CCN(CCC=C(C)C)CC(C)C 269982a_100000738554_100011217483 [0,2,0,0,0,0|2,0,0]=4 3218 B12R0.535 CCN(CCC=C(C)C)C[C@H](C)O 2230a_100000729506_100011217483 [0,2,0,0,0,0|1,0,0]=3 3219 B12R0.535 CCN(CCC=C(C)C)C[C@H](C)O 269982a_100000729506_100011217483 [0,2,0,0,0,0|1,0,0]=3 3220 B12R0.535 CC[C@H](CC(=O)O)NCC=C(C)C 269956a_100016995926_100000761012 [0,2,0,0,0,0|1,0,1]=4 3221 B12R0.686 CC(=CCCC(C)N(C)C(C)C)C 270004a_200000211004_100000765506 [0,2,0,0,0,0|2,0,0]=4 3222 B12R0.686 CC(=CCCN(C)C(C)C(=O)O)C 269956a_100000749554_100011217483 [0,2,0,0,0,0|1,0,1]=4 3223 B12R0.686 CC(=CCCN(C)C(C)C(C)C)C 2230a_100000228512_100011217483 [0,2,0,0,0,0|2,0,0]=4 3224 B12R0.686 CC(=CCCN(C)C(C)C(C)C)C 269982a_100000228512_100011217483 [0,2,0,0,0,0|2,0,0]=4 3225 B12R0.687 CC(O)CN(C)CCC(=O)N(C)C 2230a_100000227577_100000737620 [0,2,0,0,0,0|2,0,0]=4 3226 B12R0.687 CC(O)CN(C)CCC(=O)N(C)C 269982a_100000227577_100000737620 [0,2,0,0,0,0|2,0,0]=4 3227 B12R0.697 CC(=CCNC(C)(C)CC(=O)O)C 269956a_100000755897_100000761012 [0,2,0,0,0,0|1,0,1]=4 3228 B12R0.697 CC(=CCNC(C)(C)CC(C)C)C 2230a_100011346068_100000761012 [0,2,0,0,0,0|2,0,0]=4 3229 B12R0.30 CCCC(CC)C(=O)CC=C(C)C 1458a_100011220947_100011219200 [0,2,0,0,0,0|1,0,1]=4 3230 B12R0.30 CCCC(CC)C(=O)CC=C(C)C 1458a_100011416436_100000761012 [0,2,0,0,0,0|1,0,1]=4 3231 B12R0.30 CCN(CCO)C(=O)CC=C(C)C 240690a_100000210973_100011220947 [0,2,0,0,0,0|1,0,1]=4 3232 B12R0.30 CCN(CCO)C(=O)CC=C(C)C 527a_100000210973_100011220947 [0,2,0,0,0,0|1,0,1]=4 3233 B12R0.164 C/C=C/C(CCC)OCC=C(C)C 34a_200016264281_100000761012 [0,2,0,0,0,0|2,0,0]=4 3234 B12R0.164 C/C=C/C(CCC)OCC=C(C)C 7a_200016264281_100000761012 [0,2,0,0,0,0|2,0,0]=4 3235 B12R0.164 C=CCC(CCC)OCC=C(C)C 34a_100011215139_100000761012 [0,2,0,0,0,0|2,0,0]=4 3236 B12R0.164 C=CCC(CCC)OCC=C(C)C 7a_100011215139_100000761012 [0,2,0,0,0,0|2,0,0]=4 3237 B12R0.164 CC(=CCCN(CCO)CCO)C 2230a_100000210587_100011217483 [0,2,0,0,0,0|1,0,0]=3 3238 B12R0.164 CC(=CCCN(CCO)CCO)C 269982a_100000210587_100011217483 [0,2,0,0,0,0|1,0,0]=3 3239 B12R0.164 CCCC(CCC)NCC=C(C)C 2230a_100011207992_100000761012 [0,2,0,0,0,0|2,0,0]=4 3240 B12R0.164 CCCC(CCC)NCC=C(C)C 270004a_100000718196_100000210088 [0,2,0,0,0,0|2,0,0]=4 3241 B12R0.164 CCCC(CCC)NCC=C(C)C 34a_100000718196_200011218217 [0,2,0,0,0,0|2,0,0]=4 3242 B12R0.164 CCCC(CCC)NCC=C(C)C 34a_100011207992_100000761012 [0,2,0,0,0,0|2,0,0]=4 3243 B12R0.164 CCCC(CCC)OCC=C(C)C 34a_100000753907_200011218217 [0,2,0,0,0,0|2,0,0]=4 3244 B12R0.164 CCCC(CCC)OCC=C(C)C 34a_200011218534_100000761012 [0,2,0,0,0,0|2,0,0]=4 3245 B12R0.164 CCCC(CCC)OCC=C(C)C 7a_200011218534_100000761012 [0,2,0,0,0,0|2,0,0]=4 3246 B12R0.164 CCCC(CCC)SCC=C(C)C 62a_100000761012_200011218217 [0,2,0,0,0,0|2,0,0]=4 3247 B12R0.164 CCCC(CCC)SCC=C(C)C 62a_200011218217_100000761012 [0,2,0,0,0,0|2,0,0]=4 3248 B12R0.164 CCCN(CCC)CCC=C(C)C 2230a_100000210455_100011217483 [0,2,0,0,0,0|2,0,0]=4 3249 B12R0.164 CCCN(CCC)CCC=C(C)C 269982a_100000210455_100011217483 [0,2,0,0,0,0|2,0,0]=4 3250 B12R0.164 CCCN(CCO)CCC=C(C)C 2230a_100000211420_100011217483 [0,2,0,0,0,0|1,0,0]=3 3251 B12R0.164 CCCN(CCO)CCC=C(C)C 269982a_100000211420_100011217483 [0,2,0,0,0,0|1,0,0]=3 3252 B12R0.164 CCC[C@@H](CCO)NCC=C(C)C 2230a_100015193777_100000761012 [0,2,0,0,0,0|1,0,0]=3 3253 B12R0.164 CCC[C@@H](CCO)NCC=C(C)C 34a_100015193777_100000761012 [0,2,0,0,0,0|1,0,0]=3 3254 B12R0.188 CCC(C)N(CC)CCC=C(C)C 2230a_100000732650_100011217483 [0,2,0,0,0,0|2,0,0]=4 3255 B12R0.188 CCC(C)N(CC)CCC=C(C)C 269982a_100000732650_100011217483 [0,2,0,0,0,0|2,0,0]=4 3256 B12R0.188 CCN(CCC=C(C)C)C(C)CO 2230a_100000731049_100011217483 [0,2,0,0,0,0|1,0,0]=3 3257 B12R0.188 CCN(CCC=C(C)C)C(C)CO 269982a_100000731049_100011217483 [0,2,0,0,0,0|1,0,0]=3 3258 B12R0.188 CC[C@H](C)[C@@H](CO)NCC=C(C)C 2230a_100011827617_100000761012 [0,2,0,0,0,0|2,0,0]=4 3259 B12R0.254 CCCCC(CC)NCC=C(C)C 270004a_100000718196_100000753412 [0,2,0,0,0,0|2,0,0]=4 3260 B12R0.254 CCCCC(CC)NCC=C(C)C 34a_100000718196_200011216223 [0,2,0,0,0,0|2,0,0]=4 3261 B12R0.254 CCCCC(CC)OCC=C(C)C 34a_100000753907_200011216223 [0,2,0,0,0,0|2,0,0]=4 3262 B12R0.254 CCCCC(CC)OCC=C(C)C 34a_100011215227_100000761012 [0,2,0,0,0,0|2,0,0]=4 3263 B12R0.254 CCCCC(CC)OCC=C(C)C 7a_100011215227_100000761012 [0,2,0,0,0,0|2,0,0]=4 3264 B12R0.254 CCCCC(CC)SCC=C(C)C 62a_100000761012_200011216223 [0,2,0,0,0,0|2,0,0]=4 3265 B12R0.254 CCCCC(CC)SCC=C(C)C 62a_200011216223_100000761012 [0,2,0,0,0,0|2,0,0]=4 3266 B12R0.254 CCCCN(CC)CCC=C(C)C 2230a_100000207695_100011217483 [0,2,0,0,0,0|2,0,0]=4 3267 B12R0.254 CCCCN(CC)CCC=C(C)C 269982a_100000207695_100011217483 [0,2,0,0,0,0|2,0,0]=4 3268 B12R0.254 CCCC[C@@H](CO)NCC=C(C)C 2230a_100011934283_100000761012 [0,2,0,0,0,0|2,0,0]=4 3269 B12R0.254 CCCC[C@@H](CO)NCC=C(C)C 34a_100011934283_100000761012 [0,2,0,0,0,0|2,0,0]=4 3270 B12R0.254 CCN(CCC#N)CCC=C(C)C 2230a_100000226048_100011217483 [0,2,0,0,0,0|2,0,0]=4 3271 B12R0.254 CCN(CCC=C(C)C)CCOC 2230a_100000731262_100011217483 [0,2,0,0,0,0|1,0,0]=3 3272 B12R0.254 CCN(CCC=C(C)C)CCOC 269982a_100000731262_100011217483 [0,2,0,0,0,0|1,0,0]=3 3273 B12R0.254 CCOCC(CN)OCC=C(C)C 34a_102515437182_100000761012 [0,2,0,0,0,0|2,0,0]=4 3274 B12R0.254 CSCC[C@@H](CO)NCC=C(C)C 2230a_100011827619_100000761012 [0,2,0,0,0,0|1,1,0]=4 3275 B12R0.282 C#CC(C)(CCC=C(C)C)OCC 34a_100102524899_100000210202 [0,2,0,0,0,0|2,0,0]=4 3276 B12R0.282 C#CC(C)(CCC=C(C)C)OCC 7a_100102524899_100000210202 [0,2,0,0,0,0|2,0,0]=4 3277 B12R0.282 C#CC(C)(CCC=C(C)C)OCF 34a_100102524899_100015361967 [0,2,0,0,0,0|2,0,0]=4 3278 B12R0.282 C#CC(C)(CCC=C(C)C)OCF 7a_100102524899_100015361967 [0,2,0,0,0,0|2,0,0]=4 3279 B12R0.282 C=CC(C)(CCC=C(C)C)OCC 34a_100000033386_100000210202 [0,2,0,0,0,0|2,0,0]=4 3280 B12R0.282 C=CC(C)(CCC=C(C)C)OCC 7a_100000033386_100000210202 [0,2,0,0,0,0|2,0,0]=4 3281 B12R0.282 C=CC(C)(CCC=C(C)C)OCF 34a_100000033386_100015361967 [0,2,0,0,0,0|2,0,0]=4 3282 B12R0.282 C=CC(C)(CCC=C(C)C)OCF 7a_100000033386_100015361967 [0,2,0,0,0,0|2,0,0]=4 3283 B12R0.282 CCC(C)(CCC=C(C)C)OCF 7a_100000035081_100015361967 [0,2,0,0,0,0|2,0,0]=4 3284 B12R0.282 CCCC(C)(CC)OCC=C(C)C 7a_200011215934_100000761012 [0,2,0,0,0,0|2,0,0]=4 3285 B12R0.282 CCCC(C)(CC)SCC=C(C)C 62a_100000761012_200000040151 [0,2,0,0,0,0|2,0,0]=4 3286 B12R0.282 CCCC(C)(CC)SCC=C(C)C 62a_200000040151_100000761012 [0,2,0,0,0,0|2,0,0]=4 3287 B12R0.282 CCOC(C)(CC)CCC=C(C)C 7a_100000035081_100000210202 [0,2,0,0,0,0|2,0,0]=4 3288 B12R0.299 CCN(CCO)CCC(=O)N(C)C 2230a_100000210973_100000737620 [0,2,0,0,0,0|2,0,0]=4 3289 B12R0.299 CCN(CCO)CCC(=O)N(C)C 269982a_100000210973_100000737620 [0,2,0,0,0,0|2,0,0]=4 3290 B12R0.397 CC(=CCCN(CCO)C(C)C)C 2230a_100000224655_100011217483 [0,2,0,0,0,0|1,0,0]=3 3291 B12R0.397 CC(=CCCN(CCO)C(C)C)C 269982a_100000224655_100011217483 [0,2,0,0,0,0|1,0,0]=3 3292 B12R0.397 CC(=CCNC(CCO)C(C)C)C 2230a_100161115045_100000761012 [0,2,0,0,0,0|1,0,0]=3 3293 B12R0.397 CC(=CCNC(CCO)C(C)C)C 34a_100161115045_100000761012 [0,2,0,0,0,0|1,0,0]=3 3294 B12R0.397 CCCC(OCC=C(C)C)C(C)C 34a_200011215069_100000761012 [0,2,0,0,0,0|2,0,0]=4 3295 B12R0.397 CCCC(OCC=C(C)C)C(C)C 7a_200011215069_100000761012 [0,2,0,0,0,0|2,0,0]=4 3296 B12R0.397 CCCN(CCC=C(C)C)C(C)C 2230a_106256033942_100011217483 [0,2,0,0,0,0|2,0,0]=4 3297 B12R0.397 CCCN(CCC=C(C)C)C(C)C 269982a_106256033942_100011217483 [0,2,0,0,0,0|2,0,0]=4 3298 B12R0.76 CC(=O)C(=O)CN(C)C(C)CCO 269982a_100000731037_100011261029 [0,2,0,0,0,0|2,0,0]=4 3299 B12R0.76 CC(C)C(=O)CN(C)C(C)CCO 2230a_100000731037_100000753385 [0,2,0,0,0,0|1,0,1]=4 3300 B12R0.76 CC(C)C(=O)CN(C)C(C)CCO 269982a_100000731037_100000753385 [0,2,0,0,0,0|1,0,1]=4 3301 B12R0.76 CC(CCO)N(C)CC(=O)N(C)C 2230a_100000185065_100009893172 [0,2,0,0,0,0|2,0,0]=4 3302 B12R0.76 CC(CCO)N(C)CC(=O)N(C)C 2230a_100000731037_100000185267 [0,2,0,0,0,0|2,0,0]=4 3303 B12R0.76 CC(CCO)N(C)CC(=O)N(C)C 269982a_100000731037_100000185267 [0,2,0,0,0,0|2,0,0]=4 3304 B12R0.77 CCN(CC=C(C)C)C(C)CCO 2230a_100011935059_100000761012 [0,2,0,0,0,0|1,0,0]=3 3305 B12R0.77 CCN(CC=C(C)C)C(C)CCO 269982a_100011935059_100000761012 [0,2,0,0,0,0|1,0,0]=3 3306 B12R0.88 CC(=CCC(=O)N(C)C(C)CO)C 240690a_100000693034_100011220947 [0,2,0,0,0,0|1,0,1]=4 3307 B12R0.88 CC(=CCC(=O)N(C)C(C)CO)C 527a_100000693034_100011220947 [0,2,0,0,0,0|1,0,1]=4 3308 B12R0.88 CC(=CCC(=O)[C@H](O)[C@H](O)CO)C 1458a_100015448053_100000761012 [0,2,0,0,0,0|1,0,1]=4 3309 B12R0.98 CC(=CCC(=O)N(C)CCCO)C 240690a_100000213112_100011220947 [0,2,0,0,0,0|1,0,1]=4 3310 B12R0.98 CC(=CCC(=O)N(C)CCCO)C 527a_100000213112_100011220947 [0,2,0,0,0,0|1,0,1]=4 3311 B12R0.98 CCCCC(C)C(=O)CC=C(C)C 1458a_100000725509_100000761012 [0,2,0,0,0,0|1,0,1]=4 3312 B12R0.98 CCCCC(C)C(=O)CC=C(C)C 1458a_100011220947_200011215066 [0,2,0,0,0,0|1,0,1]=4 3313 B12R0.98 COCCN(C)C(=O)CC=C(C)C 11a_100000743101_100011220947 [0,2,0,0,0,0|1,0,1]=4 3314 B12R0.98 COCCN(C)C(=O)CC=C(C)C 1626a_100000743101_100011220947 [0,2,0,0,0,0|1,0,1]=4 3315 B12R0.98 COCCN(C)C(=O)CC=C(C)C 240690a_100000743101_100011220947 [0,2,0,0,0,0|1,0,1]=4 3316 B12R0.98 COCCN(C)C(=O)CC=C(C)C 527a_100000743101_100011220947 [0,2,0,0,0,0|1,0,1]=4 3317 B12R0.174 CCCC(C)(C)C(=O)CC=C(C)C 1458a_100011215034_100000761012 [0,2,0,0,0,0|1,0,1]=4 3318 B12R0.193 CC=C(C)C=CC(=O)C(C)CCO 1458a_100000692105_100009893172 [0,2,0,0,0,0|0,0,2]=4 3319 B12R0.331 CC(=CCOC(C)(C)CCCBr)C 7a_100009888830_100000761012 [0,2,0,0,0,0|2,0,0]=4 3320 B12R0.331 CC(C)CCCC(C)(C)OCCO 7a_100011215742_100000211926 [0,2,0,0,0,0|0,0,2]=4 3321 B12R0.331 CCCCC(C)(C)OCC=C(C)C 7a_100011219641_100000761012 [0,2,0,0,0,0|2,0,0]=4 3322 B12R0.16 CC(CCO)OCC(=O)C(C)(C)C 34a_200011592769_100009893172 [0,2,0,0,0,0|1,0,1]=4 3323 B12R0.16 CC(CCO)OCC(=O)C(C)(C)C 7a_200011592769_100009893172 [0,2,0,0,0,0|1,0,1]=4 3324 B12R0.16 CC(CCO)SCC(=O)C(C)(C)C 62a_100000210923_100009893172 [0,2,0,0,0,0|1,0,1]=4 3325 B12R0.16 CC(CCO)SCC(=O)C(C)(C)C 62a_100009893172_100000210923 [0,2,0,0,0,0|1,0,1]=4 3326 B12R0.16 C[C@H](CCO)NCC(=O)C(C)(C)C 34a_100000706166_100000229897 [0,2,0,0,0,0|1,0,1]=4 3327 B12R0.48 C=C(C)C(=O)NCC(C)OCCO 34a_100000065599_100000211926 [0,2,0,0,0,0|1,0,1]=4 3328 B12R0.48 C=C(C)C(=O)OCC(C)OCCO 7a_100000061822_100000211926 [0,2,0,0,0,0|1,0,1]=4 3329 B12R0.48 CC(C)C(=O)NC[C@H](C)CCCO 240690a_100160569302_100000210198 [0,2,0,0,0,0|1,0,1]=4 3330 B12R0.48 CC(C)C(=O)NC[C@H](C)CCCO 527a_100160569302_100000210198 [0,2,0,0,0,0|1,0,1]=4 3331 B12R0.48 CCCCC(C)CCC(=O)C(C)C 1458a_100000033779_100000210206 [0,2,0,0,0,0|1,0,1]=4 3332 B12R0.48 CCCCC(C)CCC(=O)N(C)C 11a_100102631434_100000033779 [0,2,0,0,0,0|2,0,0]=4 3333 B12R0.48 CCCCC(C)CCC(=O)N(C)C 1626a_100102631434_100000033779 [0,2,0,0,0,0|2,0,0]=4 3334 B12R0.48 CCCCC(C)CCC(=O)N(C)C 240690a_100102631434_100000033779 [0,2,0,0,0,0|2,0,0]=4 3335 B12R0.48 CCCCC(C)CCC(=O)N(C)C 527a_100102631434_100000033779 [0,2,0,0,0,0|2,0,0]=4 3336 B12R0.48 CN(CCCO)CCC(=O)N(C)C 2230a_100000213112_100000737620 [0,2,0,0,0,0|2,0,0]=4 3337 B12R0.48 CN(CCCO)CCC(=O)N(C)C 269982a_100000213112_100000737620 [0,2,0,0,0,0|2,0,0]=4 3338 B12R0.48 COCCC(C)NCC(=O)N(C)C 270004a_100015183351_100000742357 [0,2,0,0,0,0|2,0,0]=4 3339 B12R0.48 COCCN(C)CCC(=O)C(C)C 1458a_200103286627_100000210206 [0,2,0,0,0,0|1,0,1]=4 3340 B12R0.48 COCCN(C)CCC(=O)N(C)C 2230a_100000743101_100000737620 [0,2,0,0,0,0|2,0,0]=4 3341 B12R0.48 COCCN(C)CCC(=O)N(C)C 240690a_100102631434_200103286627 [0,2,0,0,0,0|2,0,0]=4 3342 B12R0.48 COCCN(C)CCC(=O)N(C)C 269982a_100000743101_100000737620 [0,2,0,0,0,0|2,0,0]=4 3343 B12R0.79 C=C(CN[C@H](C)CCO)C(=O)OC 34a_100000706166_100009813391 [0,2,0,0,0,0|2,0,0]=4 3344 B12R0.79 C=C(CSC(C)CCO)C(=O)OC 62a_100009813391_100009893172 [0,2,0,0,0,0|2,0,0]=4 3345 B12R0.79 C=C(CSC(C)CCO)C(=O)OC 62a_100009893172_100009813391 [0,2,0,0,0,0|2,0,0]=4 3346 B12R0.79 CCN(C)C(=O)CN[C@H](C)CCO 2230a_100000706166_100000738999 [0,2,0,0,0,0|2,0,0]=4 3347 B12R0.79 CCN(C)C(=O)CN[C@H](C)CCO 34a_100000706166_100000738999 [0,2,0,0,0,0|2,0,0]=4 3348 B12R0.79 CCN(C)C(=O)CSC(C)CCO 62a_100000738999_100009893172 [0,2,0,0,0,0|2,0,0]=4 3349 B12R0.79 CCN(C)C(=O)CSC(C)CCO 62a_100009893172_100000738999 [0,2,0,0,0,0|2,0,0]=4 3350 B12R0.79 COC(=O)C(=O)CN[C@H](C)CCO 34a_100000706166_100011610305 [0,2,0,0,0,0|2,0,0]=4 3351 B12R0.79 COC(=O)C(=O)CSC(C)CCO 62a_100009893172_100011610305 [0,2,0,0,0,0|2,0,0]=4 3352 B12R0.79 COC(=O)C(=O)CSC(C)CCO 62a_100011610305_100009893172 [0,2,0,0,0,0|2,0,0]=4 3353 B12R0.79 CON(C)C(=O)CNC(C)CCO 2230a_100015207273_100009893172 [0,2,0,0,0,0|2,0,0]=4 3354 B12R0.79 CON(C)C(=O)CN[C@H](C)CCO 2230a_100000706166_100000764215 [0,2,0,0,0,0|2,0,0]=4 3355 B12R0.79 CON(C)C(=O)CSC(C)CCO 62a_100000764215_100009893172 [0,2,0,0,0,0|2,0,0]=4 3356 B12R0.79 CON(C)C(=O)CSC(C)CCO 62a_100009893172_100000764215 [0,2,0,0,0,0|2,0,0]=4 3357 B12R0.236 CC(CO)N(C)CCC(=O)N(C)C 2230a_100000693034_100000737620 [0,2,0,0,0,0|2,0,0]=4 3358 B12R0.236 CC(CO)N(C)CCC(=O)N(C)C 269982a_100000693034_100000737620 [0,2,0,0,0,0|2,0,0]=4 3359 B12R0.349 CC(=CCCC(=O)C(C)(C)CO)C 1458a_100000749806_100011217483 [0,2,0,0,0,0|1,0,1]=4 3360 B12R0.349 CC(=CCCN(C)C(C)(C)CO)C 269982a_100015204102_100011217483 [0,2,0,0,0,0|1,0,0]=3 3361 B12R0.349 CCC(C)(C)N(C)CCC=C(C)C 2230a_200000755171_100011217483 [0,2,0,0,0,0|2,0,0]=4 3362 B12R0.349 CCC(C)(C)N(C)CCC=C(C)C 269982a_200000755171_100011217483 [0,2,0,0,0,0|2,0,0]=4 3363 B12R0.677 CCC(CC)C(C)NCC=C(C)C 270004a_100000718196_100011393642 [0,2,0,0,0,0|2,0,0]=4 3364 B12R0.677 CCC(CC)N(C)CCC=C(C)C 2230a_100000737045_100011217483 [0,2,0,0,0,0|2,0,0]=4 3365 B12R0.677 CCC(CC)N(C)CCC=C(C)C 269982a_100000737045_100011217483 [0,2,0,0,0,0|2,0,0]=4 3366 B12R0.677 CCN(CC)C(C)CCC=C(C)C 270004a_100000724800_100000765506 [0,2,0,0,0,0|2,0,0]=4 3367 B12R0.44 C=C(C)CCC(C)NCC=C(C)C 270004a_100000718196_100011215600 [0,2,0,0,0,0|2,0,0]=4 3368 B12R0.44 C=C(C)COC(C)CCC=C(C)C 34a_100102619829_100000748629 [0,2,0,0,0,0|1,0,1]=4 3369 B12R0.44 C=C(C)COC(C)CCC=C(C)C 7a_100102619829_100000748629 [0,2,0,0,0,0|1,0,1]=4 3370 B12R0.44 C=C(F)COC(C)CCC=C(C)C 34a_100102619829_100009893438 [0,2,0,0,0,0|1,0,1]=4 3371 B12R0.44 C=C(F)COC(C)CCC=C(C)C 7a_100102619829_100000042424 [0,2,0,0,0,0|1,0,1]=4 3372 B12R0.44 CC(=CCCC(C)CCN(C)C)C 2230a_100102631434_100009814015 [0,2,0,0,0,0|1,0,0]=3 3373 B12R0.44 CC(=CCCC(C)CCN(C)C)C 269982a_100102631434_100009814015 [0,2,0,0,0,0|1,0,0]=3 3374 B12R0.44 CC(=CCCC(C)CCN(C)C)C 270004a_100102631434_100000212096 [0,2,0,0,0,0|1,0,0]=3 3375 B12R0.44 CC(=CCCC(C)NCC(C)C)C 270004a_100000210953_100000765506 [0,2,0,0,0,0|1,0,0]=3 3376 B12R0.44 CC(=CCCC(C)NCC(C)O)C 270004a_100000210904_100000765506 [0,2,0,0,0,0|0,0,0]=2 3377 B12R0.44 CC(=CCCC(C)NCC(F)F)C 270004a_100000765723_100000765506 [0,2,0,0,0,0|1,0,0]=3 3378 B12R0.44 CC(=CCCC(C)OCC(=O)N)C 34a_100102619829_100000187820 [0,2,0,0,0,0|0,0,2]=4 3379 B12R0.44 CC(=CCCC(C)OCC(=O)N)C 7a_100102619829_100000187820 [0,2,0,0,0,0|0,0,2]=4 3380 B12R0.44 CC(=CCCC(C)OCC(=O)[O-])C 34a_100102619829_100020667443 [0,2,0,0,0,0|0,0,2]=4 3381 B12R0.44 CC(=CCCC(C)OCC(C)C)C 34a_100102619829_100000210624 [0,2,0,0,0,0|1,0,0]=3 3382 B12R0.44 CC(=CCCC(C)OCC(C)C)C 7a_100102619829_100000210760 [0,2,0,0,0,0|1,0,0]=3 3383 B12R0.44 CC(=CCCC(C)OCC(C)O)C 34a_100102619829_100011218427 [0,2,0,0,0,0|0,0,0]=2 3384 B12R0.44 CC(=CCCC(C)OCC(C)O)C 7a_100102619829_100011218427 [0,2,0,0,0,0|0,0,0]=2 3385 B12R0.44 CC(=CCCC(C)OCC(F)F)C 34a_100102619829_100011934356 [0,2,0,0,0,0|1,0,0]=3 3386 B12R0.44 CC(=CCCC(C)OCC(F)F)C 7a_100102619829_100011934356 [0,2,0,0,0,0|1,0,0]=3 3387 B12R0.44 CC(=CCCC(C)OC[C@@H](C)O)C 34a_100102619829_100009817552 [0,2,0,0,0,0|0,0,0]=2 3388 B12R0.44 CC(=CCCC(C)OC[C@@H](C)O)C 7a_100102619829_100009817552 [0,2,0,0,0,0|0,0,0]=2 3389 B12R0.44 CC(=CCCC(C)OC[N+](=O)[O-])C 34a_100102619829_100000761209 [0,2,0,0,0,0|1,0,1]=4 3390 B12R0.44 CC(=CCCN(C)CCC(=O)N)C 2230a_100000730477_100011217483 [0,2,0,0,0,0|1,0,1]=4 3391 B12R0.44 CC(=CCCN(C)CCC(C)C)C 2230a_100000742789_100011217483 [0,2,0,0,0,0|2,0,0]=4 3392 B12R0.44 CC(=CCCN(C)CCC(C)C)C 269982a_100000742789_100011217483 [0,2,0,0,0,0|2,0,0]=4 3393 B12R0.44 CC(=CCCN(C)CCN(C)C)C 269982a_100000225618_100011217483 [0,2,0,0,0,0|2,0,0]=4 3394 B12R0.44 CC(=CCNC(C)CCC(C)C)C 2230a_100138410893_100000761012 [0,2,0,0,0,0|2,0,0]=4 3395 B12R0.44 CC(=CCNC(C)CCC(C)C)C 270004a_100000718196_100000210476 [0,2,0,0,0,0|2,0,0]=4 3396 B12R0.44 CC(=CCNC(C)CCC(C)C)C 34a_100000718196_100011261404 [0,2,0,0,0,0|2,0,0]=4 3397 B12R0.44 CC(=CCOC(C)CCC(C)C)C 34a_100000753907_100011261404 [0,2,0,0,0,0|2,0,0]=4 3398 B12R0.44 CC(=CCOC(C)CCC(C)C)C 34a_100011215350_100000761012 [0,2,0,0,0,0|2,0,0]=4 3399 B12R0.44 CC(=CCOC(C)CCC(C)C)C 7a_100011215350_100000761012 [0,2,0,0,0,0|2,0,0]=4 3400 B12R0.44 CC(=CCSC(C)CCC(C)C)C 62a_100000761012_100011261404 [0,2,0,0,0,0|2,0,0]=4 3401 B12R0.44 CC(=CCSC(C)CCC(C)C)C 62a_100011261404_100000761012 [0,2,0,0,0,0|2,0,0]=4 3402 B12R0.44 CC(=O)CCC(C)CCC=C(C)C 1458a_100000070787_100009814015 [0,2,0,0,0,0|0,0,1]=3 3403 B12R0.44 CC(C)CCCC(C)NCC(C)O 2230a_100000210607_100011218427 [0,2,0,0,0,0|0,0,2]=4 3404 B12R0.44 CC(C)CCCC(C)NCC(C)O 270004a_100000210904_100000753411 [0,2,0,0,0,0|0,0,2]=4 3405 B12R0.44 CC(C)CCCC(C)NC[C@@H](C)O 2230a_100000210607_100009817552 [0,2,0,0,0,0|0,0,2]=4 3406 B12R0.44 CC(C)CCCC(C)OCC(C)O 34a_200011218570_100011218427 [0,2,0,0,0,0|0,0,2]=4 3407 B12R0.44 CC(C)CCCC(C)OCC(C)O 7a_200011218570_100011218427 [0,2,0,0,0,0|0,0,2]=4 3408 B12R0.44 CC(C)CCCC(C)OC[C@@H](C)O 34a_200011218570_100009817552 [0,2,0,0,0,0|0,0,2]=4 3409 B12R0.44 CC(C)CCCC(C)OC[C@@H](C)O 7a_200011218570_100009817552 [0,2,0,0,0,0|0,0,2]=4 3410 B12R0.44 CC(O)CNC(C)CCOC(C)C 270004a_100000210904_200011219172 [0,2,0,0,0,0|1,0,1]=4 3411 B12R0.233 C#CCCOC(C)CCC=C(C)C 34a_100102619829_100000688953 [0,2,0,0,0,0|1,0,0]=3 3412 B12R0.233 C#CCCOC(C)CCC=C(C)C 7a_100102619829_100000688953 [0,2,0,0,0,0|1,0,0]=3 3413 B12R0.233 C#CCOCC(C)OCC=C(C)C 34a_100011025554_100000761012 [0,2,0,0,0,0|2,0,0]=4 3414 B12R0.233 C#CCOCC(C)OCC=C(C)C 7a_100011025554_100000761012 [0,2,0,0,0,0|2,0,0]=4 3415 B12R0.233 C/C=C/COC(C)CCC=C(C)C 34a_100102619829_100102629194 [0,2,0,0,0,0|1,0,1]=4 3416 B12R0.233 C/C=C/COC(C)CCC=C(C)C 7a_100102619829_100102629194 [0,2,0,0,0,0|1,0,1]=4 3417 B12R0.233 C=CCCNC(C)CCC=C(C)C 270004a_100015191253_100000765506 [0,2,0,0,0,0|1,0,0]=3 3418 B12R0.233 C=CCCOC(C)CCC=C(C)C 34a_100102619829_100000754431 [0,2,0,0,0,0|1,0,0]=3 3419 B12R0.233 C=CCCOC(C)CCC=C(C)C 7a_100102619829_100000754431 [0,2,0,0,0,0|1,0,0]=3 3420 B12R0.233 C=CCNCC(C)CCC=C(C)C 270004a_100020586998_100000033009 [0,2,0,0,0,0|1,0,0]=3 3421 B12R0.233 CC#CCOC(C)CCC=C(C)C 34a_100102619829_100000748600 [0,2,0,0,0,0|1,0,1]=4 3422 B12R0.233 CC#CCOC(C)CCC=C(C)C 7a_100102619829_100000748600 [0,2,0,0,0,0|1,0,1]=4 3423 B12R0.233 CC(=CCC/C(=C/CNCF)/C)C 34a_200020676162_100015361967 [0,2,0,0,0,0|1,0,1]=4 3424 B12R0.233 CC(=CCC/C(=C/CSCF)/C)C 62a_100015361967_100016991246 [0,2,0,0,0,0|1,0,1]=4 3425 B12R0.233 CC(=CCC/C(=C/CSCF)/C)C 62a_100016991246_100015361967 [0,2,0,0,0,0|1,0,1]=4 3426 B12R0.233 CC(=CCC/C(=C\COCF)/C)C 34a_100016990311_100015361967 [0,2,0,0,0,0|0,0,2]=4 3427 B12R0.233 CC(=CCC/C(=C\COCF)/C)C 7a_100016990311_100015361967 [0,2,0,0,0,0|0,0,2]=4 3428 B12R0.233 CC(=CCCC(=NNCCO)C)C 4a_100000210001_100000765506 [0,2,0,0,0,0|0,0,1]=3 3429 B12R0.233 CC(=CCCC(=O)CCCCO)C 1458a_100000695505_100011217483 [0,2,0,0,0,0|1,0,1]=4 3430 B12R0.233 CC(=CCCC(=O)COCCO)C 1458a_100000708028_100011217483 [0,2,0,0,0,0|1,0,1]=4 3431 B12R0.233 CC(=CCCC(C)CCOCF)C 34a_100000017536_100015361967 [0,2,0,0,0,0|0,0,0]=2 3432 B12R0.233 CC(=CCCC(C)CCOCF)C 7a_100000017536_100015361967 [0,2,0,0,0,0|0,0,0]=2 3433 B12R0.233 CC(=CCCC(C)CCSCF)C 62a_100009814015_100015361967 [0,2,0,0,0,0|0,1,0]=3 3434 B12R0.233 CC(=CCCC(C)CCSCF)C 62a_100015361967_100009814015 [0,2,0,0,0,0|0,1,0]=3 3435 B12R0.233 CC(=CCCC(C)CNCCO)C 270004a_100000210304_100000033009 [0,2,0,0,0,0|0,0,0]=2 3436 B12R0.233 CC(=CCCC(C)NCCC#N)C 270004a_100000720768_100000765506 [0,2,0,0,0,0|1,0,0]=3 3437 B12R0.233 CC(=CCCC(C)NCCCF)C 270004a_100015189416_100000765506 [0,2,0,0,0,0|1,0,0]=3 3438 B12R0.233 CC(=CCCC(C)NCCCO)C 270004a_100000182051_100000765506 [0,2,0,0,0,0|0,0,0]=2 3439 B12R0.233 CC(=CCCC(C)OCCC#N)C 7a_100102619829_100000184422 [0,2,0,0,0,0|1,0,0]=3 3440 B12R0.233 CC(=CCCC(C)OCCCF)C 34a_100102619829_100011934791 [0,2,0,0,0,0|1,0,0]=3 3441 B12R0.233 CC(=CCCC(C)OCCCF)C 7a_100102619829_100011934791 [0,2,0,0,0,0|1,0,0]=3 3442 B12R0.233 CC(=CCCC(C)OCCCO)C 34a_100102619829_100000230001 [0,2,0,0,0,0|0,0,0]=2 3443 B12R0.233 CC(=CCCC(C)OCCCO)C 7a_100102619829_100011215043 [0,2,0,0,0,0|0,0,0]=2 3444 B12R0.233 CC(=CCCN(C)CCCCO)C 2230a_100000717598_100011217483 [0,2,0,0,0,0|1,0,0]=3 3445 B12R0.233 CC(=CCCN(C)CCCCO)C 269982a_100000717598_100011217483 [0,2,0,0,0,0|1,0,0]=3 3446 B12R0.233 CC(=CCNC(C)CCCC#N)C 270004a_100000718196_200000032708 [0,2,0,0,0,0|2,0,0]=4 3447 B12R0.233 CC(C)CCCC(C)CCOCF 34a_100000015991_100015361967 [0,2,0,0,0,0|0,0,2]=4 3448 B12R0.233 CC(C)CCCC(C)CCOCF 7a_100000015991_100015361967 [0,2,0,0,0,0|0,0,2]=4 3449 B12R0.233 CC(C)CCCC(C)NCCCO 2230a_100000210607_100000230001 [0,2,0,0,0,0|0,0,2]=4 3450 B12R0.233 CC(C)CCCC(C)NCCCO 270004a_100000182051_100000753411 [0,2,0,0,0,0|0,0,2]=4 3451 B12R0.233 CC(C)CCCC(C)OCCCO 34a_200011218570_100000230001 [0,2,0,0,0,0|0,0,2]=4 3452 B12R0.233 CC(C)CCCC(C)OCCCO 7a_200011218570_100011215043 [0,2,0,0,0,0|0,0,2]=4 3453 B12R0.233 CC(CCOC(C)C)NCCCO 270004a_100000182051_200011219172 [0,2,0,0,0,0|1,0,1]=4 3454 B12R0.233 CC=CCOC(C)CCC=C(C)C 34a_100102619829_100000070051 [0,2,0,0,0,0|1,0,1]=4 3455 B12R0.233 CC=CCOC(C)CCC=C(C)C 7a_100102619829_100000070051 [0,2,0,0,0,0|1,0,1]=4 3456 B12R0.233 CCC#CCC(C)OCC=C(C)C 34a_200000035118_100000761012 [0,2,0,0,0,0|2,0,0]=4 3457 B12R0.233 CCC#CCC(C)OCC=C(C)C 7a_200000035118_100000761012 [0,2,0,0,0,0|2,0,0]=4 3458 B12R0.233 CCCCCC(C)NCC=C(C)C 2230a_100000211957_100000761012 [0,2,0,0,0,0|2,0,0]=4 3459 B12R0.233 CCCCCC(C)NCC=C(C)C 270004a_100000718196_100000211708 [0,2,0,0,0,0|2,0,0]=4 3460 B12R0.233 CCCCCC(C)NCC=C(C)C 34a_100000718196_200011218191 [0,2,0,0,0,0|2,0,0]=4 3461 B12R0.233 CCCCCC(C)OCC=C(C)C 34a_100000753907_200011218191 [0,2,0,0,0,0|2,0,0]=4 3462 B12R0.233 CCCCCC(C)OCC=C(C)C 34a_100011215632_100000761012 [0,2,0,0,0,0|2,0,0]=4 3463 B12R0.233 CCCCCC(C)OCC=C(C)C 7a_100011215632_100000761012 [0,2,0,0,0,0|2,0,0]=4 3464 B12R0.233 CCCCCC(C)SCC=C(C)C 62a_100000761012_200011218191 [0,2,0,0,0,0|2,0,0]=4 3465 B12R0.233 CCCCCC(C)SCC=C(C)C 62a_200011218191_100000761012 [0,2,0,0,0,0|2,0,0]=4 3466 B12R0.233 CCCCCN(C)CCC=C(C)C 2230a_100000223495_100011217483 [0,2,0,0,0,0|2,0,0]=4 3467 B12R0.233 CCCCCN(C)CCC=C(C)C 269982a_100000223495_100011217483 [0,2,0,0,0,0|2,0,0]=4 3468 B12R0.233 CCCCNC(C)CCC=C(C)C 270004a_100000102301_100000765506 [0,2,0,0,0,0|1,0,0]=3 3469 B12R0.233 CCCCOC(C)CCC=C(C)C 34a_100102619829_100000210210 [0,2,0,0,0,0|1,0,0]=3 3470 B12R0.233 CCCCOC(C)CCC=C(C)C 7a_100102619829_100000210211 [0,2,0,0,0,0|1,0,0]=3 3471 B12R0.233 CCCNCC(C)CCC=C(C)C 270004a_100020643023_100000033009 [0,2,0,0,0,0|1,0,0]=3 3472 B12R0.233 CCCNN=C(C)CCC=C(C)C 4a_100000740057_100000765506 [0,2,0,0,0,0|1,0,1]=4 3473 B12R0.233 CCCSCC(C)NCC=C(C)C 270004a_100000718196_100011343953 [0,2,0,0,0,0|2,0,0]=4 3474 B12R0.233 CCNC/C=C(\C)/CCC=C(C)C 2230a_100015525214_100016991246 [0,2,0,0,0,0|1,0,1]=4 3475 B12R0.233 CCNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000210202 [0,2,0,0,0,0|1,0,1]=4 3476 B12R0.233 CCNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000210202 [0,2,0,0,0,0|1,0,1]=4 3477 B12R0.233 CCNCCC(C)CCC=C(C)C 2230a_100015525214_100009814015 [0,2,0,0,0,0|1,0,0]=3 3478 B12R0.233 CCNCCC(C)CCC=C(C)C 269862a_100015525214_100000212096 [0,2,0,0,0,0|1,0,0]=3 3479 B12R0.233 CCNCCC(C)CCC=C(C)C 270004a_100015525214_100000212096 [0,2,0,0,0,0|1,0,0]=3 3480 B12R0.233 CCNN=CC(C)CCC=C(C)C 4a_100000756455_100000033009 [0,2,0,0,0,0|1,0,1]=4 3481 B12R0.233 CCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000210202 [0,2,0,0,0,0|0,0,2]=4 3482 B12R0.233 CCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000210202 [0,2,0,0,0,0|0,0,2]=4 3483 B12R0.233 CCOC/C=C(\C)/CCC=C(C)C 34a_100121572206_100016991246 [0,2,0,0,0,0|0,0,2]=4 3484 B12R0.233 CCOCCC(=O)CCC=C(C)C 1458a_100000749530_100011217483 [0,2,0,0,0,0|1,0,1]=4 3485 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100000017536_100000210202 [0,2,0,0,0,0|0,0,0]=2 3486 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100121572206_100009814015 [0,2,0,0,0,0|0,0,0]=2 3487 B12R0.233 CCOCCC(C)CCC=C(C)C 7a_100000017536_100000210202 [0,2,0,0,0,0|0,0,0]=2 3488 B12R0.233 CCOCCC(C)CCCC(C)C 34a_100000015991_100000210202 [0,2,0,0,0,0|0,0,2]=4 3489 B12R0.233 CCOCCC(C)CCCC(C)C 34a_100121572206_100009816328 [0,2,0,0,0,0|0,0,2]=4 3490 B12R0.233 CCOCCC(C)CCCC(C)C 7a_100000015991_100000210202 [0,2,0,0,0,0|0,0,2]=4 3491 B12R0.233 CCOCCC(C)NCC=C(C)C 270004a_100000718196_200011216536 [0,2,0,0,0,0|1,0,0]=3 3492 B12R0.233 CCSC/C=C(\C)/CCC=C(C)C 62a_100000210202_100016991246 [0,2,0,0,0,0|1,0,1]=4 3493 B12R0.233 CCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000210202 [0,2,0,0,0,0|1,0,1]=4 3494 B12R0.233 CCSCCC(C)CCC=C(C)C 62a_100000210202_100009814015 [0,2,0,0,0,0|0,1,0]=3 3495 B12R0.233 CCSCCC(C)CCC=C(C)C 62a_100009814015_100000210202 [0,2,0,0,0,0|0,1,0]=3 3496 B12R0.233 COCCCC(=O)CCC=C(C)C 1458a_100000741012_100011217483 [0,2,0,0,0,0|1,0,1]=4 3497 B12R0.233 COCCCC(C)OCC=C(C)C 34a_200011539412_100000761012 [0,2,0,0,0,0|1,0,0]=3 3498 B12R0.233 COCCCC(C)OCC=C(C)C 7a_200011539412_100000761012 [0,2,0,0,0,0|1,0,0]=3 3499 B12R0.233 COCCCN(C)CCC=C(C)C 2230a_100000224831_100011217483 [0,2,0,0,0,0|1,0,0]=3 3500 B12R0.233 COCCCN(C)CCC=C(C)C 269982a_100000224831_100011217483 [0,2,0,0,0,0|1,0,0]=3 3501 B12R0.233 COCCNC(C)CCC=C(C)C 270004a_100000209980_100000765506 [0,2,0,0,0,0|0,0,0]=2 3502 B12R0.233 COCCNC(C)CCCC(C)C 2230a_100000210607_100011201679 [0,2,0,0,0,0|0,0,2]=4 3503 B12R0.233 COCCNC(C)CCCC(C)C 270004a_100000209980_100000753411 [0,2,0,0,0,0|0,0,2]=4 3504 B12R0.233 COCCNC(C)CCOC(C)C 270004a_100000209980_200011219172 [0,2,0,0,0,0|1,0,1]=4 3505 B12R0.233 COCCOC(C)CCC=C(C)C 34a_100102619829_100011201679 [0,2,0,0,0,0|0,0,0]=2 3506 B12R0.233 COCCOC(C)CCC=C(C)C 7a_100102619829_100000233755 [0,2,0,0,0,0|0,0,0]=2 3507 B12R0.233 COCCOC(C)CCCC(C)C 34a_200011218570_100011201679 [0,2,0,0,0,0|0,0,2]=4 3508 B12R0.233 COCCOC(C)CCCC(C)C 7a_200011218570_100000233755 [0,2,0,0,0,0|0,0,2]=4 3509 B12R0.233 CSCCCC(C)NCC=C(C)C 270004a_100000718196_100011399439 [0,2,0,0,0,0|1,1,0]=4 3510 B12R0.233 CSCCNC(C)CCC=C(C)C 270004a_100020590264_100000765506 [0,2,0,0,0,0|0,1,0]=3 3511 B12R0.233 CSCCOC(C)CCC=C(C)C 34a_100102619829_100000212216 [0,2,0,0,0,0|0,1,0]=3 3512 B12R0.233 CSCCOC(C)CCC=C(C)C 7a_100102619829_100000212216 [0,2,0,0,0,0|0,1,0]=3 3513 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [1,0,0,1,0,0|1,0,1]=4 3514 B10R1.13 CC(=O)N1CCC(CC1)C 240690a_100000188429_100015343762 [1,0,0,1,0,0|2,0,0]=4 3515 B10R1.13 CC(=O)N1CCC(CC1)C 527a_100000188429_100103153847 [1,0,0,1,0,0|2,0,0]=4 3516 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [1,0,0,1,0,0|1,0,1]=4 3517 B10R1.13 CC1CCC(CC1)N(C)C 269982a_100102631434_200011216234 [1,0,0,1,0,0|1,0,1]=4 3518 B10R1.13 CC1CCC(CC1)N(C)C 270004a_100102631434_100000185489 [1,0,0,1,0,0|1,0,1]=4 3519 B10R1.13 CC1CCN(CC1)C(C)C 2230a_100000188429_100000210206 [1,0,0,1,0,0|1,0,1]=4 3520 B10R1.13 CC1CCN(CC1)C(C)C 269982a_100000188429_100000210206 [1,0,0,1,0,0|1,0,1]=4 3521 B10R1.13 CC1CCN(CC1)C(C)C 34a_100000188429_100000210206 [1,0,0,1,0,0|1,0,1]=4 3522 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [1,0,0,1,0,0|1,0,1]=4 3523 B10R1.31 CC(=O)N1CCC(C1)CO 240690a_100000748654_100015343762 [1,0,0,1,0,0|2,0,0]=4 3524 B10R1.31 CC(=O)N1CCC(C1)CO 527a_100000748654_100103153847 [1,0,0,1,0,0|2,0,0]=4 3525 B10R1.31 CC(C)N1CCC(C1)CO 2230a_100000748654_100000210206 [1,0,0,1,0,0|1,0,1]=4 3526 B10R1.31 CC(C)N1CCC(C1)CO 269982a_100000748654_100000210206 [1,0,0,1,0,0|1,0,1]=4 3527 B10R1.31 CC(C)N1CCC(C1)CO 34a_100000748654_100000210206 [1,0,0,1,0,0|1,0,1]=4 3528 B10R1.31 CCC1CCC(C1)N(C)C 270004a_100102631434_100011218773 [1,0,0,1,0,0|1,0,1]=4 3529 B10R1.54 CC1CCC(C1)OC(C)C 34a_100000698185_100000210206 [1,0,0,1,0,0|1,0,1]=4 3530 B10R1.73 CC(=CCN[C@@H]1C[C@@H]1F)C 2230a_100015190264_100000761012 [1,0,0,1,0,0|2,0,0]=4 3531 B10R1.73 CC(=CCN[C@@H]1C[C@H]1F)C 2230a_100025746932_100000761012 [1,0,0,1,0,0|2,0,0]=4 3532 B10R1.73 CC(=CCN[C@@H]1C[C@H]1F)C 34a_100025746932_100000761012 [1,0,0,1,0,0|2,0,0]=4 3533 B10R1.117 CC(=CCN1CCC1C)C 269982a_100000755817_100000761012 [1,0,0,1,0,0|1,0,0]=3 3534 B10R1.117 CC(=CCN1CCC1C)C 34a_100000755817_100000761012 [1,0,0,1,0,0|1,0,0]=3 3535 B10R1.127 CC(=CCCN1CCC1)C 269982a_100000754969_100011217483 [1,0,0,1,0,0|1,0,0]=3 3536 B10R1.127 CC(=CCNC1CCC1)C 2230a_100000749019_100000761012 [1,0,0,1,0,0|1,0,0]=3 3537 B10R1.127 CC(=CCNC1CCC1)C 270004a_100000718196_100000241760 [1,0,0,1,0,0|1,0,0]=3 3538 B10R1.127 CC(=CCNC1CCC1)C 34a_100000718196_100000749161 [1,0,0,1,0,0|1,0,0]=3 3539 B10R1.127 CC(=CCNC1CCC1)C 34a_100000749019_100000761012 [1,0,0,1,0,0|1,0,0]=3 3540 B10R1.127 CC(=CCNC1COC1)C 2230a_100016991112_100000761012 [1,0,0,1,0,0|1,0,0]=3 3541 B10R1.127 CC(=CCNC1COC1)C 34a_100000718196_100009818527 [1,0,0,1,0,0|1,0,0]=3 3542 B10R1.127 CC(=CCOC1CCC1)C 34a_100000748187_100000761012 [1,0,0,1,0,0|1,0,0]=3 3543 B10R1.127 CC(=CCOC1CCC1)C 34a_100000753907_100000749161 [1,0,0,1,0,0|1,0,0]=3 3544 B10R1.127 CC(=CCOC1COC1)C 34a_100000753907_100009818527 [1,0,0,1,0,0|1,0,0]=3 3545 B10R1.127 CC(=CCOC1CSC1)C 7a_100000072292_100000761012 [1,0,0,1,0,0|1,1,0]=4 3546 B10R1.127 CC(=CCSC1CCC1)C 62a_100000761012_100000749161 [1,0,0,1,0,0|1,0,0]=3 3547 B10R1.127 CC(=CCSC1COC1)C 62a_100000761012_100009818527 [1,0,0,1,0,0|1,0,0]=3 3548 B10R1.127 CC(C)OCCC1COC1 34a_100009855314_100000210206 [1,0,0,1,0,0|1,0,1]=4 3549 B10R1.153 CC(CO)CCNC1CC1 34a_106354213184_100000211595 [1,0,0,1,0,0|1,0,1]=4 3550 B10R1.168 CC(=O)NC1CC(C1)CO 240690a_100000095622_100015343762 [1,0,0,1,0,0|2,0,0]=4 3551 B10R1.168 CC(=O)NC1CC(C1)CO 527a_100000095622_100103153847 [1,0,0,1,0,0|2,0,0]=4 3552 B10R1.168 CC(C)SC1CC(C1)CO 62a_100000210206_100009874164 [1,0,0,1,0,0|1,0,1]=4 3553 B10R1.168 CC(C)SC1CC(C1)CO 62a_100009874164_100000210206 [1,0,0,1,0,0|1,0,1]=4 3554 B10R1.197 CCC1CCCN(CC1)C 2230a_100000757272_200000210301 [1,0,0,1,0,0|1,0,1]=4 3555 B10R1.197 CCC1CCCN(CC1)C 269982a_100000757272_200000210301 [1,0,0,1,0,0|1,0,1]=4 3556 B10R1.197 CCC1CCCN(CC1)C 34a_100000757272_200000210301 [1,0,0,1,0,0|1,0,1]=4 3557 B10R1.197 CCC1CCCN(CC1)[13CH3] 2230a_100000757272_200025704644 [1,0,0,1,0,0|1,0,1]=4 3558 B10R1.197 CCC1CCCN(CC1)[13CH3] 269982a_100000757272_200025704644 [1,0,0,1,0,0|1,0,1]=4 3559 B10R1.197 CCC1CCCN(CC1)[13CH3] 34a_100000757272_200025704644 [1,0,0,1,0,0|1,0,1]=4 3560 B10R1.350 CC(=CCNC1(CC1)C)C 2230a_100000757604_100000761012 [1,0,0,1,0,0|1,0,0]=3 3561 B10R1.350 CC(=CCOC1(CC1)C)C 7a_100011725673_100000761012 [1,0,0,1,0,0|1,0,0]=3 3562 B10R1.485 CCC1(CCCN(C1)C)C 2230a_100000756310_200000210301 [1,0,0,1,0,0|1,0,1]=4 3563 B10R1.485 CCC1(CCCN(C1)C)C 269982a_100000756310_200000210301 [1,0,0,1,0,0|1,0,1]=4 3564 B10R1.485 CCC1(CCCN(C1)[13CH3])C 2230a_100000756310_200025704644 [1,0,0,1,0,0|1,0,1]=4 3565 B10R1.485 CCC1(CCCN(C1)[13CH3])C 269982a_100000756310_200025704644 [1,0,0,1,0,0|1,0,1]=4 3566 B10R1.10 CC1=CCCN(C1)CCF 2230a_100000725631_100011217306 [1,0,0,1,0,0|2,0,0]=4 3567 B10R1.10 CC1=CCCN(C1)CCF 269982a_100000725631_100011217306 [1,0,0,1,0,0|2,0,0]=4 3568 B10R1.10 CC1=CCCN(C1)CCF 34a_100000725631_100011217306 [1,0,0,1,0,0|2,0,0]=4 3569 B10R1.10 CC1=CCCN(C1)CCO 2230a_100000725631_100000211926 [1,0,0,1,0,0|1,0,0]=3 3570 B10R1.10 CC1=CCCN(C1)CCO 269982a_100000725631_100000211926 [1,0,0,1,0,0|1,0,0]=3 3571 B10R1.10 CC1=CCCN(C1)CCO 34a_100000725631_100000211926 [1,0,0,1,0,0|1,0,0]=3 3572 B10R1.10 CCCN1CCC=C(C1)C 2230a_100000725631_100000210303 [1,0,0,1,0,0|2,0,0]=4 3573 B10R1.10 CCCN1CCC=C(C1)C 269982a_100000725631_100000210303 [1,0,0,1,0,0|2,0,0]=4 3574 B10R1.10 CCCN1CCC=C(C1)C 34a_100000725631_100000210303 [1,0,0,1,0,0|2,0,0]=4 3575 B10R1.10 CN1CCCC(C1)CCO 2230a_100000752241_200000210301 [1,0,0,1,0,0|1,0,1]=4 3576 B10R1.10 CN1CCCC(C1)CCO 269982a_100000752241_200000210301 [1,0,0,1,0,0|1,0,1]=4 3577 B10R1.10 CN1CCCC(C1)CCO 34a_100000752241_200000210301 [1,0,0,1,0,0|1,0,1]=4 3578 B10R1.10 [13CH3]N1CCCC(C1)CCO 2230a_100000752241_200025704644 [1,0,0,1,0,0|1,0,1]=4 3579 B10R1.10 [13CH3]N1CCCC(C1)CCO 269982a_100000752241_200025704644 [1,0,0,1,0,0|1,0,1]=4 3580 B10R1.10 [13CH3]N1CCCC(C1)CCO 34a_100000752241_200025704644 [1,0,0,1,0,0|1,0,1]=4 3581 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [1,0,0,1,0,0|1,0,1]=4 3582 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [1,0,0,1,0,0|1,0,1]=4 3583 B10R1.18 CC(C)OC1CCCCO1 34a_100000033831_100000210206 [1,0,0,1,0,0|1,0,1]=4 3584 B10R1.18 CN(C)CC1CCCCO1 2230a_100000225654_200000210301 [1,0,0,1,0,0|1,0,1]=4 3585 B10R1.18 CN(C)CC1CCCCO1 2230a_100102631434_100000211543 [1,0,0,1,0,0|1,0,1]=4 3586 B10R1.18 CN(C)CC1CCCCO1 269982a_100000225654_200000210301 [1,0,0,1,0,0|1,0,1]=4 3587 B10R1.18 CN(C)CC1CCCCO1 269982a_100102631434_100000211543 [1,0,0,1,0,0|1,0,1]=4 3588 B10R1.18 CN(C)CC1CCCCO1 34a_100000225654_200000210301 [1,0,0,1,0,0|1,0,1]=4 3589 B10R1.18 CN([13CH3])CC1CCCCO1 2230a_100000225654_200025704644 [1,0,0,1,0,0|1,0,1]=4 3590 B10R1.18 CN([13CH3])CC1CCCCO1 269982a_100000225654_200025704644 [1,0,0,1,0,0|1,0,1]=4 3591 B10R1.18 CN([13CH3])CC1CCCCO1 34a_100000225654_200025704644 [1,0,0,1,0,0|1,0,1]=4 3592 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [1,0,0,1,0,0|1,0,1]=4 3593 B10R1.39 CC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100015343762 [1,0,0,1,0,0|2,0,0]=4 3594 B10R1.39 CC(=O)N1CCC[C@@H]1CO 527a_100000745186_100103153847 [1,0,0,1,0,0|2,0,0]=4 3595 B10R1.39 CC(C)N1CCC[C@@H]1CO 2230a_100000745186_100000210206 [1,0,0,1,0,0|1,0,1]=4 3596 B10R1.39 CC(C)N1CCC[C@@H]1CO 269982a_100000745186_100000210206 [1,0,0,1,0,0|1,0,1]=4 3597 B10R1.39 CC(C)N1CCC[C@@H]1CO 34a_100000745186_100000210206 [1,0,0,1,0,0|1,0,1]=4 3598 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [1,0,0,1,0,0|1,0,1]=4 3599 B10R1.61 CN(C)C1CCCCC1O 269982a_100102631434_100000038908 [1,0,0,1,0,0|1,0,1]=4 3600 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_200000210301 [1,0,0,1,0,0|1,0,1]=4 3601 B10R1.61 CN([13CH3])[C@@H]1CCCC[C@H]1O 269982a_100000708425_200025704644 [1,0,0,1,0,0|1,0,1]=4 3602 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [1,0,0,1,0,0|1,0,1]=4 3603 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [1,0,0,1,0,0|2,0,0]=4 3604 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [1,0,0,1,0,0|2,0,0]=4 3605 B10R1.64 CC(C)S[C@@H]1CCC[C@H]1O 62a_100000210206_200016002552 [1,0,0,1,0,0|1,0,1]=4 3606 B10R1.64 CC(C)S[C@@H]1CCC[C@H]1O 62a_200016002552_100000210206 [1,0,0,1,0,0|1,0,1]=4 3607 B10R1.66 CC(=CCN1CCCC1)C 2230a_100000188435_100000761012 [1,0,0,1,0,0|2,0,0]=4 3608 B10R1.66 CC(=CCN1CCCC1)C 269982a_100000188435_100000761012 [1,0,0,1,0,0|2,0,0]=4 3609 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [1,0,0,1,0,0|1,0,1]=4 3610 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [1,0,0,1,0,0|2,0,0]=4 3611 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [1,0,0,1,0,0|2,0,0]=4 3612 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [1,0,0,1,0,0|2,0,0]=4 3613 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [1,0,0,1,0,0|2,0,0]=4 3614 B10R1.66 CC(C)NCC1CCCO1 2230a_100138425928_100000203698 [1,0,0,1,0,0|1,0,1]=4 3615 B10R1.66 CC(C)NC[C@@H]1CCCO1 2230a_100020590478_100000210206 [1,0,0,1,0,0|1,0,1]=4 3616 B10R1.66 CC(C)NC[C@@H]1CCCO1 34a_100020590478_100000210206 [1,0,0,1,0,0|1,0,1]=4 3617 B10R1.66 CC(C)OCC1CCCO1 34a_100000210270_100000210206 [1,0,0,1,0,0|1,0,1]=4 3618 B10R1.66 CC(C)OCC1CCCO1 7a_100000210270_100000210206 [1,0,0,1,0,0|1,0,1]=4 3619 B10R1.66 CC(C)SCC1CCCO1 62a_100000203698_100000210206 [1,0,0,1,0,0|1,0,1]=4 3620 B10R1.66 CC(C)SCC1CCCO1 62a_100000210206_100000203698 [1,0,0,1,0,0|1,0,1]=4 3621 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [1,0,0,1,0,0|1,0,1]=4 3622 B10R1.126 CC(=CCCNC1CC1)C 34a_100000212008_100011217483 [1,0,0,1,0,0|2,0,0]=4 3623 B10R1.126 CC(=CCCSC1CC1)C 62a_100011217483_100000211595 [1,0,0,1,0,0|2,0,0]=4 3624 B10R1.126 CC(=CCNCC1CC1)C 2230a_100000735609_100000761012 [1,0,0,1,0,0|2,0,0]=4 3625 B10R1.126 CC(=CCNCC1CC1)C 34a_100000718196_100000742324 [1,0,0,1,0,0|2,0,0]=4 3626 B10R1.126 CC(=CCNCC1CC1)C 34a_100000735609_100000761012 [1,0,0,1,0,0|2,0,0]=4 3627 B10R1.126 CC(=CCNCC1CO1)C 34a_100000718196_102125554688 [1,0,0,1,0,0|1,0,0]=3 3628 B10R1.126 CC(=CCOCC1CC1)C 34a_100000211283_100000761012 [1,0,0,1,0,0|2,0,0]=4 3629 B10R1.126 CC(=CCOCC1CC1)C 34a_100000753907_100000742324 [1,0,0,1,0,0|2,0,0]=4 3630 B10R1.126 CC(=CCOCC1CO1)C 34a_100000753907_102125554688 [1,0,0,1,0,0|1,0,0]=3 3631 B10R1.126 CC(=CCOC[C@@H]1CO1)C 34a_100000757423_100000761012 [1,0,0,1,0,0|1,0,0]=3 3632 B10R1.126 CC(=CCSCC1CC1)C 62a_100000756562_100000761012 [1,0,0,1,0,0|2,0,0]=4 3633 B10R1.126 CC(=CCSCC1CC1)C 62a_100000761012_100000742324 [1,0,0,1,0,0|2,0,0]=4 3634 B10R1.126 CC(=CCSCC1CO1)C 62a_100000761012_102125554688 [1,0,0,1,0,0|1,0,0]=3 3635 B10R1.126 CC(=CCSCC1CO1)C 62a_102125554688_100000761012 [1,0,0,1,0,0|1,0,0]=3 3636 B10R1.126 CC(=CCSCC1CS1)C 62a_100000031435_100000761012 [1,0,0,1,0,0|1,1,0]=4 3637 B10R1.126 CC(=CCSCC1CS1)C 62a_100000761012_100000031435 [1,0,0,1,0,0|1,1,0]=4 3638 B10R1.126 CC(=CCSC[C@@H]1CO1)C 62a_100000745022_100000761012 [1,0,0,1,0,0|1,0,0]=3 3639 B10R1.126 CC(=CCSC[C@@H]1CO1)C 62a_100000761012_100000745022 [1,0,0,1,0,0|1,0,0]=3 3640 B10R1.126 CC(C)NCCCC1CO1 2230a_100138425928_100000733510 [1,0,0,1,0,0|1,0,1]=4 3641 B10R1.126 CC(C)NCCCC1CO1 34a_100138425928_100000733510 [1,0,0,1,0,0|1,0,1]=4 3642 B10R1.126 CC(C)OCCCC1CO1 34a_100000212225_100000733510 [1,0,0,1,0,0|1,0,1]=4 3643 B10R1.126 CC(C)SCCCC1CO1 62a_100000210206_100000733510 [1,0,0,1,0,0|1,0,1]=4 3644 B10R1.126 CC(C)SCCCC1CO1 62a_100000733510_100000210206 [1,0,0,1,0,0|1,0,1]=4 3645 B10R1.177 OCCCCCNC1CC1 34a_100000212008_100000746330 [1,0,0,1,0,0|1,0,1]=4 3646 B10R1.177 OCCCCCNC1CC1 34a_100000762737_100000211595 [1,0,0,1,0,0|1,0,1]=4 3647 B10R1.177 OCCCCCSC1CC1 62a_100000746330_100000211595 [1,0,0,1,0,0|1,0,1]=4 3648 B10R1.11 CC(CCO)N1CC=CC1 269982a_100015195280_100009893172 [1,0,0,1,0,0|1,0,0]=3 3649 B10R1.11 CCCC(C)N1CC=CC1 269982a_100015195280_100000766640 [1,0,0,1,0,0|2,0,0]=4 3650 B10R1.11 O=C(CCO)C1CC=CC1 1458a_100000759439_100000211926 [1,0,0,1,0,0|1,0,1]=4 3651 B10R1.21 C/C=C/CNC1CCCC1 34a_100000211070_100102629194 [1,0,0,1,0,0|2,0,0]=4 3652 B10R1.21 C/C=C/CN[C@H]1CCOC1 34a_100015188467_100102629194 [1,0,0,1,0,0|1,0,0]=3 3653 B10R1.21 C/C=C/COC1CCCC1 34a_100000210269_100102629194 [1,0,0,1,0,0|2,0,0]=4 3654 B10R1.21 C/C=C/COC1CCCC1 34a_100016270725_100000179811 [1,0,0,1,0,0|2,0,0]=4 3655 B10R1.21 C/C=C/COC1CCCC1 7a_100000210269_100102629194 [1,0,0,1,0,0|2,0,0]=4 3656 B10R1.21 C/C=C/COC1CCOC1 34a_100016270725_100000690089 [1,0,0,1,0,0|1,0,0]=3 3657 B10R1.21 C/C=C/COC1CCSC1 7a_100011232664_100102629194 [1,0,0,1,0,0|1,1,0]=4 3658 B10R1.21 C/C=C/CO[C@H]1CCOC1 34a_100000717292_100102629194 [1,0,0,1,0,0|1,0,0]=3 3659 B10R1.21 C/C=C/CSC1CCCC1 62a_100011217020_100102629194 [1,0,0,1,0,0|2,0,0]=4 3660 B10R1.21 C/C=C/CSC1CCCC1 62a_100102629194_100000179811 [1,0,0,1,0,0|2,0,0]=4 3661 B10R1.21 C/C=C/CSC1CCOC1 62a_100102629194_100000690089 [1,0,0,1,0,0|1,0,0]=3 3662 B10R1.21 CC=CCNC1CCCC1 2230a_100000211070_100000070051 [1,0,0,1,0,0|2,0,0]=4 3663 B10R1.21 CC=CCNC1CCCC1 34a_100000211070_100000070051 [1,0,0,1,0,0|2,0,0]=4 3664 B10R1.21 CC=CCN[C@@H]1CCOC1 2230a_200015188469_100000070051 [1,0,0,1,0,0|1,0,0]=3 3665 B10R1.21 CC=CCN[C@H]1CCOC1 2230a_100015188467_100000070051 [1,0,0,1,0,0|1,0,0]=3 3666 B10R1.21 CC=CCN[C@H]1CCOC1 34a_100015188467_100000070051 [1,0,0,1,0,0|1,0,0]=3 3667 B10R1.21 CC=CCOC1CCCC1 34a_100000210269_100000070051 [1,0,0,1,0,0|2,0,0]=4 3668 B10R1.21 CC=CCOC1CCCC1 7a_100000210269_100000070051 [1,0,0,1,0,0|2,0,0]=4 3669 B10R1.21 CC=CCOC1CCSC1 7a_100011232664_100000070051 [1,0,0,1,0,0|1,1,0]=4 3670 B10R1.21 CC=CCO[C@H]1CCOC1 34a_100000717292_100000070051 [1,0,0,1,0,0|1,0,0]=3 3671 B10R1.21 CC=CCSC1CCCC1 62a_100000070051_100000179811 [1,0,0,1,0,0|2,0,0]=4 3672 B10R1.21 CC=CCSC1CCCC1 62a_100011217020_100000070051 [1,0,0,1,0,0|2,0,0]=4 3673 B10R1.21 CC=CCSC1CCOC1 62a_100000070051_100000690089 [1,0,0,1,0,0|1,0,0]=3 3674 B10R1.21 CCOCCC1CCOC1 34a_100011879284_100000210202 [1,0,0,1,0,0|1,0,1]=4 3675 B10R1.29 C/C=C/CN1CCC[C@@H]1C 269982a_100020605311_100102629194 [1,0,0,1,0,0|2,0,0]=4 3676 B10R1.29 C/C=C/CN1CCC[C@H]1C 269982a_100015189458_100102629194 [1,0,0,1,0,0|2,0,0]=4 3677 B10R1.29 C/C=C/CN1CCC[C@H]1C 34a_100015189458_100102629194 [1,0,0,1,0,0|2,0,0]=4 3678 B10R1.29 CC=CCN1CCC[C@@H]1C 2230a_100020605311_100000070051 [1,0,0,1,0,0|2,0,0]=4 3679 B10R1.29 CC=CCN1CCC[C@H]1C 2230a_100015189458_100000070051 [1,0,0,1,0,0|2,0,0]=4 3680 B10R1.29 CC=CCN1CCC[C@H]1C 34a_100015189458_100000070051 [1,0,0,1,0,0|2,0,0]=4 3681 B10R1.96 CCN1CCC(C1)CCO 2230a_100016987287_100000210202 [1,0,0,1,0,0|1,0,1]=4 3682 B10R1.96 CCN1CCC(C1)CCO 269982a_100016987287_100000204670 [1,0,0,1,0,0|1,0,1]=4 3683 B10R1.96 CCN1CCC(C1)CCO 34a_100016987287_100000210202 [1,0,0,1,0,0|1,0,1]=4 3684 B10R1.186 C/C=C/CNC(C)C1CC1 34a_100000700016_100102629194 [1,0,0,1,0,0|2,0,0]=4 3685 B10R1.186 C/C=C/COC(C)C1CC1 34a_100000744524_100102629194 [1,0,0,1,0,0|2,0,0]=4 3686 B10R1.186 C/C=C/COC(C)C1CC1 7a_100000744524_100102629194 [1,0,0,1,0,0|2,0,0]=4 3687 B10R1.186 CC=CCNC(C)C1CC1 2230a_100000700016_100000070051 [1,0,0,1,0,0|2,0,0]=4 3688 B10R1.186 CC=CCNC(C)C1CC1 34a_100000700016_100000070051 [1,0,0,1,0,0|2,0,0]=4 3689 B10R1.186 CC=CCOC(C)C1CC1 34a_100000744524_100000070051 [1,0,0,1,0,0|2,0,0]=4 3690 B10R1.186 CC=CCOC(C)C1CC1 7a_100000744524_100000070051 [1,0,0,1,0,0|2,0,0]=4 3691 B10R1.376 C/C=C/CNC1(CCC1)C 34a_100000692455_100102629194 [1,0,0,1,0,0|2,0,0]=4 3692 B10R1.376 C/C=C/COC1(CCC1)C 34a_100000759064_100102629194 [1,0,0,1,0,0|2,0,0]=4 3693 B10R1.376 C/C=C/COC1(CCC1)C 7a_100000759064_100102629194 [1,0,0,1,0,0|2,0,0]=4 3694 B10R1.376 CC=CCNC1(CCC1)C 2230a_100000692455_100000070051 [1,0,0,1,0,0|2,0,0]=4 3695 B10R1.376 CC=CCNC1(CCC1)C 34a_100000692455_100000070051 [1,0,0,1,0,0|2,0,0]=4 3696 B10R1.376 CC=CCOC1(CCC1)C 34a_100000759064_100000070051 [1,0,0,1,0,0|2,0,0]=4 3697 B10R1.376 CC=CCOC1(CCC1)C 7a_100000759064_100000070051 [1,0,0,1,0,0|2,0,0]=4 3698 B10R1.377 CC1(CC=CCC1)CO[13CH3] 34a_200000074738_200025704644 [1,0,0,1,0,0|2,0,0]=4 3699 B10R1.377 COCC1(CC=CCC1)C 34a_200000074738_200000210301 [1,0,0,1,0,0|2,0,0]=4 3700 B10R1.1 C=C1CCN(CC1)CCO 2230a_100000752442_100000211926 [0,0,0,1,1,0|1,0,1]=4 3701 B10R1.1 C=C1CCN(CC1)CCO 269982a_100000752442_100000211926 [0,0,0,1,1,0|1,0,1]=4 3702 B10R1.1 C=C1CCN(CC1)CCO 34a_100000752442_100000211926 [0,0,0,1,1,0|1,0,1]=4 3703 B10R1.1 CC1=CCN(CC1)CCF 2230a_100000693516_100011217306 [0,0,0,1,1,0|2,0,0]=4 3704 B10R1.1 CC1=CCN(CC1)CCF 269982a_100000693516_100011217306 [0,0,0,1,1,0|2,0,0]=4 3705 B10R1.1 CC1=CCN(CC1)CCF 34a_100000693516_100011217306 [0,0,0,1,1,0|2,0,0]=4 3706 B10R1.1 CC1=CCN(CC1)CCO 2230a_100000693516_100000211926 [0,0,0,1,1,0|1,0,0]=3 3707 B10R1.1 CC1=CCN(CC1)CCO 269982a_100000693516_100000211926 [0,0,0,1,1,0|1,0,0]=3 3708 B10R1.1 CC1=CCN(CC1)CCO 34a_100000693516_100000211926 [0,0,0,1,1,0|1,0,0]=3 3709 B10R1.1 CC1CCN(CC1)CCO 2230a_100000188429_100000211926 [0,0,0,1,1,0|1,0,1]=4 3710 B10R1.1 CC1CCN(CC1)CCO 269982a_100000188429_100000211926 [0,0,0,1,1,0|1,0,1]=4 3711 B10R1.1 CC1CCN(CC1)CCO 34a_100000188429_100000211926 [0,0,0,1,1,0|1,0,1]=4 3712 B10R1.1 CCCC1CCN(CC1)C 2230a_100015355601_200000210301 [0,0,0,1,1,0|2,0,0]=4 3713 B10R1.1 CCCC1CCN(CC1)C 269982a_100015355601_200000210301 [0,0,0,1,1,0|2,0,0]=4 3714 B10R1.1 CCCC1CCN(CC1)C 34a_100015355601_200000210301 [0,0,0,1,1,0|2,0,0]=4 3715 B10R1.1 CCCC1CCN(CC1)[13CH3] 2230a_100015355601_200025704644 [0,0,0,1,1,0|2,0,0]=4 3716 B10R1.1 CCCC1CCN(CC1)[13CH3] 269982a_100015355601_200025704644 [0,0,0,1,1,0|2,0,0]=4 3717 B10R1.1 CCCC1CCN(CC1)[13CH3] 34a_100015355601_200025704644 [0,0,0,1,1,0|2,0,0]=4 3718 B10R1.1 CCCN1CC=C(CC1)C 2230a_100000693516_100000210303 [0,0,0,1,1,0|2,0,0]=4 3719 B10R1.1 CCCN1CC=C(CC1)C 269982a_100000693516_100000210303 [0,0,0,1,1,0|2,0,0]=4 3720 B10R1.1 CCCN1CC=C(CC1)C 34a_100000693516_100000210303 [0,0,0,1,1,0|2,0,0]=4 3721 B10R1.1 CN1CCC(CC1)CCO 2230a_100015190746_200000210301 [0,0,0,1,1,0|1,0,0]=3 3722 B10R1.1 CN1CCC(CC1)CCO 269982a_100015190746_200000210301 [0,0,0,1,1,0|1,0,0]=3 3723 B10R1.1 CN1CCC(CC1)CCO 34a_100015190746_200000210301 [0,0,0,1,1,0|1,0,0]=3 3724 B10R1.1 CN1CCN(CC1)CCO 2230a_100000188432_100000211926 [0,0,0,1,1,0|2,0,0]=4 3725 B10R1.1 CN1CCN(CC1)CCO 2230a_100000210920_200000210301 [0,0,0,1,1,0|2,0,0]=4 3726 B10R1.1 CN1CCN(CC1)CCO 269982a_100000188432_100000211926 [0,0,0,1,1,0|2,0,0]=4 3727 B10R1.1 CN1CCN(CC1)CCO 269982a_100000210920_200000210301 [0,0,0,1,1,0|2,0,0]=4 3728 B10R1.1 [13CH3]N1CCC(CC1)CCO 2230a_100015190746_200025704644 [0,0,0,1,1,0|1,0,0]=3 3729 B10R1.1 [13CH3]N1CCC(CC1)CCO 269982a_100015190746_200025704644 [0,0,0,1,1,0|1,0,0]=3 3730 B10R1.1 [13CH3]N1CCC(CC1)CCO 34a_100015190746_200025704644 [0,0,0,1,1,0|1,0,0]=3 3731 B10R1.1 [13CH3]N1CCN(CC1)CCO 2230a_100000210920_200025704644 [0,0,0,1,1,0|2,0,0]=4 3732 B10R1.1 [13CH3]N1CCN(CC1)CCO 269982a_100000210920_200025704644 [0,0,0,1,1,0|2,0,0]=4 3733 B10R1.82 C=C(C)CCN1CC(C1)O 269982a_100000749847_100000730704 [0,0,0,1,1,0|1,0,1]=4 3734 B10R1.82 C=C(C)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000748629 [0,0,0,1,1,0|1,0,1]=4 3735 B10R1.82 CC(=CCN1CC(C1)C)C 2230a_100000702820_100000761012 [0,0,0,1,1,0|2,0,0]=4 3736 B10R1.82 CC(=CCN1CC(C1)C)C 269982a_100000702820_100000761012 [0,0,0,1,1,0|2,0,0]=4 3737 B10R1.82 CC(=CCN1CC(C1)C)C 34a_100000702820_100000761012 [0,0,0,1,1,0|2,0,0]=4 3738 B10R1.82 CC(=CCN1CC(C1)F)C 2230a_100000690557_100000761012 [0,0,0,1,1,0|2,0,0]=4 3739 B10R1.82 CC(=CCN1CC(C1)F)C 269982a_100000690557_100000761012 [0,0,0,1,1,0|2,0,0]=4 3740 B10R1.82 CC(=CCN1CC(C1)F)C 34a_100000690557_100000761012 [0,0,0,1,1,0|2,0,0]=4 3741 B10R1.82 CC(=CCN1CC(C1)O)C 269982a_100000749847_100000761012 [0,0,0,1,1,0|1,0,0]=3 3742 B10R1.82 CC(=O)CCN1CC(C1)O 269982a_100000749847_100000053229 [0,0,0,1,1,0|2,0,0]=4 3743 B10R1.82 CC(=O)NCC1CC(C1)O 11a_100016992100_100015343762 [0,0,0,1,1,0|2,0,0]=4 3744 B10R1.82 CC(=O)NCC1CC(C1)O 240690a_100016992100_100015343762 [0,0,0,1,1,0|2,0,0]=4 3745 B10R1.82 CC(C)CCN1CC(C1)O 269982a_100000749847_100000210312 [0,0,0,1,1,0|1,0,1]=4 3746 B10R1.82 CC(C)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210760 [0,0,0,1,1,0|1,0,1]=4 3747 B10R1.82 CC(C)CN[C@H]1C[C@@H](C1)O 270004a_100020629032_100000210432 [0,0,0,1,1,0|1,0,1]=4 3748 B10R1.82 CC(C)NCC1CC(C1)O 2230a_100016992100_100000210206 [0,0,0,1,1,0|1,0,1]=4 3749 B10R1.82 CN(C)CCN1CC(C1)O 269982a_100000749847_100000755713 [0,0,0,1,1,0|2,0,0]=4 3750 B10R1.93 CN(C)C1CN(C1)CCO 269982a_100000694738_100000211926 [0,0,0,1,1,0|2,0,0]=4 3751 B10R1.95 CC1(CCN(C1)CCO)C 2230a_100000764714_100000211926 [0,0,0,1,1,0|1,0,1]=4 3752 B10R1.95 CC1(CCN(C1)CCO)C 269982a_100000764714_100000211926 [0,0,0,1,1,0|1,0,1]=4 3753 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,0,0,1,1,0|2,0,0]=4 3754 B10R1.113 CC(=O)C1CN(CCO1)C 1458a_100011543126_200000210301 [0,0,0,1,1,0|2,0,0]=4 3755 B10R1.113 CC(C)C1CN(CCO1)C 2230a_100000697742_200000210301 [0,0,0,1,1,0|1,0,1]=4 3756 B10R1.113 CC(C)C1CN(CCO1)C 269982a_100000697742_200000210301 [0,0,0,1,1,0|1,0,1]=4 3757 B10R1.113 CC(C)C1CN(CCO1)C 34a_100000697742_200000210301 [0,0,0,1,1,0|1,0,1]=4 3758 B10R1.113 CC(C)C1CN(CCO1)[13CH3] 2230a_100000697742_200025704644 [0,0,0,1,1,0|1,0,1]=4 3759 B10R1.113 CC(C)C1CN(CCO1)[13CH3] 269982a_100000697742_200025704644 [0,0,0,1,1,0|1,0,1]=4 3760 B10R1.113 CC(C)C1CN(CCO1)[13CH3] 34a_100000697742_200025704644 [0,0,0,1,1,0|1,0,1]=4 3761 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,0,0,1,1,0|2,0,0]=4 3762 B10R1.113 CC1CCCC(C1)N(C)C 270004a_100102631434_100000183594 [0,0,0,1,1,0|2,0,0]=4 3763 B10R1.113 CN1CCOC(C1)C(=O)[13CH3] 1458a_100011543126_200025704644 [0,0,0,1,1,0|2,0,0]=4 3764 B10R1.140 CC1CN(C1)C(C)CCO 2230a_100000702820_100009893172 [0,0,0,1,1,0|1,0,1]=4 3765 B10R1.140 CC1CN(C1)C(C)CCO 269982a_100000702820_100009893172 [0,0,0,1,1,0|1,0,1]=4 3766 B10R1.140 CC1CN(C1)C(C)CCO 34a_100000702820_100009893172 [0,0,0,1,1,0|1,0,1]=4 3767 B10R1.140 CN(CCO)C1CC(=O)C1 269982a_100000210263_100009894365 [0,0,0,1,1,0|2,0,0]=4 3768 B10R1.211 CC(=CCC(=O)C1CO1)C 1458a_100000701028_100000761012 [0,0,0,1,1,0|1,0,1]=4 3769 B10R1.211 CC(=CCN(C)C1CC1)C 2230a_100000226674_100000761012 [0,0,0,1,1,0|2,0,0]=4 3770 B10R1.211 CC(=CCN(C)C1CC1)C 269982a_100000226674_100000761012 [0,0,0,1,1,0|2,0,0]=4 3771 B10R1.211 CC(C)CNC(C)C1CO1 270004a_100000210953_100000031964 [0,0,0,1,1,0|1,0,1]=4 3772 B12R1.17 CC(CCO)N1CCC[C@@H](C1)C 2230a_100000717927_100009893172 [0,0,0,1,0,1|0,0,2]=4 3773 B12R1.17 CC(CCO)N1CCC[C@@H](C1)C 269982a_100000717927_100009893172 [0,0,0,1,0,1|0,0,2]=4 3774 B12R1.17 CC(CCO)N1CCC[C@@H](C1)C 34a_100000717927_100009893172 [0,0,0,1,0,1|0,0,2]=4 3775 B12R1.17 CC(CCO)N1CCNC(=O)C1 2230a_100000184651_100009893172 [0,0,0,1,0,1|2,0,0]=4 3776 B12R1.17 CC(CCO)N1CCOC(=O)C1 2230a_100000131268_100009893172 [0,0,0,1,0,1|2,0,0]=4 3777 B12R1.17 CC1=CCCN(C1)C(=O)CCO 240690a_100000725631_100011216618 [0,0,0,1,0,1|1,0,1]=4 3778 B12R1.17 CC1=CCCN(C1)C(C)CC#N 2230a_100000725631_100009813641 [0,0,0,1,0,1|1,0,1]=4 3779 B12R1.17 CC1=CCCN(C1)C(C)CC#N 269982a_100000725631_100009813641 [0,0,0,1,0,1|1,0,1]=4 3780 B12R1.17 CC1=CCCN(C1)C(C)CCO 2230a_100000725631_100009893172 [0,0,0,1,0,1|0,0,0]=2 3781 B12R1.17 CC1=CCCN(C1)C(C)CCO 269982a_100000725631_100009893172 [0,0,0,1,0,1|0,0,0]=2 3782 B12R1.17 CC1=CCCN(C1)C(C)CCO 34a_100000725631_100009893172 [0,0,0,1,0,1|0,0,0]=2 3783 B12R1.17 CC1CN(CCO1)C(C)CCO 2230a_100000729577_100009893172 [0,0,0,1,0,1|1,0,1]=4 3784 B12R1.17 CC1CN(CCO1)C(C)CCO 269982a_100000729577_100009893172 [0,0,0,1,0,1|1,0,1]=4 3785 B12R1.17 CC1CN(CCO1)C(C)CCO 34a_100000729577_100009893172 [0,0,0,1,0,1|1,0,1]=4 3786 B12R1.17 CCCC(C)N1CCC=C(C1)C 2230a_100000725631_100000766640 [0,0,0,1,0,1|1,0,0]=3 3787 B12R1.17 CCCC(C)N1CCC=C(C1)C 269982a_100000725631_100000766640 [0,0,0,1,0,1|1,0,0]=3 3788 B12R1.17 CCCC(C)N1CCC=C(C1)C 270004a_100000725631_100000211909 [0,0,0,1,0,1|1,0,0]=3 3789 B12R1.17 CCCC(C)N1CCC=C(C1)C 34a_100000725631_100000766640 [0,0,0,1,0,1|1,0,0]=3 3790 B12R1.17 COCC(C)N1CCC=C(C1)C 2230a_100000725631_100000765312 [0,0,0,1,0,1|2,0,0]=4 3791 B12R1.17 COCC(C)N1CCC=C(C1)C 269982a_100000725631_100000765312 [0,0,0,1,0,1|2,0,0]=4 3792 B12R1.17 COCC(C)N1CCC=C(C1)C 270004a_100000725631_100000749346 [0,0,0,1,0,1|2,0,0]=4 3793 B12R1.17 COCC(C)N1CCC=C(C1)C 34a_100000725631_100000765312 [0,0,0,1,0,1|2,0,0]=4 3794 B12R1.17 CSCC(C)N1CCC=C(C1)C 270004a_100000725631_100011216314 [0,0,0,1,0,1|2,0,0]=4 3795 B12R1.31 CC(CCO)NC1CNC(=O)C1 2230a_100000697751_100009893172 [0,0,0,1,0,1|2,0,0]=4 3796 B12R1.31 CC(CCO)OC1CCC(=O)C1 34a_100012614533_100009893172 [0,0,0,1,0,1|1,0,1]=4 3797 B12R1.31 CC(CCO)OC1CNC(=O)C1 34a_100000690082_100009893172 [0,0,0,1,0,1|2,0,0]=4 3798 B12R1.31 CC(CCO)SC1CCN(C1)C 62a_100009893172_200012183744 [0,0,0,1,0,1|1,0,1]=4 3799 B12R1.31 CC1CCC(C1)N[C@H](C)CCO 270004a_100000706166_100011215218 [0,0,0,1,0,1|0,0,2]=4 3800 B12R1.31 CC1CCC(C1)OC(C)CCO 34a_100000698185_100009893172 [0,0,0,1,0,1|0,0,2]=4 3801 B12R1.130 CC(=CCCN1CCC[C@@H]1C)C 2230a_100020605311_100011217483 [0,0,0,1,0,1|1,0,0]=3 3802 B12R1.130 CC(=CCCN1CCC[C@@H]1C)C 269982a_100020605311_100011217483 [0,0,0,1,0,1|1,0,0]=3 3803 B12R1.130 CC(=CCCN1CCC[C@H]1C)C 2230a_100015189458_100011217483 [0,0,0,1,0,1|1,0,0]=3 3804 B12R1.130 CC(=CCCN1CCC[C@H]1C)C 269982a_100015189458_100011217483 [0,0,0,1,0,1|1,0,0]=3 3805 B12R1.130 CC(=CCCN1CCC[C@H]1C)C 34a_100015189458_100011217483 [0,0,0,1,0,1|1,0,0]=3 3806 B12R1.130 CC(=CCCN1CCSC1C)C 2230a_200011216479_100011217483 [0,0,0,1,0,1|2,0,0]=4 3807 B12R1.130 CC(=CCCN1CCSC1C)C 269982a_200011216479_100011217483 [0,0,0,1,0,1|2,0,0]=4 3808 B12R1.130 CC(=CCCN1CCSC1C)C 34a_200011216479_100011217483 [0,0,0,1,0,1|2,0,0]=4 3809 B12R1.130 CC(=CCNC1CCOC1C)C 270004a_100000718196_100000691750 [0,0,0,1,0,1|2,0,0]=4 3810 B12R1.130 CC(=CCOC1CCCC1C)C 34a_100011216460_100000761012 [0,0,0,1,0,1|1,0,0]=3 3811 B12R1.130 CC(=CCOC1CCCC1C)C 7a_100011216460_100000761012 [0,0,0,1,0,1|1,0,0]=3 3812 B12R1.130 CC(=CCO[C@@H]1CCC[C@H]1Cl)C 34a_200016002552_100000761012 [0,0,0,1,0,1|2,0,0]=4 3813 B12R1.130 CC(=CCO[C@H]1CCC[C@@H]1N)C 34a_100000748460_100000761012 [0,0,0,1,0,1|2,0,0]=4 3814 B12R1.130 CC(=CCO[C@H]1CNC[C@H]1C)C 34a_200015306588_100000761012 [0,0,0,1,0,1|2,0,0]=4 3815 B12R1.130 CC(=CCS[C@@H]1CCC[C@H]1O)C 62a_100000761012_200016002552 [0,0,0,1,0,1|2,0,0]=4 3816 B12R1.130 CC(=CCS[C@@H]1CCC[C@H]1O)C 62a_200016002552_100000761012 [0,0,0,1,0,1|2,0,0]=4 3817 B12R1.175 CC(=CCN1CC(C1)CC#N)C 269982a_206645079572_100000761012 [0,0,0,1,0,1|1,0,1]=4 3818 B12R1.175 CCOC1CN(C1)CC=C(C)C 269982a_100000732654_100000761012 [0,0,0,1,0,1|2,0,0]=4 3819 B12R1.175 CCOC1CN(C1)CC=C(C)C 34a_100000732654_100000761012 [0,0,0,1,0,1|2,0,0]=4 3820 B12R1.175 COCC1CN(C1)CC=C(C)C 2230a_100016993750_100000761012 [0,0,0,1,0,1|2,0,0]=4 3821 B12R1.175 COCC1CN(C1)CC=C(C)C 269982a_100016993750_100000761012 [0,0,0,1,0,1|2,0,0]=4 3822 B12R1.175 COCC1CN(C1)CC=C(C)C 34a_100016993750_100000761012 [0,0,0,1,0,1|2,0,0]=4 3823 B12R1.182 C=C(C)CN1CCC(C1)CCO 2230a_100016987287_100000748629 [0,0,0,1,0,1|0,0,2]=4 3824 B12R1.182 C=C(C)CN1CCC(C1)CCO 269982a_100016987287_100000748629 [0,0,0,1,0,1|0,0,2]=4 3825 B12R1.182 C=C(C)CN1CCC(C1)CCO 34a_100016987287_100000748629 [0,0,0,1,0,1|0,0,2]=4 3826 B12R1.182 CC(C)CN1CCC(C1)CCO 2230a_100016987287_100000210760 [0,0,0,1,0,1|0,0,2]=4 3827 B12R1.182 CC(C)CN1CCC(C1)CCO 269982a_100016987287_100000210624 [0,0,0,1,0,1|0,0,2]=4 3828 B12R1.182 CC(C)CN1CCC(C1)CCO 270004a_100016987287_100000210432 [0,0,0,1,0,1|0,0,2]=4 3829 B12R1.182 CC(C)CN1CCC(C1)CCO 34a_100016987287_100000210624 [0,0,0,1,0,1|0,0,2]=4 3830 B12R1.220 C=C(C)CCNCC1CC(C1)O 2230a_100016992100_100000730704 [0,0,0,1,0,1|0,0,2]=4 3831 B12R1.220 C=C1CC(C1)CNCC=C(C)C 2230a_100102567296_100000761012 [0,0,0,1,0,1|1,0,1]=4 3832 B12R1.220 C=C1CC(C1)CNCC=C(C)C 34a_100102567296_100000761012 [0,0,0,1,0,1|1,0,1]=4 3833 B12R1.220 C=C1CC(C1)COCC=C(C)C 34a_100011011225_100000761012 [0,0,0,1,0,1|1,0,1]=4 3834 B12R1.220 C=C1CC(C1)NCCC=C(C)C 2230a_100132301982_100011217483 [0,0,0,1,0,1|1,0,1]=4 3835 B12R1.220 CC(=CCCNC1CC(C1)F)C 2230a_100016993743_100011217483 [0,0,0,1,0,1|1,0,0]=3 3836 B12R1.220 CC(=CCCN[C@H]1C[C@@H](C1)O)C 2230a_100020629032_100011217483 [0,0,0,1,0,1|0,0,0]=2 3837 B12R1.220 CC(=CCCSC1CC(=O)C1)C 62a_100009894365_100011217483 [0,0,0,1,0,1|0,0,2]=4 3838 B12R1.220 CC(=CCNCC1CC(C1)O)C 2230a_100016992100_100000761012 [0,0,0,1,0,1|0,0,0]=2 3839 B12R1.220 CC(=CCOCC1CC(=O)C1)C 34a_100000101936_100000761012 [0,0,0,1,0,1|0,0,2]=4 3840 B12R1.220 CC(=CCOCC1CC(C1)Cl)C 34a_100009874164_100000761012 [0,0,0,1,0,1|1,0,0]=3 3841 B12R1.220 CC(=CCSCC1CC(=O)C1)C 62a_100000761012_100009874392 [0,0,0,1,0,1|0,0,2]=4 3842 B12R1.220 CC(=CCSCC1CC(=O)C1)C 62a_100009874392_100000761012 [0,0,0,1,0,1|0,0,2]=4 3843 B12R1.220 CC(=O)NCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000189650 [0,0,0,1,0,1|2,0,0]=4 3844 B12R1.220 CC(C)CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011214892 [0,0,0,1,0,1|0,0,2]=4 3845 B12R1.220 CC(C)CCNCC1CC(C1)O 2230a_100016992100_100000210312 [0,0,0,1,0,1|0,0,2]=4 3846 B12R1.220 CC(C)CCNCC1CC(C1)O 269862a_100016992100_100000185833 [0,0,0,1,0,1|0,0,2]=4 3847 B12R1.220 CC(C)OCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000211751 [0,0,0,1,0,1|1,0,1]=4 3848 B12R1.220 CC(C)OCNCC1CC(C1)O 2230a_100016992100_100000709892 [0,0,0,1,0,1|1,0,1]=4 3849 B12R1.220 CC(C)SCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000730970 [0,0,0,1,0,1|1,0,1]=4 3850 B12R1.220 O[C@H]1C[C@@H](C1)NCCC=C(F)F 2230a_100020629032_200009816681 [0,0,0,1,0,1|2,0,0]=4 3851 B12R1.226 CC(=CCN1CCCC(C1)F)C 2230a_100000697950_100000761012 [0,0,0,1,0,1|2,0,0]=4 3852 B12R1.226 CC(=CCN1CCCC(C1)F)C 269982a_100000697950_100000761012 [0,0,0,1,0,1|2,0,0]=4 3853 B12R1.226 CC(=CCN1CCCC(C1)F)C 34a_100000697950_100000761012 [0,0,0,1,0,1|2,0,0]=4 3854 B12R1.226 CC(=CCN1CCCC(C1)O)C 2230a_100000211013_100000761012 [0,0,0,1,0,1|2,0,0]=4 3855 B12R1.226 CC(=CCN1CCCC(C1)O)C 269982a_100000211013_100000761012 [0,0,0,1,0,1|2,0,0]=4 3856 B12R1.226 CC(=CCN1CCC[C@@H](C1)C)C 2230a_100000717927_100000761012 [0,0,0,1,0,1|1,0,0]=3 3857 B12R1.226 CC(=CCN1CCC[C@@H](C1)C)C 269982a_100000717927_100000761012 [0,0,0,1,0,1|1,0,0]=3 3858 B12R1.226 CC(=CCN1CCC[C@@H](C1)C)C 34a_100000717927_100000761012 [0,0,0,1,0,1|1,0,0]=3 3859 B12R1.226 CC(=CCN1CCOC(C1)C)C 2230a_100000729577_100000761012 [0,0,0,1,0,1|2,0,0]=4 3860 B12R1.226 CC(=CCN1CCOC(C1)C)C 269982a_100000729577_100000761012 [0,0,0,1,0,1|2,0,0]=4 3861 B12R1.226 CC(=CCN1CCOC(C1)C)C 34a_100000729577_100000761012 [0,0,0,1,0,1|2,0,0]=4 3862 B12R1.255 C=C(C)CCNCC1CCOC1 2230a_100000737293_100000730704 [0,0,0,1,0,1|0,0,2]=4 3863 B12R1.255 C=C(C)CCNCC1CCOC1 34a_100000737293_100000730704 [0,0,0,1,0,1|0,0,2]=4 3864 B12R1.255 C=C(C)CCOCC1CCOC1 34a_100000740260_100000730704 [0,0,0,1,0,1|0,0,2]=4 3865 B12R1.255 C=C(C)CCOCC1CCOC1 34a_100000764851_100011261433 [0,0,0,1,0,1|0,0,2]=4 3866 B12R1.255 C=C(C)CCSCC1CCOC1 62a_100000702531_100000730704 [0,0,0,1,0,1|0,0,2]=4 3867 B12R1.255 C=C(C)CCSCC1CCOC1 62a_100000730704_100000702531 [0,0,0,1,0,1|0,0,2]=4 3868 B12R1.255 C=C(C)COCCC1CCOC1 34a_100011879284_100000748629 [0,0,0,1,0,1|0,0,2]=4 3869 B12R1.255 CC(=CC=NNC1CCOC1)C 4a_100000690549_100011215525 [0,0,0,1,0,1|1,0,1]=4 3870 B12R1.255 CC(=CCCNC1CC=CC1)C 2230a_100015188752_100011217483 [0,0,0,1,0,1|1,0,1]=4 3871 B12R1.255 CC(=CCCNC1CCCC1)C 2230a_100000211070_100011217483 [0,0,0,1,0,1|1,0,0]=3 3872 B12R1.255 CC(=CCCNC1CCCC1)C 34a_100000211070_100011217483 [0,0,0,1,0,1|1,0,0]=3 3873 B12R1.255 CC(=CCCN[C@@H]1CCOC1)C 2230a_200015188469_100011217483 [0,0,0,1,0,1|0,0,0]=2 3874 B12R1.255 CC(=CCCN[C@H]1CCOC1)C 2230a_100015188467_100011217483 [0,0,0,1,0,1|0,0,0]=2 3875 B12R1.255 CC(=CCCN[C@H]1CCOC1)C 34a_100015188467_100011217483 [0,0,0,1,0,1|0,0,0]=2 3876 B12R1.255 CC(=CCCOC1CCCC1)C 34a_100000210269_100011217483 [0,0,0,1,0,1|1,0,0]=3 3877 B12R1.255 CC(=CCCOC1CCCC1)C 7a_100000210269_100011217483 [0,0,0,1,0,1|1,0,0]=3 3878 B12R1.255 CC(=CCCOC1CCCO1)C 34a_100000085407_100011217483 [0,0,0,1,0,1|2,0,0]=4 3879 B12R1.255 CC(=CCCOC1CCSC1)C 7a_100011232664_100011217483 [0,0,0,1,0,1|0,1,0]=3 3880 B12R1.255 CC(=CCCO[C@H]1CCOC1)C 34a_100000717292_100011217483 [0,0,0,1,0,1|0,0,0]=2 3881 B12R1.255 CC(=CCCSC1CCCC1)C 62a_100011217020_100011217483 [0,0,0,1,0,1|1,0,0]=3 3882 B12R1.255 CC(=CCCSC1CCCC1)C 62a_100011217483_100000179811 [0,0,0,1,0,1|1,0,0]=3 3883 B12R1.255 CC(=CCCSC1CCOC1)C 62a_100011217483_100000690089 [0,0,0,1,0,1|0,0,0]=2 3884 B12R1.255 CC(=CCNCC1CCCC1)C 2230a_100000737975_100000761012 [0,0,0,1,0,1|1,0,0]=3 3885 B12R1.255 CC(=CCNCC1CCCC1)C 34a_100000718196_100000740388 [0,0,0,1,0,1|1,0,0]=3 3886 B12R1.255 CC(=CCNCC1CCCC1)C 34a_100000737975_100000761012 [0,0,0,1,0,1|1,0,0]=3 3887 B12R1.255 CC(=CCNCC1CCOC1)C 2230a_100000737293_100000761012 [0,0,0,1,0,1|0,0,0]=2 3888 B12R1.255 CC(=CCNCC1CCOC1)C 34a_100000718196_100011261433 [0,0,0,1,0,1|0,0,0]=2 3889 B12R1.255 CC(=CCNCC1CCOC1)C 34a_100000737293_100000761012 [0,0,0,1,0,1|0,0,0]=2 3890 B12R1.255 CC(=CCNC[C@@H]1CCCO1)C 2230a_100020590478_100000761012 [0,0,0,1,0,1|2,0,0]=4 3891 B12R1.255 CC(=CCNC[C@@H]1CCCO1)C 34a_100020590478_100000761012 [0,0,0,1,0,1|2,0,0]=4 3892 B12R1.255 CC(=CCOCC1CC=CC1)C 34a_100000688395_100000761012 [0,0,0,1,0,1|1,0,1]=4 3893 B12R1.255 CC(=CCOCC1CCCC1)C 34a_100000742336_100000761012 [0,0,0,1,0,1|1,0,0]=3 3894 B12R1.255 CC(=CCOCC1CCCC1)C 34a_100000753907_100000740388 [0,0,0,1,0,1|1,0,0]=3 3895 B12R1.255 CC(=CCOCC1CCCC1)C 7a_100000742336_100000761012 [0,0,0,1,0,1|1,0,0]=3 3896 B12R1.255 CC(=CCOCC1CCCO1)C 34a_100000210270_100000761012 [0,0,0,1,0,1|2,0,0]=4 3897 B12R1.255 CC(=CCOCC1CCCO1)C 7a_100000210270_100000761012 [0,0,0,1,0,1|2,0,0]=4 3898 B12R1.255 CC(=CCOCC1CCNC1)C 34a_100000748654_100000761012 [0,0,0,1,0,1|1,0,0]=3 3899 B12R1.255 CC(=CCOCC1CCOC1)C 34a_100000740260_100000761012 [0,0,0,1,0,1|0,0,0]=2 3900 B12R1.255 CC(=CCOCC1CCOC1)C 34a_100000753907_100011261433 [0,0,0,1,0,1|0,0,0]=2 3901 B12R1.255 CC(=CCOCC1COCO1)C 34a_100011216627_100000761012 [0,0,0,1,0,1|1,0,0]=3 3902 B12R1.255 CC(=CCOC[C@H]1CCCN1)C 34a_100000745186_100000761012 [0,0,0,1,0,1|2,0,0]=4 3903 B12R1.255 CC(=CCSCC1CCCC1)C 62a_100000740388_100000761012 [0,0,0,1,0,1|1,0,0]=3 3904 B12R1.255 CC(=CCSCC1CCCC1)C 62a_100000761012_100000740388 [0,0,0,1,0,1|1,0,0]=3 3905 B12R1.255 CC(=CCSCC1CCCO1)C 62a_100000203698_100000761012 [0,0,0,1,0,1|2,0,0]=4 3906 B12R1.255 CC(=CCSCC1CCCO1)C 62a_100000761012_100000203698 [0,0,0,1,0,1|2,0,0]=4 3907 B12R1.255 CC(=CCSCC1CCOC1)C 62a_100000702531_100000761012 [0,0,0,1,0,1|0,0,0]=2 3908 B12R1.255 CC(=CCSCC1CCOC1)C 62a_100000761012_100000702531 [0,0,0,1,0,1|0,0,0]=2 3909 B12R1.255 CC(=O)CCCN[C@H]1CCOC1 34a_100015188467_100000685027 [0,0,0,1,0,1|1,0,1]=4 3910 B12R1.255 CC(=O)CCCOC1CCOC1 34a_100000759063_100000690089 [0,0,0,1,0,1|1,0,1]=4 3911 B12R1.255 CC(=O)CCCOC1CCOC1 7a_100000759063_100000731011 [0,0,0,1,0,1|1,0,1]=4 3912 B12R1.255 CC(=O)CCCO[C@H]1CCOC1 34a_100000717292_100000685027 [0,0,0,1,0,1|1,0,1]=4 3913 B12R1.255 CC(=O)CCCSC1CCOC1 62a_100011215641_100000690089 [0,0,0,1,0,1|1,0,1]=4 3914 B12R1.255 CC(=O)CCOCC1CCOC1 34a_100000759926_100011261433 [0,0,0,1,0,1|1,0,1]=4 3915 B12R1.255 CC(=O)CCOCC1CCOC1 7a_100000759926_100000702531 [0,0,0,1,0,1|1,0,1]=4 3916 B12R1.255 CC(=O)CCSCC1CCOC1 62a_100000053229_100000702531 [0,0,0,1,0,1|1,0,1]=4 3917 B12R1.255 CC(=O)CCSCC1CCOC1 62a_100000702531_100000053229 [0,0,0,1,0,1|1,0,1]=4 3918 B12R1.255 CC(=O)NCCNC1CCOC1 2230a_100000209853_100000731011 [0,0,0,1,0,1|2,0,0]=4 3919 B12R1.255 CC(=O)NCCN[C@@H]1CCOC1 2230a_200015188469_100000189650 [0,0,0,1,0,1|2,0,0]=4 3920 B12R1.255 CC(=O)NCCN[C@H]1CCOC1 2230a_100015188467_100000189650 [0,0,0,1,0,1|2,0,0]=4 3921 B12R1.255 CC(=O)NCCOC1CCOC1 34a_100000158858_100000690089 [0,0,0,1,0,1|2,0,0]=4 3922 B12R1.255 CC(=O)NCCSC1CCOC1 62a_100000189650_100000690089 [0,0,0,1,0,1|2,0,0]=4 3923 B12R1.255 CC(=O)OCCN[C@H]1CCOC1 34a_100015188467_100009814007 [0,0,0,1,0,1|2,0,0]=4 3924 B12R1.255 CC(=O)OCCO[C@H]1CCOC1 34a_100000717292_100009814007 [0,0,0,1,0,1|2,0,0]=4 3925 B12R1.255 CC(=O)OCCSC1CCOC1 62a_100009814007_100000690089 [0,0,0,1,0,1|2,0,0]=4 3926 B12R1.255 CC(=O)OCNCC1CCOC1 34a_100000737293_100009813279 [0,0,0,1,0,1|2,0,0]=4 3927 B12R1.255 CC(=O)OCOCC1CCOC1 34a_100000740260_100009813279 [0,0,0,1,0,1|2,0,0]=4 3928 B12R1.255 CC(=O)OCSCC1CCOC1 62a_100000076356_100000702531 [0,0,0,1,0,1|2,0,0]=4 3929 B12R1.255 CC(=O)OCSCC1CCOC1 62a_100000702531_100000076356 [0,0,0,1,0,1|2,0,0]=4 3930 B12R1.255 CC(C)CCCNC1CCOC1 2230a_200000737386_100000731011 [0,0,0,1,0,1|0,0,2]=4 3931 B12R1.255 CC(C)CCCNC1CCOC1 270004a_200000737386_100000752484 [0,0,0,1,0,1|0,0,2]=4 3932 B12R1.255 CC(C)CCCNC1CCOC1 34a_200000737386_100000690089 [0,0,0,1,0,1|0,0,2]=4 3933 B12R1.255 CC(C)CCCN[C@@H]1CCOC1 2230a_200015188469_100011214892 [0,0,0,1,0,1|0,0,2]=4 3934 B12R1.255 CC(C)CCCN[C@H]1CCOC1 2230a_100015188467_100011214892 [0,0,0,1,0,1|0,0,2]=4 3935 B12R1.255 CC(C)CCCN[C@H]1CCOC1 34a_100015188467_100011214892 [0,0,0,1,0,1|0,0,2]=4 3936 B12R1.255 CC(C)CCCOC1CCOC1 34a_100000210774_100000690089 [0,0,0,1,0,1|0,0,2]=4 3937 B12R1.255 CC(C)CCCOC1CCOC1 7a_100000210774_100000731011 [0,0,0,1,0,1|0,0,2]=4 3938 B12R1.255 CC(C)CCCO[C@H]1CCOC1 34a_100000717292_100011214892 [0,0,0,1,0,1|0,0,2]=4 3939 B12R1.255 CC(C)CCCSC1CCOC1 62a_100011214892_100000690089 [0,0,0,1,0,1|0,0,2]=4 3940 B12R1.255 CC(C)CCNCC1CCOC1 2230a_100000737293_100000210312 [0,0,0,1,0,1|0,0,2]=4 3941 B12R1.255 CC(C)CCNCC1CCOC1 269862a_100000737293_100000185833 [0,0,0,1,0,1|0,0,2]=4 3942 B12R1.255 CC(C)CCNCC1CCOC1 34a_100000737293_100000210312 [0,0,0,1,0,1|0,0,2]=4 3943 B12R1.255 CC(C)CCOCC1CCOC1 34a_100000210254_100011261433 [0,0,0,1,0,1|0,0,2]=4 3944 B12R1.255 CC(C)CCOCC1CCOC1 34a_100000740260_100000210312 [0,0,0,1,0,1|0,0,2]=4 3945 B12R1.255 CC(C)CCOCC1CCOC1 7a_100000210254_100000702531 [0,0,0,1,0,1|0,0,2]=4 3946 B12R1.255 CC(C)CCSCC1CCOC1 62a_100000210312_100000702531 [0,0,0,1,0,1|0,0,2]=4 3947 B12R1.255 CC(C)CCSCC1CCOC1 62a_100000702531_100000210312 [0,0,0,1,0,1|0,0,2]=4 3948 B12R1.255 CC(C)COCCC1CCOC1 34a_100011879284_100000210624 [0,0,0,1,0,1|0,0,2]=4 3949 B12R1.255 CC(C)NCCOC1CCOC1 34a_100000224655_100000690089 [0,0,0,1,0,1|1,0,1]=4 3950 B12R1.255 CC(C)OCCNC1CCOC1 2230a_100000701111_100000731011 [0,0,0,1,0,1|1,0,1]=4 3951 B12R1.255 CC(C)OCCNC1CCOC1 270004a_100000701111_100000752484 [0,0,0,1,0,1|1,0,1]=4 3952 B12R1.255 CC(C)OCCNC1CCOC1 34a_100000701111_100000690089 [0,0,0,1,0,1|1,0,1]=4 3953 B12R1.255 CC(C)OCCN[C@@H]1CCOC1 2230a_200015188469_100000211751 [0,0,0,1,0,1|1,0,1]=4 3954 B12R1.255 CC(C)OCCN[C@H]1CCOC1 2230a_100015188467_100000211751 [0,0,0,1,0,1|1,0,1]=4 3955 B12R1.255 CC(C)OCCN[C@H]1CCOC1 34a_100015188467_100000211751 [0,0,0,1,0,1|1,0,1]=4 3956 B12R1.255 CC(C)OCCOC1CCOC1 34a_100000211219_100000690089 [0,0,0,1,0,1|1,0,1]=4 3957 B12R1.255 CC(C)OCCOC1CCOC1 7a_100000211219_100000731011 [0,0,0,1,0,1|1,0,1]=4 3958 B12R1.255 CC(C)OCCO[C@H]1CCOC1 34a_100000717292_100000211751 [0,0,0,1,0,1|1,0,1]=4 3959 B12R1.255 CC(C)OCCSC1CCOC1 62a_100000211751_100000690089 [0,0,0,1,0,1|1,0,1]=4 3960 B12R1.255 CC(C)OCNCC1CCOC1 2230a_100000737293_100000709892 [0,0,0,1,0,1|1,0,1]=4 3961 B12R1.255 CC(C)OCNCC1CCOC1 34a_100000737293_100000709892 [0,0,0,1,0,1|1,0,1]=4 3962 B12R1.255 CC(C)OCOCC1CCOC1 34a_100000740260_100000709892 [0,0,0,1,0,1|1,0,1]=4 3963 B12R1.255 CC(C)OCSCC1CCOC1 62a_100000702531_100000709892 [0,0,0,1,0,1|1,0,1]=4 3964 B12R1.255 CC(C)OCSCC1CCOC1 62a_100000709892_100000702531 [0,0,0,1,0,1|1,0,1]=4 3965 B12R1.255 CC(C)SCCNC1CCOC1 2230a_100000731138_100000731011 [0,0,0,1,0,1|1,0,1]=4 3966 B12R1.255 CC(C)SCCNC1CCOC1 270004a_100000731138_100000752484 [0,0,0,1,0,1|1,0,1]=4 3967 B12R1.255 CC(C)SCCNC1CCOC1 34a_100000731138_100000690089 [0,0,0,1,0,1|1,0,1]=4 3968 B12R1.255 CC(C)SCCN[C@@H]1CCOC1 2230a_200015188469_100000730970 [0,0,0,1,0,1|1,0,1]=4 3969 B12R1.255 CC(C)SCCN[C@H]1CCOC1 2230a_100015188467_100000730970 [0,0,0,1,0,1|1,0,1]=4 3970 B12R1.255 CC(C)SCCN[C@H]1CCOC1 34a_100015188467_100000730970 [0,0,0,1,0,1|1,0,1]=4 3971 B12R1.255 CC(C)SCCOC1CCOC1 34a_200011212901_100000690089 [0,0,0,1,0,1|1,0,1]=4 3972 B12R1.255 CC(C)SCCOC1CCOC1 7a_200011212901_100000731011 [0,0,0,1,0,1|1,0,1]=4 3973 B12R1.255 CC(C)SCCO[C@H]1CCOC1 34a_100000717292_100000730970 [0,0,0,1,0,1|1,0,1]=4 3974 B12R1.255 CC(C)SCCSC1CCOC1 62a_100000730970_100000690089 [0,0,0,1,0,1|1,0,1]=4 3975 B12R1.255 CN(C)CCCNC1CCOC1 270004a_102531767803_100000752484 [0,0,0,1,0,1|1,0,1]=4 3976 B12R1.255 CN(C)CCSCC1CCOC1 62a_100000702531_100000755713 [0,0,0,1,0,1|1,0,1]=4 3977 B12R1.255 FC(=CCCN[C@@H]1CCOC1)F 2230a_200015188469_200009816681 [0,0,0,1,0,1|2,0,0]=4 3978 B12R1.255 FC(=CCCN[C@H]1CCOC1)F 2230a_100015188467_200009816681 [0,0,0,1,0,1|2,0,0]=4 3979 B12R1.255 FC(=CCCN[C@H]1CCOC1)F 34a_100015188467_200009816681 [0,0,0,1,0,1|2,0,0]=4 3980 B12R1.255 FC(=CCCO[C@H]1CCOC1)F 34a_100000717292_200009816681 [0,0,0,1,0,1|2,0,0]=4 3981 B12R1.255 FC(=CCCSC1CCOC1)F 62a_200009816681_100000690089 [0,0,0,1,0,1|2,0,0]=4 3982 B12R1.279 CC(=O)N1CCCC(C1)CCO 240690a_100000752241_100015343762 [0,0,0,1,0,1|1,0,1]=4 3983 B12R1.279 CC(=O)N1CCCC(C1)CCO 527a_100000752241_100103153847 [0,0,0,1,0,1|1,0,1]=4 3984 B12R1.279 CC(C)N1CCCC(C1)CCO 2230a_100000752241_100000210206 [0,0,0,1,0,1|0,0,2]=4 3985 B12R1.279 CC(C)N1CCCC(C1)CCO 269982a_100000752241_100000210206 [0,0,0,1,0,1|0,0,2]=4 3986 B12R1.279 CC(C)N1CCCC(C1)CCO 34a_100000752241_100000210206 [0,0,0,1,0,1|0,0,2]=4 3987 B12R1.310 CC(CCO)OCCNC1CC1 34a_100000738766_100009893172 [0,0,0,1,0,1|1,0,1]=4 3988 B12R1.317 CC(CCO)N1CCCC1(C)C 2230a_100000761399_100009893172 [0,0,0,1,0,1|0,0,2]=4 3989 B12R1.317 CC(CCO)N1CCCC1(C)C 269982a_100000761399_100009893172 [0,0,0,1,0,1|0,0,2]=4 3990 B12R1.317 CC(CCO)N1CCCC1(C)C 34a_100000761399_100009893172 [0,0,0,1,0,1|0,0,2]=4 3991 B12R1.317 CC(CCO)N1CCSC1(C)C 2230a_100011217261_100009893172 [0,0,0,1,0,1|1,0,1]=4 3992 B12R1.317 CC(CCO)N1CCSC1(C)C 269982a_100011217261_100009893172 [0,0,0,1,0,1|1,0,1]=4 3993 B12R1.317 CC(CCO)N1CCSC1(C)C 34a_100011217261_100009893172 [0,0,0,1,0,1|1,0,1]=4 3994 B12R1.467 C=C1CC(C1)CNC(C)CCO 2230a_100102567296_100009893172 [0,0,0,1,0,1|0,0,2]=4 3995 B12R1.467 C=C1CC(C1)CNC(C)CCO 34a_100102567296_100009893172 [0,0,0,1,0,1|0,0,2]=4 3996 B12R1.467 C=C1CC(C1)COC(C)CCO 34a_100011011225_100009893172 [0,0,0,1,0,1|0,0,2]=4 3997 B12R1.467 CC(CCO)OCC1CC(=O)C1 34a_100000101936_100009893172 [0,0,0,1,0,1|1,0,1]=4 3998 B12R1.467 CC(CCO)SCC1CC(=O)C1 62a_100009874392_100009893172 [0,0,0,1,0,1|1,0,1]=4 3999 B12R1.467 CC(CCO)SCC1CC(=O)C1 62a_100009893172_100009874392 [0,0,0,1,0,1|1,0,1]=4 4000 B12R1.467 C[C@H](CCO)NCC1CC(=O)C1 2230a_100000706166_100009874392 [0,0,0,1,0,1|1,0,1]=4 4001 B12R1.1356 CC(=CCCNC(C)C1CC1)C 2230a_100000700016_100011217483 [0,0,0,1,0,1|1,0,0]=3 4002 B12R1.1356 CC(=CCCNC(C)C1CC1)C 34a_100000700016_100011217483 [0,0,0,1,0,1|1,0,0]=3 4003 B12R1.1356 CC(=CCCOC(C)C1CC1)C 34a_100000744524_100011217483 [0,0,0,1,0,1|1,0,0]=3 4004 B12R1.1356 CC(=CCCOC(C)C1CC1)C 7a_100000744524_100011217483 [0,0,0,1,0,1|1,0,0]=3 4005 B12R1.1356 CC(=CCNCC(O)C1CC1)C 2230a_100000751198_100000761012 [0,0,0,1,0,1|2,0,0]=4 4006 B12R1.1356 CC(=CCNCC(O)C1CC1)C 34a_100000751198_100000761012 [0,0,0,1,0,1|2,0,0]=4 4007 B12R1.1356 CC(=CCOC[C@H](N)C1CC1)C 34a_100020623730_100000761012 [0,0,0,1,0,1|2,0,0]=4 4008 B12R1.1356 CC(C)CCCNC(C)C1CO1 270004a_200000737386_100000031964 [0,0,0,1,0,1|0,0,2]=4 4009 B12R1.1356 CC(C)OCCNC(C)C1CO1 270004a_100000701111_100000031964 [0,0,0,1,0,1|1,0,1]=4 4010 B12R1.1356 CC(C)SCCNC(C)C1CO1 270004a_100000731138_100000031964 [0,0,0,1,0,1|1,0,1]=4 4011 B12R1.1356 CC(NCCCN(C)C)C1CO1 270004a_102531767803_100000031964 [0,0,0,1,0,1|1,0,1]=4 4012 B12R1.1572 CC(CCO)OCC1CC1(C)C 34a_100000728257_100009893172 [0,0,0,1,0,1|0,0,2]=4 4013 B12R1.1572 CC(CCO)OCC1CC1(C)C 7a_100000728257_100009893172 [0,0,0,1,0,1|0,0,2]=4 4014 B12R1.1572 CC(CCO)OCC1OC1(C)C 34a_200010283642_100009893172 [0,0,0,1,0,1|1,0,1]=4 4015 B12R1.1572 CC(CCO)OCC1OC1(C)C 7a_200010283642_100009893172 [0,0,0,1,0,1|1,0,1]=4 4016 B12R1.2795 CC(=CCCNC1(CCC1)C)C 2230a_100000692455_100011217483 [0,0,0,1,0,1|1,0,0]=3 4017 B12R1.2795 CC(=CCCNC1(CCC1)C)C 34a_100000692455_100011217483 [0,0,0,1,0,1|1,0,0]=3 4018 B12R1.2795 CC(=CCCNC1(COC1)C)C 2230a_100000732644_100011217483 [0,0,0,1,0,1|2,0,0]=4 4019 B12R1.2795 CC(=CCCOC1(CCC1)C)C 34a_100000759064_100011217483 [0,0,0,1,0,1|1,0,0]=3 4020 B12R1.2795 CC(=CCCOC1(CCC1)C)C 7a_100000759064_100011217483 [0,0,0,1,0,1|1,0,0]=3 4021 B12R1.2795 CC(=CCCOC1(CSC1)C)C 7a_100016018533_100011217483 [0,0,0,1,0,1|2,0,0]=4 4022 B12R1.2795 CC(=CCNCC1(CCC1)C)C 2230a_100000706607_100000761012 [0,0,0,1,0,1|1,0,0]=3 4023 B12R1.2795 CC(=CCNCC1(CCC1)C)C 34a_100000718196_100000726658 [0,0,0,1,0,1|1,0,0]=3 4024 B12R1.2795 CC(=CCNCC1(CCC1)O)C 2230a_100000752638_100000761012 [0,0,0,1,0,1|2,0,0]=4 4025 B12R1.2795 CC(=CCNCC1(COC1)C)C 2230a_100020631278_100000761012 [0,0,0,1,0,1|2,0,0]=4 4026 B12R1.2795 CC(=CCNCC1(COC1)C)C 34a_100000718196_100009817586 [0,0,0,1,0,1|2,0,0]=4 4027 B12R1.2795 CC(=CCOCC1(CCC1)C)C 34a_100000753907_100000726658 [0,0,0,1,0,1|1,0,0]=3 4028 B12R1.2795 CC(=CCOCC1(COC1)C)C 34a_100000753907_100009817586 [0,0,0,1,0,1|2,0,0]=4 4029 B12R1.2795 CC(=CCOCC1(CSC1)C)C 34a_100000732658_100000761012 [0,0,0,1,0,1|2,0,0]=4 4030 B12R1.2795 CC(=CCOCC1(CSC1)C)C 7a_100000732658_100000761012 [0,0,0,1,0,1|2,0,0]=4 4031 B12R1.2795 CC(=CCSCC1(CCC1)C)C 62a_100000726658_100000761012 [0,0,0,1,0,1|1,0,0]=3 4032 B12R1.2795 CC(=CCSCC1(CCC1)C)C 62a_100000761012_100000726658 [0,0,0,1,0,1|1,0,0]=3 4033 B12R1.2795 CC(=CCSCC1(COC1)C)C 62a_100000761012_100009817586 [0,0,0,1,0,1|2,0,0]=4 4034 B12R1.2795 CC(=CCSCC1(COC1)C)C 62a_100009817586_100000761012 [0,0,0,1,0,1|2,0,0]=4 4035 B12R1.260 CC(=CC(=O)CC1CCCC1)C 1458a_100000211388_100000740388 [0,1,0,1,0,0|1,0,1]=4 4036 B12R1.260 CC(=CC(=O)CC1CCOC1)C 1458a_100000211388_100000702531 [0,1,0,1,0,0|0,0,1]=3 4037 B12R1.260 CC(=CC(=O)CC1CCOC1)Cl 1458a_200042562850_100000702531 [0,1,0,1,0,0|1,0,1]=4 4038 B12R1.260 CC(=CC(=O)CC1CCOC1)I 1458a_100025716642_100000702531 [0,1,0,1,0,0|1,0,1]=4 4039 B12R1.260 CC(=CC(=O)N[C@@H]1CCOC1)C 240690a_200015188469_100000211388 [0,1,0,1,0,0|1,0,1]=4 4040 B12R1.260 CC(=CC(=O)N[C@H]1CCOC1)C 11a_100015188467_100000211388 [0,1,0,1,0,0|1,0,1]=4 4041 B12R1.260 CC(=CC(=O)N[C@H]1CCOC1)C 1626a_100015188467_100000211388 [0,1,0,1,0,0|1,0,1]=4 4042 B12R1.260 CC(=CC(=O)N[C@H]1CCOC1)C 240690a_100015188467_100000211388 [0,1,0,1,0,0|1,0,1]=4 4043 B12R1.260 CC(=CC(C)OC1CCCC1)C 34a_100000717055_100000179811 [0,1,0,1,0,0|2,0,0]=4 4044 B12R1.260 CC(=CC(C)OC1CCOC1)C 34a_100000717055_100000690089 [0,1,0,1,0,0|1,0,0]=3 4045 B12R1.1061 CC(=CC(=O)N[C@H]1C[C@@H](C1)O)C 11a_100020629032_100000211388 [0,1,0,1,0,0|1,0,1]=4 4046 B12R1.1061 CC(=CC(=O)N[C@H]1C[C@@H](C1)O)C 1626a_100020629032_100000211388 [0,1,0,1,0,0|1,0,1]=4 4047 B12R1.1061 CC(=CC(=O)N[C@H]1C[C@@H](C1)O)C 240690a_100020629032_100000211388 [0,1,0,1,0,0|1,0,1]=4 4048 B12R1.2686 CC(=CC(=O)CC1(CCC1)C)C 1458a_100000211388_100000726658 [0,1,0,1,0,0|1,0,1]=4 4049 B12R1.105 CC(=CCCN1CCC(C1)O)C 2230a_100011215560_100011217483 [0,1,0,1,0,0|1,0,0]=3 4050 B12R1.105 CC(=CCCN1CCC(C1)O)C 269982a_100011215560_100011217483 [0,1,0,1,0,0|1,0,0]=3 4051 B12R1.105 CC(=CCCN1CC[C@@H](C1)F)C 2230a_100015203821_100011217483 [0,1,0,1,0,0|2,0,0]=4 4052 B12R1.105 CC(=CCCN1CC[C@@H](C1)F)C 269982a_100015203821_100011217483 [0,1,0,1,0,0|2,0,0]=4 4053 B12R1.105 CC(=CCCN1CC[C@@H](C1)F)C 34a_100015203821_100011217483 [0,1,0,1,0,0|2,0,0]=4 4054 B12R1.105 CC(=CCCN1CC[C@H](C1)C)C 2230a_100016987628_100011217483 [0,1,0,1,0,0|2,0,0]=4 4055 B12R1.105 CC(=CCCN1CC[C@H](C1)C)C 269982a_100016987628_100011217483 [0,1,0,1,0,0|2,0,0]=4 4056 B12R1.105 CC(=CCCN1CC[C@H](C1)C)C 34a_100016987628_100011217483 [0,1,0,1,0,0|2,0,0]=4 4057 B12R1.105 CC(=CCNC1CCC(C1)C)C 270004a_100000718196_100011215218 [0,1,0,1,0,0|2,0,0]=4 4058 B12R1.105 CC(=CCNC1CCC(C1)O)C 270004a_100000718196_100012614533 [0,1,0,1,0,0|1,0,0]=3 4059 B12R1.105 CC(=CCN[C@H]1CC[C@H](C1)O)C 2230a_100015195300_100000761012 [0,1,0,1,0,0|1,0,0]=3 4060 B12R1.105 CC(=CCOC1CCC(=O)C1)C 34a_100012614533_100000761012 [0,1,0,1,0,0|1,0,1]=4 4061 B12R1.105 CC(=CCOC1CCC(C1)C)C 34a_100000698185_100000761012 [0,1,0,1,0,0|2,0,0]=4 4062 B12R1.105 CC(=CCSC1CCN(C1)C)C 62a_100000761012_200012183744 [0,1,0,1,0,0|2,0,0]=4 4063 B12R1.1359 CC(=CCCC(C)OC1CC1)C 34a_100102619829_100000211595 [0,1,0,1,0,0|1,0,0]=3 4064 B12R1.1359 CC(=CCCN(C)CC1CC1)C 2230a_100000741881_100011217483 [0,1,0,1,0,0|2,0,0]=4 4065 B12R1.1359 CC(=CCCN(C)CC1CC1)C 269982a_100000741881_100011217483 [0,1,0,1,0,0|2,0,0]=4 4066 B12R1.1359 CC(=CCNC(C)CC1CC1)C 270004a_100000718196_200000686933 [0,1,0,1,0,0|2,0,0]=4 4067 B12R1.1810 CC(=CCCN1CC(C1)(C)C)C 2230a_100000753659_100011217483 [0,1,0,1,0,0|2,0,0]=4 4068 B12R1.1810 CC(=CCCN1CC(C1)(C)C)C 269982a_100000753659_100011217483 [0,1,0,1,0,0|2,0,0]=4 4069 B12R1.1810 CC(=CCCN1CC(C1)(C)F)C 2230a_100000696199_100011217483 [0,1,0,1,0,0|2,0,0]=4 4070 B12R1.1810 CC(=CCCN1CC(C1)(C)F)C 269982a_100000696199_100011217483 [0,1,0,1,0,0|2,0,0]=4 4071 B12R1.1810 CC(=CCCN1CC(C1)(C)O)C 2230a_100000718560_100011217483 [0,1,0,1,0,0|1,0,0]=3 4072 B12R1.1810 CC(=CCCN1CC(C1)(C)O)C 269982a_100000718560_100011217483 [0,1,0,1,0,0|1,0,0]=3 4073 B12R1.1810 CC(=CCCN1CC(C1)(F)F)C 2230a_100000684464_100011217483 [0,1,0,1,0,0|2,0,0]=4 4074 B12R1.1810 CC(=CCCN1CC(C1)(F)F)C 269982a_100000684464_100011217483 [0,1,0,1,0,0|2,0,0]=4 4075 B12R1.1810 CC(=CCNC1CC(C1)(F)F)C 2230a_100000756238_100000761012 [0,1,0,1,0,0|2,0,0]=4 4076 B12R1.1810 CC(=CCNC1CC(C1)(F)F)C 270004a_100000718196_100000144187 [0,1,0,1,0,0|2,0,0]=4 4077 B12R1.1810 CC(=CCNC1CC(C1)(F)F)C 34a_100000718196_100010741680 [0,1,0,1,0,0|2,0,0]=4 4078 B12R1.1810 CC(=CCN[C@H]1C[C@@](C1)(C)O)C 2230a_100121572536_100000761012 [0,1,0,1,0,0|1,0,0]=3 4079 B12R1.1810 CC(=CCOC1CC(C1)(F)F)C 34a_100000144188_100000761012 [0,1,0,1,0,0|2,0,0]=4 4080 B12R1.1810 CC(=CCOC1CC(C1)(F)F)C 34a_100000753907_100010741680 [0,1,0,1,0,0|2,0,0]=4 4081 B12R1.1810 CC(=CCSC1CC(C1)(F)F)C 62a_100010741680_100000761012 [0,1,0,1,0,0|2,0,0]=4 4082 B12R1.3583 CC(=CCNC1(CC1(F)F)C)C 2230a_100032004205_100000761012 [0,1,0,1,0,0|2,0,0]=4 4083 B12R1.81 CC(=CCN1CCC[C@@H]1CO)C 2230a_100000745186_100000761012 [0,1,0,1,0,0|2,0,0]=4 4084 B12R1.81 CC(=CCN1CCC[C@@H]1CO)C 269982a_100000745186_100000761012 [0,1,0,1,0,0|2,0,0]=4 4085 B12R1.81 CC(=CCN1CCC[C@@H]1CO)C 34a_100000745186_100000761012 [0,1,0,1,0,0|2,0,0]=4 4086 B12R1.81 CCC1CCCN1CC=C(C)C 2230a_100000754278_100000761012 [0,1,0,1,0,0|2,0,0]=4 4087 B12R1.81 CCC1CCCN1CC=C(C)C 269982a_100000754278_100000761012 [0,1,0,1,0,0|2,0,0]=4 4088 B12R1.81 CCC1CCCN1CC=C(C)C 34a_100000754278_100000761012 [0,1,0,1,0,0|2,0,0]=4 4089 B12R1.113 CC(=O)N1CCC(CC1)CCO 240690a_100015190746_100015343762 [0,1,0,1,0,0|2,0,0]=4 4090 B12R1.113 CC(=O)N1CCC(CC1)CCO 527a_100015190746_100103153847 [0,1,0,1,0,0|2,0,0]=4 4091 B12R1.113 CC(C)N1CCC(CC1)CCO 2230a_100015190746_100000210206 [0,1,0,1,0,0|1,0,1]=4 4092 B12R1.113 CC(C)N1CCC(CC1)CCO 269982a_100015190746_100000210206 [0,1,0,1,0,0|1,0,1]=4 4093 B12R1.113 CC(C)N1CCC(CC1)CCO 34a_100015190746_100000210206 [0,1,0,1,0,0|1,0,1]=4 4094 B12R1.252 CC(=CCCN1CC=CCC1)C 2230a_100000698166_100011217483 [0,1,0,1,0,0|2,0,0]=4 4095 B12R1.252 CC(=CCCN1CC=CCC1)C 269982a_100000698166_100011217483 [0,1,0,1,0,0|2,0,0]=4 4096 B12R1.252 CC(=CCCN1CC=CCC1)C 34a_100000698166_100011217483 [0,1,0,1,0,0|2,0,0]=4 4097 B12R1.252 CC(=CCCN1CCCOC1)C 2230a_100000131196_100011217483 [0,1,0,1,0,0|1,0,0]=3 4098 B12R1.252 CC(=CCCN1CCCOC1)C 269982a_100000131196_100011217483 [0,1,0,1,0,0|1,0,0]=3 4099 B12R1.252 CC(=CCCN1CCCOC1)C 34a_100000131196_100011217483 [0,1,0,1,0,0|1,0,0]=3 4100 B12R1.252 CC(=CCCN1CCOCC1)C 2230a_100015191051_100011217483 [0,1,0,1,0,0|1,0,0]=3 4101 B12R1.252 CC(=CCCN1CCOCC1)C 269982a_100015191051_100011217483 [0,1,0,1,0,0|1,0,0]=3 4102 B12R1.252 CC(=CCCN1CCOCC1)C 34a_100015191051_100011217483 [0,1,0,1,0,0|1,0,0]=3 4103 B12R1.252 CC(=CCCN1CCSCC1)C 2230a_100000737611_100011217483 [0,1,0,1,0,0|1,1,0]=4 4104 B12R1.252 CC(=CCCN1CCSCC1)C 269982a_100000737611_100011217483 [0,1,0,1,0,0|1,1,0]=4 4105 B12R1.252 CC(=CCNC1CCCCC1)C 2230a_100000182618_100000761012 [0,1,0,1,0,0|2,0,0]=4 4106 B12R1.252 CC(=CCNC1CCCCC1)C 270004a_100000718196_100000210434 [0,1,0,1,0,0|2,0,0]=4 4107 B12R1.252 CC(=CCNC1CCCCC1)C 34a_100000182618_100000761012 [0,1,0,1,0,0|2,0,0]=4 4108 B12R1.252 CC(=CCNC1CCCCC1)C 34a_100000718196_100000210327 [0,1,0,1,0,0|2,0,0]=4 4109 B12R1.252 CC(=CCNC1CCCOC1)C 2230a_100000719290_100000761012 [0,1,0,1,0,0|1,0,0]=3 4110 B12R1.252 CC(=CCNC1CCCOC1)C 270004a_100000718196_100000753404 [0,1,0,1,0,0|1,0,0]=3 4111 B12R1.252 CC(=CCNC1CCCOC1)C 34a_100000718196_100000693364 [0,1,0,1,0,0|1,0,0]=3 4112 B12R1.252 CC(=CCNC1CCCOC1)C 34a_100000719290_100000761012 [0,1,0,1,0,0|1,0,0]=3 4113 B12R1.252 CC(=CCNC1CCCSC1)C 270004a_100000718196_100000057913 [0,1,0,1,0,0|1,1,0]=4 4114 B12R1.252 CC(=CCNC1CCNCC1)C 270004a_100000718196_100015192401 [0,1,0,1,0,0|2,0,0]=4 4115 B12R1.252 CC(=CCNC1CCOCC1)C 2230a_100000741149_100000761012 [0,1,0,1,0,0|1,0,0]=3 4116 B12R1.252 CC(=CCNC1CCOCC1)C 270004a_100000718196_100011217826 [0,1,0,1,0,0|1,0,0]=3 4117 B12R1.252 CC(=CCNC1CCOCC1)C 34a_100000741149_100000761012 [0,1,0,1,0,0|1,0,0]=3 4118 B12R1.252 CC(=CCNC1CCSCC1)C 2230a_100000748639_100000761012 [0,1,0,1,0,0|1,1,0]=4 4119 B12R1.252 CC(=CCNC1CCSCC1)C 270004a_100000718196_100000203788 [0,1,0,1,0,0|1,1,0]=4 4120 B12R1.252 CC(=CCNC1CCSCC1)C 34a_100000718196_100000069128 [0,1,0,1,0,0|1,1,0]=4 4121 B12R1.252 CC(=CCNC1CCSCC1)C 34a_100000748639_100000761012 [0,1,0,1,0,0|1,1,0]=4 4122 B12R1.252 CC(=CCOC1CC=CCC1)C 34a_100000073881_100000761012 [0,1,0,1,0,0|2,0,0]=4 4123 B12R1.252 CC(=CCOC1CCCCC1)C 34a_100000210231_100000761012 [0,1,0,1,0,0|2,0,0]=4 4124 B12R1.252 CC(=CCOC1CCCCC1)C 34a_100000753907_100000210327 [0,1,0,1,0,0|2,0,0]=4 4125 B12R1.252 CC(=CCOC1CCCCC1)C 7a_100000210231_100000761012 [0,1,0,1,0,0|2,0,0]=4 4126 B12R1.252 CC(=CCOC1CCCCO1)C 34a_100000033831_100000761012 [0,1,0,1,0,0|2,0,0]=4 4127 B12R1.252 CC(=CCOC1CCCOC1)C 34a_100000753907_100000693364 [0,1,0,1,0,0|1,0,0]=3 4128 B12R1.252 CC(=CCOC1CCCOC1)C 34a_100000754041_100000761012 [0,1,0,1,0,0|1,0,0]=3 4129 B12R1.252 CC(=CCOC1CCCSC1)C 7a_100015962668_100000761012 [0,1,0,1,0,0|1,1,0]=4 4130 B12R1.252 CC(=CCOC1CCOCC1)C 34a_100000744328_100000761012 [0,1,0,1,0,0|1,0,0]=3 4131 B12R1.252 CC(=CCOC1CCSCC1)C 34a_100000731022_100000761012 [0,1,0,1,0,0|1,1,0]=4 4132 B12R1.252 CC(=CCOC1CCSCC1)C 34a_100000753907_100000069128 [0,1,0,1,0,0|1,1,0]=4 4133 B12R1.252 CC(=CCOC1CCSCC1)C 7a_100000731022_100000761012 [0,1,0,1,0,0|1,1,0]=4 4134 B12R1.252 CC(=CCSC1CCCCC1)C 62a_100000210327_100000761012 [0,1,0,1,0,0|2,0,0]=4 4135 B12R1.252 CC(=CCSC1CCCCC1)C 62a_100000761012_100000210327 [0,1,0,1,0,0|2,0,0]=4 4136 B12R1.252 CC(=CCSC1CCCOC1)C 62a_100000761012_100000693364 [0,1,0,1,0,0|1,0,0]=3 4137 B12R1.252 CC(=CCSC1CCOCC1)C 62a_100000761012_100011324220 [0,1,0,1,0,0|1,0,0]=3 4138 B12R1.252 CC(=CCSC1CCSCC1)C 62a_100000761012_100000069128 [0,1,0,1,0,0|1,1,0]=4 4139 B12R1.252 CC(=O)NCCC1CCOCC1 11a_100000755988_100015343762 [0,1,0,1,0,0|2,0,0]=4 4140 B12R1.252 CC(=O)NCCC1CCOCC1 1626a_100000755988_100015343762 [0,1,0,1,0,0|2,0,0]=4 4141 B12R1.252 CC(=O)NCCC1CCOCC1 240690a_100000755988_100015343762 [0,1,0,1,0,0|2,0,0]=4 4142 B12R1.252 CC(=O)NCCC1CCOCC1 527a_100000755988_100103153847 [0,1,0,1,0,0|2,0,0]=4 4143 B12R1.252 CC(C)NCCC1CCOCC1 2230a_100000755988_100000210206 [0,1,0,1,0,0|1,0,1]=4 4144 B12R1.252 CC(C)NCCC1CCOCC1 2230a_100138425928_100011934994 [0,1,0,1,0,0|1,0,1]=4 4145 B12R1.252 CC(C)NCCC1CCOCC1 34a_100000755988_100000210206 [0,1,0,1,0,0|1,0,1]=4 4146 B12R1.252 CC(C)NCCC1CCOCC1 34a_100138425928_100011934994 [0,1,0,1,0,0|1,0,1]=4 4147 B12R1.252 CC(C)OCCC1CCOCC1 34a_100000212225_100011934994 [0,1,0,1,0,0|1,0,1]=4 4148 B12R1.252 CC(C)OCCC1CCOCC1 34a_100011933979_100000210206 [0,1,0,1,0,0|1,0,1]=4 4149 B12R1.252 CC(C)OCCC1CCOCC1 7a_100011933979_100000210206 [0,1,0,1,0,0|1,0,1]=4 4150 B12R1.252 CC(C)SCCC1CCOCC1 62a_100000210206_100011934994 [0,1,0,1,0,0|1,0,1]=4 4151 B12R1.252 CC(C)SCCC1CCOCC1 62a_100011934994_100000210206 [0,1,0,1,0,0|1,0,1]=4 4152 B12R1.1222 CC(=CCCN1C[C@@H]([C@@H]1C)O)C 2230a_206633788156_100011217483 [0,1,0,1,0,0|1,0,0]=3 4153 B12R1.1222 CC(=CCCN1C[C@@H]([C@@H]1C)O)C 269982a_206633788156_100011217483 [0,1,0,1,0,0|1,0,0]=3 4154 B12R1.1474 CCCC1(CC1)NCC=C(C)C 2230a_100015185929_100000761012 [0,1,0,1,0,0|2,0,0]=4 4155 B12R1.2372 CC(=CCNC1(CCC1)CO)C 2230a_100016993734_100000761012 [0,1,0,1,0,0|2,0,0]=4 4156 B12R1.3756 CC(=CCN[C@@H](CO)C1CC1)C 2230a_100020623730_100000761012 [0,1,0,1,0,0|2,0,0]=4 4157 B12R1.3756 CC(=CCN[C@@H](CO)C1CC1)C 34a_100020623730_100000761012 [0,1,0,1,0,0|2,0,0]=4 4158 B12R1.3756 CC(=CCOC(CN)C1CC1)C 34a_100000751198_100000761012 [0,1,0,1,0,0|2,0,0]=4 4159 B12R1.3756 CCC(NCC=C(C)C)C1CC1 2230a_100025715781_100000761012 [0,1,0,1,0,0|2,0,0]=4 4160 B12R1.3756 CCC(NCC=C(C)C)C1CC1 34a_100025715781_100000761012 [0,1,0,1,0,0|2,0,0]=4 4161 B12R1.3756 CCC(OCC=C(C)C)C1CC1 34a_100011351122_100000761012 [0,1,0,1,0,0|2,0,0]=4 4162 B12R1.3756 CCC(OCC=C(C)C)C1CC1 7a_100011351122_100000761012 [0,1,0,1,0,0|2,0,0]=4 4163 B12R1.3756 CCN(CCC=C(C)C)C1CC1 2230a_100000738653_100011217483 [0,1,0,1,0,0|2,0,0]=4 4164 B12R1.3756 CCN(CCC=C(C)C)C1CC1 269982a_100000738653_100011217483 [0,1,0,1,0,0|2,0,0]=4 4165 B12R1.16 CC1=CCC(CC1)C(=O)CCO 1458a_100000137427_100000211926 [0,1,0,1,0,0|1,0,1]=4 4166 B12R1.16 CC1=CCN(CC1)C(C)CCO 2230a_100000693516_100009893172 [0,1,0,1,0,0|1,0,0]=3 4167 B12R1.16 CC1=CCN(CC1)C(C)CCO 269982a_100000693516_100009893172 [0,1,0,1,0,0|1,0,0]=3 4168 B12R1.16 CC1=CCN(CC1)C(C)CCO 34a_100000693516_100009893172 [0,1,0,1,0,0|1,0,0]=3 4169 B12R1.16 CCCC(C)N1CC=C(CC1)C 2230a_100000693516_100000766640 [0,1,0,1,0,0|2,0,0]=4 4170 B12R1.16 CCCC(C)N1CC=C(CC1)C 269982a_100000693516_100000766640 [0,1,0,1,0,0|2,0,0]=4 4171 B12R1.16 CCCC(C)N1CC=C(CC1)C 270004a_100000693516_100000211909 [0,1,0,1,0,0|2,0,0]=4 4172 B12R1.16 CCCC(C)N1CC=C(CC1)C 34a_100000693516_100000766640 [0,1,0,1,0,0|2,0,0]=4 4173 B12R1.16 CCNC(C)C1CC=C(CC1)C 269862a_100015525214_100000073480 [0,1,0,1,0,0|2,0,0]=4 4174 B12R1.16 CCNC(C)C1CC=C(CC1)C 270004a_100015525214_100000073480 [0,1,0,1,0,0|2,0,0]=4 4175 B12R1.54 CC(=CCC(=O)C1CCCC1)C 1458a_100000210718_100000761012 [0,1,0,1,0,0|1,0,1]=4 4176 B12R1.54 CC(=CCC(=O)C1CCCC1)C 1458a_100011220947_100000179811 [0,1,0,1,0,0|1,0,1]=4 4177 B12R1.54 CC(=CCC(=O)C1CCOC1)C 1458a_100011219752_100000761012 [0,1,0,1,0,0|0,0,1]=3 4178 B12R1.54 CC(=CCC(=O)C1CCOC1)C 1458a_100011220947_100000690089 [0,1,0,1,0,0|0,0,1]=3 4179 B12R1.54 CC(=CCN(C)C1CCCC1)C 2230a_100000207505_100000761012 [0,1,0,1,0,0|2,0,0]=4 4180 B12R1.54 CC(=CCN(C)C1CCCC1)C 269982a_100000207505_100000761012 [0,1,0,1,0,0|2,0,0]=4 4181 B12R1.54 CC(=CCN(C)C1CCCC1)C 34a_100000207505_100000761012 [0,1,0,1,0,0|2,0,0]=4 4182 B12R1.54 CC(=CCN(C)C1CCOC1)C 2230a_100016988252_100000761012 [0,1,0,1,0,0|1,0,0]=3 4183 B12R1.54 CC(=CCN(C)C1CCOC1)C 269982a_100016988252_100000761012 [0,1,0,1,0,0|1,0,0]=3 4184 B12R1.54 CC(=CCN(C)C1CCOC1)C 34a_100016988252_100000761012 [0,1,0,1,0,0|1,0,0]=3 4185 B12R1.125 CC(=CCN1CCCCC1C)C 2230a_100000211376_100000761012 [0,1,0,1,0,0|2,0,0]=4 4186 B12R1.125 CC(=CCN1CCCCC1C)C 269982a_100000211376_100000761012 [0,1,0,1,0,0|2,0,0]=4 4187 B12R1.125 CC(=CCN1CCCCC1C)C 34a_100000211376_100000761012 [0,1,0,1,0,0|2,0,0]=4 4188 B12R1.125 CC(=CCN1CCOC[C@@H]1C)C 2230a_100009815349_100000761012 [0,1,0,1,0,0|2,0,0]=4 4189 B12R1.125 CC(=CCN1CCOC[C@@H]1C)C 269982a_100009815349_100000761012 [0,1,0,1,0,0|2,0,0]=4 4190 B12R1.125 CC(=CCN1CCOC[C@@H]1C)C 34a_100009815349_100000761012 [0,1,0,1,0,0|2,0,0]=4 4191 B12R1.221 CC(=CCC(=O)C1CC(C1)C)C 1458a_100000686124_100000761012 [0,1,0,1,0,0|1,0,1]=4 4192 B12R1.221 CC(=CCC(=O)C1CC(C1)F)C 1458a_100000062598_100000761012 [0,1,0,1,0,0|1,0,1]=4 4193 B12R1.221 CC(=CCC(=O)N1CC(C1)O)C 11a_100000749847_100011220947 [0,1,0,1,0,0|1,0,1]=4 4194 B12R1.221 CC(=CCC(=O)N1CC(C1)O)C 240690a_100000749847_100011220947 [0,1,0,1,0,0|1,0,1]=4 4195 B12R1.221 CC(=CCC(=O)N1CC(C1)O)C 527a_100000749847_100011220947 [0,1,0,1,0,0|1,0,1]=4 4196 B12R1.221 CC(=CCC(=O)[C@H]1C[C@H](C1)O)C 1458a_100015266633_100000761012 [0,1,0,1,0,0|0,0,1]=3 4197 B12R1.397 CCC1CC1C(=O)CC=C(C)C 1458a_200011661523_100000761012 [0,1,0,1,0,0|1,0,1]=4 4198 B12R1.2243 CC(=CCC(=O)C1(CCC1)C)C 1458a_100000684636_100000761012 [0,1,0,1,0,0|1,0,1]=4 4199 B12R1.924 CC(=CCN1CCCC1(C)C)C 2230a_100000761399_100000761012 [0,1,0,1,0,0|2,0,0]=4 4200 B12R1.924 CC(=CCN1CCCC1(C)C)C 269982a_100000761399_100000761012 [0,1,0,1,0,0|2,0,0]=4 4201 B12R1.924 CC(=CCN1CCCC1(C)C)C 34a_100000761399_100000761012 [0,1,0,1,0,0|2,0,0]=4 4202 B12R1.1348 CC(=CCNC(C)(C)C1CC1)C 2230a_100000695267_100000761012 [0,1,0,1,0,0|2,0,0]=4 4203 B12R1.1809 CC(=CCNC1(CCOC1)C)C 2230a_100000693475_100000761012 [0,1,0,1,0,0|1,0,0]=3 4204 B12R1.1809 CC(=CCOC1(CCCC1)C)C 34a_100000751722_100000761012 [0,1,0,1,0,0|2,0,0]=4 4205 B12R1.1809 CC(=CCOC1(CCCC1)C)C 7a_100000751722_100000761012 [0,1,0,1,0,0|2,0,0]=4 4206 B12R1.1809 CC(=O)CCCC1(OCCO1)C 1458a_100000070787_100000037737 [0,1,0,1,0,0|1,0,1]=4 4207 B12R1.1809 CC(=O)NCCC1(OCCO1)C 1626a_100000073055_100015343762 [0,1,0,1,0,0|2,0,0]=4 4208 B12R1.1809 CC(=O)NCCC1(OCCO1)C 240690a_100000073055_100015343762 [0,1,0,1,0,0|2,0,0]=4 4209 B12R1.1809 CC(=O)NCCC1(OCCO1)C 527a_100000073055_100103153847 [0,1,0,1,0,0|2,0,0]=4 4210 B12R1.1809 CC(C)NCCC1(OCCO1)C 2230a_100000073055_100000210206 [0,1,0,1,0,0|1,0,1]=4 4211 B12R1.1809 CC(C)NCCC1(OCCO1)C 2230a_100138425928_100000758764 [0,1,0,1,0,0|1,0,1]=4 4212 B12R1.1809 CC(C)NCCC1(OCCO1)C 34a_100138425928_100000758764 [0,1,0,1,0,0|1,0,1]=4 4213 B12R1.1809 CC(C)OCCC1(OCCO1)C 34a_100000212225_100000758764 [0,1,0,1,0,0|1,0,1]=4 4214 B12R1.1809 CC(C)OCCC1(OCCO1)C 7a_100009861814_100000210206 [0,1,0,1,0,0|1,0,1]=4 4215 B12R1.1809 CC(C)SCCC1(OCCO1)C 62a_100000210206_100000758764 [0,1,0,1,0,0|1,0,1]=4 4216 B12R1.1809 CC(C)SCCC1(OCCO1)C 62a_100000758764_100000210206 [0,1,0,1,0,0|1,0,1]=4 4217 B12R1.1809 CN(C)CCCC1(OCCO1)C 2230a_100102631434_100000037737 [0,1,0,1,0,0|1,0,1]=4 4218 B12R1.1809 CN(C)CCCC1(OCCO1)C 269982a_100102631434_100000037737 [0,1,0,1,0,0|1,0,1]=4 4219 B12R1.225 CC(C)C(=O)C1CN(CCO1)C 1458a_100011543126_100000210206 [0,1,0,1,0,0|1,0,1]=4 4220 B12R1.225 CC1CCCC(C1)C(=O)C(C)C 1458a_100011215569_100000210206 [0,1,0,1,0,0|1,0,1]=4 4221 B12R1.225 CC1CCCC(C1)C(=O)N(C)C 11a_100102631434_100011215569 [0,1,0,1,0,0|2,0,0]=4 4222 B12R1.225 CC1CCCC(C1)C(=O)N(C)C 1626a_100102631434_100011215569 [0,1,0,1,0,0|2,0,0]=4 4223 B12R1.225 CC1CCCC(C1)C(=O)N(C)C 240690a_100102631434_100011215569 [0,1,0,1,0,0|2,0,0]=4 4224 B12R1.225 CC1CCCC(C1)C(=O)N(C)C 527a_100102631434_100011215569 [0,1,0,1,0,0|2,0,0]=4 4225 B12R1.225 CN1CCOC(C1)C(=O)N(C)C 11a_100102631434_100011543126 [0,1,0,1,0,0|2,0,0]=4 4226 B12R1.225 CN1CCOC(C1)C(=O)N(C)C 240690a_100102631434_100011543126 [0,1,0,1,0,0|2,0,0]=4 4227 B12R1.225 CN1CCOC(C1)C(=O)N(C)C 527a_100102631434_100011543126 [0,1,0,1,0,0|2,0,0]=4 4228 B12R1.264 C=C(C)C(=O)CCC1CCCC1 1458a_100000185857_100000760354 [0,1,0,1,0,0|1,0,1]=4 4229 B12R1.264 C=C(C)C(=O)NCC1CCOC1 11a_100000737293_100000185857 [0,1,0,1,0,0|1,0,1]=4 4230 B12R1.264 C=C(C)C(=O)NCC1CCOC1 1626a_100000737293_100000185857 [0,1,0,1,0,0|1,0,1]=4 4231 B12R1.264 CC(=O)C(=O)CN[C@H]1CCOC1 34a_100015188467_100011261029 [0,1,0,1,0,0|2,0,0]=4 4232 B12R1.264 CC(=O)C(=O)CO[C@H]1CCOC1 34a_100000717292_100011261029 [0,1,0,1,0,0|2,0,0]=4 4233 B12R1.264 CC(=O)C(=O)CSC1CCOC1 62a_100011261029_100000690089 [0,1,0,1,0,0|2,0,0]=4 4234 B12R1.264 CC(C)C(=O)CCC1CCCC1 1458a_100000210198_100000760354 [0,1,0,1,0,0|1,0,1]=4 4235 B12R1.264 CC(C)C(=O)CCC1CCCC1 1458a_100000211120_100000210206 [0,1,0,1,0,0|1,0,1]=4 4236 B12R1.264 CC(C)C(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000753385 [0,1,0,1,0,0|1,0,1]=4 4237 B12R1.264 CC(C)C(=O)CN[C@H]1CCOC1 2230a_100015188467_100000753385 [0,1,0,1,0,0|1,0,1]=4 4238 B12R1.264 CC(C)C(=O)CN[C@H]1CCOC1 34a_100015188467_100000753385 [0,1,0,1,0,0|1,0,1]=4 4239 B12R1.264 CC(C)C(=O)CO[C@H]1CCOC1 34a_100000717292_100000753385 [0,1,0,1,0,0|1,0,1]=4 4240 B12R1.264 CC(C)C(=O)CSC1CCOC1 62a_100000753385_100000690089 [0,1,0,1,0,0|1,0,1]=4 4241 B12R1.264 CC(C)C(=O)NCC1CCOC1 11a_100000737293_100000210198 [0,1,0,1,0,0|1,0,1]=4 4242 B12R1.264 CC(C)C(=O)NCC1CCOC1 1626a_100000737293_100000210198 [0,1,0,1,0,0|1,0,1]=4 4243 B12R1.264 CC(C)C(=O)NCC1CCOC1 240690a_100000737293_100000210198 [0,1,0,1,0,0|1,0,1]=4 4244 B12R1.264 CC(C)C(=O)NCC1CCOC1 527a_100000737293_100000210198 [0,1,0,1,0,0|1,0,1]=4 4245 B12R1.264 CN(C)C(=O)CCC1CCCC1 11a_100102631434_100000211120 [0,1,0,1,0,0|2,0,0]=4 4246 B12R1.264 CN(C)C(=O)CCC1CCCC1 1626a_100102631434_100000211120 [0,1,0,1,0,0|2,0,0]=4 4247 B12R1.264 CN(C)C(=O)CCC1CCCC1 240690a_100102631434_100000211120 [0,1,0,1,0,0|2,0,0]=4 4248 B12R1.264 CN(C)C(=O)CCC1CCCC1 527a_100102631434_100000211120 [0,1,0,1,0,0|2,0,0]=4 4249 B12R1.264 CN(C)C(=O)CNC1CCOC1 2230a_100015183351_100000731011 [0,1,0,1,0,0|2,0,0]=4 4250 B12R1.264 CN(C)C(=O)CNC1CCOC1 270004a_100015183351_100000752484 [0,1,0,1,0,0|2,0,0]=4 4251 B12R1.264 CN(C)C(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000185267 [0,1,0,1,0,0|2,0,0]=4 4252 B12R1.264 CN(C)C(=O)CN[C@H]1CCOC1 2230a_100015188467_100000185267 [0,1,0,1,0,0|2,0,0]=4 4253 B12R1.264 CN(C)C(=O)CN[C@H]1CCOC1 34a_100015188467_100000692301 [0,1,0,1,0,0|2,0,0]=4 4254 B12R1.264 CN(C)C(=O)CO[C@H]1CCOC1 34a_100000717292_100000692301 [0,1,0,1,0,0|2,0,0]=4 4255 B12R1.264 CN(C)C(=O)CSC1CCOC1 62a_100000692301_100000690089 [0,1,0,1,0,0|2,0,0]=4 4256 B12R1.264 CN(C)C(=O)NCC1CCOC1 2708a_100000737293_100102631434 [0,1,0,1,0,0|2,0,0]=4 4257 B12R1.686 CC(CCO)OCC(=O)C1CC1 34a_100000686663_100009893172 [0,1,0,1,0,0|1,0,1]=4 4258 B12R1.686 CC(CCO)SCC(=O)C1CC1 62a_100000746382_100009893172 [0,1,0,1,0,0|1,0,1]=4 4259 B12R1.686 CC(CCO)SCC(=O)C1CC1 62a_100009893172_100000746382 [0,1,0,1,0,0|1,0,1]=4 4260 B12R1.686 C[C@H](CCO)NCC(=O)C1CC1 2230a_100000706166_100000746382 [0,1,0,1,0,0|1,0,1]=4 4261 B12R1.686 C[C@H](CCO)NCC(=O)C1CC1 34a_100000706166_100000746382 [0,1,0,1,0,0|1,0,1]=4 4262 B12R1.824 CN(C)C(=O)C1CN(C1)CCO 34a_100015411772_100000211926 [0,1,0,1,0,0|2,0,0]=4 4263 B12R1.1039 C=C(C)C(=O)NCC1CC(C1)O 11a_100016992100_100000185857 [0,1,0,1,0,0|1,0,1]=4 4264 B12R1.1039 CC(C)C(=O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000753385 [0,1,0,1,0,0|1,0,1]=4 4265 B12R1.1039 CC(C)C(=O)NCC1CC(C1)O 11a_100016992100_100000210198 [0,1,0,1,0,0|1,0,1]=4 4266 B12R1.1039 CC(C)C(=O)NCC1CC(C1)O 240690a_100016992100_100000210198 [0,1,0,1,0,0|1,0,1]=4 4267 B12R1.1039 CN(C)C(=O)CCN1CC(C1)O 269982a_100000749847_100000737620 [0,1,0,1,0,0|2,0,0]=4 4268 B12R1.1039 CN(C)C(=O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000185267 [0,1,0,1,0,0|2,0,0]=4 4269 B12R1.1039 CN(C)C(=O)NCC1CC(C1)O 2708a_100016992100_100102631434 [0,1,0,1,0,0|2,0,0]=4 4270 B12R1.1096 CN1CCN(CCC1=O)CCO 2230a_100020591582_100000211926 [0,1,0,1,0,0|2,0,0]=4 4271 B12R1.1096 CN1CCN(CCC1=O)CCO 269982a_100020591582_100000211926 [0,1,0,1,0,0|2,0,0]=4 4272 B12R1.1096 CN1CCN(CCC1=O)CCO 34a_100020591582_100000211926 [0,1,0,1,0,0|2,0,0]=4 4273 B12R1.1360 CC(NCC(=O)N(C)C)C1CO1 270004a_100015183351_100000031964 [0,1,0,1,0,0|2,0,0]=4 4274 B12R1.1357 CC(=CCCC(=O)C1CCO1)C 1458a_100000089072_100011217483 [0,1,0,1,0,0|1,0,1]=4 4275 B12R1.1357 CC(=CCCC(=O)C1COC1)C 1458a_100000758290_100011217483 [0,1,0,1,0,0|1,0,1]=4 4276 B12R1.1357 CC(=CCCN(C)C1CCC1)C 2230a_100000758072_100011217483 [0,1,0,1,0,0|2,0,0]=4 4277 B12R1.1357 CC(=CCCN(C)C1CCC1)C 269982a_100000758072_100011217483 [0,1,0,1,0,0|2,0,0]=4 4278 B12R1.1357 CC(=CCCN(C)C1CCC1)C 34a_100000758072_100011217483 [0,1,0,1,0,0|2,0,0]=4 4279 B12R1.1357 CC(=CCCN(C)C1COC1)C 2230a_100102693430_100011217483 [0,1,0,1,0,0|1,0,0]=3 4280 B12R1.1357 CC(=CCCN(C)C1COC1)C 269982a_100102693430_100011217483 [0,1,0,1,0,0|1,0,0]=3 4281 B12R1.1357 CC(=CCNC(C)C1CCC1)C 2230a_100016994624_100000761012 [0,1,0,1,0,0|2,0,0]=4 4282 B12R1.1357 CC(=CCNC(C)C1CCC1)C 34a_100016994624_100000761012 [0,1,0,1,0,0|2,0,0]=4 4283 B12R1.1357 CC(=CCOC(C)C1CCC1)C 34a_100000766398_100000761012 [0,1,0,1,0,0|2,0,0]=4 4284 B12R1.1357 CC(=CCOC(C)C1CCC1)C 7a_100000766398_100000761012 [0,1,0,1,0,0|2,0,0]=4 4285 B12R1.57 C=C(C)[C@@H]1CC[C@H](C[C@H]1OC)C 34a_100016197468_200000210301 [0,1,0,1,0,0|0,0,2]=4 4286 B12R1.57 C=C(C)[C@@H]1CC[C@H](C[C@H]1OC)C 7a_100016197468_200000210301 [0,1,0,1,0,0|0,0,2]=4 4287 B12R1.57 C=C(C)[C@@H]1CC[C@H](C[C@H]1O[13CH3])C 34a_100016197468_200025704644 [0,1,0,1,0,0|0,0,2]=4 4288 B12R1.57 C=C(C)[C@@H]1CC[C@H](C[C@H]1O[13CH3])C 7a_100016197468_200025704644 [0,1,0,1,0,0|0,0,2]=4 4289 B12R1.57 CC(C)[C@H]1CC[C@@H](C[C@@H]1O[13CH3])C 34a_100000763588_200025704644 [0,1,0,1,0,0|0,0,2]=4 4290 B12R1.57 CC(C)[C@H]1CC[C@@H](C[C@@H]1O[13CH3])C 7a_100000763588_200025704644 [0,1,0,1,0,0|0,0,2]=4 4291 B12R1.57 CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_200000210301 [0,1,0,1,0,0|0,0,2]=4 4292 B12R1.57 CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100138415774_200009893639 [0,1,0,1,0,0|0,0,2]=4 4293 B12R1.57 CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_200000210301 [0,1,0,1,0,0|0,0,2]=4 4294 B12R1.337 CC(=O)N1CCC(C1)NCCO 2230a_100000705975_100000211926 [0,1,0,1,0,0|2,0,0]=4 4295 B12R1.337 CC(=O)N1CC[C@@H](C1)OCCO 7a_100012000934_100000211926 [0,1,0,1,0,0|2,0,0]=4 4296 B12R1.337 CC(C)N1CCC(C1)NCCO 2230a_100000746141_100000211926 [0,1,0,1,0,0|1,0,1]=4 4297 B12R1.430 CC(=CCCN1CC(C1)CF)C 269982a_100010363649_100011217483 [0,1,0,1,0,0|2,0,0]=4 4298 B12R1.430 CC(=CCCN1CC(C1)CF)C 34a_100010363649_100011217483 [0,1,0,1,0,0|2,0,0]=4 4299 B12R1.430 CC(=CCCN1CC(C1)CO)C 269982a_100016987283_100011217483 [0,1,0,1,0,0|1,0,0]=3 4300 B12R1.430 CC(=CCCN1CC(C1)CO)C 34a_100016987283_100011217483 [0,1,0,1,0,0|1,0,0]=3 4301 B12R1.430 CC(=CCNC1CC(C1)C#N)C 270004a_100000718196_100000077199 [0,1,0,1,0,0|2,0,0]=4 4302 B12R1.430 CC(=CCNC1CC(C1)CO)C 270004a_100000718196_100000101936 [0,1,0,1,0,0|1,0,0]=3 4303 B12R1.430 CC(=CCSC1CC(C1)CO)C 62a_100000761012_100009874164 [0,1,0,1,0,0|1,0,0]=3 4304 B12R1.430 CC(=CCSC1CC(C1)CO)C 62a_100009874164_100000761012 [0,1,0,1,0,0|1,0,0]=3 4305 B12R1.430 CCC1CN(C1)CCC=C(C)C 2230a_100015205115_100011217483 [0,1,0,1,0,0|2,0,0]=4 4306 B12R1.430 CCC1CN(C1)CCC=C(C)C 269982a_100015205115_100011217483 [0,1,0,1,0,0|2,0,0]=4 4307 B12R1.430 CCN1CC(C1)NCC=C(C)C 2230a_200015199589_100000761012 [0,1,0,1,0,0|2,0,0]=4 4308 B12R1.430 COC1CN(C1)CCC=C(C)C 269982a_100000755009_100011217483 [0,1,0,1,0,0|1,0,0]=3 4309 B12R1.430 CO[C@H]1C[C@@H](C1)NCC=C(C)C 2230a_100121570643_100000761012 [0,1,0,1,0,0|1,0,0]=3 4310 B12R1.430 CSC1CN(C1)CCC=C(C)C 269982a_100016990038_100011217483 [0,1,0,1,0,0|1,1,0]=4 4311 B12R1.887 CC1(CC(CCN1)NCCO)C 270004a_100000210304_100015191244 [0,1,0,1,0,0|1,0,1]=4 4312 B12R1.887 CC1(CC(CCO1)NCCO)C 2230a_100000696200_100000211926 [0,1,0,1,0,0|1,0,1]=4 4313 B12R1.887 CC1(CC(CCO1)NCCO)C 270004a_100000210304_100000755756 [0,1,0,1,0,0|1,0,1]=4 4314 B12R1.887 CC1(CC(CCO1)NCCO)C 34a_100016990907_100010191092 [0,1,0,1,0,0|1,0,1]=4 4315 B12R1.887 CC1(CC(CCO1)OCCO)C 34a_100000693217_100000211926 [0,1,0,1,0,0|1,0,1]=4 4316 B12R1.887 CC1(CC(CCO1)OCCO)C 7a_100000693217_100000211926 [0,1,0,1,0,0|1,0,1]=4 4317 B12R1.887 CC1(CC(CCO1)SCCO)C 62a_100000211926_100010191092 [0,1,0,1,0,0|1,0,1]=4 4318 B12R1.887 CC1(CC(CCO1)SCCO)C 62a_100010191092_100000211926 [0,1,0,1,0,0|1,0,1]=4 4319 B12R1.887 CC1(CCCC(C1)NCCO)C 270004a_100000210304_100000031663 [0,1,0,1,0,0|0,0,2]=4 4320 B12R1.887 CC1(CCCC(C1)OCCO)C 7a_100011995757_100000211926 [0,1,0,1,0,0|0,0,2]=4 4321 B12R1.895 CC(=CCN1C(CCC1C)C)C 2230a_100000687148_100000761012 [0,1,0,1,0,0|2,0,0]=4 4322 B12R1.895 CC(=CCN1C(CCC1C)C)C 269982a_100000687148_100000761012 [0,1,0,1,0,0|2,0,0]=4 4323 B12R1.895 CC(=CCN1C(CCC1C)C)C 34a_100000687148_100000761012 [0,1,0,1,0,0|2,0,0]=4 4324 B12R1.179 CC(CO)N1CCC(C1)CCO 2230a_100016987287_100012180447 [0,1,0,1,0,0|1,0,1]=4 4325 B12R1.179 CC(CO)N1CCC(C1)CCO 34a_100016987287_100012180447 [0,1,0,1,0,0|1,0,1]=4 4326 B12R1.179 CCC(=O)N1CCC(C1)CCO 240690a_100016987287_100000210414 [0,1,0,1,0,0|2,0,0]=4 4327 B12R1.179 CCC(=O)N1CCC(C1)CCO 527a_100016987287_100000210414 [0,1,0,1,0,0|2,0,0]=4 4328 B12R1.179 CCC(C)N1CCC(C1)CCO 2230a_100016987287_100000758301 [0,1,0,1,0,0|1,0,1]=4 4329 B12R1.179 CCC(C)N1CCC(C1)CCO 269982a_100016987287_100000758301 [0,1,0,1,0,0|1,0,1]=4 4330 B12R1.179 CCC(C)N1CCC(C1)CCO 34a_100016987287_100011215416 [0,1,0,1,0,0|1,0,1]=4 4331 B12R1.179 CNC(=O)N1CCC(C1)CCO 2708a_100102657272_100016987287 [0,1,0,1,0,0|2,0,0]=4 4332 B12R1.179 CNC(=O)N1CCC(C1)CCO 273464a_100102657272_100016987287 [0,1,0,1,0,0|2,0,0]=4 4333 B12R1.179 COC(C)N1CCC(C1)CCO 269982a_100016987287_100009879195 [0,1,0,1,0,0|1,0,1]=4 4334 B12R1.179 C[C@H](CO)N1CCC(C1)CCO 269982a_100016987287_100016084084 [0,1,0,1,0,0|1,0,1]=4 4335 B12R1.179 O=C(CO)N1CCC(C1)CCO 240690a_100016987287_100000210174 [0,1,0,1,0,0|2,0,0]=4 4336 B12R1.179 O=C(CO)N1CCC(C1)CCO 527a_100016987287_100000210174 [0,1,0,1,0,0|2,0,0]=4 4337 B12R1.477 C#C/C(=C\COC1CCOC1)/C 34a_100016990848_100000690089 [0,1,0,1,0,0|1,0,1]=4 4338 B12R1.477 C/C=C(\C)/C=NNC1CCOC1 4a_100000690549_100020587592 [0,1,0,1,0,0|2,0,0]=4 4339 B12R1.477 CC(CO)OCCC1CCOC1 34a_100011879284_100012180447 [0,1,0,1,0,0|1,0,1]=4 4340 B12R1.477 CCC(C)OCCC1CCOC1 34a_100011879284_100011215416 [0,1,0,1,0,0|1,0,1]=4 4341 B12R1.180 CC(C)(C)N1CCC(C1)CCO 269982a_100016987287_100000210625 [0,1,0,1,0,0|1,0,1]=4 4342 B12R1.180 CC(C)(C)N1CCC(C1)CCO 34a_100016987287_100000210625 [0,1,0,1,0,0|1,0,1]=4 4343 B12R1.890 CC(C)(C)OCCC1CCOC1 34a_100011879284_100000210625 [0,1,0,1,0,0|1,0,1]=4 4344 B12R2.4845 CC(=O)N1CC2C(C2C1)CO 11a_100000045132_100015343762 [0,0,0,2,0,0|2,0,0]=4 4345 B12R2.4845 CC(=O)N1CC2C(C2C1)CO 240690a_100000045132_100015343762 [0,0,0,2,0,0|2,0,0]=4 4346 B12R2.4845 CC(=O)N1CC2C(C2C1)CO 527a_100000045132_100103153847 [0,0,0,2,0,0|2,0,0]=4 4347 B12R2.4845 CC(C)N1CC2C(C2C1)CO 2230a_100000045132_100000210206 [0,0,0,2,0,0|1,0,1]=4 4348 B12R2.4845 CC(C)N1CC2C(C2C1)CO 269982a_100000045132_100000210206 [0,0,0,2,0,0|1,0,1]=4 4349 B12R2.4845 CC(C)N1CC2C(C2C1)CO 34a_100000045132_100000210206 [0,0,0,2,0,0|1,0,1]=4 4350 B12R2.258 OCCC1CCN(C1)C2CC2 269982a_100016987287_100000211595 [0,0,0,2,0,0|1,0,1]=4 4351 B12R2.258 OCCC1CCN(C1)C2CC2 34a_100016987287_100000211595 [0,0,0,2,0,0|1,0,1]=4 4352 B12R2.2383 C1CC(CO1)CCOC2CC2 34a_100011879284_100000211595 [0,0,0,2,0,0|1,0,1]=4 4353 B12R2.5121 CN1CCCC2(C1)CCOC2 2230a_100015204685_200000210301 [0,0,0,2,0,0|1,0,1]=4 4354 B12R2.5121 CN1CCCC2(C1)CCOC2 269982a_100015204685_200000210301 [0,0,0,2,0,0|1,0,1]=4 4355 B12R2.5121 CN1CCCC2(C1)CCOC2 34a_100015204685_200000210301 [0,0,0,2,0,0|1,0,1]=4 4356 B12R2.5121 [13CH3]N1CCCC2(C1)CCOC2 2230a_100015204685_200025704644 [0,0,0,2,0,0|1,0,1]=4 4357 B12R2.5121 [13CH3]N1CCCC2(C1)CCOC2 269982a_100015204685_200025704644 [0,0,0,2,0,0|1,0,1]=4 4358 B12R2.5121 [13CH3]N1CCCC2(C1)CCOC2 34a_100015204685_200025704644 [0,0,0,2,0,0|1,0,1]=4 4359 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [1,0,0,0,1,0|1,0,1]=4 4360 B8R0.9 C=C(C)CCN(C)CC 2230a_100000225621_100000730704 [1,0,0,0,1,0|1,0,1]=4 4361 B8R0.9 C=C(C)CCN(C)CC 269982a_100000225621_100000730704 [1,0,0,0,1,0|1,0,1]=4 4362 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [1,0,0,0,1,0|1,0,1]=4 4363 B8R0.9 C=C(C)CN[C@H](C)CO 2230a_100000737577_100000748629 [1,0,0,0,1,0|1,0,1]=4 4364 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [1,0,0,0,1,0|1,0,1]=4 4365 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [1,0,0,0,1,0|1,0,1]=4 4366 B8R0.9 C=C(C)COC(C)CO 34a_100000210245_100012180447 [1,0,0,0,1,0|1,0,1]=4 4367 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [1,0,0,0,1,0|1,0,1]=4 4368 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [1,0,0,0,1,0|1,0,1]=4 4369 B8R0.9 C=C(C)CSC(C)CO 62a_100012180447_100000211660 [1,0,0,0,1,0|1,0,1]=4 4370 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100000748629_100016084084 [1,0,0,0,1,0|1,0,1]=4 4371 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100016084084_100000211660 [1,0,0,0,1,0|1,0,1]=4 4372 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [1,0,0,0,1,0|1,0,1]=4 4373 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [1,0,0,0,1,0|2,0,0]=4 4374 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [1,0,0,0,1,0|2,0,0]=4 4375 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [1,0,0,0,1,0|2,0,0]=4 4376 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [1,0,0,0,1,0|1,0,1]=4 4377 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [1,0,0,0,1,0|1,0,1]=4 4378 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [1,0,0,0,1,0|1,0,1]=4 4379 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [1,0,0,0,1,0|1,0,1]=4 4380 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [1,0,0,0,1,0|1,0,1]=4 4381 B8R0.9 CC(C)CNC(C)CO 2230a_100000210953_100012180447 [1,0,0,0,1,0|1,0,1]=4 4382 B8R0.9 CC(C)CNC(C)CO 34a_100000210953_100012180447 [1,0,0,0,1,0|1,0,1]=4 4383 B8R0.9 CC(C)CN[C@H](C)CO 2230a_100000737577_100000210760 [1,0,0,0,1,0|1,0,1]=4 4384 B8R0.9 CC(C)CN[C@H](C)CO 270004a_100000737577_100000210432 [1,0,0,0,1,0|1,0,1]=4 4385 B8R0.9 CC(C)COC(C)CO 34a_100000210257_100012180447 [1,0,0,0,1,0|1,0,1]=4 4386 B8R0.9 CC(C)CSC(C)CO 62a_100012180447_100000210760 [1,0,0,0,1,0|1,0,1]=4 4387 B8R0.9 CC(C)CS[C@H](C)CO 62a_100000210624_100016084084 [1,0,0,0,1,0|1,0,1]=4 4388 B8R0.9 CC(C)CS[C@H](C)CO 62a_100016084084_100000210760 [1,0,0,0,1,0|1,0,1]=4 4389 B8R0.9 CC(C)NC[C@@H](C)CO 2230a_100138425928_100000059175 [1,0,0,0,1,0|1,0,1]=4 4390 B8R0.9 CC(C)NC[C@@H](C)CO 34a_100138425928_100000059175 [1,0,0,0,1,0|1,0,1]=4 4391 B8R0.9 CC(C)OC[C@@H](C)CO 34a_100000212225_100000059175 [1,0,0,0,1,0|1,0,1]=4 4392 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000059175_100000210206 [1,0,0,0,1,0|1,0,1]=4 4393 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000210206_100000059175 [1,0,0,0,1,0|1,0,1]=4 4394 B8R0.9 CC(CO)CNC(C)C 34a_100000744482_100000210206 [1,0,0,0,1,0|1,0,1]=4 4395 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [1,0,0,0,1,0|1,0,1]=4 4396 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [1,0,0,0,1,0|1,0,1]=4 4397 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,0,0,0,1,0|1,0,0]=3 4398 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,0,0,0,1,0|1,0,0]=3 4399 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [1,0,0,0,1,0|2,0,0]=4 4400 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [1,0,0,0,1,0|2,0,0]=4 4401 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [1,0,0,0,1,0|2,0,0]=4 4402 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [1,0,0,0,1,0|2,0,0]=4 4403 B8R0.9 CCC(C)CNC(C)C 2230a_100020588543_100000210206 [1,0,0,0,1,0|1,0,1]=4 4404 B8R0.9 CCC(C)CNC(C)C 2230a_100138425928_100000748023 [1,0,0,0,1,0|1,0,1]=4 4405 B8R0.9 CCC(C)CNC(C)C 34a_100138425928_100000748023 [1,0,0,0,1,0|1,0,1]=4 4406 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [1,0,0,0,1,0|1,0,1]=4 4407 B8R0.9 CCC(C)CSC(C)C 62a_100000210206_100000748023 [1,0,0,0,1,0|1,0,1]=4 4408 B8R0.9 CCC(C)CSC(C)C 62a_100000748023_100000210206 [1,0,0,0,1,0|1,0,1]=4 4409 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [1,0,0,0,1,0|1,0,1]=4 4410 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [1,0,0,0,1,0|1,0,1]=4 4411 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [1,0,0,0,1,0|1,0,1]=4 4412 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [1,0,0,0,1,0|1,0,1]=4 4413 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [1,0,0,0,1,0|2,0,0]=4 4414 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [1,0,0,0,1,0|1,0,1]=4 4415 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [1,0,0,0,1,0|1,0,1]=4 4416 B8R0.9 CCC(C)SCC(C)C 62a_100000210624_100000758301 [1,0,0,0,1,0|1,0,1]=4 4417 B8R0.9 CCC(C)SCC(C)C 62a_100000758301_100000210760 [1,0,0,0,1,0|1,0,1]=4 4418 B8R0.9 CCN(C)CC=C(C)C 2230a_100000225621_100000761012 [1,0,0,0,1,0|1,0,0]=3 4419 B8R0.9 CCN(C)CC=C(C)C 269982a_100000225621_100000761012 [1,0,0,0,1,0|1,0,0]=3 4420 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [1,0,0,0,1,0|2,0,0]=4 4421 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [1,0,0,0,1,0|2,0,0]=4 4422 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [1,0,0,0,1,0|2,0,0]=4 4423 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [1,0,0,0,1,0|1,0,1]=4 4424 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [1,0,0,0,1,0|1,0,1]=4 4425 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [1,0,0,0,1,0|1,0,1]=4 4426 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [1,0,0,0,1,0|1,0,1]=4 4427 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [1,0,0,0,1,0|1,0,1]=4 4428 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [1,0,0,0,1,0|1,0,1]=4 4429 B8R0.9 CCN(C)CCN(C)C 269982a_100000225618_100000204670 [1,0,0,0,1,0|2,0,0]=4 4430 B8R0.9 CCN(C)CCN(C)C 269982a_100000225621_100000755713 [1,0,0,0,1,0|2,0,0]=4 4431 B8R0.9 CCN(C)CCN(C)C 269982a_100000225870_200000210301 [1,0,0,0,1,0|2,0,0]=4 4432 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [1,0,0,0,1,0|1,0,1]=4 4433 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [1,0,0,0,1,0|1,0,1]=4 4434 B8R0.9 CCN([13CH3])CCN(C)C 269982a_100000225870_200025704644 [1,0,0,0,1,0|2,0,0]=4 4435 B8R0.9 CC[C@H](C)CNC(C)C 2230a_100138425928_100009816398 [1,0,0,0,1,0|1,0,1]=4 4436 B8R0.9 CC[C@H](C)CNC(C)C 34a_100138425928_100009816398 [1,0,0,0,1,0|1,0,1]=4 4437 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [1,0,0,0,1,0|1,0,1]=4 4438 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [1,0,0,0,1,0|1,0,1]=4 4439 B8R0.9 CC[C@H](C)CSC(C)C 62a_100000210206_100009816398 [1,0,0,0,1,0|1,0,1]=4 4440 B8R0.9 CC[C@H](C)CSC(C)C 62a_100009816398_100000210206 [1,0,0,0,1,0|1,0,1]=4 4441 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [1,0,0,0,1,0|1,0,1]=4 4442 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [1,0,0,0,1,0|1,0,1]=4 4443 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [1,0,0,0,1,0|1,0,1]=4 4444 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [1,0,0,0,1,0|1,0,1]=4 4445 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [1,0,0,0,1,0|1,0,1]=4 4446 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [1,0,0,0,1,0|1,0,1]=4 4447 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [1,0,0,0,1,0|1,0,1]=4 4448 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [1,0,0,0,1,0|1,0,1]=4 4449 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [1,0,0,0,1,0|1,0,1]=4 4450 B8R0.5 C=C(C)CN(C)CCO 2230a_100000210263_100000748629 [0,0,0,0,2,0|1,0,1]=4 4451 B8R0.5 C=C(C)CN(C)CCO 2230a_100000225649_100000211926 [0,0,0,0,2,0|1,0,1]=4 4452 B8R0.5 C=C(C)CN(C)CCO 269982a_100000210263_100000748629 [0,0,0,0,2,0|1,0,1]=4 4453 B8R0.5 C=C(C)CN(C)CCO 269982a_100000225649_100000211926 [0,0,0,0,2,0|1,0,1]=4 4454 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [0,0,0,0,2,0|1,0,1]=4 4455 B8R0.5 CC(=CC(C)OCF)C 34a_100000717055_100015361967 [0,0,0,0,2,0|2,0,0]=4 4456 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,0,0,0,2,0|2,0,0]=4 4457 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,0,0,0,2,0|2,0,0]=4 4458 B8R0.5 CC(C)CN(C)CCO 2230a_100000210263_100000210760 [0,0,0,0,2,0|1,0,1]=4 4459 B8R0.5 CC(C)CN(C)CCO 2230a_100000747067_100000211926 [0,0,0,0,2,0|1,0,1]=4 4460 B8R0.5 CC(C)CN(C)CCO 2230a_100015185251_200000210301 [0,0,0,0,2,0|1,0,1]=4 4461 B8R0.5 CC(C)CN(C)CCO 269982a_100000210263_100000210624 [0,0,0,0,2,0|1,0,1]=4 4462 B8R0.5 CC(C)CN(C)CCO 269982a_100000747067_100000211926 [0,0,0,0,2,0|1,0,1]=4 4463 B8R0.5 CC(C)CN(C)CCO 269982a_100015185251_200000210301 [0,0,0,0,2,0|1,0,1]=4 4464 B8R0.5 CC(C)CN(C)CCO 270004a_100000210263_100000210432 [0,0,0,0,2,0|1,0,1]=4 4465 B8R0.5 CC(C)CN([13CH3])CCO 2230a_100015185251_200025704644 [0,0,0,0,2,0|1,0,1]=4 4466 B8R0.5 CC(C)CN([13CH3])CCO 269982a_100015185251_200025704644 [0,0,0,0,2,0|1,0,1]=4 4467 B8R0.5 CC(C)NC(C)CCO 2230a_100138425928_100009893172 [0,0,0,0,2,0|1,0,1]=4 4468 B8R0.5 CC(C)NC(C)CCO 34a_100138425928_100009893172 [0,0,0,0,2,0|1,0,1]=4 4469 B8R0.5 CC(C)N[C@H](C)CCO 2230a_100000706166_100000210206 [0,0,0,0,2,0|1,0,1]=4 4470 B8R0.5 CC(C)N[C@H](C)CCO 34a_100000706166_100000210206 [0,0,0,0,2,0|1,0,1]=4 4471 B8R0.5 CC(C)OC(C)CCO 34a_100000212225_100009893172 [0,0,0,0,2,0|1,0,1]=4 4472 B8R0.5 CC(C)SC(C)CCO 62a_100000210206_100009893172 [0,0,0,0,2,0|1,0,1]=4 4473 B8R0.5 CC(C)SC(C)CCO 62a_100009893172_100000210206 [0,0,0,0,2,0|1,0,1]=4 4474 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,0,0,0,2,0|2,0,0]=4 4475 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,0,0,0,2,0|2,0,0]=4 4476 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,0,0,0,2,0|2,0,0]=4 4477 B8R0.5 CCCC(C)CN(C)C 2230a_100102631434_100011216630 [0,0,0,0,2,0|2,0,0]=4 4478 B8R0.5 CCCC(C)CN(C)C 269982a_100102631434_100011216630 [0,0,0,0,2,0|2,0,0]=4 4479 B8R0.5 CCCC(C)CN(C)C 270004a_100102631434_100000243154 [0,0,0,0,2,0|2,0,0]=4 4480 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [0,0,0,0,2,0|2,0,0]=4 4481 B12R0.277 C=CCC(C)COCCC=C(C)C 34a_100009832082_100011217483 [0,0,0,0,0,2|1,0,1]=4 4482 B12R0.277 C=CCC(C)COCCC=C(C)C 7a_100009832082_100011217483 [0,0,0,0,0,2|1,0,1]=4 4483 B12R0.277 CC(=CCCOCC(C)CCN)C 34a_106354213184_100011217483 [0,0,0,0,0,2|1,0,0]=3 4484 B12R0.277 CC(=O)CCCCN[C@H](C)CCO 34a_100000706166_100009817362 [0,0,0,0,0,2|1,0,1]=4 4485 B12R0.277 CC(=O)CCCCSC(C)CCO 62a_100000735457_100009893172 [0,0,0,0,0,2|1,0,1]=4 4486 B12R0.277 CC(=O)CCCCSC(C)CCO 62a_100009893172_100000735457 [0,0,0,0,0,2|1,0,1]=4 4487 B12R0.277 CC(=O)NCCCNC(C)CCO 34a_100000736810_100009893172 [0,0,0,0,0,2|1,0,1]=4 4488 B12R0.277 CC(=O)NCCCOC(C)CCO 34a_100000752032_100009893172 [0,0,0,0,0,2|1,0,1]=4 4489 B12R0.277 CC(=O)OCCCN[C@H](C)CCO 34a_100000706166_100000042594 [0,0,0,0,0,2|1,0,1]=4 4490 B12R0.277 CC(=O)OCCCSC(C)CCO 62a_100000042594_100009893172 [0,0,0,0,0,2|1,0,1]=4 4491 B12R0.277 CC(=O)OCCCSC(C)CCO 62a_100009893172_100000042594 [0,0,0,0,0,2|1,0,1]=4 4492 B12R0.277 CC(=O)SCCCN[C@H](C)CCO 2230a_100000706166_100000038929 [0,0,0,0,0,2|1,0,1]=4 4493 B12R0.277 CC(=O)SCCCN[C@H](C)CCO 34a_100000706166_100000038929 [0,0,0,0,0,2|1,0,1]=4 4494 B12R0.277 CC(=O)SCCCSC(C)CCO 62a_100000038929_100009893172 [0,0,0,0,0,2|1,0,1]=4 4495 B12R0.277 CC(=O)SCCCSC(C)CCO 62a_100009893172_100000038929 [0,0,0,0,0,2|1,0,1]=4 4496 B12R0.277 CC(=S)OCCCN[C@H](C)CCO 2230a_100000706166_200135323944 [0,0,0,0,0,2|1,0,1]=4 4497 B12R0.277 CC(=S)OCCCN[C@H](C)CCO 34a_100000706166_200135323944 [0,0,0,0,0,2|1,0,1]=4 4498 B12R0.277 CC(=S)OCCCSC(C)CCO 62a_100009893172_200135323944 [0,0,0,0,0,2|1,0,1]=4 4499 B12R0.277 CC(=S)OCCCSC(C)CCO 62a_200135323944_100009893172 [0,0,0,0,0,2|1,0,1]=4 4500 B12R0.277 CC(C)CCCCN[C@H](C)CCO 2230a_100000706166_100011216152 [0,0,0,0,0,2|0,0,2]=4 4501 B12R0.277 CC(C)CCCCN[C@H](C)CCO 34a_100000706166_100011216152 [0,0,0,0,0,2|0,0,2]=4 4502 B12R0.277 CC(C)CCCCOC(C)CCO 34a_100011214890_100009893172 [0,0,0,0,0,2|0,0,2]=4 4503 B12R0.277 CC(C)CCCCOC(C)CCO 7a_100011214890_100009893172 [0,0,0,0,0,2|0,0,2]=4 4504 B12R0.277 CC(C)CCCCSC(C)CCO 62a_100009893172_100011216152 [0,0,0,0,0,2|0,0,2]=4 4505 B12R0.277 CC(C)CCCCSC(C)CCO 62a_100011216152_100009893172 [0,0,0,0,0,2|0,0,2]=4 4506 B12R0.277 CC(C)CNCCOC(C)CCO 34a_100015185251_100009893172 [0,0,0,0,0,2|0,0,2]=4 4507 B12R0.277 CC(C)COCCOC(C)CCO 34a_100000703358_100009893172 [0,0,0,0,0,2|0,0,2]=4 4508 B12R0.277 CC(C)COCCOC(C)CCO 7a_100000703358_100009893172 [0,0,0,0,0,2|0,0,2]=4 4509 B12R0.277 CC(C)CSCCOC(C)CCO 34a_200000230437_100009893172 [0,0,0,0,0,2|0,0,2]=4 4510 B12R0.277 CC(C)CSCCOC(C)CCO 7a_200000230437_100009893172 [0,0,0,0,0,2|0,0,2]=4 4511 B12R0.277 CC(C)NCCCOC(C)CCO 34a_100000182298_100009893172 [0,0,0,0,0,2|0,0,2]=4 4512 B12R0.277 CC(CCO)NCCCOC(C)C 2230a_100000737246_100009893172 [0,0,0,0,0,2|0,0,2]=4 4513 B12R0.277 CC(CCO)NCCCOC(C)C 34a_100000737246_100009893172 [0,0,0,0,0,2|0,0,2]=4 4514 B12R0.277 CC(CCO)SCCCCN(C)C 62a_100009893172_100000690147 [0,0,0,0,0,2|1,0,1]=4 4515 B12R0.277 CCCC(C)CCOCC=C(C)C 34a_100011217855_100000761012 [0,0,0,0,0,2|1,0,0]=3 4516 B12R0.277 CCCC(C)CCOCC=C(C)C 7a_100011217855_100000761012 [0,0,0,0,0,2|1,0,0]=3 4517 B12R0.277 CCCC(C)COCCC=C(C)C 34a_100000688023_100011217483 [0,0,0,0,0,2|1,0,0]=3 4518 B12R0.277 CCCC(C)COCCC=C(C)C 7a_100000688023_100011217483 [0,0,0,0,0,2|1,0,0]=3 4519 B12R0.277 CCCC(C)CSCCC=C(C)C 62a_100011216630_100011217483 [0,0,0,0,0,2|1,0,0]=3 4520 B12R0.277 CCCC(C)CSCCC=C(C)C 62a_100011217483_100011216630 [0,0,0,0,0,2|1,0,0]=3 4521 B12R0.277 CCC[C@H](N)CCOCC=C(C)C 34a_100015193777_100000761012 [0,0,0,0,0,2|2,0,0]=4 4522 B12R0.277 CCC[C@H](N)COCCC=C(C)C 34a_100000732646_100011217483 [0,0,0,0,0,2|2,0,0]=4