0 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011216857_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011220946_100011214892 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.3 C#CCC(C)OCCC(C)C 34a_100000685586_100000210312 [0,0,0,0,0,0|2,0,1]=3 3 B10R0.3 C#CCC(C)OCCC(C)C 7a_100000685586_100000210626 [0,0,0,0,0,0|2,0,1]=3 4 B10R0.3 C#CCC(C)OCCC(C)O 34a_100000685586_100012276601 [0,0,0,0,0,0|3,0,1]=4 5 B10R0.3 C#CCC(C)OCCC(C)O 7a_100000685586_100012276601 [0,0,0,0,0,0|3,0,1]=4 6 B10R0.3 C#CCC(C)OCCN(C)C 7a_100000685586_100000755713 [0,0,0,0,0,0|3,0,1]=4 7 B10R0.3 C#CCC(C)OCOC(C)C 34a_100000685586_100000709892 [0,0,0,0,0,0|3,0,1]=4 8 B10R0.3 C#CCN(C)CCCC(C)C 2230a_100000225692_100011214892 [0,0,0,0,0,0|2,0,1]=3 9 B10R0.3 C#CCN(C)CCCC(C)C 34a_100000225692_100011214892 [0,0,0,0,0,0|2,0,1]=3 10 B10R0.3 C#CCN(C)CCCC(C)O 2230a_100000225692_200000718107 [0,0,0,0,0,0|3,0,1]=4 11 B10R0.3 C#CCN(C)CCCC(C)O 34a_100000225692_200000718107 [0,0,0,0,0,0|3,0,1]=4 12 B10R0.3 C#CCN(C)CCOC(C)C 2230a_100000225692_100000211751 [0,0,0,0,0,0|3,0,1]=4 13 B10R0.3 C#CCN(C)CCOC(C)C 34a_100000225692_100000211751 [0,0,0,0,0,0|3,0,1]=4 14 B10R0.3 C#CCN(C)CCSC(C)C 2230a_100000225692_100000730970 [0,0,0,0,0,0|3,0,1]=4 15 B10R0.3 C#CCN(C)CCSC(C)C 34a_100000225692_100000730970 [0,0,0,0,0,0|3,0,1]=4 16 B10R0.3 C/C=C/C(C)OCCC(C)C 34a_200102604097_100000210312 [0,0,0,0,0,0|2,0,2]=4 17 B10R0.3 C=C(Br)CCOC(C)CCO 34a_100009813270_100009893172 [0,0,0,0,0,0|2,0,2]=4 18 B10R0.3 C=C(C)CCNC(C)CCC 2230a_100000741246_100000730704 [0,0,0,0,0,0|2,0,2]=4 19 B10R0.3 C=C(C)CCN[C@H](C)CCO 2230a_100000706166_100000730704 [0,0,0,0,0,0|1,0,2]=3 20 B10R0.3 C=C(C)CCN[C@H](C)CCO 34a_100000706166_100000730704 [0,0,0,0,0,0|1,0,2]=3 21 B10R0.3 C=C(C)CCOC(C)CCBr 34a_100012276601_100000730704 [0,0,0,0,0,0|2,0,2]=4 22 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764384_100000730704 [0,0,0,0,0,0|2,0,2]=4 23 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764851_100000766640 [0,0,0,0,0,0|2,0,2]=4 24 B10R0.3 C=C(C)CCOC(C)CCC 7a_100000764384_100000730704 [0,0,0,0,0,0|2,0,2]=4 25 B10R0.3 C=C(C)CCOC(C)CCO 34a_100000764851_100009893172 [0,0,0,0,0,0|1,0,2]=3 26 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000730704_100000766640 [0,0,0,0,0,0|2,0,2]=4 27 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000766640_100000730704 [0,0,0,0,0,0|2,0,2]=4 28 B10R0.3 C=C(C)CCSC(C)CCO 62a_100000730704_100009893172 [0,0,0,0,0,0|1,0,2]=3 29 B10R0.3 C=C(C)CCSC(C)CCO 62a_100009893172_100000730704 [0,0,0,0,0,0|1,0,2]=3 30 B10R0.3 C=C(C)COCC(C)CCC 34a_100000210245_100011216630 [0,0,0,0,0,0|2,0,2]=4 31 B10R0.3 C=C(C)COCC(C)CCC 34a_100000688023_100000748629 [0,0,0,0,0,0|2,0,2]=4 32 B10R0.3 C=C(C)COCC(C)CCC 7a_100000688023_100000748629 [0,0,0,0,0,0|2,0,2]=4 33 B10R0.3 C=C(C)COCC(C)CCN 34a_106354213184_100000748629 [0,0,0,0,0,0|2,0,2]=4 34 B10R0.3 C=C(C)CSCC(C)CCC 62a_100000748629_100011216630 [0,0,0,0,0,0|2,0,2]=4 35 B10R0.3 C=C(C)CSCC(C)CCC 62a_100011216630_100000211660 [0,0,0,0,0,0|2,0,2]=4 36 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [0,0,0,0,0,0|2,0,2]=4 37 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [0,0,0,0,0,0|2,0,2]=4 38 B10R0.3 C=CCC(C)COCC(C)C 34a_100009832082_100000210624 [0,0,0,0,0,0|2,0,1]=3 39 B10R0.3 C=CCC(C)COCC(C)C 7a_100009832082_100000210760 [0,0,0,0,0,0|2,0,1]=3 40 B10R0.3 C=CCC(C)COCC(C)O 34a_100009832082_100011218427 [0,0,0,0,0,0|3,0,1]=4 41 B10R0.3 C=CCC(C)COCC(C)O 7a_100009832082_100011218427 [0,0,0,0,0,0|3,0,1]=4 42 B10R0.3 C=CCC(C)COC[C@@H](C)O 34a_100009832082_100009817552 [0,0,0,0,0,0|3,0,1]=4 43 B10R0.3 C=CCC(C)COC[C@@H](C)O 7a_100009832082_100009817552 [0,0,0,0,0,0|3,0,1]=4 44 B10R0.3 C=CCN(C)CCCC(C)C 2230a_100000225617_100011214892 [0,0,0,0,0,0|2,0,1]=3 45 B10R0.3 C=CCN(C)CCCC(C)C 269982a_100000225617_100011214892 [0,0,0,0,0,0|2,0,1]=3 46 B10R0.3 C=CCN(C)CCCC(C)O 2230a_100000225617_200000718107 [0,0,0,0,0,0|3,0,1]=4 47 B10R0.3 C=CCN(C)CCCC(C)O 269982a_100000225617_200000718107 [0,0,0,0,0,0|3,0,1]=4 48 B10R0.3 C=CCN(C)CCCN(C)C 269982a_100000225617_100000757444 [0,0,0,0,0,0|3,0,1]=4 49 B10R0.3 C=CCN(C)CCCN(C)C 269982a_100000225831_100000210623 [0,0,0,0,0,0|3,0,1]=4 50 B10R0.3 C=CCN(C)CCOC(C)C 2230a_100000225617_100000211751 [0,0,0,0,0,0|3,0,1]=4 51 B10R0.3 C=CCN(C)CCOC(C)C 269982a_100000225617_100000211751 [0,0,0,0,0,0|3,0,1]=4 52 B10R0.3 C=CCN(C)CCSC(C)C 2230a_100000225617_100000730970 [0,0,0,0,0,0|3,0,1]=4 53 B10R0.3 C=CCN(C)CCSC(C)C 269982a_100000225617_100000730970 [0,0,0,0,0,0|3,0,1]=4 54 B10R0.3 C=CC[C@@H](C)OCCC(C)C 34a_100000731007_100000210312 [0,0,0,0,0,0|2,0,1]=3 55 B10R0.3 C=CC[C@@H](C)OCCC(C)C 7a_100000731007_100000210626 [0,0,0,0,0,0|2,0,1]=3 56 B10R0.3 C=CC[C@@H](C)OCCC(C)O 34a_100000731007_100012276601 [0,0,0,0,0,0|3,0,1]=4 57 B10R0.3 C=CC[C@@H](C)OCCC(C)O 7a_100000731007_100012276601 [0,0,0,0,0,0|3,0,1]=4 58 B10R0.3 C=CC[C@@H](C)OCCN(C)C 7a_100000731007_100000755713 [0,0,0,0,0,0|3,0,1]=4 59 B10R0.3 C=CC[C@@H](C)OCOC(C)C 34a_100000731007_100000709892 [0,0,0,0,0,0|3,0,1]=4 60 B10R0.3 C=CC[C@@H](N)COCC(C)C 34a_100020615467_100000210624 [0,0,0,0,0,0|3,0,1]=4 61 B10R0.3 CC#CC(C)OCCC(C)C 34a_100011216543_100000210312 [0,0,0,0,0,0|2,0,2]=4 62 B10R0.3 CC(=CCCC(=O)CCO)C 1458a_100011216618_100011217483 [0,0,0,0,0,0|1,0,3]=4 63 B10R0.3 CC(=CCCC(C)OCF)C 34a_100102619829_100015361967 [0,0,0,0,0,0|2,0,2]=4 64 B10R0.3 CC(=CCCC(C)OCF)C 7a_100102619829_100015361967 [0,0,0,0,0,0|2,0,2]=4 65 B10R0.3 CC(=CCCN(C)CCO)C 2230a_100000210263_100011217483 [0,0,0,0,0,0|1,0,2]=3 66 B10R0.3 CC(=CCCN(C)CCO)C 269982a_100000210263_100011217483 [0,0,0,0,0,0|1,0,2]=3 67 B10R0.3 CC(=CCNC(C)CCO)C 34a_100000718196_100009893172 [0,0,0,0,0,0|1,0,2]=3 68 B10R0.3 CC(=CCN[C@H](C)CCO)C 2230a_100000706166_100000761012 [0,0,0,0,0,0|1,0,2]=3 69 B10R0.3 CC(=CCN[C@H](C)CCO)C 34a_100000706166_100000761012 [0,0,0,0,0,0|1,0,2]=3 70 B10R0.3 CC(=CCOC(C)CCBr)C 34a_100012276601_100000761012 [0,0,0,0,0,0|2,0,2]=4 71 B10R0.3 CC(=CCOC(C)CCO)C 34a_100000753907_100009893172 [0,0,0,0,0,0|1,0,2]=3 72 B10R0.3 CC(=CCSC(C)CCO)C 62a_100000761012_100009893172 [0,0,0,0,0,0|1,0,2]=3 73 B10R0.3 CC(=CCSC(C)CCO)C 62a_100009893172_100000761012 [0,0,0,0,0,0|1,0,2]=3 74 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,0,0,0,0,0|2,0,2]=4 75 B10R0.3 CC(=O)CCCN(C)CCO 269982a_100000210263_100011215641 [0,0,0,0,0,0|2,0,1]=3 76 B10R0.3 CC(=O)CCOC(C)CCO 34a_100000759926_100009893172 [0,0,0,0,0,0|2,0,1]=3 77 B10R0.3 CC(=O)CCOC(C)CCO 7a_100000759926_100009893172 [0,0,0,0,0,0|2,0,1]=3 78 B10R0.3 CC(=O)CCSC(C)CCO 62a_100000053229_100009893172 [0,0,0,0,0,0|2,0,1]=3 79 B10R0.3 CC(=O)CCSC(C)CCO 62a_100009893172_100000053229 [0,0,0,0,0,0|2,0,1]=3 80 B10R0.3 CC(=O)NCCN(C)CCO 2230a_100000210263_100000189650 [0,0,0,0,0,0|3,0,1]=4 81 B10R0.3 CC(=O)NCCN(C)CCO 269982a_100000210263_100000189650 [0,0,0,0,0,0|3,0,1]=4 82 B10R0.3 CC(=O)OCCN(C)CCO 269982a_100000210263_100009814007 [0,0,0,0,0,0|3,0,1]=4 83 B10R0.3 CC(=O)OCN[C@H](C)CCO 34a_100000706166_100009813279 [0,0,0,0,0,0|3,0,1]=4 84 B10R0.3 CC(=O)OCSC(C)CCO 62a_100000076356_100009893172 [0,0,0,0,0,0|3,0,1]=4 85 B10R0.3 CC(=O)OCSC(C)CCO 62a_100009893172_100000076356 [0,0,0,0,0,0|3,0,1]=4 86 B10R0.3 CC(Br)CCOC(C)CCO 34a_100009893172_100009893172 [0,0,0,0,0,0|2,0,0]=2 87 B10R0.3 CC(C)/C=C/CC(=O)CCO 1458a_100016292215_100000211926 [0,0,0,0,0,0|1,0,3]=4 88 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100011216857_100011214920 [0,0,0,0,0,0|2,0,2]=4 89 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100051588842_100011214892 [0,0,0,0,0,0|2,0,2]=4 90 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [0,0,0,0,0,0|2,0,1]=3 91 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [0,0,0,0,0,0|1,0,1]=2 92 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [0,0,0,0,0,0|1,0,1]=2 93 B10R0.3 CC(C)CCCC(C)OCF 34a_200011218570_100015361967 [0,0,0,0,0,0|2,0,0]=2 94 B10R0.3 CC(C)CCCC(C)OCF 7a_200011218570_100015361967 [0,0,0,0,0,0|2,0,0]=2 95 B10R0.3 CC(C)CCCN(C)CC#N 2230a_100000748184_100011214892 [0,0,0,0,0,0|2,0,1]=3 96 B10R0.3 CC(C)CCCN(C)CCO 2230a_100000210263_100011214892 [0,0,0,0,0,0|1,0,0]=1 97 B10R0.3 CC(C)CCCN(C)CCO 269982a_100000210263_100011214892 [0,0,0,0,0,0|1,0,0]=1 98 B10R0.3 CC(C)CCNC(=O)CCO 240690a_100000210545_100011216618 [0,0,0,0,0,0|2,0,1]=3 99 B10R0.3 CC(C)CCN[C@@H](C)CC#N 2230a_100016994482_100000210312 [0,0,0,0,0,0|2,0,1]=3 100 B10R0.3 CC(C)CCN[C@H](C)CCO 2230a_100000706166_100000210312 [0,0,0,0,0,0|1,0,0]=1 101 B10R0.3 CC(C)CCN[C@H](C)CCO 269862a_100000706166_100000185833 [0,0,0,0,0,0|1,0,0]=1 102 B10R0.3 CC(C)CCN[C@H](C)CCO 34a_100000706166_100000210312 [0,0,0,0,0,0|1,0,0]=1 103 B10R0.3 CC(C)CCOC(C)CC#N 7a_100000210254_100009813641 [0,0,0,0,0,0|2,0,1]=3 104 B10R0.3 CC(C)CCOC(C)CCBr 34a_100012276601_100000210312 [0,0,0,0,0,0|2,0,0]=2 105 B10R0.3 CC(C)CCOC(C)CCO 34a_100000210254_100009893172 [0,0,0,0,0,0|1,0,0]=1 106 B10R0.3 CC(C)CCOC(C)CCO 7a_100000210254_100009893172 [0,0,0,0,0,0|1,0,0]=1 107 B10R0.3 CC(C)CCSC(C)CC#N 62a_100000210312_100009813641 [0,0,0,0,0,0|2,0,1]=3 108 B10R0.3 CC(C)CCSC(C)CC#N 62a_100009813641_100000210312 [0,0,0,0,0,0|2,0,1]=3 109 B10R0.3 CC(C)CCSC(C)CCO 62a_100000210312_100009893172 [0,0,0,0,0,0|1,0,0]=1 110 B10R0.3 CC(C)CCSC(C)CCO 62a_100009893172_100000210312 [0,0,0,0,0,0|1,0,0]=1 111 B10R0.3 CC(C)CNCC(=O)NCO 2230a_100000210953_100000185155 [0,0,0,0,0,0|3,0,1]=4 112 B10R0.3 CC(C)CNCC(=O)NCO 34a_100000210953_100000185155 [0,0,0,0,0,0|3,0,1]=4 113 B10R0.3 CC(C)CNC[C@@H](O)CC#N 2230a_100000210953_100000001066 [0,0,0,0,0,0|3,0,1]=4 114 B10R0.3 CC(C)CNNC(=O)CCO 22a_100000696102_100011216618 [0,0,0,0,0,0|3,0,1]=4 115 B10R0.3 CC(C)COCC(=O)CCF 1458a_100011223364_100011217306 [0,0,0,0,0,0|3,0,1]=4 116 B10R0.3 CC(C)COCC(=O)CCO 1458a_100011223364_100000211926 [0,0,0,0,0,0|2,0,1]=3 117 B10R0.3 CC(C)COCC(=O)NCO 34a_100000210257_100000185155 [0,0,0,0,0,0|3,0,1]=4 118 B10R0.3 CC(C)COCC(C)CCN 34a_106354213184_100000210624 [0,0,0,0,0,0|2,0,0]=2 119 B10R0.3 CC(C)CSCC(=O)NCO 62a_100000185155_100000210760 [0,0,0,0,0,0|3,0,1]=4 120 B10R0.3 CC(C)CSCC(=O)NCO 62a_100000210624_100000185155 [0,0,0,0,0,0|3,0,1]=4 121 B10R0.3 CC(C)CSC[C@@H](O)CC#N 62a_100000001066_100000210760 [0,0,0,0,0,0|3,0,1]=4 122 B10R0.3 CC(C)CSC[C@@H](O)CC#N 62a_100000210624_100000001066 [0,0,0,0,0,0|3,0,1]=4 123 B10R0.3 CC(C)OCCC(=O)CCO 1458a_100011216618_100000211751 [0,0,0,0,0,0|2,0,1]=3 124 B10R0.3 CC(C)OCCN(C)CC#N 2230a_100000748184_100000211751 [0,0,0,0,0,0|3,0,1]=4 125 B10R0.3 CC(C)OCCN(C)CCO 2230a_100000210263_100000211751 [0,0,0,0,0,0|2,0,0]=2 126 B10R0.3 CC(C)OCCN(C)CCO 269982a_100000210263_100000211751 [0,0,0,0,0,0|2,0,0]=2 127 B10R0.3 CC(C)OCN[C@@H](C)CC#N 2230a_100016994482_100000709892 [0,0,0,0,0,0|3,0,1]=4 128 B10R0.3 CC(C)OCN[C@H](C)CCO 2230a_100000706166_100000709892 [0,0,0,0,0,0|2,0,0]=2 129 B10R0.3 CC(C)OCN[C@H](C)CCO 34a_100000706166_100000709892 [0,0,0,0,0,0|2,0,0]=2 130 B10R0.3 CC(C)OCOC(C)CCBr 34a_100012276601_100000709892 [0,0,0,0,0,0|3,0,0]=3 131 B10R0.3 CC(C)OCSC(C)CC#N 62a_100000709892_100009813641 [0,0,0,0,0,0|3,0,1]=4 132 B10R0.3 CC(C)OCSC(C)CC#N 62a_100009813641_100000709892 [0,0,0,0,0,0|3,0,1]=4 133 B10R0.3 CC(C)OCSC(C)CCO 62a_100000709892_100009893172 [0,0,0,0,0,0|2,0,0]=2 134 B10R0.3 CC(C)OCSC(C)CCO 62a_100009893172_100000709892 [0,0,0,0,0,0|2,0,0]=2 135 B10R0.3 CC(C)SCCC(=O)CCO 1458a_100011216618_100000730970 [0,0,0,0,0,0|2,0,1]=3 136 B10R0.3 CC(C)SCCN(C)CC#N 2230a_100000748184_100000730970 [0,0,0,0,0,0|3,0,1]=4 137 B10R0.3 CC(C)SCCN(C)CCO 2230a_100000210263_100000730970 [0,0,0,0,0,0|2,0,0]=2 138 B10R0.3 CC(C)SCCN(C)CCO 269982a_100000210263_100000730970 [0,0,0,0,0,0|2,0,0]=2 139 B10R0.3 CC(CC#N)SCCN(C)C 62a_100009813641_100000755713 [0,0,0,0,0,0|3,0,1]=4 140 B10R0.3 CC(CCN)COCC(F)F 34a_106354213184_100011934356 [0,0,0,0,0,0|4,0,0]=4 141 B10R0.3 CC(CCN)COC[C@@H](C)O 34a_106354213184_100009817552 [0,0,0,0,0,0|3,0,0]=3 142 B10R0.3 CC(CCO)OCCC(=O)N 34a_100000757172_100009893172 [0,0,0,0,0,0|3,0,1]=4 143 B10R0.3 CC(CCO)OCCC(=O)N 7a_100000757172_100009893172 [0,0,0,0,0,0|3,0,1]=4 144 B10R0.3 CC(CCO)OCCC(F)F 34a_100103093639_100009893172 [0,0,0,0,0,0|3,0,0]=3 145 B10R0.3 CC(CCO)OCC[C@@H](C)N 34a_100000706166_100009893172 [0,0,0,0,0,0|2,0,0]=2 146 B10R0.3 CC(CCO)SCCC(=O)N 62a_100000744528_100009893172 [0,0,0,0,0,0|3,0,1]=4 147 B10R0.3 CC(CCO)SCCC(=O)N 62a_100009893172_100000744528 [0,0,0,0,0,0|3,0,1]=4 148 B10R0.3 CC(CCO)SCCN(C)C 62a_100009893172_100000755713 [0,0,0,0,0,0|2,0,0]=2 149 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [0,0,0,0,0,0|2,0,1]=3 150 B10R0.3 CC(O)CCCN(C)CC#N 2230a_100000748184_200000718107 [0,0,0,0,0,0|3,0,1]=4 151 B10R0.3 CC(O)CCCN(C)CCO 2230a_100000210263_200000718107 [0,0,0,0,0,0|2,0,0]=2 152 B10R0.3 CC(O)CCCN(C)CCO 269982a_100000210263_200000718107 [0,0,0,0,0,0|2,0,0]=2 153 B10R0.3 CC(O)CCNC(=O)CCO 240690a_200000755665_100011216618 [0,0,0,0,0,0|3,0,1]=4 154 B10R0.3 CC(O)CCNC(C)CC#N 2230a_200000755665_100009813641 [0,0,0,0,0,0|3,0,1]=4 155 B10R0.3 CC(O)CCNC(C)CCO 2230a_200000755665_100009893172 [0,0,0,0,0,0|2,0,0]=2 156 B10R0.3 CC(O)CCN[C@@H](C)CC#N 2230a_100016994482_100012276601 [0,0,0,0,0,0|3,0,1]=4 157 B10R0.3 CC(O)CCN[C@H](C)CCO 2230a_100000706166_100012276601 [0,0,0,0,0,0|2,0,0]=2 158 B10R0.3 CC(O)CCN[C@H](C)CCO 34a_100000706166_100012276601 [0,0,0,0,0,0|2,0,0]=2 159 B10R0.3 CC(O)CCOC(C)CCBr 34a_100012276601_100012276601 [0,0,0,0,0,0|3,0,0]=3 160 B10R0.3 CC(O)CCSC(C)CC#N 62a_100009813641_100012276601 [0,0,0,0,0,0|3,0,1]=4 161 B10R0.3 CC(O)CCSC(C)CC#N 62a_100012276601_100009813641 [0,0,0,0,0,0|3,0,1]=4 162 B10R0.3 CC(O)CCSC(C)CCO 62a_100009893172_100012276601 [0,0,0,0,0,0|2,0,0]=2 163 B10R0.3 CC(O)CCSC(C)CCO 62a_100012276601_100009893172 [0,0,0,0,0,0|2,0,0]=2 164 B10R0.3 CC(O)COCC(C)CCN 34a_106354213184_100011218427 [0,0,0,0,0,0|3,0,0]=3 165 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,0,0,0,0,0|2,0,1]=3 166 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,0,0,0,0,0|2,0,1]=3 167 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,0,0,0,0,0|3,0,1]=4 168 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [0,0,0,0,0,0|3,0,1]=4 169 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [0,0,0,0,0,0|3,0,1]=4 170 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [0,0,0,0,0,0|3,0,1]=4 171 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [0,0,0,0,0,0|3,0,1]=4 172 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [0,0,0,0,0,0|3,0,1]=4 173 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [0,0,0,0,0,0|3,0,1]=4 174 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [0,0,0,0,0,0|3,0,1]=4 175 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [0,0,0,0,0,0|3,0,1]=4 176 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [0,0,0,0,0,0|3,0,1]=4 177 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [0,0,0,0,0,0|3,0,1]=4 178 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [0,0,0,0,0,0|3,0,1]=4 179 B10R0.3 CCCC(C)C=NNC(C)C 4a_100000741168_100000243154 [0,0,0,0,0,0|3,0,1]=4 180 B10R0.3 CCCC(C)CCOC(C)C 34a_100011217855_100000210206 [0,0,0,0,0,0|2,0,0]=2 181 B10R0.3 CCCC(C)CCOC(C)C 7a_100011217855_100000210206 [0,0,0,0,0,0|2,0,0]=2 182 B10R0.3 CCCC(C)CNCC(C)C 2230a_100000210953_100011216630 [0,0,0,0,0,0|2,0,0]=2 183 B10R0.3 CCCC(C)CNCC(C)C 270004a_100000210953_100000243154 [0,0,0,0,0,0|2,0,0]=2 184 B10R0.3 CCCC(C)CNCC(C)C 34a_100000210953_100011216630 [0,0,0,0,0,0|2,0,0]=2 185 B10R0.3 CCCC(C)CNCC(C)O 2230a_100000210904_100011216630 [0,0,0,0,0,0|3,0,0]=3 186 B10R0.3 CCCC(C)CNCC(C)O 270004a_100000210904_100000243154 [0,0,0,0,0,0|3,0,0]=3 187 B10R0.3 CCCC(C)CNCC(C)O 34a_100000210904_100011216630 [0,0,0,0,0,0|3,0,0]=3 188 B10R0.3 CCCC(C)CNCC(F)F 270004a_100000765723_100000243154 [0,0,0,0,0,0|4,0,0]=4 189 B10R0.3 CCCC(C)CNCC(F)F 34a_100000765723_100011216630 [0,0,0,0,0,0|4,0,0]=4 190 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,0,0,0,0,0|3,0,1]=4 191 B10R0.3 CCCC(C)COCC(C)Br 34a_100012180447_100011216630 [0,0,0,0,0,0|3,0,0]=3 192 B10R0.3 CCCC(C)COCC(C)C 34a_100000210257_100011216630 [0,0,0,0,0,0|2,0,0]=2 193 B10R0.3 CCCC(C)COCC(C)C 34a_100000688023_100000210624 [0,0,0,0,0,0|2,0,0]=2 194 B10R0.3 CCCC(C)COCC(C)C 7a_100000688023_100000210760 [0,0,0,0,0,0|2,0,0]=2 195 B10R0.3 CCCC(C)COCC(C)F 34a_100015925927_100011216630 [0,0,0,0,0,0|3,0,0]=3 196 B10R0.3 CCCC(C)COCC(C)O 34a_100000688023_100011218427 [0,0,0,0,0,0|3,0,0]=3 197 B10R0.3 CCCC(C)COCC(C)O 7a_100000688023_100011218427 [0,0,0,0,0,0|3,0,0]=3 198 B10R0.3 CCCC(C)COCC(F)F 34a_100000688023_100011934356 [0,0,0,0,0,0|4,0,0]=4 199 B10R0.3 CCCC(C)COCC(F)F 34a_100000743014_100011216630 [0,0,0,0,0,0|4,0,0]=4 200 B10R0.3 CCCC(C)COCC(F)F 7a_100000688023_100011934356 [0,0,0,0,0,0|4,0,0]=4 201 B10R0.3 CCCC(C)COC[C@@H](C)Cl 34a_100016084084_100011216630 [0,0,0,0,0,0|3,0,0]=3 202 B10R0.3 CCCC(C)COC[C@@H](C)N 34a_100000737577_100011216630 [0,0,0,0,0,0|3,0,0]=3 203 B10R0.3 CCCC(C)COC[C@@H](C)O 34a_100000688023_100009817552 [0,0,0,0,0,0|3,0,0]=3 204 B10R0.3 CCCC(C)COC[C@@H](C)O 7a_100000688023_100009817552 [0,0,0,0,0,0|3,0,0]=3 205 B10R0.3 CCCC(C)CSCC(C)C 62a_100000210624_100011216630 [0,0,0,0,0,0|2,0,0]=2 206 B10R0.3 CCCC(C)CSCC(C)C 62a_100011216630_100000210760 [0,0,0,0,0,0|2,0,0]=2 207 B10R0.3 CCCC(C)CSCC(C)O 62a_100011216630_100011218427 [0,0,0,0,0,0|3,0,0]=3 208 B10R0.3 CCCC(C)CSCC(C)O 62a_100011218427_100011216630 [0,0,0,0,0,0|3,0,0]=3 209 B10R0.3 CCCC(C)CSCC(F)F 62a_100011216630_100011934356 [0,0,0,0,0,0|4,0,0]=4 210 B10R0.3 CCCC(C)CSCC(F)F 62a_100011934356_100011216630 [0,0,0,0,0,0|4,0,0]=4 211 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100009817552_100011216630 [0,0,0,0,0,0|3,0,0]=3 212 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100011216630_100009817552 [0,0,0,0,0,0|3,0,0]=3 213 B10R0.3 CCCC(C)NCC=C(C)C 2230a_100000741246_100000761012 [0,0,0,0,0,0|2,0,2]=4 214 B10R0.3 CCCC(C)NCC=C(C)C 270004a_100000718196_100000211909 [0,0,0,0,0,0|2,0,2]=4 215 B10R0.3 CCCC(C)NCC=C(C)C 34a_100000718196_100000766640 [0,0,0,0,0,0|2,0,2]=4 216 B10R0.3 CCCC(C)NCCC(C)C 2230a_100000741246_100000210312 [0,0,0,0,0,0|2,0,0]=2 217 B10R0.3 CCCC(C)NCCC(C)C 269862a_100000741246_100000185833 [0,0,0,0,0,0|2,0,0]=2 218 B10R0.3 CCCC(C)NCCC(C)C 270004a_100000210545_100000211909 [0,0,0,0,0,0|2,0,0]=2 219 B10R0.3 CCCC(C)NCCC(C)O 2230a_100000741246_100012276601 [0,0,0,0,0,0|3,0,0]=3 220 B10R0.3 CCCC(C)NCCC(C)O 2230a_200000755665_100000766640 [0,0,0,0,0,0|3,0,0]=3 221 B10R0.3 CCCC(C)NCCC(C)O 270004a_200000755665_100000211909 [0,0,0,0,0,0|3,0,0]=3 222 B10R0.3 CCCC(C)NCCN(C)C 270004a_100000210585_100000211909 [0,0,0,0,0,0|3,0,0]=3 223 B10R0.3 CCCC(C)NCOC(C)C 2230a_100000741246_100000709892 [0,0,0,0,0,0|3,0,0]=3 224 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000753907_100000766640 [0,0,0,0,0,0|2,0,2]=4 225 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000764384_100000761012 [0,0,0,0,0,0|2,0,2]=4 226 B10R0.3 CCCC(C)OCC=C(C)C 7a_100000764384_100000761012 [0,0,0,0,0,0|2,0,2]=4 227 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,0,0,0,0,0|3,0,1]=4 228 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,0,0,0,0,0|3,0,1]=4 229 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,0,0,0,0,0|3,0,1]=4 230 B10R0.3 CCCC(C)OCCC(C)Br 34a_100009893172_100000766640 [0,0,0,0,0,0|3,0,0]=3 231 B10R0.3 CCCC(C)OCCC(C)C 34a_100000210254_100000766640 [0,0,0,0,0,0|2,0,0]=2 232 B10R0.3 CCCC(C)OCCC(C)C 34a_100000764384_100000210312 [0,0,0,0,0,0|2,0,0]=2 233 B10R0.3 CCCC(C)OCCC(C)C 7a_100000210254_100000766640 [0,0,0,0,0,0|2,0,0]=2 234 B10R0.3 CCCC(C)OCCC(C)C 7a_100000764384_100000210626 [0,0,0,0,0,0|2,0,0]=2 235 B10R0.3 CCCC(C)OCCC(C)O 34a_100000764384_100012276601 [0,0,0,0,0,0|3,0,0]=3 236 B10R0.3 CCCC(C)OCCC(C)O 7a_100000764384_100012276601 [0,0,0,0,0,0|3,0,0]=3 237 B10R0.3 CCCC(C)OCCC(F)F 34a_100103093639_100000766640 [0,0,0,0,0,0|4,0,0]=4 238 B10R0.3 CCCC(C)OCCN(C)C 7a_100000764384_100000755713 [0,0,0,0,0,0|3,0,0]=3 239 B10R0.3 CCCC(C)OCC[C@@H](C)N 34a_100000706166_100000766640 [0,0,0,0,0,0|3,0,0]=3 240 B10R0.3 CCCC(C)OCOC(C)C 34a_100000764384_100000709892 [0,0,0,0,0,0|3,0,0]=3 241 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000761012_100000766640 [0,0,0,0,0,0|2,0,2]=4 242 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000766640_100000761012 [0,0,0,0,0,0|2,0,2]=4 243 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,0,0,0,0,0|3,0,1]=4 244 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,0,0,0,0,0|3,0,1]=4 245 B10R0.3 CCCC(C)SCCC(C)C 62a_100000210312_100000766640 [0,0,0,0,0,0|2,0,0]=2 246 B10R0.3 CCCC(C)SCCC(C)C 62a_100000766640_100000210312 [0,0,0,0,0,0|2,0,0]=2 247 B10R0.3 CCCC(C)SCCC(C)O 62a_100000766640_100012276601 [0,0,0,0,0,0|3,0,0]=3 248 B10R0.3 CCCC(C)SCCC(C)O 62a_100012276601_100000766640 [0,0,0,0,0,0|3,0,0]=3 249 B10R0.3 CCCC(C)SCCN(C)C 62a_100000766640_100000755713 [0,0,0,0,0,0|3,0,0]=3 250 B10R0.3 CCCC(C)SCOC(C)C 62a_100000709892_100000766640 [0,0,0,0,0,0|3,0,0]=3 251 B10R0.3 CCCC(C)SCOC(C)C 62a_100000766640_100000709892 [0,0,0,0,0,0|3,0,0]=3 252 B10R0.3 CCCN(C)CCC=C(C)C 2230a_100000747261_100011217483 [0,0,0,0,0,0|2,0,2]=4 253 B10R0.3 CCCN(C)CCC=C(C)C 269982a_100000747261_100011217483 [0,0,0,0,0,0|2,0,2]=4 254 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,0,0,0,0,0|3,0,1]=4 255 B10R0.3 CCCN(C)CCCC(C)C 2230a_100000747261_100011214892 [0,0,0,0,0,0|2,0,0]=2 256 B10R0.3 CCCN(C)CCCC(C)C 269982a_100000747261_100011214892 [0,0,0,0,0,0|2,0,0]=2 257 B10R0.3 CCCN(C)CCCC(C)O 2230a_100000747261_200000718107 [0,0,0,0,0,0|3,0,0]=3 258 B10R0.3 CCCN(C)CCCC(C)O 269982a_100000747261_200000718107 [0,0,0,0,0,0|3,0,0]=3 259 B10R0.3 CCCN(C)CCCN(C)C 269982a_100000225831_100000210303 [0,0,0,0,0,0|3,0,0]=3 260 B10R0.3 CCCN(C)CCCN(C)C 269982a_100000717312_200000210301 [0,0,0,0,0,0|3,0,0]=3 261 B10R0.3 CCCN(C)CCCN(C)C 269982a_100000747261_100000757444 [0,0,0,0,0,0|3,0,0]=3 262 B10R0.3 CCCN(C)CCOC(C)C 2230a_100000747261_100000211751 [0,0,0,0,0,0|3,0,0]=3 263 B10R0.3 CCCN(C)CCOC(C)C 269982a_100000747261_100000211751 [0,0,0,0,0,0|3,0,0]=3 264 B10R0.3 CCCN(C)CCSC(C)C 2230a_100000747261_100000730970 [0,0,0,0,0,0|3,0,0]=3 265 B10R0.3 CCCN(C)CCSC(C)C 269982a_100000747261_100000730970 [0,0,0,0,0,0|3,0,0]=3 266 B10R0.3 CCCN([13CH3])CCCN(C)C 269982a_100000717312_200025704644 [0,0,0,0,0,0|3,0,0]=3 267 B10R0.3 CCC[C@H](N)CCOC(C)C 34a_100015193777_100000210206 [0,0,0,0,0,0|3,0,0]=3 268 B10R0.3 CCC[C@H](N)COCC(C)C 34a_100000732646_100000210624 [0,0,0,0,0,0|3,0,0]=3 269 B10R0.3 CCC[C@H](N)COCC(C)O 34a_100000732646_100011218427 [0,0,0,0,0,0|4,0,0]=4 270 B10R0.3 CCC[C@H](N)COC[C@@H](C)O 34a_100000732646_100009817552 [0,0,0,0,0,0|4,0,0]=4 271 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,0,0,0,0,0|3,0,1]=4 272 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,0,0,0,0,0|3,0,1]=4 273 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,0,0,0,0,0|3,0,1]=4 274 B10R0.3 CCNC(C)CCC=C(C)C 270004a_100015525214_100000765506 [0,0,0,0,0,0|2,0,2]=4 275 B10R0.3 CCNC(C)CCCC(C)C 2230a_100000210607_100000210202 [0,0,0,0,0,0|2,0,0]=2 276 B10R0.3 CCNC(C)CCCC(C)C 270004a_100015525214_100000753411 [0,0,0,0,0,0|2,0,0]=2 277 B10R0.3 CCNC(C)CCOC(C)C 270004a_100015525214_200011219172 [0,0,0,0,0,0|3,0,0]=3 278 B10R0.3 CCOC(C)CCC=C(C)C 34a_100102619829_100000210202 [0,0,0,0,0,0|2,0,2]=4 279 B10R0.3 CCOC(C)CCC=C(C)C 7a_100102619829_100000210202 [0,0,0,0,0,0|2,0,2]=4 280 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [0,0,0,0,0,0|2,0,0]=2 281 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [0,0,0,0,0,0|2,0,0]=2 282 B10R0.3 CN(C)CCCC(=O)CCO 1458a_100011216618_100000695564 [0,0,0,0,0,0|2,0,1]=3 283 B10R0.3 CN(C)CCCN(C)CC#N 269982a_100000225831_100011214920 [0,0,0,0,0,0|3,0,1]=4 284 B10R0.3 CN(C)CCCN(C)CC=O 269982a_100000225831_200015260668 [0,0,0,0,0,0|2,0,2]=4 285 B10R0.3 CN(C)CCCN(C)CCF 269982a_100000225831_100011217306 [0,0,0,0,0,0|3,0,0]=3 286 B10R0.3 CN(C)CCCN(C)CCO 269982a_100000210263_100000757444 [0,0,0,0,0,0|2,0,0]=2 287 B10R0.3 CN(C)CCCN(C)CCO 269982a_100000225831_100000211926 [0,0,0,0,0,0|2,0,0]=2 288 B10R0.3 CN(C)CCNC(=O)CCO 240690a_100000210585_100011216618 [0,0,0,0,0,0|3,0,1]=4 289 B10R0.3 CN(CCO)CCCC(=O)N 269982a_100000210263_100102525003 [0,0,0,0,0,0|3,0,1]=4 290 B10R0.3 CN(CCO)CCCC(=O)O 269956a_100000719178_100000211926 [0,0,0,0,0,0|3,0,1]=4 291 B10R0.3 CNCC(C)CCC=C(C)C 270004a_106832991635_100000033009 [0,0,0,0,0,0|2,0,2]=4 292 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [0,0,0,0,0,0|3,0,1]=4 293 B10R0.3 COCC(C)NCCC(C)C 270004a_100000210545_100000749346 [0,0,0,0,0,0|3,0,0]=3 294 B10R0.3 COCC(C)NCCC(C)O 2230a_200000755665_100000765312 [0,0,0,0,0,0|4,0,0]=4 295 B10R0.3 COCC(C)NCCC(C)O 270004a_200000755665_100000749346 [0,0,0,0,0,0|4,0,0]=4 296 B10R0.3 COCC(C)NCCN(C)C 270004a_100000210585_100000749346 [0,0,0,0,0,0|4,0,0]=4 297 B10R0.3 COCC(C)OCCC(C)Br 34a_100009893172_100000765312 [0,0,0,0,0,0|4,0,0]=4 298 B10R0.3 COCC(C)OCCC(C)C 34a_100000210254_100000765312 [0,0,0,0,0,0|3,0,0]=3 299 B10R0.3 COCC(C)OCCC(C)C 7a_100000210254_100000765312 [0,0,0,0,0,0|3,0,0]=3 300 B10R0.3 COCC(C)OCC[C@@H](C)N 34a_100000706166_100000765312 [0,0,0,0,0,0|4,0,0]=4 301 B10R0.3 COCC(C)SCCC(C)C 62a_100000210312_100000765312 [0,0,0,0,0,0|3,0,0]=3 302 B10R0.3 COCC(C)SCCC(C)C 62a_100000765312_100000210312 [0,0,0,0,0,0|3,0,0]=3 303 B10R0.3 COCC(C)SCCC(C)O 62a_100000765312_100012276601 [0,0,0,0,0,0|4,0,0]=4 304 B10R0.3 COCC(C)SCCC(C)O 62a_100012276601_100000765312 [0,0,0,0,0,0|4,0,0]=4 305 B10R0.3 COCC(C)SCCN(C)C 62a_100000765312_100000755713 [0,0,0,0,0,0|4,0,0]=4 306 B10R0.3 COCC(C)SCOC(C)C 62a_100000709892_100000765312 [0,0,0,0,0,0|4,0,0]=4 307 B10R0.3 COCC(C)SCOC(C)C 62a_100000765312_100000709892 [0,0,0,0,0,0|4,0,0]=4 308 B10R0.3 COCC(N)COCC(C)C 34a_100000724102_100000210624 [0,0,0,0,0,0|4,0,0]=4 309 B10R0.3 COCC(O)CNCC(C)C 2230a_100000756049_100000210760 [0,0,0,0,0,0|4,0,0]=4 310 B10R0.3 COCC(O)CNCC(C)C 270004a_100000756049_100000210432 [0,0,0,0,0,0|4,0,0]=4 311 B10R0.3 COCC(O)CNCC(C)C 34a_100000210953_100011215053 [0,0,0,0,0,0|4,0,0]=4 312 B10R0.3 COCC(O)CNCC(C)C 34a_100000756049_100000210624 [0,0,0,0,0,0|4,0,0]=4 313 B10R0.3 COCC(O)COCC(C)C 34a_100000210257_100011215053 [0,0,0,0,0,0|4,0,0]=4 314 B10R0.3 COCC(O)CSCC(C)C 62a_100000210624_100011215053 [0,0,0,0,0,0|4,0,0]=4 315 B10R0.3 COCC(O)CSCC(C)C 62a_100011215053_100000210760 [0,0,0,0,0,0|4,0,0]=4 316 B10R0.3 COCN(C)CCCN(C)C 269982a_100000225831_100000766300 [0,0,0,0,0,0|4,0,0]=4 317 B10R0.3 COC[C@@H](C)NCCC(C)C 2230a_100000764878_100000210312 [0,0,0,0,0,0|3,0,0]=3 318 B10R0.3 COC[C@@H](C)NCCC(C)C 269862a_100000764878_100000185833 [0,0,0,0,0,0|3,0,0]=3 319 B10R0.3 COC[C@@H](C)NCCC(C)O 2230a_100000764878_100012276601 [0,0,0,0,0,0|4,0,0]=4 320 B10R0.3 COC[C@@H](C)NCOC(C)C 2230a_100000764878_100000709892 [0,0,0,0,0,0|4,0,0]=4 321 B10R0.3 COC[C@@H](C)OCCC(C)C 34a_100011934205_100000210312 [0,0,0,0,0,0|3,0,0]=3 322 B10R0.3 COC[C@@H](C)OCCC(C)O 34a_100011934205_100012276601 [0,0,0,0,0,0|4,0,0]=4 323 B10R0.3 COC[C@@H](C)OCOC(C)C 34a_100011934205_100000709892 [0,0,0,0,0,0|4,0,0]=4 324 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [0,0,0,0,0,0|3,0,1]=4 325 B10R0.3 CSCC(C)NCCC(C)C 270004a_100000210545_100011216314 [0,0,0,0,0,0|3,0,0]=3 326 B10R0.3 CSCC(C)NCCC(C)O 270004a_200000755665_100011216314 [0,0,0,0,0,0|4,0,0]=4 327 B10R0.3 CSCC(C)NCCN(C)C 270004a_100000210585_100011216314 [0,0,0,0,0,0|4,0,0]=4 328 B10R0.3 CSCN(C)CCCN(C)C 269982a_100000225831_100011218213 [0,0,0,0,0,0|4,0,0]=4 329 B10R0.3 C[C@H](CCO)NCCC(=O)N 2230a_100000706166_100000744528 [0,0,0,0,0,0|3,0,1]=4 330 B10R0.3 C[C@H](CCO)NCCC(=O)N 34a_100000706166_100000731001 [0,0,0,0,0,0|3,0,1]=4 331 B9R0.1 C#CC(C)NCCC(C)C 2230a_100000707721_100000210312 [1,0,0,0,0,0|1,0,2]=4 332 B9R0.1 C#CC(C)NCCC(C)C 34a_100000707721_100000210312 [1,0,0,0,0,0|1,0,2]=4 333 B9R0.1 C#CC(C)OCCC(C)C 34a_100000210254_200000035995 [1,0,0,0,0,0|1,0,2]=4 334 B9R0.1 C#CC(C)SCCC(C)C 62a_200000035995_100000210312 [1,0,0,0,0,0|1,0,2]=4 335 B9R0.1 C#C[C@@H](C)OCCC(C)C 34a_100009815206_100000210312 [1,0,0,0,0,0|1,0,2]=4 336 B9R0.1 C#C[C@@H](C)OCCC(C)C 7a_100009815206_100000210626 [1,0,0,0,0,0|1,0,2]=4 337 B9R0.1 C=C(C)CCNC(C)CC 2230a_100000209981_100000730704 [1,0,0,0,0,0|1,0,2]=4 338 B9R0.1 C=C(C)CCN[C@H](C)CO 2230a_100000737577_100000730704 [1,0,0,0,0,0|1,0,2]=4 339 B9R0.1 C=C(C)CCOC(C)CC 34a_100000764851_100011215416 [1,0,0,0,0,0|1,0,2]=4 340 B9R0.1 C=C(C)CCOC(C)CC 7a_100000210228_100000730704 [1,0,0,0,0,0|1,0,2]=4 341 B9R0.1 C=C(C)CCOC(C)CO 34a_100000764851_100012180447 [1,0,0,0,0,0|1,0,2]=4 342 B9R0.1 C=C(C)CCSC(C)CC 62a_100000730704_100000758301 [1,0,0,0,0,0|1,0,2]=4 343 B9R0.1 C=C(C)CCSC(C)CC 62a_100000758301_100000730704 [1,0,0,0,0,0|1,0,2]=4 344 B9R0.1 C=C(C)CCSC(C)CO 62a_100012180447_100000730704 [1,0,0,0,0,0|1,0,2]=4 345 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100000730704_100016084084 [1,0,0,0,0,0|1,0,2]=4 346 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100016084084_100000730704 [1,0,0,0,0,0|1,0,2]=4 347 B9R0.1 C=C(C)CNCC(C)CC 2230a_100020588543_100000748629 [1,0,0,0,0,0|1,0,2]=4 348 B9R0.1 C=C(C)CNCC(C)CO 34a_100000744482_100000748629 [1,0,0,0,0,0|1,0,2]=4 349 B9R0.1 C=C(C)COCC(C)CC 34a_100000210245_100000748023 [1,0,0,0,0,0|1,0,2]=4 350 B9R0.1 C=C(C)COC[C@@H](C)CC 34a_100000210245_100009816398 [1,0,0,0,0,0|1,0,2]=4 351 B9R0.1 C=C(C)COC[C@@H](C)CC 7a_100009816381_100000748629 [1,0,0,0,0,0|1,0,2]=4 352 B9R0.1 C=C(C)COC[C@@H](C)CO 34a_100000210245_100000059175 [1,0,0,0,0,0|1,0,2]=4 353 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748023_100000211660 [1,0,0,0,0,0|1,0,2]=4 354 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748629_100000748023 [1,0,0,0,0,0|1,0,2]=4 355 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100000748629_100009816398 [1,0,0,0,0,0|1,0,2]=4 356 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100009816398_100000211660 [1,0,0,0,0,0|1,0,2]=4 357 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000059175_100000211660 [1,0,0,0,0,0|1,0,2]=4 358 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000748629_100000059175 [1,0,0,0,0,0|1,0,2]=4 359 B9R0.1 C=CC(C)COCC(C)C 34a_100011215527_100000210624 [1,0,0,0,0,0|1,0,2]=4 360 B9R0.1 C=CC(C)COCC(C)C 7a_100011215527_100000210760 [1,0,0,0,0,0|1,0,2]=4 361 B9R0.1 C=CC(C)OCCC(C)C 34a_100000695699_100000210312 [1,0,0,0,0,0|1,0,2]=4 362 B9R0.1 C=CC(C)SCCC(C)C 62a_100011215867_100000210312 [1,0,0,0,0,0|1,0,2]=4 363 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [1,0,0,0,0,0|1,0,2]=4 364 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [1,0,0,0,0,0|1,0,2]=4 365 B9R0.1 CC(=CCNC(C)CO)C 34a_100000718196_100012180447 [1,0,0,0,0,0|1,0,2]=4 366 B9R0.1 CC(=CCN[C@H](C)CO)C 2230a_100000737577_100000761012 [1,0,0,0,0,0|1,0,2]=4 367 B9R0.1 CC(=CCOC(C)CO)C 34a_100000753907_100012180447 [1,0,0,0,0,0|1,0,2]=4 368 B9R0.1 CC(=CCSC(C)CO)C 62a_100012180447_100000761012 [1,0,0,0,0,0|1,0,2]=4 369 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100000761012_100016084084 [1,0,0,0,0,0|1,0,2]=4 370 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100016084084_100000761012 [1,0,0,0,0,0|1,0,2]=4 371 B9R0.1 CC(=O)CCOC(C)CO 34a_100000759926_100012180447 [1,0,0,0,0,0|2,0,1]=4 372 B9R0.1 CC(=O)CCOC(C)CO 7a_100000759926_100012180447 [1,0,0,0,0,0|2,0,1]=4 373 B9R0.1 CC(=O)CCSC(C)CO 62a_100012180447_100000053229 [1,0,0,0,0,0|2,0,1]=4 374 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100000053229_100016084084 [1,0,0,0,0,0|2,0,1]=4 375 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100016084084_100000053229 [1,0,0,0,0,0|2,0,1]=4 376 B9R0.1 CC(=O)COC[C@@H](C)CO 34a_100000211253_100000059175 [1,0,0,0,0,0|2,0,1]=4 377 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [1,0,0,0,0,0|2,0,1]=4 378 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [1,0,0,0,0,0|2,0,1]=4 379 B9R0.1 CC(Br)CCOC(C)CO 34a_100009893172_100012180447 [1,0,0,0,0,0|2,0,0]=3 380 B9R0.1 CC(Br)COCC(O)CO 34a_100012180447_100011219619 [1,0,0,0,0,0|3,0,0]=4 381 B9R0.1 CC(Br)COC[C@@H](C)CO 34a_100012180447_100000059175 [1,0,0,0,0,0|2,0,0]=3 382 B9R0.1 CC(Br)COC[C@@H](O)CO 34a_100012180447_100009815848 [1,0,0,0,0,0|3,0,0]=4 383 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [1,0,0,0,0,0|2,0,1]=4 384 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [1,0,0,0,0,0|1,0,1]=3 385 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [1,0,0,0,0,0|1,0,0]=2 386 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [1,0,0,0,0,0|1,0,0]=2 387 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [1,0,0,0,0,0|1,0,0]=2 388 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [1,0,0,0,0,0|2,0,1]=4 389 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [1,0,0,0,0,0|2,0,1]=4 390 B9R0.1 CC(C)CCNC(C)C#N 2230a_100000737613_100000210312 [1,0,0,0,0,0|2,0,1]=4 391 B9R0.1 CC(C)CCN[C@H](C)CF 269862a_100102880703_100000185833 [1,0,0,0,0,0|2,0,0]=3 392 B9R0.1 CC(C)CCN[C@H](C)CO 2230a_100000737577_100000210312 [1,0,0,0,0,0|1,0,0]=2 393 B9R0.1 CC(C)CCN[C@H](C)CO 269862a_100000737577_100000185833 [1,0,0,0,0,0|1,0,0]=2 394 B9R0.1 CC(C)CCOC(C)C#N 34a_100011218135_100000210312 [1,0,0,0,0,0|2,0,1]=4 395 B9R0.1 CC(C)CCOC(C)C#N 7a_100000210254_100000703298 [1,0,0,0,0,0|2,0,1]=4 396 B9R0.1 CC(C)CCOC(C)CF 34a_100016041109_100000210312 [1,0,0,0,0,0|2,0,0]=3 397 B9R0.1 CC(C)CCOC(C)CF 7a_100016041109_100000210626 [1,0,0,0,0,0|2,0,0]=3 398 B9R0.1 CC(C)CCOC(C)CN 34a_100000210904_100000210312 [1,0,0,0,0,0|2,0,0]=3 399 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [1,0,0,0,0,0|1,0,0]=2 400 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [1,0,0,0,0,0|1,0,0]=2 401 B9R0.1 CC(C)CCSC(C)C#N 62a_100000210312_100000703298 [1,0,0,0,0,0|2,0,1]=4 402 B9R0.1 CC(C)CCSC(C)C#N 62a_100000703298_100000210312 [1,0,0,0,0,0|2,0,1]=4 403 B9R0.1 CC(C)CCSC(C)CO 62a_100012180447_100000210312 [1,0,0,0,0,0|1,0,0]=2 404 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100000210312_100016084084 [1,0,0,0,0,0|1,0,0]=2 405 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100016084084_100000210312 [1,0,0,0,0,0|1,0,0]=2 406 B9R0.1 CC(C)CNCC(C)CO 34a_100000744482_100000210624 [1,0,0,0,0,0|1,0,0]=2 407 B9R0.1 CC(C)CNCC(O)CO 2230a_100000210953_100011219619 [1,0,0,0,0,0|2,0,0]=3 408 B9R0.1 CC(C)CNCC(O)CO 34a_100000210953_100011219619 [1,0,0,0,0,0|2,0,0]=3 409 B9R0.1 CC(C)CNC[C@@H](C)CO 2230a_100000210953_100000059175 [1,0,0,0,0,0|1,0,0]=2 410 B9R0.1 CC(C)CNC[C@@H](C)CO 34a_100000210953_100000059175 [1,0,0,0,0,0|1,0,0]=2 411 B9R0.1 CC(C)CNC[C@@H](F)CO 270004a_100015665980_100000210432 [1,0,0,0,0,0|2,0,0]=3 412 B9R0.1 CC(C)CNC[C@@H](F)CO 34a_100015665980_100000210624 [1,0,0,0,0,0|2,0,0]=3 413 B9R0.1 CC(C)CNC[C@@H](O)CF 2230a_100000210953_100015614560 [1,0,0,0,0,0|3,0,0]=4 414 B9R0.1 CC(C)CNC[C@@H](O)CF 34a_100000210953_100015614560 [1,0,0,0,0,0|3,0,0]=4 415 B9R0.1 CC(C)CNC[C@@H](O)CO 2230a_100000210953_100009815848 [1,0,0,0,0,0|2,0,0]=3 416 B9R0.1 CC(C)CNC[C@@H](O)CO 34a_100000210953_100009815848 [1,0,0,0,0,0|2,0,0]=3 417 B9R0.1 CC(C)CNC[C@H](O)CO 2230a_100020644852_100000210760 [1,0,0,0,0,0|2,0,0]=3 418 B9R0.1 CC(C)COCC(C)CN 34a_100000744482_100000210624 [1,0,0,0,0,0|2,0,0]=3 419 B9R0.1 CC(C)COCC(Cl)CCl 34a_100000033668_100000210624 [1,0,0,0,0,0|3,0,0]=4 420 B9R0.1 CC(C)COCC(O)CO 34a_100000210257_100011219619 [1,0,0,0,0,0|2,0,0]=3 421 B9R0.1 CC(C)COC[C@@H](C)CO 34a_100000210257_100000059175 [1,0,0,0,0,0|1,0,0]=2 422 B9R0.1 CC(C)COC[C@@H](O)CF 34a_100000210257_100015614560 [1,0,0,0,0,0|3,0,0]=4 423 B9R0.1 CC(C)COC[C@@H](O)CO 34a_100000210257_100009815848 [1,0,0,0,0,0|2,0,0]=3 424 B9R0.1 CC(C)COC[C@H](F)CN 34a_100015665980_100000210624 [1,0,0,0,0,0|3,0,0]=4 425 B9R0.1 CC(C)CSCC(O)CO 62a_100000210624_100011219619 [1,0,0,0,0,0|2,0,0]=3 426 B9R0.1 CC(C)CSCC(O)CO 62a_100011219619_100000210760 [1,0,0,0,0,0|2,0,0]=3 427 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000059175_100000210760 [1,0,0,0,0,0|1,0,0]=2 428 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000210624_100000059175 [1,0,0,0,0,0|1,0,0]=2 429 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100000210624_100015614560 [1,0,0,0,0,0|3,0,0]=4 430 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100015614560_100000210760 [1,0,0,0,0,0|3,0,0]=4 431 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100000210624_100009815848 [1,0,0,0,0,0|2,0,0]=3 432 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100009815848_100000210760 [1,0,0,0,0,0|2,0,0]=3 433 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [1,0,0,0,0,0|2,0,1]=4 434 B9R0.1 CC(C)OCN[C@H](C)CO 2230a_100000737577_100000709892 [1,0,0,0,0,0|2,0,0]=3 435 B9R0.1 CC(C)OCOC(C)CF 34a_100016041109_100000709892 [1,0,0,0,0,0|3,0,0]=4 436 B9R0.1 CC(C)OCOC(C)CN 34a_100000210904_100000709892 [1,0,0,0,0,0|3,0,0]=4 437 B9R0.1 CC(C)OCSC(C)CO 62a_100012180447_100000709892 [1,0,0,0,0,0|2,0,0]=3 438 B9R0.1 CC(C)OCS[C@H](C)CO 62a_100000709892_100016084084 [1,0,0,0,0,0|2,0,0]=3 439 B9R0.1 CC(C)OCS[C@H](C)CO 62a_100016084084_100000709892 [1,0,0,0,0,0|2,0,0]=3 440 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [1,0,0,0,0,0|2,0,1]=4 441 B9R0.1 CC(CF)OCCN(C)C 7a_100016041109_100000755713 [1,0,0,0,0,0|3,0,0]=4 442 B9R0.1 CC(CN)COC[C@@H](C)O 34a_100000744482_100009817552 [1,0,0,0,0,0|3,0,0]=4 443 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [1,0,0,0,0,0|1,0,0]=2 444 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [1,0,0,0,0,0|1,0,0]=2 445 B9R0.1 CC(CO)CNCC(F)F 34a_100000744482_100011934356 [1,0,0,0,0,0|3,0,0]=4 446 B9R0.1 CC(CO)CNC[C@@H](C)O 34a_100000744482_100009817552 [1,0,0,0,0,0|2,0,0]=3 447 B9R0.1 CC(CO)OCCC(F)F 34a_100103093639_100012180447 [1,0,0,0,0,0|3,0,0]=4 448 B9R0.1 CC(CO)OCC[C@@H](C)N 34a_100000706166_100012180447 [1,0,0,0,0,0|2,0,0]=3 449 B9R0.1 CC(CO)SCCN(C)C 62a_100012180447_100000755713 [1,0,0,0,0,0|2,0,0]=3 450 B9R0.1 CC(F)COCC(O)CO 34a_100015925927_100011219619 [1,0,0,0,0,0|3,0,0]=4 451 B9R0.1 CC(F)COC[C@@H](C)CO 34a_100015925927_100000059175 [1,0,0,0,0,0|2,0,0]=3 452 B9R0.1 CC(F)COC[C@@H](O)CO 34a_100015925927_100009815848 [1,0,0,0,0,0|3,0,0]=4 453 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [1,0,0,0,0,0|2,0,1]=4 454 B9R0.1 CC(O)CCNC(C)CO 2230a_200000755665_100012180447 [1,0,0,0,0,0|2,0,0]=3 455 B9R0.1 CC(O)CCN[C@H](C)CO 2230a_100000737577_100012276601 [1,0,0,0,0,0|2,0,0]=3 456 B9R0.1 CC(O)CCOC(C)CF 34a_100016041109_100012276601 [1,0,0,0,0,0|3,0,0]=4 457 B9R0.1 CC(O)CCOC(C)CF 7a_100016041109_100012276601 [1,0,0,0,0,0|3,0,0]=4 458 B9R0.1 CC(O)CCOC(C)CN 34a_100000210904_100012276601 [1,0,0,0,0,0|3,0,0]=4 459 B9R0.1 CC(O)CCSC(C)CO 62a_100012180447_100012276601 [1,0,0,0,0,0|2,0,0]=3 460 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100012276601_100016084084 [1,0,0,0,0,0|2,0,0]=3 461 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100016084084_100012276601 [1,0,0,0,0,0|2,0,0]=3 462 B9R0.1 CC(O)CNCC(C)CO 34a_100000744482_100011218427 [1,0,0,0,0,0|2,0,0]=3 463 B9R0.1 CC(O)CNCC(O)CO 2230a_100000210904_100011219619 [1,0,0,0,0,0|3,0,0]=4 464 B9R0.1 CC(O)CNCC(O)CO 34a_100000210904_100011219619 [1,0,0,0,0,0|3,0,0]=4 465 B9R0.1 CC(O)CNC[C@@H](C)CO 2230a_100000210904_100000059175 [1,0,0,0,0,0|2,0,0]=3 466 B9R0.1 CC(O)CNC[C@@H](C)CO 34a_100000210904_100000059175 [1,0,0,0,0,0|2,0,0]=3 467 B9R0.1 CC(O)CNC[C@@H](F)CO 34a_100015665980_100011218427 [1,0,0,0,0,0|3,0,0]=4 468 B9R0.1 CC(O)CNC[C@@H](O)CO 2230a_100000210904_100009815848 [1,0,0,0,0,0|3,0,0]=4 469 B9R0.1 CC(O)CNC[C@@H](O)CO 34a_100000210904_100009815848 [1,0,0,0,0,0|3,0,0]=4 470 B9R0.1 CC(O)CNC[C@H](O)CO 2230a_100020644852_100011218427 [1,0,0,0,0,0|3,0,0]=4 471 B9R0.1 CC(O)COCC(C)CN 34a_100000744482_100011218427 [1,0,0,0,0,0|3,0,0]=4 472 B9R0.1 CC(O)CSCC(O)CO 62a_100011218427_100011219619 [1,0,0,0,0,0|3,0,0]=4 473 B9R0.1 CC(O)CSCC(O)CO 62a_100011219619_100011218427 [1,0,0,0,0,0|3,0,0]=4 474 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [1,0,0,0,0,0|2,0,0]=3 475 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [1,0,0,0,0,0|2,0,0]=3 476 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100009815848_100011218427 [1,0,0,0,0,0|3,0,0]=4 477 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100011218427_100009815848 [1,0,0,0,0,0|3,0,0]=4 478 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [1,0,0,0,0,0|1,0,1]=3 479 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [1,0,0,0,0,0|1,0,1]=3 480 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [1,0,0,0,0,0|2,0,1]=4 481 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [1,0,0,0,0,0|2,0,1]=4 482 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [1,0,0,0,0,0|2,0,1]=4 483 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [1,0,0,0,0,0|2,0,1]=4 484 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [1,0,0,0,0,0|2,0,1]=4 485 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [1,0,0,0,0,0|2,0,1]=4 486 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [1,0,0,0,0,0|2,0,1]=4 487 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [1,0,0,0,0,0|2,0,1]=4 488 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [1,0,0,0,0,0|2,0,1]=4 489 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [1,0,0,0,0,0|2,0,1]=4 490 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [1,0,0,0,0,0|2,0,1]=4 491 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [1,0,0,0,0,0|2,0,1]=4 492 B9R0.1 CCC(C)C=NNC(C)C 4a_100000741168_100000243153 [1,0,0,0,0,0|2,0,1]=4 493 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [1,0,0,0,0,0|2,0,1]=4 494 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [1,0,0,0,0,0|2,0,1]=4 495 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [1,0,0,0,0,0|2,0,1]=4 496 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [1,0,0,0,0,0|2,0,1]=4 497 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [1,0,0,0,0,0|1,0,0]=2 498 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [1,0,0,0,0,0|1,0,0]=2 499 B9R0.1 CCC(C)CNCC(C)C 2230a_100000210953_100000748023 [1,0,0,0,0,0|1,0,0]=2 500 B9R0.1 CCC(C)CNCC(C)C 2230a_100020588543_100000210760 [1,0,0,0,0,0|1,0,0]=2 501 B9R0.1 CCC(C)CNCC(C)C 270004a_100000210953_100000243153 [1,0,0,0,0,0|1,0,0]=2 502 B9R0.1 CCC(C)CNCC(C)C 270004a_100020588543_100000210432 [1,0,0,0,0,0|1,0,0]=2 503 B9R0.1 CCC(C)CNCC(C)C 34a_100000210953_100000748023 [1,0,0,0,0,0|1,0,0]=2 504 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [1,0,0,0,0,0|2,0,0]=3 505 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [1,0,0,0,0,0|2,0,0]=3 506 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [1,0,0,0,0,0|2,0,0]=3 507 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [1,0,0,0,0,0|2,0,0]=3 508 B9R0.1 CCC(C)CNCC(F)F 2230a_100020588543_100011934356 [1,0,0,0,0,0|3,0,0]=4 509 B9R0.1 CCC(C)CNCC(F)F 270004a_100000765723_100000243153 [1,0,0,0,0,0|3,0,0]=4 510 B9R0.1 CCC(C)CNCC(F)F 34a_100000765723_100000748023 [1,0,0,0,0,0|3,0,0]=4 511 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [1,0,0,0,0,0|2,0,0]=3 512 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [1,0,0,0,0,0|2,0,1]=4 513 B9R0.1 CCC(C)COCC(C)Br 34a_100012180447_100000748023 [1,0,0,0,0,0|2,0,0]=3 514 B9R0.1 CCC(C)COCC(C)C 34a_100000210257_100000748023 [1,0,0,0,0,0|1,0,0]=2 515 B9R0.1 CCC(C)COCC(C)F 34a_100015925927_100000748023 [1,0,0,0,0,0|2,0,0]=3 516 B9R0.1 CCC(C)COCC(F)F 34a_100000743014_100000748023 [1,0,0,0,0,0|3,0,0]=4 517 B9R0.1 CCC(C)COC[C@@H](C)Cl 34a_100016084084_100000748023 [1,0,0,0,0,0|2,0,0]=3 518 B9R0.1 CCC(C)COC[C@@H](C)N 34a_100000737577_100000748023 [1,0,0,0,0,0|2,0,0]=3 519 B9R0.1 CCC(C)CSCC(C)C 62a_100000210624_100000748023 [1,0,0,0,0,0|1,0,0]=2 520 B9R0.1 CCC(C)CSCC(C)C 62a_100000748023_100000210760 [1,0,0,0,0,0|1,0,0]=2 521 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [1,0,0,0,0,0|2,0,0]=3 522 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [1,0,0,0,0,0|2,0,0]=3 523 B9R0.1 CCC(C)CSCC(F)F 62a_100000748023_100011934356 [1,0,0,0,0,0|3,0,0]=4 524 B9R0.1 CCC(C)CSCC(F)F 62a_100011934356_100000748023 [1,0,0,0,0,0|3,0,0]=4 525 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [1,0,0,0,0,0|2,0,0]=3 526 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [1,0,0,0,0,0|2,0,0]=3 527 B9R0.1 CCC(C)NCC=C(C)C 2230a_100000209981_100000761012 [1,0,0,0,0,0|1,0,2]=4 528 B9R0.1 CCC(C)NCC=C(C)C 34a_100000718196_100011215416 [1,0,0,0,0,0|1,0,2]=4 529 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [1,0,0,0,0,0|1,0,0]=2 530 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [1,0,0,0,0,0|1,0,0]=2 531 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [1,0,0,0,0,0|2,0,0]=3 532 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [1,0,0,0,0,0|2,0,0]=3 533 B9R0.1 CCC(C)NCOC(C)C 2230a_100000209981_100000709892 [1,0,0,0,0,0|2,0,0]=3 534 B9R0.1 CCC(C)NN=CC(C)C 4a_100000718999_100000210432 [1,0,0,0,0,0|2,0,1]=4 535 B9R0.1 CCC(C)OCC=C(C)C 34a_100000753907_100011215416 [1,0,0,0,0,0|1,0,2]=4 536 B9R0.1 CCC(C)OCC=C(C)C 7a_100000210228_100000761012 [1,0,0,0,0,0|1,0,2]=4 537 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [1,0,0,0,0,0|2,0,1]=4 538 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [1,0,0,0,0,0|2,0,1]=4 539 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [1,0,0,0,0,0|2,0,1]=4 540 B9R0.1 CCC(C)OCCC(C)Br 34a_100009893172_100011215416 [1,0,0,0,0,0|2,0,0]=3 541 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [1,0,0,0,0,0|1,0,0]=2 542 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [1,0,0,0,0,0|1,0,0]=2 543 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [1,0,0,0,0,0|1,0,0]=2 544 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [1,0,0,0,0,0|2,0,0]=3 545 B9R0.1 CCC(C)OCCC(F)F 34a_100103093639_100011215416 [1,0,0,0,0,0|3,0,0]=4 546 B9R0.1 CCC(C)OCCN(C)C 7a_100000210228_100000755713 [1,0,0,0,0,0|2,0,0]=3 547 B9R0.1 CCC(C)OCC[C@@H](C)N 34a_100000706166_100011215416 [1,0,0,0,0,0|2,0,0]=3 548 B9R0.1 CCC(C)SCC=C(C)C 62a_100000758301_100000761012 [1,0,0,0,0,0|1,0,2]=4 549 B9R0.1 CCC(C)SCC=C(C)C 62a_100000761012_100000758301 [1,0,0,0,0,0|1,0,2]=4 550 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [1,0,0,0,0,0|2,0,1]=4 551 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [1,0,0,0,0,0|2,0,1]=4 552 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [1,0,0,0,0,0|1,0,0]=2 553 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [1,0,0,0,0,0|1,0,0]=2 554 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [1,0,0,0,0,0|2,0,0]=3 555 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [1,0,0,0,0,0|2,0,0]=3 556 B9R0.1 CCC(C)SCCN(C)C 62a_100000758301_100000755713 [1,0,0,0,0,0|2,0,0]=3 557 B9R0.1 CCC(C)SCOC(C)C 62a_100000709892_100000758301 [1,0,0,0,0,0|2,0,0]=3 558 B9R0.1 CCC(C)SCOC(C)C 62a_100000758301_100000709892 [1,0,0,0,0,0|2,0,0]=3 559 B9R0.1 CCC(O)CNCC(C)C 2230a_100000210953_100011218378 [1,0,0,0,0,0|2,0,0]=3 560 B9R0.1 CCC(O)CNCC(C)C 2230a_100011218483_100000210760 [1,0,0,0,0,0|2,0,0]=3 561 B9R0.1 CCC(O)CNCC(C)C 270004a_100011218483_100000210432 [1,0,0,0,0,0|2,0,0]=3 562 B9R0.1 CCC(O)CNCC(C)C 34a_100000210953_100011218378 [1,0,0,0,0,0|2,0,0]=3 563 B9R0.1 CCC(O)CNCC(C)O 2230a_100000210904_100011218378 [1,0,0,0,0,0|3,0,0]=4 564 B9R0.1 CCC(O)CNCC(C)O 2230a_100011218483_100011218427 [1,0,0,0,0,0|3,0,0]=4 565 B9R0.1 CCC(O)CNCC(C)O 34a_100000210904_100011218378 [1,0,0,0,0,0|3,0,0]=4 566 B9R0.1 CCC(O)CNC[C@@H](C)O 2230a_100011218483_100009817552 [1,0,0,0,0,0|3,0,0]=4 567 B9R0.1 CCC(O)COCC(C)Br 34a_100012180447_100011218378 [1,0,0,0,0,0|3,0,0]=4 568 B9R0.1 CCC(O)COCC(C)C 34a_100000210257_100011218378 [1,0,0,0,0,0|2,0,0]=3 569 B9R0.1 CCC(O)COCC(C)F 34a_100015925927_100011218378 [1,0,0,0,0,0|3,0,0]=4 570 B9R0.1 CCC(O)COC[C@@H](C)Cl 34a_100016084084_100011218378 [1,0,0,0,0,0|3,0,0]=4 571 B9R0.1 CCC(O)COC[C@@H](C)N 34a_100000737577_100011218378 [1,0,0,0,0,0|3,0,0]=4 572 B9R0.1 CCC(O)CSCC(C)C 62a_100000210624_100011218378 [1,0,0,0,0,0|2,0,0]=3 573 B9R0.1 CCC(O)CSCC(C)C 62a_100011218378_100000210760 [1,0,0,0,0,0|2,0,0]=3 574 B9R0.1 CCC(O)CSCC(C)O 62a_100011218378_100011218427 [1,0,0,0,0,0|3,0,0]=4 575 B9R0.1 CCC(O)CSCC(C)O 62a_100011218427_100011218378 [1,0,0,0,0,0|3,0,0]=4 576 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100009817552_100011218378 [1,0,0,0,0,0|3,0,0]=4 577 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100011218378_100009817552 [1,0,0,0,0,0|3,0,0]=4 578 B9R0.1 CCN(C)CCC=C(C)C 2230a_100000225621_100011217483 [1,0,0,0,0,0|1,0,2]=4 579 B9R0.1 CCN(C)CCC=C(C)C 269982a_100000225621_100011217483 [1,0,0,0,0,0|1,0,2]=4 580 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [1,0,0,0,0,0|2,0,1]=4 581 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [1,0,0,0,0,0|2,0,1]=4 582 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [1,0,0,0,0,0|1,0,0]=2 583 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [1,0,0,0,0,0|1,0,0]=2 584 B9R0.1 CCN(C)CCCC(C)O 2230a_100000225621_200000718107 [1,0,0,0,0,0|2,0,0]=3 585 B9R0.1 CCN(C)CCCC(C)O 269982a_100000225621_200000718107 [1,0,0,0,0,0|2,0,0]=3 586 B9R0.1 CCN(C)CCCN(C)C 2230a_100102631434_100015186262 [1,0,0,0,0,0|2,0,0]=3 587 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225621_100000757444 [1,0,0,0,0,0|2,0,0]=3 588 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225831_100000204670 [1,0,0,0,0,0|2,0,0]=3 589 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225837_200000210301 [1,0,0,0,0,0|2,0,0]=3 590 B9R0.1 CCN(C)CCCN(C)C 269982a_100102631434_100015186262 [1,0,0,0,0,0|2,0,0]=3 591 B9R0.1 CCN(C)CCOC(C)C 2230a_100000225621_100000211751 [1,0,0,0,0,0|2,0,0]=3 592 B9R0.1 CCN(C)CCOC(C)C 269982a_100000225621_100000211751 [1,0,0,0,0,0|2,0,0]=3 593 B9R0.1 CCN(C)CCSC(C)C 2230a_100000225621_100000730970 [1,0,0,0,0,0|2,0,0]=3 594 B9R0.1 CCN(C)CCSC(C)C 269982a_100000225621_100000730970 [1,0,0,0,0,0|2,0,0]=3 595 B9R0.1 CCN([13CH3])CCCN(C)C 269982a_100000225837_200025704644 [1,0,0,0,0,0|2,0,0]=3 596 B9R0.1 CC[C@H](C)CNCC(C)C 2230a_100000210953_100009816398 [1,0,0,0,0,0|1,0,0]=2 597 B9R0.1 CC[C@H](C)CNCC(C)C 34a_100000210953_100009816398 [1,0,0,0,0,0|1,0,0]=2 598 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [1,0,0,0,0,0|2,0,0]=3 599 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [1,0,0,0,0,0|2,0,0]=3 600 B9R0.1 CC[C@H](C)CNCC(F)F 34a_100000765723_100009816398 [1,0,0,0,0,0|3,0,0]=4 601 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [1,0,0,0,0,0|2,0,1]=4 602 B9R0.1 CC[C@H](C)COCC(C)Br 34a_100012180447_100009816398 [1,0,0,0,0,0|2,0,0]=3 603 B9R0.1 CC[C@H](C)COCC(C)C 34a_100000210257_100009816398 [1,0,0,0,0,0|1,0,0]=2 604 B9R0.1 CC[C@H](C)COCC(C)C 7a_100009816381_100000210760 [1,0,0,0,0,0|1,0,0]=2 605 B9R0.1 CC[C@H](C)COCC(C)F 34a_100015925927_100009816398 [1,0,0,0,0,0|2,0,0]=3 606 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [1,0,0,0,0,0|2,0,0]=3 607 B9R0.1 CC[C@H](C)COCC(F)F 34a_100000743014_100009816398 [1,0,0,0,0,0|3,0,0]=4 608 B9R0.1 CC[C@H](C)COCC(F)F 7a_100009816381_100011934356 [1,0,0,0,0,0|3,0,0]=4 609 B9R0.1 CC[C@H](C)COC[C@@H](C)Cl 34a_100016084084_100009816398 [1,0,0,0,0,0|2,0,0]=3 610 B9R0.1 CC[C@H](C)COC[C@@H](C)N 34a_100000737577_100009816398 [1,0,0,0,0,0|2,0,0]=3 611 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [1,0,0,0,0,0|2,0,0]=3 612 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100000210624_100009816398 [1,0,0,0,0,0|1,0,0]=2 613 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100009816398_100000210760 [1,0,0,0,0,0|1,0,0]=2 614 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [1,0,0,0,0,0|2,0,0]=3 615 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [1,0,0,0,0,0|2,0,0]=3 616 B9R0.1 CC[C@H](C)CSCC(F)F 62a_100009816398_100011934356 [1,0,0,0,0,0|3,0,0]=4 617 B9R0.1 CC[C@H](C)CSCC(F)F 62a_100011934356_100009816398 [1,0,0,0,0,0|3,0,0]=4 618 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [1,0,0,0,0,0|2,0,0]=3 619 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [1,0,0,0,0,0|2,0,0]=3 620 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [1,0,0,0,0,0|2,0,1]=4 621 B9R0.1 CN(C)CCCN(C)CF 269982a_100000225831_100015361967 [1,0,0,0,0,0|3,0,0]=4 622 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [1,0,0,0,0,0|2,0,1]=4 623 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [1,0,0,0,0,0|2,0,1]=4 624 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [1,0,0,0,0,0|2,0,1]=4 625 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [1,0,0,0,0,0|2,0,1]=4 626 B9R0.1 CNC(C)CCC=C(C)C 270004a_106832991635_100000765506 [1,0,0,0,0,0|1,0,2]=4 627 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [1,0,0,0,0,0|1,0,0]=2 628 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [1,0,0,0,0,0|1,0,0]=2 629 B9R0.1 CNC(C)CCOC(C)C 270004a_106832991635_200011219172 [1,0,0,0,0,0|2,0,0]=3 630 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [1,0,0,0,0,0|1,0,2]=4 631 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [1,0,0,0,0,0|1,0,2]=4 632 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [1,0,0,0,0,0|1,0,0]=2 633 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [1,0,0,0,0,0|1,0,0]=2 634 B9R0.1 COC(C)CCOC(C)C 7a_100000764861_100000210206 [1,0,0,0,0,0|2,0,0]=3 635 B9R0.1 COC(C)COCC(C)C 34a_100000690652_100000210624 [1,0,0,0,0,0|2,0,0]=3 636 B9R0.1 COC(C)COCC(C)O 34a_100000690652_100011218427 [1,0,0,0,0,0|3,0,0]=4 637 B9R0.1 COC(C)COC[C@@H](C)O 34a_100000690652_100009817552 [1,0,0,0,0,0|3,0,0]=4 638 B9R0.1 COC(C)SCCC(C)C 62a_100000210312_100009879195 [1,0,0,0,0,0|2,0,0]=3 639 B9R0.1 COC(C)SCCC(C)C 62a_100009879195_100000210312 [1,0,0,0,0,0|2,0,0]=3 640 B9R0.1 COC(C)SCCC(C)O 62a_100009879195_100012276601 [1,0,0,0,0,0|3,0,0]=4 641 B9R0.1 COC(C)SCCC(C)O 62a_100012276601_100009879195 [1,0,0,0,0,0|3,0,0]=4 642 B9R0.1 COC(C)SCCN(C)C 62a_100009879195_100000755713 [1,0,0,0,0,0|3,0,0]=4 643 B9R0.1 COC(C)SCOC(C)C 62a_100000709892_100009879195 [1,0,0,0,0,0|3,0,0]=4 644 B9R0.1 COC(C)SCOC(C)C 62a_100009879195_100000709892 [1,0,0,0,0,0|3,0,0]=4 645 B9R0.1 CO[C@H](C)CNCC(C)C 2230a_100020591295_100000210760 [1,0,0,0,0,0|2,0,0]=3 646 B9R0.1 CO[C@H](C)CNCC(C)C 270004a_100020591295_100000210432 [1,0,0,0,0,0|2,0,0]=3 647 B9R0.1 CO[C@H](C)CNCC(C)O 2230a_100020591295_100011218427 [1,0,0,0,0,0|3,0,0]=4 648 B9R0.1 CO[C@H](C)CNC[C@@H](C)O 2230a_100020591295_100009817552 [1,0,0,0,0,0|3,0,0]=4 649 B9R0.1 C[C@@H](CO)CNCC(F)F 34a_100000765723_100000059175 [1,0,0,0,0,0|3,0,0]=4 650 B9R0.1 C[C@@H](CO)COCC(F)F 34a_100000743014_100000059175 [1,0,0,0,0,0|3,0,0]=4 651 B9R0.1 C[C@@H](CO)COC[C@@H](C)Cl 34a_100016084084_100000059175 [1,0,0,0,0,0|2,0,0]=3 652 B9R0.1 C[C@@H](CO)COC[C@@H](C)N 34a_100000737577_100000059175 [1,0,0,0,0,0|2,0,0]=3 653 B9R0.1 C[C@@H](CO)CSCC(F)F 62a_100000059175_100011934356 [1,0,0,0,0,0|3,0,0]=4 654 B9R0.1 C[C@@H](CO)CSCC(F)F 62a_100011934356_100000059175 [1,0,0,0,0,0|3,0,0]=4 655 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [1,0,0,0,0,0|2,0,0]=3 656 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [1,0,0,0,0,0|2,0,0]=3 657 B9R0.1 C[C@@H](Cl)COCC(O)CO 34a_100016084084_100011219619 [1,0,0,0,0,0|3,0,0]=4 658 B9R0.1 C[C@@H](Cl)COC[C@@H](O)CO 34a_100016084084_100009815848 [1,0,0,0,0,0|3,0,0]=4 659 B9R0.1 C[C@@H](N)COCC(O)CO 34a_100000737577_100011219619 [1,0,0,0,0,0|3,0,0]=4 660 B9R0.1 C[C@@H](N)COC[C@@H](O)CO 34a_100000737577_100009815848 [1,0,0,0,0,0|3,0,0]=4 661 B9R0.1 C[C@@H](O)CNC[C@@H](F)CO 34a_100015665980_100009817552 [1,0,0,0,0,0|3,0,0]=4 662 B9R0.1 C[C@@H](O)CNC[C@H](O)CO 2230a_100020644852_100009817552 [1,0,0,0,0,0|3,0,0]=4 663 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100009817552_100011219619 [1,0,0,0,0,0|3,0,0]=4 664 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100011219619_100009817552 [1,0,0,0,0,0|3,0,0]=4 665 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009815848_100009817552 [1,0,0,0,0,0|3,0,0]=4 666 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009817552_100009815848 [1,0,0,0,0,0|3,0,0]=4 667 B9R0.1 C[C@H](CO)SCCN(C)C 62a_100016084084_100000755713 [1,0,0,0,0,0|2,0,0]=3 668 B9R0.2 C#CCCCCCN(C)C 2230a_100102631434_100012094781 [1,0,0,0,0,0|2,0,1]=4 669 B9R0.2 C#CCCCCCN(C)C 269982a_100102631434_100012094781 [1,0,0,0,0,0|2,0,1]=4 670 B9R0.2 C#CCCCCNC(C)C 2230a_100000706060_100000210206 [1,0,0,0,0,0|2,0,1]=4 671 B9R0.2 C#CCCCCNC(C)C 2230a_100138425928_100010269958 [1,0,0,0,0,0|2,0,1]=4 672 B9R0.2 C#CCCCCNC(C)C 34a_100000706060_100000210206 [1,0,0,0,0,0|2,0,1]=4 673 B9R0.2 C#CCCCCNC(C)C 34a_100138425928_100010269958 [1,0,0,0,0,0|2,0,1]=4 674 B9R0.2 C#CCCCCOC(C)C 34a_100000212225_100010269958 [1,0,0,0,0,0|2,0,1]=4 675 B9R0.2 C#CCCCCOC(C)C 34a_100000766709_100000210206 [1,0,0,0,0,0|2,0,1]=4 676 B9R0.2 C#CCCCCOC(C)C 7a_100000766709_100000210206 [1,0,0,0,0,0|2,0,1]=4 677 B9R0.2 C#CCCCCSC(C)C 62a_100000210206_100010269958 [1,0,0,0,0,0|2,0,1]=4 678 B9R0.2 C#CCCCCSC(C)C 62a_100010269958_100000210206 [1,0,0,0,0,0|2,0,1]=4 679 B9R0.2 C#CCCCNCC(C)C 2230a_100000210953_100000731252 [1,0,0,0,0,0|2,0,1]=4 680 B9R0.2 C#CCCCNCC(C)C 270004a_100000718082_100000210432 [1,0,0,0,0,0|2,0,1]=4 681 B9R0.2 C#CCCCNCC(C)C 34a_100000210953_100000695029 [1,0,0,0,0,0|2,0,1]=4 682 B9R0.2 C#CCCCNCC(C)C 34a_100000718082_100000210624 [1,0,0,0,0,0|2,0,1]=4 683 B9R0.2 C#CCCCOCC(C)C 34a_100000210257_100000695029 [1,0,0,0,0,0|2,0,1]=4 684 B9R0.2 C#CCCCOCC(C)C 34a_100000215630_100000210624 [1,0,0,0,0,0|2,0,1]=4 685 B9R0.2 C#CCCCOCC(C)C 7a_100000215630_100000210760 [1,0,0,0,0,0|2,0,1]=4 686 B9R0.2 C#CCCCSCC(C)C 62a_100000210624_100011215417 [1,0,0,0,0,0|2,0,1]=4 687 B9R0.2 C#CCCCSCC(C)C 62a_100011215417_100000210760 [1,0,0,0,0,0|2,0,1]=4 688 B9R0.2 C#CCCNCCC(C)C 34a_100000755551_100000210312 [1,0,0,0,0,0|2,0,1]=4 689 B9R0.2 C#CCCOCCC(C)C 34a_100000210254_100000688953 [1,0,0,0,0,0|2,0,1]=4 690 B9R0.2 C#CCCOCCC(C)C 34a_100011215631_100000210312 [1,0,0,0,0,0|2,0,1]=4 691 B9R0.2 C#CCCOCCC(C)C 7a_100000210254_100000688953 [1,0,0,0,0,0|2,0,1]=4 692 B9R0.2 C#CCCSCCC(C)C 62a_100000210312_100000688953 [1,0,0,0,0,0|2,0,1]=4 693 B9R0.2 C#CCCSCCC(C)C 62a_100000688953_100000210312 [1,0,0,0,0,0|2,0,1]=4 694 B9R0.2 C#CCNCCCC(C)C 2230a_200000737386_100000038162 [1,0,0,0,0,0|2,0,1]=4 695 B9R0.2 C#CCNCCCC(C)C 34a_100000212058_100011214892 [1,0,0,0,0,0|2,0,1]=4 696 B9R0.2 C#CCNCCCC(C)C 34a_200000737386_100000184674 [1,0,0,0,0,0|2,0,1]=4 697 B9R0.2 C#CCOCCCC(C)C 34a_100000210247_100011214892 [1,0,0,0,0,0|2,0,1]=4 698 B9R0.2 C#CCOCCCC(C)C 34a_100000210774_100000184674 [1,0,0,0,0,0|2,0,1]=4 699 B9R0.2 C#CCOCCCC(C)C 7a_100000210774_100000038162 [1,0,0,0,0,0|2,0,1]=4 700 B9R0.2 C#CCSCCCC(C)C 62a_100000038162_100011214892 [1,0,0,0,0,0|2,0,1]=4 701 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [1,0,0,0,0,0|1,0,2]=4 702 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [1,0,0,0,0,0|1,0,2]=4 703 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [1,0,0,0,0,0|1,0,2]=4 704 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [1,0,0,0,0,0|1,0,2]=4 705 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [1,0,0,0,0,0|1,0,2]=4 706 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [1,0,0,0,0,0|1,0,2]=4 707 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [1,0,0,0,0,0|1,0,2]=4 708 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [1,0,0,0,0,0|1,0,2]=4 709 B9R0.2 C=CCCCCCN(C)C 2230a_100102631434_100000700193 [1,0,0,0,0,0|2,0,1]=4 710 B9R0.2 C=CCCCCCN(C)C 269982a_100102631434_100000700193 [1,0,0,0,0,0|2,0,1]=4 711 B9R0.2 C=CCCCCNC(C)C 2230a_100000703577_100000210206 [1,0,0,0,0,0|2,0,1]=4 712 B9R0.2 C=CCCCCNC(C)C 2230a_100138425928_100011215482 [1,0,0,0,0,0|2,0,1]=4 713 B9R0.2 C=CCCCCNC(C)C 34a_100000703577_100000210206 [1,0,0,0,0,0|2,0,1]=4 714 B9R0.2 C=CCCCCNC(C)C 34a_100138425928_100011215482 [1,0,0,0,0,0|2,0,1]=4 715 B9R0.2 C=CCCCCOC(C)C 34a_100000212225_100011215482 [1,0,0,0,0,0|2,0,1]=4 716 B9R0.2 C=CCCCCOC(C)C 34a_100000766645_100000210206 [1,0,0,0,0,0|2,0,1]=4 717 B9R0.2 C=CCCCCOC(C)C 7a_100000766645_100000210206 [1,0,0,0,0,0|2,0,1]=4 718 B9R0.2 C=CCCCCSC(C)C 62a_100000210206_100011215482 [1,0,0,0,0,0|2,0,1]=4 719 B9R0.2 C=CCCCCSC(C)C 62a_100011215482_100000210206 [1,0,0,0,0,0|2,0,1]=4 720 B9R0.2 C=CCCCNCC(C)C 2230a_100000210953_100011713584 [1,0,0,0,0,0|2,0,1]=4 721 B9R0.2 C=CCCCNCC(C)C 2230a_100000700776_100000210760 [1,0,0,0,0,0|2,0,1]=4 722 B9R0.2 C=CCCCNCC(C)C 270004a_100000700776_100000210432 [1,0,0,0,0,0|2,0,1]=4 723 B9R0.2 C=CCCCNCC(C)C 34a_100000210953_100000757094 [1,0,0,0,0,0|2,0,1]=4 724 B9R0.2 C=CCCCNCC(C)C 34a_100000700776_100000210624 [1,0,0,0,0,0|2,0,1]=4 725 B9R0.2 C=CCCCOCC(C)C 34a_100000210257_100000757094 [1,0,0,0,0,0|2,0,1]=4 726 B9R0.2 C=CCCCOCC(C)C 34a_100000758997_100000210624 [1,0,0,0,0,0|2,0,1]=4 727 B9R0.2 C=CCCCOCC(C)C 7a_100000758997_100000210760 [1,0,0,0,0,0|2,0,1]=4 728 B9R0.2 C=CCCCSCC(C)C 62a_100000210624_100000757094 [1,0,0,0,0,0|2,0,1]=4 729 B9R0.2 C=CCCCSCC(C)C 62a_100011713584_100000210760 [1,0,0,0,0,0|2,0,1]=4 730 B9R0.2 C=CCCNCCC(C)C 2230a_100015191253_100000210312 [1,0,0,0,0,0|2,0,1]=4 731 B9R0.2 C=CCCNCCC(C)C 269862a_100015191253_100000185833 [1,0,0,0,0,0|2,0,1]=4 732 B9R0.2 C=CCCOCCC(C)C 34a_100000210254_100000754431 [1,0,0,0,0,0|2,0,1]=4 733 B9R0.2 C=CCCOCCC(C)C 34a_100011205117_100000210312 [1,0,0,0,0,0|2,0,1]=4 734 B9R0.2 C=CCCOCCC(C)C 7a_100000210254_100000754431 [1,0,0,0,0,0|2,0,1]=4 735 B9R0.2 C=CCCSCCC(C)C 62a_100000210312_100000754431 [1,0,0,0,0,0|2,0,1]=4 736 B9R0.2 C=CCCSCCC(C)C 62a_100000754431_100000210312 [1,0,0,0,0,0|2,0,1]=4 737 B9R0.2 C=CCNCCCC(C)C 2230a_100020586998_100011214892 [1,0,0,0,0,0|2,0,1]=4 738 B9R0.2 C=CCNCCCC(C)C 2230a_200000737386_100000210623 [1,0,0,0,0,0|2,0,1]=4 739 B9R0.2 C=CCNCCCC(C)C 34a_200000737386_100015514636 [1,0,0,0,0,0|2,0,1]=4 740 B9R0.2 C=CCOCCCC(C)C 34a_100000210774_100015514636 [1,0,0,0,0,0|2,0,1]=4 741 B9R0.2 C=CCOCCCC(C)C 34a_200000210373_100011214892 [1,0,0,0,0,0|2,0,1]=4 742 B9R0.2 C=CCOCCCC(C)C 7a_100000210774_100015514636 [1,0,0,0,0,0|2,0,1]=4 743 B9R0.2 C=CCSCCCC(C)C 62a_100000210623_100011214892 [1,0,0,0,0,0|2,0,1]=4 744 B9R0.2 C=CCSCCCC(C)C 62a_100011214892_100000210623 [1,0,0,0,0,0|2,0,1]=4 745 B9R0.2 CC(=CCCNCCO)C 2230a_100016997473_100011217483 [1,0,0,0,0,0|1,0,2]=4 746 B9R0.2 CC(=CCCNCCO)C 34a_100016990907_100011217483 [1,0,0,0,0,0|1,0,2]=4 747 B9R0.2 CC(=CCCSCCO)C 62a_100000211926_100011217483 [1,0,0,0,0,0|1,0,2]=4 748 B9R0.2 CC(=CCCSCCO)C 62a_100011217483_100000211926 [1,0,0,0,0,0|1,0,2]=4 749 B9R0.2 CC(=CCNCCCO)C 34a_100000718196_100000230001 [1,0,0,0,0,0|1,0,2]=4 750 B9R0.2 CC(=CCOCCCO)C 34a_100000753907_100000230001 [1,0,0,0,0,0|1,0,2]=4 751 B9R0.2 CC(=CCSCCCO)C 62a_100000761012_100011215043 [1,0,0,0,0,0|1,0,2]=4 752 B9R0.2 CC(=CCSCCCO)C 62a_100011215043_100000761012 [1,0,0,0,0,0|1,0,2]=4 753 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,0,0,0,0,0|2,0,1]=4 754 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,0,0,0,0,0|1,0,1]=3 755 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,0,0,0,0,0|1,0,1]=3 756 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,0,0,0,0,0|2,0,1]=4 757 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,0,0,0,0,0|2,0,1]=4 758 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,0,0,0,0,0|2,0,1]=4 759 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,0,0,0,0,0|2,0,1]=4 760 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,0,0,0,0,0|2,0,1]=4 761 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,0,0,0,0,0|2,0,1]=4 762 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,0,0,0,0,0|2,0,1]=4 763 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,0,0,0,0,0|2,0,1]=4 764 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,0,0,0,0,0|2,0,1]=4 765 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,0,0,0,0,0|2,0,1]=4 766 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,0,0,0,0,0|2,0,1]=4 767 B9R0.2 CC(Br)CCOCCCF 34a_100009893172_100011934791 [1,0,0,0,0,0|3,0,0]=4 768 B9R0.2 CC(Br)CCOCCCO 34a_100009893172_100000230001 [1,0,0,0,0,0|2,0,0]=3 769 B9R0.2 CC(Br)COCCCCF 34a_100012180447_100000729493 [1,0,0,0,0,0|3,0,0]=4 770 B9R0.2 CC(Br)COCCCCO 34a_100012180447_100011216708 [1,0,0,0,0,0|2,0,0]=3 771 B9R0.2 CC(C)CC=NNCCO 4a_100000210001_100000185833 [1,0,0,0,0,0|2,0,1]=4 772 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [1,0,0,0,0,0|2,0,0]=3 773 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [1,0,0,0,0,0|2,0,0]=3 774 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [1,0,0,0,0,0|2,0,0]=3 775 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [1,0,0,0,0,0|2,0,0]=3 776 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [1,0,0,0,0,0|2,0,0]=3 777 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [1,0,0,0,0,0|2,0,0]=3 778 B9R0.2 CC(C)CCCCOCF 34a_100011214890_100015361967 [1,0,0,0,0,0|2,0,0]=3 779 B9R0.2 CC(C)CCCCOCF 7a_100011214890_100015361967 [1,0,0,0,0,0|2,0,0]=3 780 B9R0.2 CC(C)CCCCSCF 62a_100011216152_100015361967 [1,0,0,0,0,0|2,0,0]=3 781 B9R0.2 CC(C)CCCCSCF 62a_100015361967_100011216152 [1,0,0,0,0,0|2,0,0]=3 782 B9R0.2 CC(C)CCCNCC#N 2230a_200000737386_100011215382 [1,0,0,0,0,0|2,0,1]=4 783 B9R0.2 CC(C)CCCNCC=O 2230a_200000737386_200015260668 [1,0,0,0,0,0|1,0,2]=4 784 B9R0.2 CC(C)CCCNCC=O 34a_200000737386_200009817547 [1,0,0,0,0,0|1,0,2]=4 785 B9R0.2 CC(C)CCCNCCF 2230a_200000737386_100011217306 [1,0,0,0,0,0|2,0,0]=3 786 B9R0.2 CC(C)CCCNCCF 34a_100000724931_100011214892 [1,0,0,0,0,0|2,0,0]=3 787 B9R0.2 CC(C)CCCNCCF 34a_200000737386_100011217306 [1,0,0,0,0,0|2,0,0]=3 788 B9R0.2 CC(C)CCCNCCO 2230a_100016997473_100011214892 [1,0,0,0,0,0|1,0,0]=2 789 B9R0.2 CC(C)CCCNCCO 2230a_200000737386_100000211926 [1,0,0,0,0,0|1,0,0]=2 790 B9R0.2 CC(C)CCCNCCO 34a_100016990907_100011214892 [1,0,0,0,0,0|1,0,0]=2 791 B9R0.2 CC(C)CCCNCCO 34a_200000737386_100000211926 [1,0,0,0,0,0|1,0,0]=2 792 B9R0.2 CC(C)CCCOCC#N 7a_100000210774_100011215382 [1,0,0,0,0,0|2,0,1]=4 793 B9R0.2 CC(C)CCCOCC=O 34a_100000210774_200009817547 [1,0,0,0,0,0|1,0,2]=4 794 B9R0.2 CC(C)CCCOCC=O 7a_100000210774_200015260668 [1,0,0,0,0,0|1,0,2]=4 795 B9R0.2 CC(C)CCCOCCBr 34a_100000211926_100011214892 [1,0,0,0,0,0|2,0,0]=3 796 B9R0.2 CC(C)CCCOCCF 34a_100000210774_100011217306 [1,0,0,0,0,0|2,0,0]=3 797 B9R0.2 CC(C)CCCOCCF 7a_100000210774_100011217306 [1,0,0,0,0,0|2,0,0]=3 798 B9R0.2 CC(C)CCCOCCN 34a_100000210304_100011214892 [1,0,0,0,0,0|2,0,0]=3 799 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [1,0,0,0,0,0|1,0,0]=2 800 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [1,0,0,0,0,0|1,0,0]=2 801 B9R0.2 CC(C)CCCSCC#N 62a_100011214892_100011215382 [1,0,0,0,0,0|2,0,1]=4 802 B9R0.2 CC(C)CCCSCC#N 62a_100011215382_100011214892 [1,0,0,0,0,0|2,0,1]=4 803 B9R0.2 CC(C)CCCSCC=O 62a_100011214892_200015260668 [1,0,0,0,0,0|1,0,2]=4 804 B9R0.2 CC(C)CCCSCC=O 62a_200015260668_100011214892 [1,0,0,0,0,0|1,0,2]=4 805 B9R0.2 CC(C)CCCSCCF 62a_100011214892_100011217306 [1,0,0,0,0,0|2,0,0]=3 806 B9R0.2 CC(C)CCCSCCF 62a_100011217306_100011214892 [1,0,0,0,0,0|2,0,0]=3 807 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [1,0,0,0,0,0|1,0,0]=2 808 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [1,0,0,0,0,0|1,0,0]=2 809 B9R0.2 CC(C)CCNCCCF 2230a_100015189416_100000210312 [1,0,0,0,0,0|2,0,0]=3 810 B9R0.2 CC(C)CCNCCCF 269862a_100015189416_100000185833 [1,0,0,0,0,0|2,0,0]=3 811 B9R0.2 CC(C)CCNCCCF 34a_100015189416_100000210312 [1,0,0,0,0,0|2,0,0]=3 812 B9R0.2 CC(C)CCNCCCO 269862a_100000182051_100000185833 [1,0,0,0,0,0|1,0,0]=2 813 B9R0.2 CC(C)CCOCCC#N 7a_100000210254_100000184422 [1,0,0,0,0,0|2,0,1]=4 814 B9R0.2 CC(C)CCOCCCBr 34a_100011217188_100000210312 [1,0,0,0,0,0|2,0,0]=3 815 B9R0.2 CC(C)CCOCCCCl 34a_100000230001_100000210312 [1,0,0,0,0,0|2,0,0]=3 816 B9R0.2 CC(C)CCOCCCF 34a_100000210254_100011934791 [1,0,0,0,0,0|2,0,0]=3 817 B9R0.2 CC(C)CCOCCCF 34a_100000759539_100000210312 [1,0,0,0,0,0|2,0,0]=3 818 B9R0.2 CC(C)CCOCCCF 7a_100000210254_100011934791 [1,0,0,0,0,0|2,0,0]=3 819 B9R0.2 CC(C)CCOCCCN 34a_100000182051_100000210312 [1,0,0,0,0,0|2,0,0]=3 820 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [1,0,0,0,0,0|1,0,0]=2 821 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [1,0,0,0,0,0|1,0,0]=2 822 B9R0.2 CC(C)CCOCCON 34a_100000700252_100000210312 [1,0,0,0,0,0|3,0,0]=4 823 B9R0.2 CC(C)CCSCCC#N 62a_100000210312_100011215226 [1,0,0,0,0,0|2,0,1]=4 824 B9R0.2 CC(C)CCSCCC#N 62a_100011215226_100000210312 [1,0,0,0,0,0|2,0,1]=4 825 B9R0.2 CC(C)CCSCCCF 62a_100000210312_100011934791 [1,0,0,0,0,0|2,0,0]=3 826 B9R0.2 CC(C)CCSCCCF 62a_100011934791_100000210312 [1,0,0,0,0,0|2,0,0]=3 827 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [1,0,0,0,0,0|1,0,0]=2 828 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [1,0,0,0,0,0|1,0,0]=2 829 B9R0.2 CC(C)CNCC#CCO 2230a_100000210953_200000047223 [1,0,0,0,0,0|1,0,2]=4 830 B9R0.2 CC(C)CNCC#CCO 34a_100000210953_200000047223 [1,0,0,0,0,0|1,0,2]=4 831 B9R0.2 CC(C)CNCCCC#N 2230a_100000210953_100000687738 [1,0,0,0,0,0|2,0,1]=4 832 B9R0.2 CC(C)CNCCCC=O 2230a_100000210953_200011292268 [1,0,0,0,0,0|1,0,2]=4 833 B9R0.2 CC(C)CNCCCCF 2230a_100000210953_100000729493 [1,0,0,0,0,0|2,0,0]=3 834 B9R0.2 CC(C)CNCCCCF 34a_100000210953_100000729493 [1,0,0,0,0,0|2,0,0]=3 835 B9R0.2 CC(C)CNCCCCO 2230a_100000210953_100000210776 [1,0,0,0,0,0|1,0,0]=2 836 B9R0.2 CC(C)CNCCCCO 2230a_100000750430_100000210760 [1,0,0,0,0,0|1,0,0]=2 837 B9R0.2 CC(C)CNCCCCO 270004a_100000750430_100000210432 [1,0,0,0,0,0|1,0,0]=2 838 B9R0.2 CC(C)CNCCCCO 34a_100000210953_100011216708 [1,0,0,0,0,0|1,0,0]=2 839 B9R0.2 CC(C)CNCCCCO 34a_100000750430_100000210624 [1,0,0,0,0,0|1,0,0]=2 840 B9R0.2 CC(C)CNCCOCF 34a_100015185251_100015361967 [1,0,0,0,0,0|3,0,0]=4 841 B9R0.2 CC(C)COCC#CCO 34a_100000210257_200000047223 [1,0,0,0,0,0|1,0,2]=4 842 B9R0.2 CC(C)COCCCCBr 34a_100011216708_100000210624 [1,0,0,0,0,0|2,0,0]=3 843 B9R0.2 CC(C)COCCCCCl 34a_100000210776_100000210624 [1,0,0,0,0,0|2,0,0]=3 844 B9R0.2 CC(C)COCCCCCl 7a_100000210776_100000210760 [1,0,0,0,0,0|2,0,0]=3 845 B9R0.2 CC(C)COCCCCF 34a_100000210257_100000729493 [1,0,0,0,0,0|2,0,0]=3 846 B9R0.2 CC(C)COCCCCF 34a_100011995726_100000210624 [1,0,0,0,0,0|2,0,0]=3 847 B9R0.2 CC(C)COCCCCF 7a_100011995726_100000210760 [1,0,0,0,0,0|2,0,0]=3 848 B9R0.2 CC(C)COCCCCI 34a_200012148704_100000210624 [1,0,0,0,0,0|2,0,0]=3 849 B9R0.2 CC(C)COCCCCN 34a_100000750430_100000210624 [1,0,0,0,0,0|2,0,0]=3 850 B9R0.2 CC(C)COCCCCO 34a_100000210257_100011216708 [1,0,0,0,0,0|1,0,0]=2 851 B9R0.2 CC(C)COCCCN[13CH3] 2230a_100000205972_200025704644 [1,0,0,0,0,0|3,0,0]=4 852 B9R0.2 CC(C)COCCCN[13CH3] 34a_100000205972_200025704644 [1,0,0,0,0,0|3,0,0]=4 853 B9R0.2 CC(C)COCCOCF 34a_100000703358_100015361967 [1,0,0,0,0,0|3,0,0]=4 854 B9R0.2 CC(C)COCCOCF 7a_100000703358_100015361967 [1,0,0,0,0,0|3,0,0]=4 855 B9R0.2 CC(C)CSCC#CCO 62a_100000210624_200000047223 [1,0,0,0,0,0|1,0,2]=4 856 B9R0.2 CC(C)CSCC#CCO 62a_200000047223_100000210760 [1,0,0,0,0,0|1,0,2]=4 857 B9R0.2 CC(C)CSCCCC#N 62a_100000210624_100000687738 [1,0,0,0,0,0|2,0,1]=4 858 B9R0.2 CC(C)CSCCCC#N 62a_100000687738_100000210760 [1,0,0,0,0,0|2,0,1]=4 859 B9R0.2 CC(C)CSCCCC=O 62a_100000210624_200011292268 [1,0,0,0,0,0|1,0,2]=4 860 B9R0.2 CC(C)CSCCCC=O 62a_200011292268_100000210760 [1,0,0,0,0,0|1,0,2]=4 861 B9R0.2 CC(C)CSCCCCF 62a_100000210624_100000729493 [1,0,0,0,0,0|2,0,0]=3 862 B9R0.2 CC(C)CSCCCCF 62a_100000729493_100000210760 [1,0,0,0,0,0|2,0,0]=3 863 B9R0.2 CC(C)CSCCCCO 62a_100000210624_100000210776 [1,0,0,0,0,0|1,0,0]=2 864 B9R0.2 CC(C)CSCCCCO 62a_100000210776_100000210760 [1,0,0,0,0,0|1,0,0]=2 865 B9R0.2 CC(C)CSCCOCF 34a_200000230437_100015361967 [1,0,0,0,0,0|3,0,0]=4 866 B9R0.2 CC(C)CSCCOCF 7a_200000230437_100015361967 [1,0,0,0,0,0|3,0,0]=4 867 B9R0.2 CC(C)NCCCCC#N 2230a_100138425928_100000211819 [1,0,0,0,0,0|2,0,1]=4 868 B9R0.2 CC(C)NCCCCC=O 2230a_100138425928_100000139335 [1,0,0,0,0,0|1,0,2]=4 869 B9R0.2 CC(C)NCCCCCF 2230a_100138425928_100000729378 [1,0,0,0,0,0|2,0,0]=3 870 B9R0.2 CC(C)NCCCCCF 34a_100138425928_100000729378 [1,0,0,0,0,0|2,0,0]=3 871 B9R0.2 CC(C)NCCCCCO 2230a_100000762737_100000210206 [1,0,0,0,0,0|1,0,0]=2 872 B9R0.2 CC(C)NCCCCCO 2230a_100138425928_100000746330 [1,0,0,0,0,0|1,0,0]=2 873 B9R0.2 CC(C)NCCCCCO 34a_100000762737_100000210206 [1,0,0,0,0,0|1,0,0]=2 874 B9R0.2 CC(C)NCCCCCO 34a_100138425928_100000746330 [1,0,0,0,0,0|1,0,0]=2 875 B9R0.2 CC(C)NCCCCO[13CH3] 34a_100011521146_200025704644 [1,0,0,0,0,0|3,0,0]=4 876 B9R0.2 CC(C)NCCCOCF 34a_100000182298_100015361967 [1,0,0,0,0,0|3,0,0]=4 877 B9R0.2 CC(C)NCCOCCF 34a_100000224655_100011217306 [1,0,0,0,0,0|3,0,0]=4 878 B9R0.2 CC(C)NCCOCCO 2230a_100000211614_100000210206 [1,0,0,0,0,0|2,0,0]=3 879 B9R0.2 CC(C)NCCOCCO 2230a_100138425928_100011215305 [1,0,0,0,0,0|2,0,0]=3 880 B9R0.2 CC(C)NCCOCCO 34a_100000211614_100000210206 [1,0,0,0,0,0|2,0,0]=3 881 B9R0.2 CC(C)NCCOCCO 34a_100000224655_100000211926 [1,0,0,0,0,0|2,0,0]=3 882 B9R0.2 CC(C)NCCOCCO 34a_100138425928_100000692535 [1,0,0,0,0,0|2,0,0]=3 883 B9R0.2 CC(C)NCCSCCO 2230a_100011219999_100000210206 [1,0,0,0,0,0|2,0,0]=3 884 B9R0.2 CC(C)OCCCCCBr 34a_100000746331_100000210206 [1,0,0,0,0,0|2,0,0]=3 885 B9R0.2 CC(C)OCCCCCBr 7a_100000746331_100000210206 [1,0,0,0,0,0|2,0,0]=3 886 B9R0.2 CC(C)OCCCCCCl 34a_100000746330_100000210206 [1,0,0,0,0,0|2,0,0]=3 887 B9R0.2 CC(C)OCCCCCCl 7a_100000746330_100000210206 [1,0,0,0,0,0|2,0,0]=3 888 B9R0.2 CC(C)OCCCCCF 34a_100000212225_100000729378 [1,0,0,0,0,0|2,0,0]=3 889 B9R0.2 CC(C)OCCCCCI 34a_200012148887_100000210206 [1,0,0,0,0,0|2,0,0]=3 890 B9R0.2 CC(C)OCCCCCI 7a_200012148887_100000210206 [1,0,0,0,0,0|2,0,0]=3 891 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [1,0,0,0,0,0|2,0,0]=3 892 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [1,0,0,0,0,0|1,0,0]=2 893 B9R0.2 CC(C)OCCCNCF 34a_100000737246_100015361967 [1,0,0,0,0,0|3,0,0]=4 894 B9R0.2 CC(C)OCCNCCF 2230a_100000701111_100011217306 [1,0,0,0,0,0|3,0,0]=4 895 B9R0.2 CC(C)OCCNCCF 34a_100000701111_100011217306 [1,0,0,0,0,0|3,0,0]=4 896 B9R0.2 CC(C)OCCNCCF 34a_100000724931_100000211751 [1,0,0,0,0,0|3,0,0]=4 897 B9R0.2 CC(C)OCCNCCO 2230a_100000701111_100000211926 [1,0,0,0,0,0|2,0,0]=3 898 B9R0.2 CC(C)OCCNCCO 2230a_100016997473_100000211751 [1,0,0,0,0,0|2,0,0]=3 899 B9R0.2 CC(C)OCCNCCO 34a_100000701111_100000211926 [1,0,0,0,0,0|2,0,0]=3 900 B9R0.2 CC(C)OCCNCCO 34a_100016990907_100000211751 [1,0,0,0,0,0|2,0,0]=3 901 B9R0.2 CC(C)OCCOCCBr 34a_100000211926_100000211751 [1,0,0,0,0,0|3,0,0]=4 902 B9R0.2 CC(C)OCCOCCBr 34a_100000692535_100000210206 [1,0,0,0,0,0|3,0,0]=4 903 B9R0.2 CC(C)OCCOCCBr 7a_100000692535_100000210206 [1,0,0,0,0,0|3,0,0]=4 904 B9R0.2 CC(C)OCCOCCCl 34a_100011215305_100000210206 [1,0,0,0,0,0|3,0,0]=4 905 B9R0.2 CC(C)OCCOCCCl 7a_100011215305_100000210206 [1,0,0,0,0,0|3,0,0]=4 906 B9R0.2 CC(C)OCCOCCF 34a_100000211219_100011217306 [1,0,0,0,0,0|3,0,0]=4 907 B9R0.2 CC(C)OCCOCCF 34a_200015357709_100000210206 [1,0,0,0,0,0|3,0,0]=4 908 B9R0.2 CC(C)OCCOCCF 7a_100000211219_100011217306 [1,0,0,0,0,0|3,0,0]=4 909 B9R0.2 CC(C)OCCOCCF 7a_200015357709_100000210206 [1,0,0,0,0,0|3,0,0]=4 910 B9R0.2 CC(C)OCCOCCI 34a_100012149058_100000210206 [1,0,0,0,0,0|3,0,0]=4 911 B9R0.2 CC(C)OCCOCCI 7a_100012149058_100000210206 [1,0,0,0,0,0|3,0,0]=4 912 B9R0.2 CC(C)OCCOCCN 34a_100000210304_100000211751 [1,0,0,0,0,0|3,0,0]=4 913 B9R0.2 CC(C)OCCOCCN 34a_100000211614_100000210206 [1,0,0,0,0,0|3,0,0]=4 914 B9R0.2 CC(C)OCCOCCO 34a_100000211219_100000211926 [1,0,0,0,0,0|2,0,0]=3 915 B9R0.2 CC(C)OCCOCCO 34a_100000212225_100000692535 [1,0,0,0,0,0|2,0,0]=3 916 B9R0.2 CC(C)OCCOCCO 7a_100000211219_100000211926 [1,0,0,0,0,0|2,0,0]=3 917 B9R0.2 CC(C)OCCSCCF 62a_100000211751_100011217306 [1,0,0,0,0,0|3,0,0]=4 918 B9R0.2 CC(C)OCCSCCF 62a_100011217306_100000211751 [1,0,0,0,0,0|3,0,0]=4 919 B9R0.2 CC(C)OCCSCCO 62a_100000211751_100000211926 [1,0,0,0,0,0|2,0,0]=3 920 B9R0.2 CC(C)OCCSCCO 62a_100000211926_100000211751 [1,0,0,0,0,0|2,0,0]=3 921 B9R0.2 CC(C)OCNCCCF 2230a_100015189416_100000709892 [1,0,0,0,0,0|3,0,0]=4 922 B9R0.2 CC(C)OCNCCCF 34a_100015189416_100000709892 [1,0,0,0,0,0|3,0,0]=4 923 B9R0.2 CC(C)OCOCCCBr 34a_100011217188_100000709892 [1,0,0,0,0,0|3,0,0]=4 924 B9R0.2 CC(C)OCOCCCCl 34a_100000230001_100000709892 [1,0,0,0,0,0|3,0,0]=4 925 B9R0.2 CC(C)OCOCCCF 34a_100000759539_100000709892 [1,0,0,0,0,0|3,0,0]=4 926 B9R0.2 CC(C)OCOCCCN 34a_100000182051_100000709892 [1,0,0,0,0,0|3,0,0]=4 927 B9R0.2 CC(C)OCSCCCF 62a_100000709892_100011934791 [1,0,0,0,0,0|3,0,0]=4 928 B9R0.2 CC(C)OCSCCCF 62a_100011934791_100000709892 [1,0,0,0,0,0|3,0,0]=4 929 B9R0.2 CC(C)OCSCCCO 62a_100000709892_100011215043 [1,0,0,0,0,0|2,0,0]=3 930 B9R0.2 CC(C)OCSCCCO 62a_100011215043_100000709892 [1,0,0,0,0,0|2,0,0]=3 931 B9R0.2 CC(C)SCCCCC#N 62a_100000210206_100000211819 [1,0,0,0,0,0|2,0,1]=4 932 B9R0.2 CC(C)SCCCCC#N 62a_100011219923_100000210206 [1,0,0,0,0,0|2,0,1]=4 933 B9R0.2 CC(C)SCCCCC=O 62a_100000139335_100000210206 [1,0,0,0,0,0|1,0,2]=4 934 B9R0.2 CC(C)SCCCCC=O 62a_100000210206_100000139335 [1,0,0,0,0,0|1,0,2]=4 935 B9R0.2 CC(C)SCCCCCF 62a_100000210206_100000729378 [1,0,0,0,0,0|2,0,0]=3 936 B9R0.2 CC(C)SCCCCCF 62a_100000729378_100000210206 [1,0,0,0,0,0|2,0,0]=3 937 B9R0.2 CC(C)SCCCCCO 62a_100000210206_100000746330 [1,0,0,0,0,0|1,0,0]=2 938 B9R0.2 CC(C)SCCCCCO 62a_100000746330_100000210206 [1,0,0,0,0,0|1,0,0]=2 939 B9R0.2 CC(C)SCCNCCF 2230a_100000731138_100011217306 [1,0,0,0,0,0|3,0,0]=4 940 B9R0.2 CC(C)SCCNCCF 34a_100000724931_100000730970 [1,0,0,0,0,0|3,0,0]=4 941 B9R0.2 CC(C)SCCNCCF 34a_100000731138_100011217306 [1,0,0,0,0,0|3,0,0]=4 942 B9R0.2 CC(C)SCCNCCO 2230a_100000731138_100000211926 [1,0,0,0,0,0|2,0,0]=3 943 B9R0.2 CC(C)SCCNCCO 2230a_100016997473_100000730970 [1,0,0,0,0,0|2,0,0]=3 944 B9R0.2 CC(C)SCCNCCO 34a_100000731138_100000211926 [1,0,0,0,0,0|2,0,0]=3 945 B9R0.2 CC(C)SCCNCCO 34a_100016990907_100000730970 [1,0,0,0,0,0|2,0,0]=3 946 B9R0.2 CC(C)SCCOCCBr 34a_100000211926_100000730970 [1,0,0,0,0,0|3,0,0]=4 947 B9R0.2 CC(C)SCCOCCF 34a_200011212901_100011217306 [1,0,0,0,0,0|3,0,0]=4 948 B9R0.2 CC(C)SCCOCCF 7a_200011212901_100011217306 [1,0,0,0,0,0|3,0,0]=4 949 B9R0.2 CC(C)SCCOCCN 34a_100000210304_100000730970 [1,0,0,0,0,0|3,0,0]=4 950 B9R0.2 CC(C)SCCOCCO 34a_200011212901_100000211926 [1,0,0,0,0,0|2,0,0]=3 951 B9R0.2 CC(C)SCCOCCO 62a_100000210206_100011215305 [1,0,0,0,0,0|2,0,0]=3 952 B9R0.2 CC(C)SCCOCCO 62a_100011215305_100000210206 [1,0,0,0,0,0|2,0,0]=3 953 B9R0.2 CC(C)SCCOCCO 7a_200011212901_100000211926 [1,0,0,0,0,0|2,0,0]=3 954 B9R0.2 CC(C)SCCSCCF 62a_100000730970_100011217306 [1,0,0,0,0,0|3,0,0]=4 955 B9R0.2 CC(C)SCCSCCF 62a_100011217306_100000730970 [1,0,0,0,0,0|3,0,0]=4 956 B9R0.2 CC(C)SCCSCCO 62a_100000211926_100000730970 [1,0,0,0,0,0|2,0,0]=3 957 B9R0.2 CC(C)SCCSCCO 62a_100000730970_100000211926 [1,0,0,0,0,0|2,0,0]=3 958 B9R0.2 CC(F)COCCCCF 34a_100015925927_100000729493 [1,0,0,0,0,0|3,0,0]=4 959 B9R0.2 CC(F)COCCCCO 34a_100015925927_100011216708 [1,0,0,0,0,0|2,0,0]=3 960 B9R0.2 CC(O)CCCNCCF 34a_100000724931_200000718107 [1,0,0,0,0,0|3,0,0]=4 961 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [1,0,0,0,0,0|2,0,0]=3 962 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [1,0,0,0,0,0|2,0,0]=3 963 B9R0.2 CC(O)CCCOCCBr 34a_100000211926_200000718107 [1,0,0,0,0,0|3,0,0]=4 964 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [1,0,0,0,0,0|3,0,0]=4 965 B9R0.2 CC(O)CCCSCCF 62a_100011217306_200000718107 [1,0,0,0,0,0|3,0,0]=4 966 B9R0.2 CC(O)CCCSCCF 62a_200000718107_100011217306 [1,0,0,0,0,0|3,0,0]=4 967 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [1,0,0,0,0,0|2,0,0]=3 968 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [1,0,0,0,0,0|2,0,0]=3 969 B9R0.2 CC(O)CCNCCCF 2230a_100015189416_100012276601 [1,0,0,0,0,0|3,0,0]=4 970 B9R0.2 CC(O)CCNCCCF 2230a_200000755665_100011934791 [1,0,0,0,0,0|3,0,0]=4 971 B9R0.2 CC(O)CCNCCCF 34a_100015189416_100012276601 [1,0,0,0,0,0|3,0,0]=4 972 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [1,0,0,0,0,0|2,0,0]=3 973 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [1,0,0,0,0,0|3,0,0]=4 974 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [1,0,0,0,0,0|3,0,0]=4 975 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [1,0,0,0,0,0|3,0,0]=4 976 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [1,0,0,0,0,0|3,0,0]=4 977 B9R0.2 CC(O)CCSCCCF 62a_100011934791_100012276601 [1,0,0,0,0,0|3,0,0]=4 978 B9R0.2 CC(O)CCSCCCF 62a_100012276601_100011934791 [1,0,0,0,0,0|3,0,0]=4 979 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [1,0,0,0,0,0|2,0,0]=3 980 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [1,0,0,0,0,0|2,0,0]=3 981 B9R0.2 CC(O)CNCCCCF 2230a_100000210904_100000729493 [1,0,0,0,0,0|3,0,0]=4 982 B9R0.2 CC(O)CNCCCCF 34a_100000210904_100000729493 [1,0,0,0,0,0|3,0,0]=4 983 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [1,0,0,0,0,0|2,0,0]=3 984 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [1,0,0,0,0,0|2,0,0]=3 985 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [1,0,0,0,0,0|2,0,0]=3 986 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [1,0,0,0,0,0|2,0,0]=3 987 B9R0.2 CC(O)COCCCCBr 34a_100011216708_100011218427 [1,0,0,0,0,0|3,0,0]=4 988 B9R0.2 CC(O)COCCCCCl 34a_100000210776_100011218427 [1,0,0,0,0,0|3,0,0]=4 989 B9R0.2 CC(O)COCCCCCl 7a_100000210776_100011218427 [1,0,0,0,0,0|3,0,0]=4 990 B9R0.2 CC(O)COCCCCF 34a_100011995726_100011218427 [1,0,0,0,0,0|3,0,0]=4 991 B9R0.2 CC(O)COCCCCF 7a_100011995726_100011218427 [1,0,0,0,0,0|3,0,0]=4 992 B9R0.2 CC(O)COCCCCI 34a_200012148704_100011218427 [1,0,0,0,0,0|3,0,0]=4 993 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [1,0,0,0,0,0|3,0,0]=4 994 B9R0.2 CC(O)CSCCCCF 62a_100000729493_100011218427 [1,0,0,0,0,0|3,0,0]=4 995 B9R0.2 CC(O)CSCCCCF 62a_100011218427_100000729493 [1,0,0,0,0,0|3,0,0]=4 996 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [1,0,0,0,0,0|2,0,0]=3 997 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [1,0,0,0,0,0|2,0,0]=3 998 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,0,0,0,0,0|2,0,1]=4 999 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,0,0,0,0,0|2,0,1]=4 1000 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,0,0,0,0,0|2,0,1]=4 1001 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [1,0,0,0,0,0|2,0,0]=3 1002 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [1,0,0,0,0,0|2,0,0]=3 1003 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [1,0,0,0,0,0|2,0,0]=3 1004 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [1,0,0,0,0,0|2,0,0]=3 1005 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [1,0,0,0,0,0|2,0,0]=3 1006 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [1,0,0,0,0,0|2,0,0]=3 1007 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,0,0,0,0,0|2,0,0]=3 1008 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,0,0,0,0,0|2,0,0]=3 1009 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,0,0,0,0,0|2,0,0]=3 1010 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,0,0,0,0,0|2,0,0]=3 1011 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,0,0,0,0,0|2,0,0]=3 1012 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,0,0,0,0,0|2,0,0]=3 1013 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [1,0,0,0,0,0|2,0,0]=3 1014 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [1,0,0,0,0,0|2,0,0]=3 1015 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [1,0,0,0,0,0|2,0,0]=3 1016 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [1,0,0,0,0,0|2,0,0]=3 1017 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [1,0,0,0,0,0|2,0,0]=3 1018 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [1,0,0,0,0,0|2,0,0]=3 1019 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [1,0,0,0,0,0|3,0,0]=4 1020 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [1,0,0,0,0,0|3,0,0]=4 1021 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [1,0,0,0,0,0|3,0,0]=4 1022 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [1,0,0,0,0,0|3,0,0]=4 1023 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [1,0,0,0,0,0|3,0,0]=4 1024 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [1,0,0,0,0,0|2,0,0]=3 1025 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [1,0,0,0,0,0|2,0,0]=3 1026 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [1,0,0,0,0,0|2,0,0]=3 1027 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [1,0,0,0,0,0|3,0,0]=4 1028 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [1,0,0,0,0,0|3,0,0]=4 1029 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [1,0,0,0,0,0|3,0,0]=4 1030 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [1,0,0,0,0,0|3,0,0]=4 1031 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [1,0,0,0,0,0|3,0,0]=4 1032 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [1,0,0,0,0,0|3,0,0]=4 1033 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [1,0,0,0,0,0|3,0,0]=4 1034 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [1,0,0,0,0,0|2,0,0]=3 1035 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [1,0,0,0,0,0|2,0,0]=3 1036 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [1,0,0,0,0,0|3,0,0]=4 1037 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [1,0,0,0,0,0|3,0,0]=4 1038 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [1,0,0,0,0,0|3,0,0]=4 1039 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [1,0,0,0,0,0|3,0,0]=4 1040 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [1,0,0,0,0,0|2,0,0]=3 1041 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [1,0,0,0,0,0|2,0,0]=3 1042 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [1,0,0,0,0,0|2,0,0]=3 1043 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [1,0,0,0,0,0|3,0,0]=4 1044 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [1,0,0,0,0,0|3,0,0]=4 1045 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [1,0,0,0,0,0|3,0,0]=4 1046 B9R0.2 CCCCNCCN(C)C 7a_106832991798_100000755713 [1,0,0,0,0,0|3,0,0]=4 1047 B9R0.2 CCCCNCOC(C)C 2230a_100000102301_100000709892 [1,0,0,0,0,0|3,0,0]=4 1048 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [1,0,0,0,0,0|3,0,0]=4 1049 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [1,0,0,0,0,0|2,0,0]=3 1050 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [1,0,0,0,0,0|2,0,0]=3 1051 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [1,0,0,0,0,0|2,0,0]=3 1052 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [1,0,0,0,0,0|2,0,0]=3 1053 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [1,0,0,0,0,0|3,0,0]=4 1054 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [1,0,0,0,0,0|3,0,0]=4 1055 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [1,0,0,0,0,0|3,0,0]=4 1056 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [1,0,0,0,0,0|3,0,0]=4 1057 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [1,0,0,0,0,0|3,0,0]=4 1058 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [1,0,0,0,0,0|3,0,0]=4 1059 B9R0.2 CCCCOCNC(C)C 2230a_100138425928_100011995733 [1,0,0,0,0,0|3,0,0]=4 1060 B9R0.2 CCCCOCNC(C)C 34a_100138425928_100011995733 [1,0,0,0,0,0|3,0,0]=4 1061 B9R0.2 CCCCOCOC(C)C 34a_100000210227_100000709892 [1,0,0,0,0,0|3,0,0]=4 1062 B9R0.2 CCCCOCOC(C)C 34a_100000212225_100011995733 [1,0,0,0,0,0|3,0,0]=4 1063 B9R0.2 CCCCOCSC(C)C 62a_100000210206_100011995733 [1,0,0,0,0,0|3,0,0]=4 1064 B9R0.2 CCCCOCSC(C)C 62a_100011995733_100000210206 [1,0,0,0,0,0|3,0,0]=4 1065 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [1,0,0,0,0,0|2,0,0]=3 1066 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [1,0,0,0,0,0|2,0,0]=3 1067 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [1,0,0,0,0,0|3,0,0]=4 1068 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [1,0,0,0,0,0|3,0,0]=4 1069 B9R0.2 CCCCSCCN(C)C 62a_100000210211_100000755713 [1,0,0,0,0,0|3,0,0]=4 1070 B9R0.2 CCCCSCOC(C)C 62a_100000210211_100000709892 [1,0,0,0,0,0|3,0,0]=4 1071 B9R0.2 CCCCSCOC(C)C 62a_100000709892_100000210210 [1,0,0,0,0,0|3,0,0]=4 1072 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [1,0,0,0,0,0|2,0,0]=3 1073 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [1,0,0,0,0,0|2,0,0]=3 1074 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [1,0,0,0,0,0|3,0,0]=4 1075 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [1,0,0,0,0,0|3,0,0]=4 1076 B9R0.2 CCCNCCSC(C)C 2230a_100000731138_100000210303 [1,0,0,0,0,0|3,0,0]=4 1077 B9R0.2 CCCNCCSC(C)C 34a_100000731138_100000210303 [1,0,0,0,0,0|3,0,0]=4 1078 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [1,0,0,0,0,0|2,0,0]=3 1079 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [1,0,0,0,0,0|2,0,0]=3 1080 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [1,0,0,0,0,0|2,0,0]=3 1081 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,0,0,0,0,0|3,0,0]=4 1082 B9R0.2 CCCOCCNC(C)C 2230a_100138425928_100011215938 [1,0,0,0,0,0|3,0,0]=4 1083 B9R0.2 CCCOCCNC(C)C 2230a_100161115042_100000210206 [1,0,0,0,0,0|3,0,0]=4 1084 B9R0.2 CCCOCCNC(C)C 34a_100000224655_100000210303 [1,0,0,0,0,0|3,0,0]=4 1085 B9R0.2 CCCOCCNC(C)C 34a_100138425928_100011215938 [1,0,0,0,0,0|3,0,0]=4 1086 B9R0.2 CCCOCCNC(C)C 34a_100161115042_100000210206 [1,0,0,0,0,0|3,0,0]=4 1087 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [1,0,0,0,0,0|3,0,0]=4 1088 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [1,0,0,0,0,0|3,0,0]=4 1089 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [1,0,0,0,0,0|3,0,0]=4 1090 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [1,0,0,0,0,0|3,0,0]=4 1091 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [1,0,0,0,0,0|3,0,0]=4 1092 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [1,0,0,0,0,0|3,0,0]=4 1093 B9R0.2 CCCOCCSC(C)C 34a_100000210258_100000730970 [1,0,0,0,0,0|3,0,0]=4 1094 B9R0.2 CCCOCCSC(C)C 34a_200011212901_100000210303 [1,0,0,0,0,0|3,0,0]=4 1095 B9R0.2 CCCOCCSC(C)C 62a_100000210206_100011215938 [1,0,0,0,0,0|3,0,0]=4 1096 B9R0.2 CCCOCCSC(C)C 62a_100011215938_100000210206 [1,0,0,0,0,0|3,0,0]=4 1097 B9R0.2 CCCOCCSC(C)C 7a_200011212901_100000210303 [1,0,0,0,0,0|3,0,0]=4 1098 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [1,0,0,0,0,0|2,0,0]=3 1099 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [1,0,0,0,0,0|2,0,0]=3 1100 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [1,0,0,0,0,0|3,0,0]=4 1101 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [1,0,0,0,0,0|3,0,0]=4 1102 B9R0.2 CCCSCCCN(C)C 62a_100000210303_100000757444 [1,0,0,0,0,0|3,0,0]=4 1103 B9R0.2 CCCSCCNC(C)C 2230a_100020603323_100000210206 [1,0,0,0,0,0|3,0,0]=4 1104 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [1,0,0,0,0,0|3,0,0]=4 1105 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [1,0,0,0,0,0|3,0,0]=4 1106 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [1,0,0,0,0,0|3,0,0]=4 1107 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [1,0,0,0,0,0|3,0,0]=4 1108 B9R0.2 CCCSCCSC(C)C 62a_100000210303_100000730970 [1,0,0,0,0,0|3,0,0]=4 1109 B9R0.2 CCCSCCSC(C)C 62a_100000730970_100000210303 [1,0,0,0,0,0|3,0,0]=4 1110 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [1,0,0,0,0,0|2,0,0]=3 1111 B9R0.2 CCNCCCOC(C)C 2230a_100000737246_100000210202 [1,0,0,0,0,0|3,0,0]=4 1112 B9R0.2 CCNCCCOC(C)C 34a_100000737246_100000210202 [1,0,0,0,0,0|3,0,0]=4 1113 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [1,0,0,0,0,0|2,0,0]=3 1114 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [1,0,0,0,0,0|2,0,0]=3 1115 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [1,0,0,0,0,0|2,0,0]=3 1116 B9R0.2 CCOCCCNC(C)C 2230a_100000210961_100000210206 [1,0,0,0,0,0|3,0,0]=4 1117 B9R0.2 CCOCCCNC(C)C 2230a_100138425928_100012232248 [1,0,0,0,0,0|3,0,0]=4 1118 B9R0.2 CCOCCCNC(C)C 34a_100000182298_100000210202 [1,0,0,0,0,0|3,0,0]=4 1119 B9R0.2 CCOCCCNC(C)C 34a_100000210961_100000210206 [1,0,0,0,0,0|3,0,0]=4 1120 B9R0.2 CCOCCCNC(C)C 34a_100138425928_100012232248 [1,0,0,0,0,0|3,0,0]=4 1121 B9R0.2 CCOCCCOC(C)C 34a_100000212225_100012232248 [1,0,0,0,0,0|3,0,0]=4 1122 B9R0.2 CCOCCCOC(C)C 34a_100000757476_100000210206 [1,0,0,0,0,0|3,0,0]=4 1123 B9R0.2 CCOCCCOC(C)C 7a_100000757476_100000210206 [1,0,0,0,0,0|3,0,0]=4 1124 B9R0.2 CCOCCCSC(C)C 62a_100000210206_100012232248 [1,0,0,0,0,0|3,0,0]=4 1125 B9R0.2 CCOCCCSC(C)C 62a_100012232248_100000210206 [1,0,0,0,0,0|3,0,0]=4 1126 B9R0.2 CCOCCNCC(C)C 2230a_100000210953_100011215890 [1,0,0,0,0,0|3,0,0]=4 1127 B9R0.2 CCOCCNCC(C)C 2230a_102516460346_100000210760 [1,0,0,0,0,0|3,0,0]=4 1128 B9R0.2 CCOCCNCC(C)C 270004a_102516460346_100000210432 [1,0,0,0,0,0|3,0,0]=4 1129 B9R0.2 CCOCCNCC(C)C 34a_100000210953_100000210147 [1,0,0,0,0,0|3,0,0]=4 1130 B9R0.2 CCOCCNCC(C)C 34a_100015185251_100000210202 [1,0,0,0,0,0|3,0,0]=4 1131 B9R0.2 CCOCCNCC(C)C 34a_102516460346_100000210624 [1,0,0,0,0,0|3,0,0]=4 1132 B9R0.2 CCOCCOCC(C)C 34a_100000210136_100000210624 [1,0,0,0,0,0|3,0,0]=4 1133 B9R0.2 CCOCCOCC(C)C 34a_100000210257_100000210147 [1,0,0,0,0,0|3,0,0]=4 1134 B9R0.2 CCOCCOCC(C)C 34a_100000703358_100000210202 [1,0,0,0,0,0|3,0,0]=4 1135 B9R0.2 CCOCCOCC(C)C 7a_100000210136_100000210760 [1,0,0,0,0,0|3,0,0]=4 1136 B9R0.2 CCOCCOCC(C)C 7a_100000703358_100000210202 [1,0,0,0,0,0|3,0,0]=4 1137 B9R0.2 CCOCCSCC(C)C 34a_200000230437_100000210202 [1,0,0,0,0,0|3,0,0]=4 1138 B9R0.2 CCOCCSCC(C)C 62a_100000210147_100000210760 [1,0,0,0,0,0|3,0,0]=4 1139 B9R0.2 CCOCCSCC(C)C 62a_100000210624_100011215890 [1,0,0,0,0,0|3,0,0]=4 1140 B9R0.2 CCOCCSCC(C)C 7a_200000230437_100000210202 [1,0,0,0,0,0|3,0,0]=4 1141 B9R0.2 CCOCSCCC(C)C 62a_100000210312_100000739092 [1,0,0,0,0,0|3,0,0]=4 1142 B9R0.2 CCOCSCCC(C)C 62a_100000739092_100000210312 [1,0,0,0,0,0|3,0,0]=4 1143 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [1,0,0,0,0,0|2,0,0]=3 1144 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [1,0,0,0,0,0|2,0,0]=3 1145 B9R0.2 CCSCCCCN(C)C 62a_100000210202_100000690147 [1,0,0,0,0,0|3,0,0]=4 1146 B9R0.2 CCSCCCOC(C)C 34a_100011216438_100000210206 [1,0,0,0,0,0|3,0,0]=4 1147 B9R0.2 CCSCCCOC(C)C 7a_100011216438_100000210206 [1,0,0,0,0,0|3,0,0]=4 1148 B9R0.2 CCSCCNCC(C)C 2230a_100000106463_100000210760 [1,0,0,0,0,0|3,0,0]=4 1149 B9R0.2 CCSCCNCC(C)C 2230a_100000210953_100000757381 [1,0,0,0,0,0|3,0,0]=4 1150 B9R0.2 CCSCCNCC(C)C 270004a_100000106463_100000210432 [1,0,0,0,0,0|3,0,0]=4 1151 B9R0.2 CCSCCNCC(C)C 34a_100000210953_100000757381 [1,0,0,0,0,0|3,0,0]=4 1152 B9R0.2 CCSCCOCC(C)C 34a_100000210257_100000757381 [1,0,0,0,0,0|3,0,0]=4 1153 B9R0.2 CCSCCOCC(C)C 34a_100000212035_100000210624 [1,0,0,0,0,0|3,0,0]=4 1154 B9R0.2 CCSCCOCC(C)C 7a_100000212035_100000210760 [1,0,0,0,0,0|3,0,0]=4 1155 B9R0.2 CCSCCSCC(C)C 62a_100000210624_100000757381 [1,0,0,0,0,0|3,0,0]=4 1156 B9R0.2 CCSCCSCC(C)C 62a_100000757381_100000210760 [1,0,0,0,0,0|3,0,0]=4 1157 B9R0.2 CN(C)CCCCCC#N 2230a_100102631434_100009813376 [1,0,0,0,0,0|2,0,1]=4 1158 B9R0.2 CN(C)CCCCCC#N 269982a_100102631434_100009813376 [1,0,0,0,0,0|2,0,1]=4 1159 B9R0.2 CN(C)CCCCCC=O 2230a_100102631434_100000139337 [1,0,0,0,0,0|1,0,2]=4 1160 B9R0.2 CN(C)CCCCCC=O 269982a_100102631434_100000139337 [1,0,0,0,0,0|1,0,2]=4 1161 B9R0.2 CN(C)CCCCCCF 2230a_100102631434_100015922095 [1,0,0,0,0,0|2,0,0]=3 1162 B9R0.2 CN(C)CCCCCCF 269982a_100102631434_100015922095 [1,0,0,0,0,0|2,0,0]=3 1163 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [1,0,0,0,0,0|1,0,0]=2 1164 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [1,0,0,0,0,0|1,0,0]=2 1165 B9R0.2 CN(C)CCCCSCF 62a_100015361967_100000690147 [1,0,0,0,0,0|3,0,0]=4 1166 B9R0.2 CN(C)CCCSCCF 62a_100011217306_100000757444 [1,0,0,0,0,0|3,0,0]=4 1167 B9R0.2 CN(C)CCCSCCO 62a_100000211926_100000757444 [1,0,0,0,0,0|2,0,0]=3 1168 B9R0.2 CN(C)CCSCCCF 62a_100011934791_100000755713 [1,0,0,0,0,0|3,0,0]=4 1169 B9R0.2 CN(C)CCSCCCO 62a_100011215043_100000755713 [1,0,0,0,0,0|2,0,0]=3 1170 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [1,0,0,0,0,0|2,0,0]=3 1171 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [1,0,0,0,0,0|2,0,0]=3 1172 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [1,0,0,0,0,0|2,0,0]=3 1173 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [1,0,0,0,0,0|2,0,0]=3 1174 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [1,0,0,0,0,0|2,0,0]=3 1175 B9R0.2 CNCCCOCC(C)C 2230a_100000205972_200000210301 [1,0,0,0,0,0|3,0,0]=4 1176 B9R0.2 CNCCCOCC(C)C 34a_100000205972_200000210301 [1,0,0,0,0,0|3,0,0]=4 1177 B9R0.2 CNCCCOCC(C)C 34a_100000213112_100000210624 [1,0,0,0,0,0|3,0,0]=4 1178 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [1,0,0,0,0,0|2,0,0]=3 1179 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [1,0,0,0,0,0|2,0,0]=3 1180 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [1,0,0,0,0,0|2,0,0]=3 1181 B9R0.2 COCCCCNC(C)C 2230a_100138425928_100000730899 [1,0,0,0,0,0|3,0,0]=4 1182 B9R0.2 COCCCCNC(C)C 34a_100011521146_200000210301 [1,0,0,0,0,0|3,0,0]=4 1183 B9R0.2 COCCCCNC(C)C 34a_100138425928_100000755781 [1,0,0,0,0,0|3,0,0]=4 1184 B9R0.2 COCCCCOC(C)C 34a_100000212225_100000755781 [1,0,0,0,0,0|3,0,0]=4 1185 B9R0.2 COCCCCOC(C)C 34a_100000740925_100000210206 [1,0,0,0,0,0|3,0,0]=4 1186 B9R0.2 COCCCCSC(C)C 62a_100000210206_100000730899 [1,0,0,0,0,0|3,0,0]=4 1187 B9R0.2 COCCCCSC(C)C 62a_100000730899_100000210206 [1,0,0,0,0,0|3,0,0]=4 1188 B9R0.2 COCCCNCC(C)C 2230a_100000210953_100000740836 [1,0,0,0,0,0|3,0,0]=4 1189 B9R0.2 COCCCNCC(C)C 270004a_100150723488_100000210432 [1,0,0,0,0,0|3,0,0]=4 1190 B9R0.2 COCCCNCC(C)C 34a_100000210953_100000740836 [1,0,0,0,0,0|3,0,0]=4 1191 B9R0.2 COCCCNCC(C)C 34a_100150723488_100000210624 [1,0,0,0,0,0|3,0,0]=4 1192 B9R0.2 COCCCOCC(C)C 34a_100000210257_100000740836 [1,0,0,0,0,0|3,0,0]=4 1193 B9R0.2 COCCCOCC(C)C 34a_100000740835_100000210624 [1,0,0,0,0,0|3,0,0]=4 1194 B9R0.2 COCCCSCC(C)C 62a_100000210624_100000709357 [1,0,0,0,0,0|3,0,0]=4 1195 B9R0.2 COCCCSCC(C)C 62a_100000709357_100000210760 [1,0,0,0,0,0|3,0,0]=4 1196 B9R0.2 COCCNCCC(C)C 2230a_100000209980_100000210312 [1,0,0,0,0,0|3,0,0]=4 1197 B9R0.2 COCCNCCC(C)C 269862a_100000209980_100000185833 [1,0,0,0,0,0|3,0,0]=4 1198 B9R0.2 COCCOCCC(C)C 34a_100000210237_100000210312 [1,0,0,0,0,0|3,0,0]=4 1199 B9R0.2 COCCOCCC(C)C 34a_100000210254_100011201679 [1,0,0,0,0,0|3,0,0]=4 1200 B9R0.2 COCCOCCC(C)C 7a_100000210254_100000233755 [1,0,0,0,0,0|3,0,0]=4 1201 B9R0.2 COCCSCCC(C)C 62a_100000210312_100000233755 [1,0,0,0,0,0|3,0,0]=4 1202 B9R0.2 COCCSCCC(C)C 62a_100000233755_100000210312 [1,0,0,0,0,0|3,0,0]=4 1203 B9R0.2 COCNCCCC(C)C 2230a_200000737386_100000766300 [1,0,0,0,0,0|3,0,0]=4 1204 B9R0.2 COCSCCCC(C)C 62a_100000766300_100011214892 [1,0,0,0,0,0|3,0,0]=4 1205 B9R0.2 COCSCCCC(C)C 62a_100011214892_100000766300 [1,0,0,0,0,0|3,0,0]=4 1206 B9R0.2 CS(=O)CCCNCCO 2230a_200000753449_100000211926 [1,0,0,0,0,0|3,0,0]=4 1207 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [1,0,0,0,0,0|2,0,0]=3 1208 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [1,0,0,0,0,0|2,0,0]=3 1209 B9R0.2 CSCCCCOC(C)C 34a_100011217163_100000210206 [1,0,0,0,0,0|3,0,0]=4 1210 B9R0.2 CSCCCCOC(C)C 7a_100011217163_100000210206 [1,0,0,0,0,0|3,0,0]=4 1211 B9R0.2 CSCCCNCC(C)C 2230a_100000749238_100000210760 [1,0,0,0,0,0|3,0,0]=4 1212 B9R0.2 CSCCCNCC(C)C 270004a_100000749238_100000210432 [1,0,0,0,0,0|3,0,0]=4 1213 B9R0.2 CSCCCOCC(C)C 34a_100000690336_100000210624 [1,0,0,0,0,0|3,0,0]=4 1214 B9R0.2 CSCCCOCC(C)C 7a_100000690336_100000210760 [1,0,0,0,0,0|3,0,0]=4 1215 B9R0.2 CSCCNCCC(C)C 2230a_100020590264_100000210312 [1,0,0,0,0,0|3,0,0]=4 1216 B9R0.2 CSCCNCCC(C)C 269862a_100020590264_100000185833 [1,0,0,0,0,0|3,0,0]=4 1217 B9R0.2 CSCCOCCC(C)C 34a_100000210254_100000212216 [1,0,0,0,0,0|3,0,0]=4 1218 B9R0.2 CSCCOCCC(C)C 34a_100000230434_100000210312 [1,0,0,0,0,0|3,0,0]=4 1219 B9R0.2 CSCCOCCC(C)C 7a_100000210254_100000212216 [1,0,0,0,0,0|3,0,0]=4 1220 B9R0.2 CSCCOCCC(C)C 7a_100000230434_100000210626 [1,0,0,0,0,0|3,0,0]=4 1221 B9R0.2 CSCCSCCC(C)C 62a_100000210312_100000751147 [1,0,0,0,0,0|3,0,0]=4 1222 B9R0.2 CSCCSCCC(C)C 62a_100000212216_100000210312 [1,0,0,0,0,0|3,0,0]=4 1223 B9R0.2 CSCNCCCC(C)C 2230a_200000737386_100011218213 [1,0,0,0,0,0|3,0,0]=4 1224 B9R0.2 CSCNCCCC(C)C 34a_200000737386_100011218213 [1,0,0,0,0,0|3,0,0]=4 1225 B9R0.2 CSCOCCCC(C)C 34a_100000210774_100011218213 [1,0,0,0,0,0|3,0,0]=4 1226 B9R0.2 CSCSCCCC(C)C 62a_100011214892_100011218213 [1,0,0,0,0,0|3,0,0]=4 1227 B9R0.2 CSCSCCCC(C)C 62a_100011218213_100011214892 [1,0,0,0,0,0|3,0,0]=4 1228 B9R0.2 C[C@@H](Cl)COCCCCF 34a_100016084084_100000729493 [1,0,0,0,0,0|3,0,0]=4 1229 B9R0.2 C[C@@H](Cl)COCCCCO 34a_100016084084_100011216708 [1,0,0,0,0,0|2,0,0]=3 1230 B9R0.2 C[C@@H](N)CCOCCCF 34a_100000706166_100011934791 [1,0,0,0,0,0|3,0,0]=4 1231 B9R0.2 C[C@@H](N)CCOCCCO 34a_100000706166_100000230001 [1,0,0,0,0,0|2,0,0]=3 1232 B9R0.2 C[C@@H](N)COCCCCF 34a_100000737577_100000729493 [1,0,0,0,0,0|3,0,0]=4 1233 B9R0.2 C[C@@H](N)COCCCCO 34a_100000737577_100011216708 [1,0,0,0,0,0|2,0,0]=3 1234 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [1,0,0,0,0,0|2,0,0]=3 1235 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [1,0,0,0,0,0|2,0,0]=3 1236 B9R0.2 C[C@@H](O)COCCCCBr 34a_100011216708_100009817552 [1,0,0,0,0,0|3,0,0]=4 1237 B9R0.2 C[C@@H](O)COCCCCCl 34a_100000210776_100009817552 [1,0,0,0,0,0|3,0,0]=4 1238 B9R0.2 C[C@@H](O)COCCCCCl 7a_100000210776_100009817552 [1,0,0,0,0,0|3,0,0]=4 1239 B9R0.2 C[C@@H](O)COCCCCF 34a_100011995726_100009817552 [1,0,0,0,0,0|3,0,0]=4 1240 B9R0.2 C[C@@H](O)COCCCCF 7a_100011995726_100009817552 [1,0,0,0,0,0|3,0,0]=4 1241 B9R0.2 C[C@@H](O)COCCCCI 34a_200012148704_100009817552 [1,0,0,0,0,0|3,0,0]=4 1242 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [1,0,0,0,0,0|3,0,0]=4 1243 B9R0.2 C[C@@H](O)CSCCCCF 62a_100000729493_100009817552 [1,0,0,0,0,0|3,0,0]=4 1244 B9R0.2 C[C@@H](O)CSCCCCF 62a_100009817552_100000729493 [1,0,0,0,0,0|3,0,0]=4 1245 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [1,0,0,0,0,0|2,0,0]=3 1246 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [1,0,0,0,0,0|2,0,0]=3 1247 B9R0.2 OCCCCNCC(F)F 2230a_100000750430_100011934356 [1,0,0,0,0,0|3,0,0]=4 1248 B9R0.2 OCCCCNCC(F)F 34a_100000750430_100011934356 [1,0,0,0,0,0|3,0,0]=4 1249 B9R0.2 OCCCCNCC(F)F 34a_100000765723_100011216708 [1,0,0,0,0,0|3,0,0]=4 1250 B9R0.2 OCCCCOCC(F)F 34a_100000743014_100011216708 [1,0,0,0,0,0|3,0,0]=4 1251 B9R0.2 OCCCCSCC(F)F 62a_100000210776_100011934356 [1,0,0,0,0,0|3,0,0]=4 1252 B9R0.2 OCCCCSCC(F)F 62a_100011934356_100000210776 [1,0,0,0,0,0|3,0,0]=4 1253 B9R0.2 OCCCOCCC(F)F 34a_100103093639_100000230001 [1,0,0,0,0,0|3,0,0]=4 1254 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,0,0,0,0,0|1,0,1]=3 1255 B9R0.5 C#CCC(C)OCCCC 34a_100000685586_100000210210 [1,0,0,0,0,0|2,0,1]=4 1256 B9R0.5 C#CCC(C)OCCCC 7a_100000685586_100000210211 [1,0,0,0,0,0|2,0,1]=4 1257 B9R0.5 C#CCCCN(C)CCO 2230a_100000210263_100000731252 [1,0,0,0,0,0|1,0,2]=4 1258 B9R0.5 C#CCCCN(C)CCO 269982a_100000210263_100011215417 [1,0,0,0,0,0|1,0,2]=4 1259 B9R0.5 C#CCCNC(C)CCO 34a_100000755551_100009893172 [1,0,0,0,0,0|1,0,2]=4 1260 B9R0.5 C#CCCN[C@H](C)CCO 2230a_100000706166_100000688953 [1,0,0,0,0,0|1,0,2]=4 1261 B9R0.5 C#CCCN[C@H](C)CCO 34a_100000706166_100000688953 [1,0,0,0,0,0|1,0,2]=4 1262 B9R0.5 C#CCCOC(C)CCO 34a_100011215631_100009893172 [1,0,0,0,0,0|1,0,2]=4 1263 B9R0.5 C#CCCSC(C)CCO 62a_100000688953_100009893172 [1,0,0,0,0,0|1,0,2]=4 1264 B9R0.5 C#CCCSC(C)CCO 62a_100009893172_100000688953 [1,0,0,0,0,0|1,0,2]=4 1265 B9R0.5 C#CCN(C)CCCCC 2230a_100000223495_100000038162 [1,0,0,0,0,0|2,0,1]=4 1266 B9R0.5 C#CCN(C)CCCCC 2230a_100000225692_100000210326 [1,0,0,0,0,0|2,0,1]=4 1267 B9R0.5 C#CCN(C)CCCCC 34a_100000225692_100000718602 [1,0,0,0,0,0|2,0,1]=4 1268 B9R0.5 C/C=C/CN[C@H](C)CCO 34a_100000706166_100102629194 [1,0,0,0,0,0|1,0,2]=4 1269 B9R0.5 C/C=C/COC(C)CCO 34a_100016270725_100009893172 [1,0,0,0,0,0|1,0,2]=4 1270 B9R0.5 C/C=C/CSC(C)CCO 62a_100009893172_100102629194 [1,0,0,0,0,0|1,0,2]=4 1271 B9R0.5 C/C=C/CSC(C)CCO 62a_100102629194_100009893172 [1,0,0,0,0,0|1,0,2]=4 1272 B9R0.5 C=CCC(C)COCCC 34a_100009832082_100000210303 [1,0,0,0,0,0|2,0,1]=4 1273 B9R0.5 C=CCC(C)COCCC 7a_100009832082_100000210303 [1,0,0,0,0,0|2,0,1]=4 1274 B9R0.5 C=CCCCN(C)CCO 2230a_100000210263_100011713584 [1,0,0,0,0,0|1,0,2]=4 1275 B9R0.5 C=CCCCN(C)CCO 269982a_100000210263_100000757094 [1,0,0,0,0,0|1,0,2]=4 1276 B9R0.5 C=CCCNC(C)CCO 2230a_100015191253_100009893172 [1,0,0,0,0,0|1,0,2]=4 1277 B9R0.5 C=CCCN[C@H](C)CCO 2230a_100000706166_100000754431 [1,0,0,0,0,0|1,0,2]=4 1278 B9R0.5 C=CCCN[C@H](C)CCO 34a_100000706166_100000754431 [1,0,0,0,0,0|1,0,2]=4 1279 B9R0.5 C=CCCOC(C)CCO 34a_100011205117_100009893172 [1,0,0,0,0,0|1,0,2]=4 1280 B9R0.5 C=CCCSC(C)CCO 62a_100000754431_100009893172 [1,0,0,0,0,0|1,0,2]=4 1281 B9R0.5 C=CCCSC(C)CCO 62a_100009893172_100000754431 [1,0,0,0,0,0|1,0,2]=4 1282 B9R0.5 C=CCN(C)CCCCC 2230a_100000223495_100000210623 [1,0,0,0,0,0|2,0,1]=4 1283 B9R0.5 C=CCN(C)CCCCC 2230a_100000225617_100000210326 [1,0,0,0,0,0|2,0,1]=4 1284 B9R0.5 C=CCN(C)CCCCC 269982a_100000223495_100000210623 [1,0,0,0,0,0|2,0,1]=4 1285 B9R0.5 C=CCN(C)CCCCC 269982a_100000225617_100000210215 [1,0,0,0,0,0|2,0,1]=4 1286 B9R0.5 C=CC[C@@H](C)OCCCC 34a_100000731007_100000210210 [1,0,0,0,0,0|2,0,1]=4 1287 B9R0.5 C=CC[C@@H](C)OCCCC 7a_100000731007_100000210211 [1,0,0,0,0,0|2,0,1]=4 1288 B9R0.5 CC#CCNC(C)CCO 2230a_100000685387_100009893172 [1,0,0,0,0,0|1,0,2]=4 1289 B9R0.5 CC#CCNC(C)CCO 34a_100000685387_100009893172 [1,0,0,0,0,0|1,0,2]=4 1290 B9R0.5 CC#CCN[C@H](C)CCO 2230a_100000706166_100000748600 [1,0,0,0,0,0|1,0,2]=4 1291 B9R0.5 CC#CCN[C@H](C)CCO 34a_100000706166_100000748600 [1,0,0,0,0,0|1,0,2]=4 1292 B9R0.5 CC#CCOC(C)CCO 34a_100000761923_100009893172 [1,0,0,0,0,0|1,0,2]=4 1293 B9R0.5 CC#CCSC(C)CCO 62a_100000748600_100009893172 [1,0,0,0,0,0|1,0,2]=4 1294 B9R0.5 CC#CCSC(C)CCO 62a_100009893172_100000748600 [1,0,0,0,0,0|1,0,2]=4 1295 B9R0.5 CC(CCBr)OCCCF 34a_100012276601_100011934791 [1,0,0,0,0,0|3,0,0]=4 1296 B9R0.5 CC(CCBr)OCCCO 34a_100012276601_100000230001 [1,0,0,0,0,0|3,0,0]=4 1297 B9R0.5 CC(CCN)COCCF 34a_106354213184_100011217306 [1,0,0,0,0,0|3,0,0]=4 1298 B9R0.5 CC(CCN)COCCO 34a_106354213184_100000211926 [1,0,0,0,0,0|3,0,0]=4 1299 B9R0.5 CC(CCO)NCCCF 2230a_100015189416_100009893172 [1,0,0,0,0,0|2,0,0]=3 1300 B9R0.5 CC(CCO)NCCCF 34a_100015189416_100009893172 [1,0,0,0,0,0|2,0,0]=3 1301 B9R0.5 CC(CCO)OCCCBr 34a_100011217188_100009893172 [1,0,0,0,0,0|2,0,0]=3 1302 B9R0.5 CC(CCO)OCCCCl 34a_100000230001_100009893172 [1,0,0,0,0,0|2,0,0]=3 1303 B9R0.5 CC(CCO)OCCCF 34a_100000759539_100009893172 [1,0,0,0,0,0|2,0,0]=3 1304 B9R0.5 CC(CCO)OCCCN 34a_100000182051_100009893172 [1,0,0,0,0,0|2,0,0]=3 1305 B9R0.5 CC(CCO)OCCON 34a_100000700252_100009893172 [1,0,0,0,0,0|3,0,0]=4 1306 B9R0.5 CC(CCO)SCCC#N 62a_100009893172_100011215226 [1,0,0,0,0,0|2,0,1]=4 1307 B9R0.5 CC(CCO)SCCC#N 62a_100011215226_100009893172 [1,0,0,0,0,0|2,0,1]=4 1308 B9R0.5 CC(CCO)SCCCF 62a_100009893172_100011934791 [1,0,0,0,0,0|2,0,0]=3 1309 B9R0.5 CC(CCO)SCCCF 62a_100011934791_100009893172 [1,0,0,0,0,0|2,0,0]=3 1310 B9R0.5 CC(CCO)SCCCO 62a_100009893172_100011215043 [1,0,0,0,0,0|2,0,0]=3 1311 B9R0.5 CC(CCO)SCCCO 62a_100011215043_100009893172 [1,0,0,0,0,0|2,0,0]=3 1312 B9R0.5 CC/C=C\CN(C)CCO 2230a_100000210263_100103147603 [1,0,0,0,0,0|1,0,2]=4 1313 B9R0.5 CC/C=C\CN(C)CCO 269982a_100000210263_100103147603 [1,0,0,0,0,0|1,0,2]=4 1314 B9R0.5 CC=CCN[C@H](C)CCO 2230a_100000706166_100000070051 [1,0,0,0,0,0|1,0,2]=4 1315 B9R0.5 CC=CCN[C@H](C)CCO 34a_100000706166_100000070051 [1,0,0,0,0,0|1,0,2]=4 1316 B9R0.5 CC=CCSC(C)CCO 62a_100000070051_100009893172 [1,0,0,0,0,0|1,0,2]=4 1317 B9R0.5 CC=CCSC(C)CCO 62a_100009893172_100000070051 [1,0,0,0,0,0|1,0,2]=4 1318 B9R0.5 CCC#CCN(C)CCO 2230a_100000210263_100009813939 [1,0,0,0,0,0|1,0,2]=4 1319 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [1,0,0,0,0,0|2,0,0]=3 1320 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [1,0,0,0,0,0|2,0,0]=3 1321 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [1,0,0,0,0,0|2,0,0]=3 1322 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [1,0,0,0,0,0|2,0,0]=3 1323 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [1,0,0,0,0,0|2,0,0]=3 1324 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [1,0,0,0,0,0|2,0,0]=3 1325 B9R0.5 CCCC(C)CCOCF 34a_100011217855_100015361967 [1,0,0,0,0,0|3,0,0]=4 1326 B9R0.5 CCCC(C)CCOCF 7a_100011217855_100015361967 [1,0,0,0,0,0|3,0,0]=4 1327 B9R0.5 CCCC(C)CNCCF 34a_100000724931_100011216630 [1,0,0,0,0,0|3,0,0]=4 1328 B9R0.5 CCCC(C)CNCCO 2230a_100016997473_100011216630 [1,0,0,0,0,0|3,0,0]=4 1329 B9R0.5 CCCC(C)CNCCO 270004a_100000210304_100000243154 [1,0,0,0,0,0|3,0,0]=4 1330 B9R0.5 CCCC(C)CNCCO 34a_100016990907_100011216630 [1,0,0,0,0,0|3,0,0]=4 1331 B9R0.5 CCCC(C)COCCBr 34a_100000211926_100011216630 [1,0,0,0,0,0|3,0,0]=4 1332 B9R0.5 CCCC(C)COCCF 34a_100000688023_100011217306 [1,0,0,0,0,0|3,0,0]=4 1333 B9R0.5 CCCC(C)COCCF 7a_100000688023_100011217306 [1,0,0,0,0,0|3,0,0]=4 1334 B9R0.5 CCCC(C)COCCN 34a_100000210304_100011216630 [1,0,0,0,0,0|3,0,0]=4 1335 B9R0.5 CCCC(C)COCCO 34a_100000688023_100000211926 [1,0,0,0,0,0|3,0,0]=4 1336 B9R0.5 CCCC(C)COCCO 7a_100000688023_100000211926 [1,0,0,0,0,0|3,0,0]=4 1337 B9R0.5 CCCC(C)COCSC 34a_100000688023_100011218213 [1,0,0,0,0,0|3,0,0]=4 1338 B9R0.5 CCCC(C)CSCCF 62a_100011216630_100011217306 [1,0,0,0,0,0|3,0,0]=4 1339 B9R0.5 CCCC(C)CSCCF 62a_100011217306_100011216630 [1,0,0,0,0,0|3,0,0]=4 1340 B9R0.5 CCCC(C)CSCCO 62a_100000211926_100011216630 [1,0,0,0,0,0|3,0,0]=4 1341 B9R0.5 CCCC(C)CSCCO 62a_100011216630_100000211926 [1,0,0,0,0,0|3,0,0]=4 1342 B9R0.5 CCCC(C)CSCOC 62a_100000766300_100011216630 [1,0,0,0,0,0|3,0,0]=4 1343 B9R0.5 CCCC(C)CSCOC 62a_100011216630_100000766300 [1,0,0,0,0,0|3,0,0]=4 1344 B9R0.5 CCCC(C)CSCSC 62a_100011216630_100011218213 [1,0,0,0,0,0|3,0,0]=4 1345 B9R0.5 CCCC(C)CSCSC 62a_100011218213_100011216630 [1,0,0,0,0,0|3,0,0]=4 1346 B9R0.5 CCCC(C)NCCCF 2230a_100000741246_100011934791 [1,0,0,0,0,0|3,0,0]=4 1347 B9R0.5 CCCC(C)NCCCF 2230a_100015189416_100000766640 [1,0,0,0,0,0|3,0,0]=4 1348 B9R0.5 CCCC(C)NCCCF 270004a_100015189416_100000211909 [1,0,0,0,0,0|3,0,0]=4 1349 B9R0.5 CCCC(C)NCCCF 34a_100015189416_100000766640 [1,0,0,0,0,0|3,0,0]=4 1350 B9R0.5 CCCC(C)NCCCO 2230a_100000741246_100000230001 [1,0,0,0,0,0|3,0,0]=4 1351 B9R0.5 CCCC(C)NCCCO 270004a_100000182051_100000211909 [1,0,0,0,0,0|3,0,0]=4 1352 B9R0.5 CCCC(C)NCCOC 2230a_100000209980_100000766640 [1,0,0,0,0,0|3,0,0]=4 1353 B9R0.5 CCCC(C)NCCOC 2230a_100000741246_100011201679 [1,0,0,0,0,0|3,0,0]=4 1354 B9R0.5 CCCC(C)NCCOC 270004a_100000209980_100000211909 [1,0,0,0,0,0|3,0,0]=4 1355 B9R0.5 CCCC(C)NCCSC 2230a_100000741246_100000751147 [1,0,0,0,0,0|3,0,0]=4 1356 B9R0.5 CCCC(C)NCCSC 2230a_100020590264_100000766640 [1,0,0,0,0,0|3,0,0]=4 1357 B9R0.5 CCCC(C)NCCSC 270004a_100020590264_100000211909 [1,0,0,0,0,0|3,0,0]=4 1358 B9R0.5 CCCC(C)OCCCBr 34a_100011217188_100000766640 [1,0,0,0,0,0|3,0,0]=4 1359 B9R0.5 CCCC(C)OCCCCl 34a_100000230001_100000766640 [1,0,0,0,0,0|3,0,0]=4 1360 B9R0.5 CCCC(C)OCCCF 34a_100000759539_100000766640 [1,0,0,0,0,0|3,0,0]=4 1361 B9R0.5 CCCC(C)OCCCF 34a_100000764384_100011934791 [1,0,0,0,0,0|3,0,0]=4 1362 B9R0.5 CCCC(C)OCCCF 7a_100000764384_100011934791 [1,0,0,0,0,0|3,0,0]=4 1363 B9R0.5 CCCC(C)OCCCN 34a_100000182051_100000766640 [1,0,0,0,0,0|3,0,0]=4 1364 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [1,0,0,0,0,0|3,0,0]=4 1365 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [1,0,0,0,0,0|3,0,0]=4 1366 B9R0.5 CCCC(C)OCCOC 34a_100000210237_100000766640 [1,0,0,0,0,0|3,0,0]=4 1367 B9R0.5 CCCC(C)OCCOC 34a_100000764384_100011201679 [1,0,0,0,0,0|3,0,0]=4 1368 B9R0.5 CCCC(C)OCCOC 7a_100000764384_100000233755 [1,0,0,0,0,0|3,0,0]=4 1369 B9R0.5 CCCC(C)OCCSC 34a_100000230434_100000766640 [1,0,0,0,0,0|3,0,0]=4 1370 B9R0.5 CCCC(C)OCCSC 34a_100000764384_100000212216 [1,0,0,0,0,0|3,0,0]=4 1371 B9R0.5 CCCC(C)OCCSC 7a_100000230434_100000766640 [1,0,0,0,0,0|3,0,0]=4 1372 B9R0.5 CCCC(C)OCCSC 7a_100000764384_100000212216 [1,0,0,0,0,0|3,0,0]=4 1373 B9R0.5 CCCC(C)SCCCF 62a_100000766640_100011934791 [1,0,0,0,0,0|3,0,0]=4 1374 B9R0.5 CCCC(C)SCCCF 62a_100011934791_100000766640 [1,0,0,0,0,0|3,0,0]=4 1375 B9R0.5 CCCC(C)SCCCO 62a_100000766640_100011215043 [1,0,0,0,0,0|3,0,0]=4 1376 B9R0.5 CCCC(C)SCCCO 62a_100011215043_100000766640 [1,0,0,0,0,0|3,0,0]=4 1377 B9R0.5 CCCC(C)SCCOC 62a_100000233755_100000766640 [1,0,0,0,0,0|3,0,0]=4 1378 B9R0.5 CCCC(C)SCCOC 62a_100000766640_100000233755 [1,0,0,0,0,0|3,0,0]=4 1379 B9R0.5 CCCC(C)SCCSC 62a_100000212216_100000766640 [1,0,0,0,0,0|3,0,0]=4 1380 B9R0.5 CCCC(C)SCCSC 62a_100000766640_100000751147 [1,0,0,0,0,0|3,0,0]=4 1381 B9R0.5 CCCC(C)SCOCC 62a_100000739092_100000766640 [1,0,0,0,0,0|3,0,0]=4 1382 B9R0.5 CCCC(C)SCOCC 62a_100000766640_100000739092 [1,0,0,0,0,0|3,0,0]=4 1383 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,0,0,0,0,0|2,0,1]=4 1384 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,0,0,0,0,0|2,0,1]=4 1385 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,0,0,0,0,0|2,0,1]=4 1386 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,0,0,0,0,0|1,0,1]=3 1387 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,0,0,0,0,0|1,0,1]=3 1388 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [1,0,0,0,0,0|2,0,0]=3 1389 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [1,0,0,0,0,0|2,0,0]=3 1390 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [1,0,0,0,0,0|2,0,0]=3 1391 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [1,0,0,0,0,0|2,0,0]=3 1392 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [1,0,0,0,0,0|2,0,0]=3 1393 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [1,0,0,0,0,0|2,0,0]=3 1394 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [1,0,0,0,0,0|2,0,0]=3 1395 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [1,0,0,0,0,0|2,0,0]=3 1396 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [1,0,0,0,0,0|2,0,0]=3 1397 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [1,0,0,0,0,0|2,0,0]=3 1398 B9R0.5 CCCCCC(C)SCF 62a_100015361967_200011218191 [1,0,0,0,0,0|2,0,0]=3 1399 B9R0.5 CCCCCC(C)SCF 62a_200011218191_100015361967 [1,0,0,0,0,0|2,0,0]=3 1400 B9R0.5 CCCCCN(C)CC#N 2230a_100000223495_100011215382 [1,0,0,0,0,0|2,0,1]=4 1401 B9R0.5 CCCCCN(C)CC#N 2230a_100000748184_100000210326 [1,0,0,0,0,0|2,0,1]=4 1402 B9R0.5 CCCCCN(C)CC#N 269982a_100000223495_100011214920 [1,0,0,0,0,0|2,0,1]=4 1403 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [1,0,0,0,0,0|1,0,2]=4 1404 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [1,0,0,0,0,0|1,0,2]=4 1405 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [1,0,0,0,0,0|2,0,0]=3 1406 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [1,0,0,0,0,0|2,0,0]=3 1407 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [1,0,0,0,0,0|2,0,0]=3 1408 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [1,0,0,0,0,0|2,0,0]=3 1409 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [1,0,0,0,0,0|2,0,0]=3 1410 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [1,0,0,0,0,0|2,0,0]=3 1411 B9R0.5 CCCCCN(C)CCF 2230a_100000223495_100011217306 [1,0,0,0,0,0|2,0,0]=3 1412 B9R0.5 CCCCCN(C)CCF 269982a_100000223495_100011217306 [1,0,0,0,0,0|2,0,0]=3 1413 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [1,0,0,0,0,0|1,0,0]=2 1414 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [1,0,0,0,0,0|1,0,0]=2 1415 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [1,0,0,0,0,0|1,0,0]=2 1416 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [1,0,0,0,0,0|1,0,0]=2 1417 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [1,0,0,0,0,0|1,0,0]=2 1418 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [1,0,0,0,0,0|1,0,0]=2 1419 B9R0.5 CCCCCN(C)COC 2230a_100000223495_100000766300 [1,0,0,0,0,0|3,0,0]=4 1420 B9R0.5 CCCCCN(C)COC 269982a_100000223495_100000766300 [1,0,0,0,0,0|3,0,0]=4 1421 B9R0.5 CCCCCN(C)CSC 2230a_100000223495_100011218213 [1,0,0,0,0,0|3,0,0]=4 1422 B9R0.5 CCCCCN(C)CSC 269982a_100000223495_100011218213 [1,0,0,0,0,0|3,0,0]=4 1423 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [1,0,0,0,0,0|2,0,0]=3 1424 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [1,0,0,0,0,0|2,0,0]=3 1425 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [1,0,0,0,0,0|1,0,0]=2 1426 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [1,0,0,0,0,0|1,0,0]=2 1427 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [1,0,0,0,0,0|2,0,1]=4 1428 B9R0.5 CCCCNC(C)CC#N 2230a_100000102301_100009813641 [1,0,0,0,0,0|2,0,1]=4 1429 B9R0.5 CCCCNC(C)CC#N 7a_106832991798_100009813641 [1,0,0,0,0,0|2,0,1]=4 1430 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [1,0,0,0,0,0|2,0,0]=3 1431 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [1,0,0,0,0,0|2,0,0]=3 1432 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [1,0,0,0,0,0|2,0,0]=3 1433 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [1,0,0,0,0,0|2,0,0]=3 1434 B9R0.5 CCCCNC(C)CCO 2230a_100000102301_100009893172 [1,0,0,0,0,0|1,0,0]=2 1435 B9R0.5 CCCCNC(C)CCO 7a_106832991798_100009893172 [1,0,0,0,0,0|1,0,0]=2 1436 B9R0.5 CCCCNC(C)COC 2230a_100000102301_100000765312 [1,0,0,0,0,0|3,0,0]=4 1437 B9R0.5 CCCCNC(C)COC 270004a_100000102301_100000749346 [1,0,0,0,0,0|3,0,0]=4 1438 B9R0.5 CCCCNC(C)COC 7a_106832991798_100000765312 [1,0,0,0,0,0|3,0,0]=4 1439 B9R0.5 CCCCNC(C)CSC 270004a_100000102301_100011216314 [1,0,0,0,0,0|3,0,0]=4 1440 B9R0.5 CCCCN[C@@H](C)CC#N 2230a_100016994482_100000210211 [1,0,0,0,0,0|2,0,1]=4 1441 B9R0.5 CCCCN[C@H](C)CCO 2230a_100000706166_100000210211 [1,0,0,0,0,0|1,0,0]=2 1442 B9R0.5 CCCCN[C@H](C)CCO 34a_100000706166_100000210210 [1,0,0,0,0,0|1,0,0]=2 1443 B9R0.5 CCCCN[C@H](C)COC 2230a_100000764878_100000210211 [1,0,0,0,0,0|3,0,0]=4 1444 B9R0.5 CCCCOC(C)CC#N 7a_100000210227_100009813641 [1,0,0,0,0,0|2,0,1]=4 1445 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [1,0,0,0,0,0|2,0,0]=3 1446 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [1,0,0,0,0,0|2,0,0]=3 1447 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [1,0,0,0,0,0|2,0,0]=3 1448 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [1,0,0,0,0,0|2,0,0]=3 1449 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [1,0,0,0,0,0|2,0,0]=3 1450 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [1,0,0,0,0,0|1,0,0]=2 1451 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [1,0,0,0,0,0|1,0,0]=2 1452 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [1,0,0,0,0,0|3,0,0]=4 1453 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [1,0,0,0,0,0|3,0,0]=4 1454 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [1,0,0,0,0,0|3,0,0]=4 1455 B9R0.5 CCCCSC(C)CC#N 62a_100000210211_100009813641 [1,0,0,0,0,0|2,0,1]=4 1456 B9R0.5 CCCCSC(C)CC#N 62a_100009813641_100000210210 [1,0,0,0,0,0|2,0,1]=4 1457 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [1,0,0,0,0,0|2,0,0]=3 1458 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [1,0,0,0,0,0|2,0,0]=3 1459 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [1,0,0,0,0,0|1,0,0]=2 1460 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [1,0,0,0,0,0|1,0,0]=2 1461 B9R0.5 CCCCSC(C)COC 62a_100000210211_100000765312 [1,0,0,0,0,0|3,0,0]=4 1462 B9R0.5 CCCCSC(C)COC 62a_100000765312_100000210210 [1,0,0,0,0,0|3,0,0]=4 1463 B9R0.5 CCCN(C)CCCCF 2230a_100000747261_100000729493 [1,0,0,0,0,0|3,0,0]=4 1464 B9R0.5 CCCN(C)CCCCF 269982a_100000747261_100000729493 [1,0,0,0,0,0|3,0,0]=4 1465 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [1,0,0,0,0,0|3,0,0]=4 1466 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [1,0,0,0,0,0|3,0,0]=4 1467 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [1,0,0,0,0,0|3,0,0]=4 1468 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [1,0,0,0,0,0|3,0,0]=4 1469 B9R0.5 CCCN(C)CCCOC 2230a_100000224831_100000210303 [1,0,0,0,0,0|3,0,0]=4 1470 B9R0.5 CCCN(C)CCCOC 2230a_100000747261_100000740836 [1,0,0,0,0,0|3,0,0]=4 1471 B9R0.5 CCCN(C)CCCOC 269982a_100000224831_100000210303 [1,0,0,0,0,0|3,0,0]=4 1472 B9R0.5 CCCN(C)CCCOC 269982a_100000747261_100000740836 [1,0,0,0,0,0|3,0,0]=4 1473 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [1,0,0,0,0,0|3,0,0]=4 1474 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [1,0,0,0,0,0|3,0,0]=4 1475 B9R0.5 CCCN(C)CCSCC 2230a_100000747261_100000757381 [1,0,0,0,0,0|3,0,0]=4 1476 B9R0.5 CCCN(C)CCSCC 269982a_100000747261_100000757381 [1,0,0,0,0,0|3,0,0]=4 1477 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [1,0,0,0,0,0|2,0,0]=3 1478 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [1,0,0,0,0,0|2,0,1]=4 1479 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [1,0,0,0,0,0|2,0,0]=3 1480 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [1,0,0,0,0,0|2,0,0]=3 1481 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [1,0,0,0,0,0|2,0,0]=3 1482 B9R0.5 CCCOCC(C)CCN 34a_106354213184_100000210303 [1,0,0,0,0,0|2,0,0]=3 1483 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [1,0,0,0,0,0|3,0,0]=4 1484 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [1,0,0,0,0,0|2,0,1]=4 1485 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [1,0,0,0,0,0|2,0,0]=3 1486 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [1,0,0,0,0,0|2,0,0]=3 1487 B9R0.5 CCCSCC(C)NCC 270004a_100015525214_100011343953 [1,0,0,0,0,0|3,0,0]=4 1488 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [1,0,0,0,0,0|3,0,0]=4 1489 B9R0.5 CCNC(C)CCCSC 270004a_100015525214_100011399439 [1,0,0,0,0,0|3,0,0]=4 1490 B9R0.5 CCNC(C)CCOCC 270004a_100015525214_200011216536 [1,0,0,0,0,0|3,0,0]=4 1491 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [1,0,0,0,0,0|3,0,0]=4 1492 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [1,0,0,0,0,0|3,0,0]=4 1493 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,0,0,0,0,0|2,0,1]=4 1494 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,0,0,0,0,0|2,0,1]=4 1495 B9R0.5 CCOCCN(C)CCO 2230a_100000210263_100011215890 [1,0,0,0,0,0|2,0,0]=3 1496 B9R0.5 CCOCCN(C)CCO 269982a_100000210263_100011215890 [1,0,0,0,0,0|2,0,0]=3 1497 B9R0.5 CCOCSC(C)CCO 62a_100000739092_100009893172 [1,0,0,0,0,0|2,0,0]=3 1498 B9R0.5 CCOCSC(C)CCO 62a_100009893172_100000739092 [1,0,0,0,0,0|2,0,0]=3 1499 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [1,0,0,0,0,0|2,0,1]=4 1500 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [1,0,0,0,0,0|2,0,1]=4 1501 B9R0.5 CCSCCN(C)CCO 2230a_100000210263_100000757381 [1,0,0,0,0,0|2,0,0]=3 1502 B9R0.5 CCSCCN(C)CCO 269982a_100000210263_100000757381 [1,0,0,0,0,0|2,0,0]=3 1503 B9R0.5 CN(CCF)CCCCO 2230a_100000717598_100011217306 [1,0,0,0,0,0|3,0,0]=4 1504 B9R0.5 CN(CCF)CCCCO 269982a_100000717598_100011217306 [1,0,0,0,0,0|3,0,0]=4 1505 B9R0.5 CN(CCO)CCCC#N 2230a_100000210263_100000687738 [1,0,0,0,0,0|2,0,1]=4 1506 B9R0.5 CN(CCO)CCCC#N 269982a_100000210263_100000687738 [1,0,0,0,0,0|2,0,1]=4 1507 B9R0.5 CN(CCO)CCCC=O 2230a_100000210263_200011292268 [1,0,0,0,0,0|2,0,1]=4 1508 B9R0.5 CN(CCO)CCCC=O 269982a_100000210263_200011292268 [1,0,0,0,0,0|2,0,1]=4 1509 B9R0.5 CN(CCO)CCCCF 2230a_100000210263_100000729493 [1,0,0,0,0,0|2,0,0]=3 1510 B9R0.5 CN(CCO)CCCCF 269982a_100000210263_100000729493 [1,0,0,0,0,0|2,0,0]=3 1511 B9R0.5 CN(CCO)CCCCO 2230a_100000210263_100000210776 [1,0,0,0,0,0|2,0,0]=3 1512 B9R0.5 CN(CCO)CCCCO 2230a_100000717598_100000211926 [1,0,0,0,0,0|2,0,0]=3 1513 B9R0.5 CN(CCO)CCCCO 269982a_100000210263_100000210776 [1,0,0,0,0,0|2,0,0]=3 1514 B9R0.5 CN(CCO)CCCCO 269982a_100000717598_100000211926 [1,0,0,0,0,0|2,0,0]=3 1515 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [1,0,0,0,0,0|2,0,1]=4 1516 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [1,0,0,0,0,0|2,0,1]=4 1517 B9R0.5 COCCCC(C)OCF 34a_200011539412_100015361967 [1,0,0,0,0,0|3,0,0]=4 1518 B9R0.5 COCCCC(C)OCF 7a_200011539412_100015361967 [1,0,0,0,0,0|3,0,0]=4 1519 B9R0.5 COCCCN(C)CCF 2230a_100000224831_100011217306 [1,0,0,0,0,0|3,0,0]=4 1520 B9R0.5 COCCCN(C)CCF 269982a_100000224831_100011217306 [1,0,0,0,0,0|3,0,0]=4 1521 B9R0.5 COCCCN(C)CCO 2230a_100000210263_100000740836 [1,0,0,0,0,0|2,0,0]=3 1522 B9R0.5 COCCCN(C)CCO 2230a_100000224831_100000211926 [1,0,0,0,0,0|2,0,0]=3 1523 B9R0.5 COCCCN(C)CCO 269982a_100000210263_100000740836 [1,0,0,0,0,0|2,0,0]=3 1524 B9R0.5 COCCCN(C)CCO 269982a_100000224831_100000211926 [1,0,0,0,0,0|2,0,0]=3 1525 B9R0.5 COCCNC(C)CCO 2230a_100000209980_100009893172 [1,0,0,0,0,0|2,0,0]=3 1526 B9R0.5 COCCN[C@H](C)CCO 2230a_100000706166_100011201679 [1,0,0,0,0,0|2,0,0]=3 1527 B9R0.5 COCCN[C@H](C)CCO 34a_100000706166_100011201679 [1,0,0,0,0,0|2,0,0]=3 1528 B9R0.5 COCCOC(C)CCBr 34a_100012276601_100011201679 [1,0,0,0,0,0|3,0,0]=4 1529 B9R0.5 COCCOC(C)CCO 34a_100000210237_100009893172 [1,0,0,0,0,0|2,0,0]=3 1530 B9R0.5 COCCSC(C)CCO 62a_100000233755_100009893172 [1,0,0,0,0,0|2,0,0]=3 1531 B9R0.5 COCCSC(C)CCO 62a_100009893172_100000233755 [1,0,0,0,0,0|2,0,0]=3 1532 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [1,0,0,0,0,0|2,0,1]=4 1533 B9R0.5 CSCCNC(C)CCO 2230a_100020590264_100009893172 [1,0,0,0,0,0|2,0,0]=3 1534 B9R0.5 CSCCN[C@H](C)CCO 2230a_100000706166_100000751147 [1,0,0,0,0,0|2,0,0]=3 1535 B9R0.5 CSCCN[C@H](C)CCO 34a_100000706166_100000212216 [1,0,0,0,0,0|2,0,0]=3 1536 B9R0.5 CSCCOC(C)CCBr 34a_100012276601_100000212216 [1,0,0,0,0,0|3,0,0]=4 1537 B9R0.5 CSCCOC(C)CCO 34a_100000230434_100009893172 [1,0,0,0,0,0|2,0,0]=3 1538 B9R0.5 CSCCOC(C)CCO 7a_100000230434_100009893172 [1,0,0,0,0,0|2,0,0]=3 1539 B9R0.5 CSCCSC(C)CCO 62a_100000212216_100009893172 [1,0,0,0,0,0|2,0,0]=3 1540 B9R0.5 CSCCSC(C)CCO 62a_100009893172_100000751147 [1,0,0,0,0,0|2,0,0]=3 1541 B9R0.5 CSCOCC(C)CCN 34a_106354213184_100011218213 [1,0,0,0,0,0|3,0,0]=4 1542 B9R0.5 C[C@H](CCO)NCCC#N 2230a_100000706166_100011215226 [1,0,0,0,0,0|2,0,1]=4 1543 B9R0.5 C[C@H](CCO)NCCCF 2230a_100000706166_100011934791 [1,0,0,0,0,0|2,0,0]=3 1544 B9R0.5 C[C@H](CCO)NCCCF 34a_100000706166_100011934791 [1,0,0,0,0,0|2,0,0]=3 1545 B9R0.5 C[C@H](CCO)NCCCO 2230a_100000706166_100000230001 [1,0,0,0,0,0|2,0,0]=3 1546 B9R0.5 C[C@H](CCO)NCCCO 34a_100000706166_100000230001 [1,0,0,0,0,0|2,0,0]=3 1547 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [1,0,0,0,0,0|2,0,1]=4 1548 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,0,0,0,0,0|2,0,1]=4 1549 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,0,0,0,0,0|2,0,1]=4 1550 B11R0.1 C#CCC(C)OC(C)CC(C)C 34a_100000685586_100000731052 [0,1,0,0,0,0|2,0,1]=4 1551 B11R0.1 C#CCC(C)OC(C)CC(C)C 7a_100000685586_100000731052 [0,1,0,0,0,0|2,0,1]=4 1552 B11R0.1 C=CC[C@@H](C)OC(C)CC(C)C 34a_100000731007_100000731052 [0,1,0,0,0,0|2,0,1]=4 1553 B11R0.1 C=CC[C@@H](C)OC(C)CC(C)C 7a_100000731007_100000731052 [0,1,0,0,0,0|2,0,1]=4 1554 B11R0.1 CC(=CC(C)OC(C)CCO)C 34a_100000717055_100009893172 [0,1,0,0,0,0|1,0,2]=4 1555 B11R0.1 CC(C)CC(=O)N[C@H](C)CCO 240690a_100000706166_100000210554 [0,1,0,0,0,0|1,0,1]=3 1556 B11R0.1 CC(C)CC(=O)N[C@H](C)CCO 527a_100000706166_100000210554 [0,1,0,0,0,0|1,0,1]=3 1557 B11R0.1 CC(C)CC(C)NC(=O)CCO 240690a_100000692259_100011216618 [0,1,0,0,0,0|2,0,1]=4 1558 B11R0.1 CC(C)CC(C)NC(C)CC#N 2230a_100000692259_100009813641 [0,1,0,0,0,0|2,0,1]=4 1559 B11R0.1 CC(C)CC(C)NC(C)CCO 2230a_100000692259_100009893172 [0,1,0,0,0,0|1,0,0]=2 1560 B11R0.1 CC(C)CC(C)N[C@@H](C)CC#N 2230a_100016994482_100000731052 [0,1,0,0,0,0|2,0,1]=4 1561 B11R0.1 CC(C)CC(C)N[C@H](C)CCO 2230a_100000706166_100000731052 [0,1,0,0,0,0|1,0,0]=2 1562 B11R0.1 CC(C)CC(C)N[C@H](C)CCO 34a_100000706166_100000731052 [0,1,0,0,0,0|1,0,0]=2 1563 B11R0.1 CC(C)CC(C)OC(C)CC#N 7a_100000211805_100009813641 [0,1,0,0,0,0|2,0,1]=4 1564 B11R0.1 CC(C)CC(C)OC(C)CCBr 34a_100012276601_100000731052 [0,1,0,0,0,0|2,0,0]=3 1565 B11R0.1 CC(C)CC(C)OC(C)CCO 34a_100000211805_100009893172 [0,1,0,0,0,0|1,0,0]=2 1566 B11R0.1 CC(C)CC(C)OC(C)CCO 7a_100000211805_100009893172 [0,1,0,0,0,0|1,0,0]=2 1567 B11R0.1 CC(C)CC(C)SC(C)CC#N 62a_100000731052_100009813641 [0,1,0,0,0,0|2,0,1]=4 1568 B11R0.1 CC(C)CC(C)SC(C)CC#N 62a_100009813641_100000731052 [0,1,0,0,0,0|2,0,1]=4 1569 B11R0.1 CC(C)CC(C)SC(C)CCO 62a_100000731052_100009893172 [0,1,0,0,0,0|1,0,0]=2 1570 B11R0.1 CC(C)CC(C)SC(C)CCO 62a_100009893172_100000731052 [0,1,0,0,0,0|1,0,0]=2 1571 B11R0.1 CC(C)NC(=O)CN(C)CCO 2230a_100000168146_100000211926 [0,1,0,0,0,0|2,0,1]=4 1572 B11R0.1 CC(C)NC(=O)CN(C)CCO 2230a_100000210263_100000183996 [0,1,0,0,0,0|2,0,1]=4 1573 B11R0.1 CC(C)NC(=O)CN(C)CCO 269982a_100000168146_100000211926 [0,1,0,0,0,0|2,0,1]=4 1574 B11R0.1 CC(C)NC(=O)CN(C)CCO 269982a_100000210263_100000183996 [0,1,0,0,0,0|2,0,1]=4 1575 B11R0.1 CC(C)NC(=O)N[C@H](C)CCO 2708a_100138425928_100000706166 [0,1,0,0,0,0|2,0,1]=4 1576 B11R0.1 CC(C)NC(=O)N[C@H](C)CCO 512a_100000706166_100138425928 [0,1,0,0,0,0|2,0,1]=4 1577 B11R0.1 CC(C)NC(=O)N[C@H](C)CCO 512a_100138425928_100000706166 [0,1,0,0,0,0|2,0,1]=4 1578 B11R0.1 CC(C)OC(=O)CN(C)CCO 2230a_100000210263_100011215430 [0,1,0,0,0,0|2,0,1]=4 1579 B11R0.1 CC(C)OC(=O)CN(C)CCO 269982a_100000210263_100011215430 [0,1,0,0,0,0|2,0,1]=4 1580 B11R0.1 CC(CCO)SC(C)CN(C)C 62a_100009893172_100020606517 [0,1,0,0,0,0|2,0,0]=3 1581 B11R0.1 CC(CCO)SC(C)CN(C)C 62a_100020606517_100009893172 [0,1,0,0,0,0|2,0,0]=3 1582 B11R0.1 CC(CN(C)C)CN(C)CCO 2230a_100000210263_100015348159 [0,1,0,0,0,0|2,0,0]=3 1583 B11R0.1 CC(CN(C)C)CN(C)CCO 269982a_100000210263_100015348159 [0,1,0,0,0,0|2,0,0]=3 1584 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000210554_100011216630 [0,1,0,0,0,0|1,0,1]=3 1585 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000748435_100000210624 [0,1,0,0,0,0|1,0,1]=3 1586 B11R0.1 CCCC(C)CC(=O)CC(C)O 1458a_100000748435_100011218427 [0,1,0,0,0,0|2,0,1]=4 1587 B11R0.1 CCCC(C)CC(=O)CN(C)C 1458a_100000750896_100011216630 [0,1,0,0,0,0|2,0,1]=4 1588 B11R0.1 CCCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100011216630 [0,1,0,0,0,0|2,0,1]=4 1589 B11R0.1 CCCC(C)CC(=O)C[S+](C)C 1458a_200159257847_100011216630 [0,1,0,0,0,0|2,0,1]=4 1590 B11R0.1 CCCC(C)CC(=O)NC(C)C 11a_100138425928_100000748435 [0,1,0,0,0,0|2,0,1]=4 1591 B11R0.1 CCCC(C)CC(=O)NC(C)C 1626a_100138425928_100000748435 [0,1,0,0,0,0|2,0,1]=4 1592 B11R0.1 CCCC(C)CC(=O)NC(C)C 240690a_100138425928_100000748435 [0,1,0,0,0,0|2,0,1]=4 1593 B11R0.1 CCCC(C)CC(=O)NC(C)C 527a_100138425928_100000748435 [0,1,0,0,0,0|2,0,1]=4 1594 B11R0.1 CCCC(C)CN(C)CC(C)C 2230a_100000747067_100011216630 [0,1,0,0,0,0|2,0,0]=3 1595 B11R0.1 CCCC(C)CN(C)CC(C)C 269982a_100000747067_100011216630 [0,1,0,0,0,0|2,0,0]=3 1596 B11R0.1 CCCC(C)CN(C)CC(C)C 270004a_100000747067_100000243154 [0,1,0,0,0,0|2,0,0]=3 1597 B11R0.1 CCCC(C)CN(C)CC(C)O 2230a_100000227577_100011216630 [0,1,0,0,0,0|3,0,0]=4 1598 B11R0.1 CCCC(C)CN(C)CC(C)O 269982a_100000227577_100011216630 [0,1,0,0,0,0|3,0,0]=4 1599 B11R0.1 CCCC(C)CN(C)CC(C)O 270004a_100000227577_100000243154 [0,1,0,0,0,0|3,0,0]=4 1600 B11R0.1 CCCC(C)NC(=O)CC(C)C 11a_100000741246_100000210554 [0,1,0,0,0,0|2,0,1]=4 1601 B11R0.1 CCCC(C)NC(=O)CC(C)C 1626a_100000741246_100000210554 [0,1,0,0,0,0|2,0,1]=4 1602 B11R0.1 CCCC(C)NC(=O)CC(C)C 240690a_100000741246_100000210554 [0,1,0,0,0,0|2,0,1]=4 1603 B11R0.1 CCCC(C)NC(=O)CC(C)C 527a_100000741246_100000210554 [0,1,0,0,0,0|2,0,1]=4 1604 B11R0.1 CCCC(C)NC(C)CC(C)C 2230a_100000692259_100000766640 [0,1,0,0,0,0|2,0,0]=3 1605 B11R0.1 CCCC(C)NC(C)CC(C)C 2230a_100000741246_100000731052 [0,1,0,0,0,0|2,0,0]=3 1606 B11R0.1 CCCC(C)NC(C)CC(C)C 270004a_100000692259_100000211909 [0,1,0,0,0,0|2,0,0]=3 1607 B11R0.1 CCCC(C)OC(C)CC(C)C 34a_100000211805_100000766640 [0,1,0,0,0,0|2,0,0]=3 1608 B11R0.1 CCCC(C)OC(C)CC(C)C 34a_100000764384_100000731052 [0,1,0,0,0,0|2,0,0]=3 1609 B11R0.1 CCCC(C)OC(C)CC(C)C 7a_100000211805_100000766640 [0,1,0,0,0,0|2,0,0]=3 1610 B11R0.1 CCCC(C)OC(C)CC(C)C 7a_100000764384_100000731052 [0,1,0,0,0,0|2,0,0]=3 1611 B11R0.1 CCCC(C)SC(C)CC(C)C 62a_100000731052_100000766640 [0,1,0,0,0,0|2,0,0]=3 1612 B11R0.1 CCCC(C)SC(C)CC(C)C 62a_100000766640_100000731052 [0,1,0,0,0,0|2,0,0]=3 1613 B11R0.1 CCCC(C)SC(C)CN(C)C 62a_100000766640_100020606517 [0,1,0,0,0,0|3,0,0]=4 1614 B11R0.1 CCCC(C)SC(C)CN(C)C 62a_100020606517_100000766640 [0,1,0,0,0,0|3,0,0]=4 1615 B11R0.1 CCCN(C)CC(C)CN(C)C 2230a_100000747261_100015348159 [0,1,0,0,0,0|3,0,0]=4 1616 B11R0.1 CCCN(C)CC(C)CN(C)C 269982a_100000747261_100015348159 [0,1,0,0,0,0|3,0,0]=4 1617 B11R0.1 CCSC(C)CC(=O)CC(C)C 1458a_200011311441_100000210624 [0,1,0,0,0,0|2,0,1]=4 1618 B11R0.1 COCC(C)NC(C)CC(C)C 2230a_100000692259_100000765312 [0,1,0,0,0,0|3,0,0]=4 1619 B11R0.1 COCC(C)NC(C)CC(C)C 270004a_100000692259_100000749346 [0,1,0,0,0,0|3,0,0]=4 1620 B11R0.1 COCC(C)OC(C)CC(C)C 34a_100000211805_100000765312 [0,1,0,0,0,0|3,0,0]=4 1621 B11R0.1 COCC(C)OC(C)CC(C)C 7a_100000211805_100000765312 [0,1,0,0,0,0|3,0,0]=4 1622 B11R0.1 COCC(C)SC(C)CC(C)C 62a_100000731052_100000765312 [0,1,0,0,0,0|3,0,0]=4 1623 B11R0.1 COCC(C)SC(C)CC(C)C 62a_100000765312_100000731052 [0,1,0,0,0,0|3,0,0]=4 1624 B11R0.1 COC[C@@H](C)NC(C)CC(C)C 2230a_100000764878_100000731052 [0,1,0,0,0,0|3,0,0]=4 1625 B11R0.1 COC[C@@H](C)OC(C)CC(C)C 34a_100011934205_100000731052 [0,1,0,0,0,0|3,0,0]=4 1626 B11R0.1 CSCC(C)NC(C)CC(C)C 270004a_100000692259_100011216314 [0,1,0,0,0,0|3,0,0]=4 1627 B11R0.1 C[C@H](CCO)NC(=O)CN(C)C 240690a_100000706166_100000750896 [0,1,0,0,0,0|2,0,1]=4 1628 B11R0.1 C[C@H](CCO)NC(=O)CN(C)C 527a_100000706166_100000750896 [0,1,0,0,0,0|2,0,1]=4 1629 B11R0.1 C[C@H](CCO)NC(=O)C[C@@H](C)O 240690a_100000706166_100011933948 [0,1,0,0,0,0|2,0,1]=4 1630 B11R0.1 C[C@H](CCO)NC(=O)C[S+](C)C 240690a_100000706166_200159257847 [0,1,0,0,0,0|2,0,1]=4 1631 B11R0.1 C[C@H](CCO)NC(=O)C[S+](C)C 527a_100000706166_200159257847 [0,1,0,0,0,0|2,0,1]=4 1632 B11R0.6 C=C(C)CN(C)CCCC(C)C 2230a_100000225649_100011214892 [0,1,0,0,0,0|2,0,1]=4 1633 B11R0.6 C=C(C)CN(C)CCCC(C)C 269982a_100000225649_100011214892 [0,1,0,0,0,0|2,0,1]=4 1634 B11R0.6 CC(=CCCN(C)CC(C)O)C 2230a_100000227577_100011217483 [0,1,0,0,0,0|1,0,2]=4 1635 B11R0.6 CC(=CCCN(C)CC(C)O)C 269982a_100000227577_100011217483 [0,1,0,0,0,0|1,0,2]=4 1636 B11R0.6 CC(=O)CCCN(C)CC(C)O 269982a_100000227577_100011215641 [0,1,0,0,0,0|2,0,1]=4 1637 B11R0.6 CC(=O)NC(C)CCCC(C)C 11a_100000210607_100015343762 [0,1,0,0,0,0|1,0,2]=4 1638 B11R0.6 CC(=O)NC(C)CCCC(C)C 1626a_100000210607_100015343762 [0,1,0,0,0,0|1,0,2]=4 1639 B11R0.6 CC(=O)NC(C)CCCC(C)C 240690a_100000210607_100015343762 [0,1,0,0,0,0|1,0,2]=4 1640 B11R0.6 CC(=O)NC(C)CCCC(C)C 527a_100000210607_100103153847 [0,1,0,0,0,0|1,0,2]=4 1641 B11R0.6 CC(C)CC(C)NCCC(C)O 2230a_100000692259_100012276601 [0,1,0,0,0,0|3,0,0]=4 1642 B11R0.6 CC(C)CC(C)NCCC(C)O 2230a_200000755665_100000731052 [0,1,0,0,0,0|3,0,0]=4 1643 B11R0.6 CC(C)CC(C)NCOC(C)C 2230a_100000692259_100000709892 [0,1,0,0,0,0|3,0,0]=4 1644 B11R0.6 CC(C)CC(C)OCCC(C)Br 34a_100009893172_100000731052 [0,1,0,0,0,0|3,0,0]=4 1645 B11R0.6 CC(C)CC(C)OCCC(C)O 34a_100000211805_100012276601 [0,1,0,0,0,0|3,0,0]=4 1646 B11R0.6 CC(C)CC(C)OCCC(C)O 7a_100000211805_100012276601 [0,1,0,0,0,0|3,0,0]=4 1647 B11R0.6 CC(C)CC(C)OCCN(C)C 7a_100000211805_100000755713 [0,1,0,0,0,0|3,0,0]=4 1648 B11R0.6 CC(C)CC(C)OCC[C@@H](C)N 34a_100000706166_100000731052 [0,1,0,0,0,0|3,0,0]=4 1649 B11R0.6 CC(C)CC(C)OCOC(C)C 34a_100000211805_100000709892 [0,1,0,0,0,0|3,0,0]=4 1650 B11R0.6 CC(C)CC(C)SCCC(C)O 62a_100000731052_100012276601 [0,1,0,0,0,0|3,0,0]=4 1651 B11R0.6 CC(C)CC(C)SCCC(C)O 62a_100012276601_100000731052 [0,1,0,0,0,0|3,0,0]=4 1652 B11R0.6 CC(C)CC(C)SCCN(C)C 62a_100000731052_100000755713 [0,1,0,0,0,0|3,0,0]=4 1653 B11R0.6 CC(C)CC(C)SCOC(C)C 62a_100000709892_100000731052 [0,1,0,0,0,0|3,0,0]=4 1654 B11R0.6 CC(C)CC(C)SCOC(C)C 62a_100000731052_100000709892 [0,1,0,0,0,0|3,0,0]=4 1655 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100000210554_100011214892 [0,1,0,0,0,0|2,0,1]=4 1656 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100011216857_100000210624 [0,1,0,0,0,0|2,0,1]=4 1657 B11R0.6 CC(C)CCCC(=O)CC(C)O 1458a_100011216857_100011218427 [0,1,0,0,0,0|1,0,1]=3 1658 B11R0.6 CC(C)CCCC(=O)CC(F)F 1458a_100011216857_100011934356 [0,1,0,0,0,0|2,0,1]=4 1659 B11R0.6 CC(C)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011214892 [0,1,0,0,0,0|1,0,1]=3 1660 B11R0.6 CC(C)CCCC(C)NC(C)C 2230a_100000210607_100000210206 [0,1,0,0,0,0|2,0,0]=3 1661 B11R0.6 CC(C)CCCC(C)OC(C)C 34a_200011218570_100000210206 [0,1,0,0,0,0|2,0,0]=3 1662 B11R0.6 CC(C)CCCC(C)OC(C)C 7a_200011218570_100000210206 [0,1,0,0,0,0|2,0,0]=3 1663 B11R0.6 CC(C)CCCN(C)CC(=O)N 2230a_100000739694_100011214892 [0,1,0,0,0,0|1,0,2]=4 1664 B11R0.6 CC(C)CCCN(C)CC(=O)O 269956a_100000746989_100011214892 [0,1,0,0,0,0|1,0,1]=3 1665 B11R0.6 CC(C)CCCN(C)CC(C)C 2230a_100000747067_100011214892 [0,1,0,0,0,0|2,0,0]=3 1666 B11R0.6 CC(C)CCCN(C)CC(C)C 269982a_100000747067_100011214892 [0,1,0,0,0,0|2,0,0]=3 1667 B11R0.6 CC(C)CCCN(C)CC(C)O 2230a_100000227577_100011214892 [0,1,0,0,0,0|1,0,0]=2 1668 B11R0.6 CC(C)CCCN(C)CC(C)O 269982a_100000227577_100011214892 [0,1,0,0,0,0|1,0,0]=2 1669 B11R0.6 CC(C)CCNC(=O)C[C@@H](C)O 240690a_100000210545_100011933948 [0,1,0,0,0,0|2,0,1]=4 1670 B11R0.6 CC(C)CCNC(C)CC(C)C 2230a_100000692259_100000210312 [0,1,0,0,0,0|2,0,0]=3 1671 B11R0.6 CC(C)CCNC(C)CC(C)C 269862a_100000692259_100000185833 [0,1,0,0,0,0|2,0,0]=3 1672 B11R0.6 CC(C)CCNC(C)CN(C)C 269862a_100016992788_100000185833 [0,1,0,0,0,0|3,0,0]=4 1673 B11R0.6 CC(C)CCOC(C)CC(C)C 34a_100000210254_100000731052 [0,1,0,0,0,0|2,0,0]=3 1674 B11R0.6 CC(C)CCOC(C)CC(C)C 34a_100000211805_100000210312 [0,1,0,0,0,0|2,0,0]=3 1675 B11R0.6 CC(C)CCOC(C)CC(C)C 7a_100000210254_100000731052 [0,1,0,0,0,0|2,0,0]=3 1676 B11R0.6 CC(C)CCOC(C)CC(C)C 7a_100000211805_100000210626 [0,1,0,0,0,0|2,0,0]=3 1677 B11R0.6 CC(C)CCSC(C)CC(C)C 62a_100000210312_100000731052 [0,1,0,0,0,0|2,0,0]=3 1678 B11R0.6 CC(C)CCSC(C)CC(C)C 62a_100000731052_100000210312 [0,1,0,0,0,0|2,0,0]=3 1679 B11R0.6 CC(C)CCSC(C)CN(C)C 62a_100000210312_100020606517 [0,1,0,0,0,0|3,0,0]=4 1680 B11R0.6 CC(C)CCSC(C)CN(C)C 62a_100020606517_100000210312 [0,1,0,0,0,0|3,0,0]=4 1681 B11R0.6 CC(C)CN(C)CCCC(C)O 2230a_100000747067_200000718107 [0,1,0,0,0,0|3,0,0]=4 1682 B11R0.6 CC(C)CN(C)CCCC(C)O 269982a_100000747067_200000718107 [0,1,0,0,0,0|3,0,0]=4 1683 B11R0.6 CC(C)CN(C)CCCN(C)C 269982a_100000225831_100000210624 [0,1,0,0,0,0|3,0,0]=4 1684 B11R0.6 CC(C)CN(C)CCCN(C)C 269982a_100000747067_100000757444 [0,1,0,0,0,0|3,0,0]=4 1685 B11R0.6 CC(C)CN(C)CCCN(C)C 270004a_100000225831_100000210432 [0,1,0,0,0,0|3,0,0]=4 1686 B11R0.6 CC(C)CN(C)CCOC(C)C 2230a_100000747067_100000211751 [0,1,0,0,0,0|3,0,0]=4 1687 B11R0.6 CC(C)CN(C)CCOC(C)C 269982a_100000747067_100000211751 [0,1,0,0,0,0|3,0,0]=4 1688 B11R0.6 CC(C)CN(C)CCSC(C)C 2230a_100000747067_100000730970 [0,1,0,0,0,0|3,0,0]=4 1689 B11R0.6 CC(C)CN(C)CCSC(C)C 269982a_100000747067_100000730970 [0,1,0,0,0,0|3,0,0]=4 1690 B11R0.6 CC(C)CNCC(C)CN(C)C 2230a_100000210953_100015348159 [0,1,0,0,0,0|3,0,0]=4 1691 B11R0.6 CC(C)CNCC(O)CC(=O)O 269956a_100011218706_100000210760 [0,1,0,0,0,0|2,0,1]=4 1692 B11R0.6 CC(C)COCC(=O)CC(C)O 1458a_100011223364_100011218427 [0,1,0,0,0,0|2,0,1]=4 1693 B11R0.6 CC(C)COC[C@@H](N)CC(C)C 34a_100011830311_100000210624 [0,1,0,0,0,0|3,0,0]=4 1694 B11R0.6 CC(C)CSCC(C)CN(C)C 62a_100000210624_100015348159 [0,1,0,0,0,0|3,0,0]=4 1695 B11R0.6 CC(C)CSCC(C)CN(C)C 62a_100015348159_100000210760 [0,1,0,0,0,0|3,0,0]=4 1696 B11R0.6 CC(C)C[C@H](N)CCOC(C)C 34a_100161151251_100000210206 [0,1,0,0,0,0|3,0,0]=4 1697 B11R0.6 CC(C)OCCC(=O)C[C@@H](C)O 1458a_100011933948_100000211751 [0,1,0,0,0,0|2,0,1]=4 1698 B11R0.6 CC(C)OCCN(C)CC(=O)O 269956a_100000746989_100000211751 [0,1,0,0,0,0|2,0,1]=4 1699 B11R0.6 CC(C)SCCC(=O)C[C@@H](C)O 1458a_100011933948_100000730970 [0,1,0,0,0,0|2,0,1]=4 1700 B11R0.6 CC(C)SCCN(C)CC(=O)O 269956a_100000746989_100000730970 [0,1,0,0,0,0|2,0,1]=4 1701 B11R0.6 CC(O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_200000718107 [0,1,0,0,0,0|2,0,1]=4 1702 B11R0.6 CC(O)CCCN(C)CC(=O)O 269956a_100000746989_200000718107 [0,1,0,0,0,0|2,0,1]=4 1703 B11R0.6 CC(O)CCCN(C)CC(C)O 2230a_100000227577_200000718107 [0,1,0,0,0,0|2,0,0]=3 1704 B11R0.6 CC(O)CCCN(C)CC(C)O 269982a_100000227577_200000718107 [0,1,0,0,0,0|2,0,0]=3 1705 B11R0.6 CC(O)CN(C)CCCN(C)C 269982a_100000225831_100011218427 [0,1,0,0,0,0|2,0,0]=3 1706 B11R0.6 CC(O)CN(C)CCCN(C)C 269982a_100000227577_100000757444 [0,1,0,0,0,0|2,0,0]=3 1707 B11R0.6 CC(O)CN(C)CCOC(C)C 2230a_100000227577_100000211751 [0,1,0,0,0,0|2,0,0]=3 1708 B11R0.6 CC(O)CN(C)CCOC(C)C 269982a_100000227577_100000211751 [0,1,0,0,0,0|2,0,0]=3 1709 B11R0.6 CC(O)CN(C)CCSC(C)C 2230a_100000227577_100000730970 [0,1,0,0,0,0|2,0,0]=3 1710 B11R0.6 CC(O)CN(C)CCSC(C)C 269982a_100000227577_100000730970 [0,1,0,0,0,0|2,0,0]=3 1711 B11R0.6 CN(C)CCCN(C)CC(=O)O 269956a_100000746989_100000757444 [0,1,0,0,0,0|2,0,1]=4 1712 B11R0.6 CN(C)CCCN(C)CC(F)F 269982a_100000225831_100011934356 [0,1,0,0,0,0|3,0,0]=4 1713 B11R0.6 C[C@@H](O)CC(=O)CCCN(C)C 1458a_100011933948_100000695564 [0,1,0,0,0,0|2,0,1]=4 1714 B11R0.6 C[C@@H](O)CN(C)CCCN(C)C 269982a_100000225831_100009817552 [0,1,0,0,0,0|2,0,0]=3 1715 B11R0.45 C#CC(CCC)OCCC(C)C 34a_200011217317_100000210312 [0,1,0,0,0,0|2,0,1]=4 1716 B11R0.45 C#CC(CCC)OCCC(C)C 7a_200011217317_100000210626 [0,1,0,0,0,0|2,0,1]=4 1717 B11R0.45 C#CCC(CC)OCCC(C)C 34a_200011217983_100000210312 [0,1,0,0,0,0|2,0,1]=4 1718 B11R0.45 C#CCC(CC)OCCC(C)C 7a_200011217983_100000210626 [0,1,0,0,0,0|2,0,1]=4 1719 B11R0.45 C#CCN(CC)CCCC(C)C 2230a_100000744766_100011214892 [0,1,0,0,0,0|2,0,1]=4 1720 B11R0.45 C#CCN(CC)CCCC(C)C 269982a_100000744766_100011214892 [0,1,0,0,0,0|2,0,1]=4 1721 B11R0.45 C=CC(CCC)OCCC(C)C 34a_100011216692_100000210312 [0,1,0,0,0,0|2,0,1]=4 1722 B11R0.45 C=CC(CCC)OCCC(C)C 7a_100011216692_100000210626 [0,1,0,0,0,0|2,0,1]=4 1723 B11R0.45 C=CC[C@H](CO)NCCC(C)C 2230a_100020615467_100000210312 [0,1,0,0,0,0|2,0,1]=4 1724 B11R0.45 C=CC[C@H](CO)NCCC(C)C 269862a_100020615467_100000185833 [0,1,0,0,0,0|2,0,1]=4 1725 B11R0.45 CCC(COC)NCCC(C)C 2230a_100000757820_100000210312 [0,1,0,0,0,0|3,0,0]=4 1726 B11R0.45 CCC(COC)NCCC(C)C 269862a_100000757820_100000185833 [0,1,0,0,0,0|3,0,0]=4 1727 B11R0.45 CCC(COC)NCCC(C)C 270004a_100000210545_100000757811 [0,1,0,0,0,0|3,0,0]=4 1728 B11R0.45 CCC(COC)OCCC(C)C 7a_200011214946_100000210626 [0,1,0,0,0,0|3,0,0]=4 1729 B11R0.45 CCCC(C#N)OCCC(C)C 34a_100000686963_100000210312 [0,1,0,0,0,0|2,0,1]=4 1730 B11R0.45 CCCC(C#N)OCCC(C)C 7a_100000686963_100000210626 [0,1,0,0,0,0|2,0,1]=4 1731 B11R0.45 CCCC(CC)NCCC(C)C 2230a_100000747048_100000210312 [0,1,0,0,0,0|2,0,0]=3 1732 B11R0.45 CCCC(CC)NCCC(C)C 269862a_100000747048_100000185833 [0,1,0,0,0,0|2,0,0]=3 1733 B11R0.45 CCCC(CC)NCCC(C)C 270004a_100000210545_100000687865 [0,1,0,0,0,0|2,0,0]=3 1734 B11R0.45 CCCC(CC)NCCC(C)O 2230a_100000747048_100012276601 [0,1,0,0,0,0|3,0,0]=4 1735 B11R0.45 CCCC(CC)NCCC(C)O 270004a_200000755665_100000687865 [0,1,0,0,0,0|3,0,0]=4 1736 B11R0.45 CCCC(CC)NCCN(C)C 270004a_100000210585_100000687865 [0,1,0,0,0,0|3,0,0]=4 1737 B11R0.45 CCCC(CC)NCOC(C)C 2230a_100000747048_100000709892 [0,1,0,0,0,0|3,0,0]=4 1738 B11R0.45 CCCC(CC)OCCC(C)C 34a_100000687864_100000210312 [0,1,0,0,0,0|2,0,0]=3 1739 B11R0.45 CCCC(CC)OCCC(C)C 7a_100000210254_100011219200 [0,1,0,0,0,0|2,0,0]=3 1740 B11R0.45 CCCC(CC)OCCC(C)C 7a_100000687864_100000210626 [0,1,0,0,0,0|2,0,0]=3 1741 B11R0.45 CCCC(CC)OCCC(C)O 34a_100000687864_100012276601 [0,1,0,0,0,0|3,0,0]=4 1742 B11R0.45 CCCC(CC)OCCC(C)O 7a_100000687864_100012276601 [0,1,0,0,0,0|3,0,0]=4 1743 B11R0.45 CCCC(CC)OCCN(C)C 7a_100000687864_100000755713 [0,1,0,0,0,0|3,0,0]=4 1744 B11R0.45 CCCC(CC)OCOC(C)C 34a_100000687864_100000709892 [0,1,0,0,0,0|3,0,0]=4 1745 B11R0.45 CCCC(CC)SCCC(C)C 62a_100000210312_100011219200 [0,1,0,0,0,0|2,0,0]=3 1746 B11R0.45 CCCC(CC)SCCC(C)C 62a_100011219200_100000210312 [0,1,0,0,0,0|2,0,0]=3 1747 B11R0.45 CCCC(CC)SCCC(C)O 62a_100011219200_100012276601 [0,1,0,0,0,0|3,0,0]=4 1748 B11R0.45 CCCC(CC)SCCC(C)O 62a_100012276601_100011219200 [0,1,0,0,0,0|3,0,0]=4 1749 B11R0.45 CCCC(CC)SCCN(C)C 62a_100011219200_100000755713 [0,1,0,0,0,0|3,0,0]=4 1750 B11R0.45 CCCC(CC)SCOC(C)C 62a_100000709892_100011219200 [0,1,0,0,0,0|3,0,0]=4 1751 B11R0.45 CCCC(CC)SCOC(C)C 62a_100011219200_100000709892 [0,1,0,0,0,0|3,0,0]=4 1752 B11R0.45 CCCC(CCOC(C)C)SC 34a_100000032865_100000210206 [0,1,0,0,0,0|2,0,0]=3 1753 B11R0.45 CCCC(CCOC(C)C)SC 7a_100000032865_100000210206 [0,1,0,0,0,0|2,0,0]=3 1754 B11R0.45 CCCN(CC)CCCC(C)C 2230a_100000226822_100011214892 [0,1,0,0,0,0|2,0,0]=3 1755 B11R0.45 CCCN(CC)CCCC(C)C 269982a_100000226822_100011214892 [0,1,0,0,0,0|2,0,0]=3 1756 B11R0.45 CCCN(CC)CCCC(C)O 2230a_100000226822_200000718107 [0,1,0,0,0,0|3,0,0]=4 1757 B11R0.45 CCCN(CC)CCCC(C)O 269982a_100000226822_200000718107 [0,1,0,0,0,0|3,0,0]=4 1758 B11R0.45 CCCN(CC)CCCN(C)C 269982a_100000225837_100000210303 [0,1,0,0,0,0|3,0,0]=4 1759 B11R0.45 CCCN(CC)CCCN(C)C 269982a_100000226822_100000757444 [0,1,0,0,0,0|3,0,0]=4 1760 B11R0.45 CCCN(CC)CCCN(C)C 269982a_100000717312_100000204670 [0,1,0,0,0,0|3,0,0]=4 1761 B11R0.45 CCCN(CC)CCOC(C)C 2230a_100000226822_100000211751 [0,1,0,0,0,0|3,0,0]=4 1762 B11R0.45 CCCN(CC)CCOC(C)C 269982a_100000226822_100000211751 [0,1,0,0,0,0|3,0,0]=4 1763 B11R0.45 CCCN(CC)CCSC(C)C 2230a_100000226822_100000730970 [0,1,0,0,0,0|3,0,0]=4 1764 B11R0.45 CCCN(CC)CCSC(C)C 269982a_100000226822_100000730970 [0,1,0,0,0,0|3,0,0]=4 1765 B11R0.45 CCCN(CF)CCCN(C)C 269982a_100000717312_100015361967 [0,1,0,0,0,0|3,0,0]=4 1766 B11R0.45 CCC[C@@H](CO)NCCC(C)C 2230a_100000732646_100000210312 [0,1,0,0,0,0|2,0,0]=3 1767 B11R0.45 CCC[C@@H](CO)NCCC(C)C 269862a_100000732646_100000185833 [0,1,0,0,0,0|2,0,0]=3 1768 B11R0.45 CCC[C@@H](CO)NCCC(C)C 34a_100000732646_100000210312 [0,1,0,0,0,0|2,0,0]=3 1769 B11R0.45 CCC[C@@H](CO)NCCC(C)O 2230a_100000732646_100012276601 [0,1,0,0,0,0|3,0,0]=4 1770 B11R0.45 CCC[C@@H](CO)NCCC(C)O 34a_100000732646_100012276601 [0,1,0,0,0,0|3,0,0]=4 1771 B11R0.45 CCC[C@@H](CO)NCOC(C)C 2230a_100000732646_100000709892 [0,1,0,0,0,0|3,0,0]=4 1772 B11R0.45 CCC[C@@H](CO)NCOC(C)C 34a_100000732646_100000709892 [0,1,0,0,0,0|3,0,0]=4 1773 B11R0.45 CCN(CCF)CCCN(C)C 269982a_100000225837_100011217306 [0,1,0,0,0,0|3,0,0]=4 1774 B11R0.45 CCN(CCO)CCC=C(C)C 2230a_100000210973_100011217483 [0,1,0,0,0,0|1,0,2]=4 1775 B11R0.45 CCN(CCO)CCC=C(C)C 269982a_100000210973_100011217483 [0,1,0,0,0,0|1,0,2]=4 1776 B11R0.45 CCN(CCO)CCCC(=O)C 269982a_100000210973_100011215641 [0,1,0,0,0,0|2,0,1]=4 1777 B11R0.45 CCN(CCO)CCCC(C)C 2230a_100000210973_100011214892 [0,1,0,0,0,0|1,0,0]=2 1778 B11R0.45 CCN(CCO)CCCC(C)C 269982a_100000210973_100011214892 [0,1,0,0,0,0|1,0,0]=2 1779 B11R0.45 CCN(CCO)CCCC(C)O 2230a_100000210973_200000718107 [0,1,0,0,0,0|2,0,0]=3 1780 B11R0.45 CCN(CCO)CCCC(C)O 269982a_100000210973_200000718107 [0,1,0,0,0,0|2,0,0]=3 1781 B11R0.45 CCN(CCO)CCCN(C)C 269982a_100000210973_100000757444 [0,1,0,0,0,0|2,0,0]=3 1782 B11R0.45 CCN(CCO)CCCN(C)C 269982a_100000225837_100000211926 [0,1,0,0,0,0|2,0,0]=3 1783 B11R0.45 CCN(CCO)CCOC(C)C 2230a_100000210973_100000211751 [0,1,0,0,0,0|2,0,0]=3 1784 B11R0.45 CCN(CCO)CCOC(C)C 269982a_100000210973_100000211751 [0,1,0,0,0,0|2,0,0]=3 1785 B11R0.45 CCN(CCO)CCSC(C)C 2230a_100000210973_100000730970 [0,1,0,0,0,0|2,0,0]=3 1786 B11R0.45 CCN(CCO)CCSC(C)C 269982a_100000210973_100000730970 [0,1,0,0,0,0|2,0,0]=3 1787 B11R0.45 CCOC(CC)CNCC(C)C 2230a_100015183923_100000210760 [0,1,0,0,0,0|3,0,0]=4 1788 B11R0.45 CCOC(CC)CNCC(C)C 270004a_100015183923_100000210432 [0,1,0,0,0,0|3,0,0]=4 1789 B11R0.45 CCOC(CC)CNCC(C)C 34a_100015183923_100000210624 [0,1,0,0,0,0|3,0,0]=4 1790 B11R0.45 CC[C@H](CC#N)NCCC(C)C 2230a_200009818565_100000210312 [0,1,0,0,0,0|2,0,1]=4 1791 B11R0.45 CC[C@H](CC#N)NCCC(C)C 269862a_200009818565_100000185833 [0,1,0,0,0,0|2,0,1]=4 1792 B11R0.45 COCC(CCl)OCCC(C)C 34a_100011215053_100000210312 [0,1,0,0,0,0|3,0,0]=4 1793 B11R0.45 COCC(CN)OCCC(C)C 34a_100000756049_100000210312 [0,1,0,0,0,0|3,0,0]=4 1794 B11R0.45 COCC(CO)NCCC(C)C 2230a_100000724102_100000210312 [0,1,0,0,0,0|3,0,0]=4 1795 B11R0.45 COCC(CO)NCCC(C)C 269862a_100000724102_100000185833 [0,1,0,0,0,0|3,0,0]=4 1796 B11R0.45 COCC(CO)NCCC(C)C 34a_100000724102_100000210312 [0,1,0,0,0,0|3,0,0]=4 1797 B11R0.59 C#CCN(C)C(C)CCC(C)C 2230a_100000225692_100011261404 [0,1,0,0,0,0|2,0,1]=4 1798 B11R0.59 C#CCN(C)C(C)CCC(C)C 270004a_100000225692_100000210476 [0,1,0,0,0,0|2,0,1]=4 1799 B11R0.59 C#CCN(C)C(C)CCC(C)C 34a_100000225692_100011261404 [0,1,0,0,0,0|2,0,1]=4 1800 B11R0.59 C=C(C)CCC(=O)C(C)CCO 1458a_200000688413_100009893172 [0,1,0,0,0,0|0,0,3]=4 1801 B11R0.59 C=C(C)CCC(C)N(C)CCO 270004a_100000210263_100011215600 [0,1,0,0,0,0|1,0,2]=4 1802 B11R0.59 C=C(C)CCN(C)C(C)CCO 2230a_100000731037_100000730704 [0,1,0,0,0,0|1,0,2]=4 1803 B11R0.59 C=C(C)CCN(C)C(C)CCO 269982a_100000731037_100000730704 [0,1,0,0,0,0|1,0,2]=4 1804 B11R0.59 C=CCC(C)C(=O)CCC(C)C 1458a_100011216819_100000210312 [0,1,0,0,0,0|1,0,2]=4 1805 B11R0.59 C=CCN(C)C(C)CCC(C)C 2230a_100000225617_100011261404 [0,1,0,0,0,0|2,0,1]=4 1806 B11R0.59 C=CCN(C)C(C)CCC(C)C 269982a_100000225617_100011261404 [0,1,0,0,0,0|2,0,1]=4 1807 B11R0.59 C=CCN(C)C(C)CCC(C)C 270004a_100000225617_100000210476 [0,1,0,0,0,0|2,0,1]=4 1808 B11R0.59 CC(=CCC(=O)C(C)CCO)C 1458a_100011220947_100009893172 [0,1,0,0,0,0|0,0,3]=4 1809 B11R0.59 CC(=CCN(C)C(C)CCO)C 2230a_100000731037_100000761012 [0,1,0,0,0,0|1,0,2]=4 1810 B11R0.59 CC(=CCN(C)C(C)CCO)C 269982a_100000731037_100000761012 [0,1,0,0,0,0|1,0,2]=4 1811 B11R0.59 CC(=O)CCN(C)C(C)CCO 269982a_100000731037_100000053229 [0,1,0,0,0,0|2,0,1]=4 1812 B11R0.59 CC(C)C=CC(=O)C(C)CCO 1458a_100016268746_100009893172 [0,1,0,0,0,0|0,0,3]=4 1813 B11R0.59 CC(C)CCC(=O)C(C)CC#N 1458a_100000181311_100009813641 [0,1,0,0,0,0|1,0,2]=4 1814 B11R0.59 CC(C)CCC(=O)C(C)CCO 1458a_100000181311_100009893172 [0,1,0,0,0,0|0,0,1]=2 1815 B11R0.59 CC(C)CCC(=O)N(C)CCO 240690a_100000210263_100000181311 [0,1,0,0,0,0|1,0,1]=3 1816 B11R0.59 CC(C)CCC(=O)N(C)CCO 527a_100000210263_100000181311 [0,1,0,0,0,0|1,0,1]=3 1817 B11R0.59 CC(C)CCC(C)C(=O)CCO 1458a_100011216618_100011261404 [0,1,0,0,0,0|1,0,1]=3 1818 B11R0.59 CC(C)CCC(C)N(C)CC#N 2230a_100000748184_100011261404 [0,1,0,0,0,0|2,0,1]=4 1819 B11R0.59 CC(C)CCC(C)N(C)CCO 2230a_100000210263_100011261404 [0,1,0,0,0,0|1,0,0]=2 1820 B11R0.59 CC(C)CCC(C)N(C)CCO 269982a_100000210263_100011261404 [0,1,0,0,0,0|1,0,0]=2 1821 B11R0.59 CC(C)CCC(C)N(C)CCO 270004a_100000210263_100000210476 [0,1,0,0,0,0|1,0,0]=2 1822 B11R0.59 CC(C)CCN(C)C(=O)CCO 240690a_100000742789_100011216618 [0,1,0,0,0,0|2,0,1]=4 1823 B11R0.59 CC(C)CCN(C)C(C)CC#N 2230a_100000742789_100009813641 [0,1,0,0,0,0|2,0,1]=4 1824 B11R0.59 CC(C)CCN(C)C(C)CC#N 269982a_100000742789_100009813641 [0,1,0,0,0,0|2,0,1]=4 1825 B11R0.59 CC(C)CCN(C)C(C)CCO 2230a_100000731037_100000210312 [0,1,0,0,0,0|1,0,0]=2 1826 B11R0.59 CC(C)CCN(C)C(C)CCO 2230a_100000742789_100009893172 [0,1,0,0,0,0|1,0,0]=2 1827 B11R0.59 CC(C)CCN(C)C(C)CCO 269982a_100000731037_100000210312 [0,1,0,0,0,0|1,0,0]=2 1828 B11R0.59 CC(C)CCN(C)C(C)CCO 269982a_100000742789_100009893172 [0,1,0,0,0,0|1,0,0]=2 1829 B11R0.59 CC(C)CNC(=O)N(C)CCO 2708a_100000210953_100000210263 [0,1,0,0,0,0|2,0,1]=4 1830 B11R0.59 CC(C)CNC(=O)N(C)CCO 273464a_100000210953_100000210263 [0,1,0,0,0,0|2,0,1]=4 1831 B11R0.59 CC(C)OCC(=O)C(C)CCO 1458a_100000745533_100009893172 [0,1,0,0,0,0|1,0,1]=3 1832 B11R0.59 CC(C)OCC(=O)N(C)CCO 240690a_100000210263_100000745533 [0,1,0,0,0,0|2,0,1]=4 1833 B11R0.59 CC(C)OCC(=O)N(C)CCO 527a_100000210263_100000745533 [0,1,0,0,0,0|2,0,1]=4 1834 B11R0.59 CC(C)OCN(C)C(C)CCO 2230a_100000731037_100000709892 [0,1,0,0,0,0|2,0,0]=3 1835 B11R0.59 CC(C)OCN(C)C(C)CCO 269982a_100000731037_100000709892 [0,1,0,0,0,0|2,0,0]=3 1836 B11R0.59 CC(C)SCC(=O)C(C)CCO 1458a_100000241585_100009893172 [0,1,0,0,0,0|1,0,1]=3 1837 B11R0.59 CC(C)SCC(=O)N(C)CCO 240690a_100000210263_100000241585 [0,1,0,0,0,0|2,0,1]=4 1838 B11R0.59 CC(C)SCC(=O)N(C)CCO 527a_100000210263_100000241585 [0,1,0,0,0,0|2,0,1]=4 1839 B11R0.59 CC(CCO)C(=O)CC[S+](C)C 1458a_100009452791_100009893172 [0,1,0,0,0,0|1,0,1]=3 1840 B11R0.59 CC(CCO)N(C)CCN(C)C 269982a_100000225618_100009893172 [0,1,0,0,0,0|2,0,0]=3 1841 B11R0.59 CC(CCO)N(C)CCN(C)C 269982a_100000731037_100000755713 [0,1,0,0,0,0|2,0,0]=3 1842 B11R0.59 CC(O)CCN(C)C(C)CCO 2230a_100000731037_100012276601 [0,1,0,0,0,0|2,0,0]=3 1843 B11R0.59 CC(O)CCN(C)C(C)CCO 269982a_100000731037_100012276601 [0,1,0,0,0,0|2,0,0]=3 1844 B11R0.59 CCCC(=O)C(C)CCC(C)C 1458a_100000211992_100011261404 [0,1,0,0,0,0|2,0,1]=4 1845 B11R0.59 CCCC(C)C(=O)CCC(C)C 1458a_100000181311_100000766640 [0,1,0,0,0,0|1,0,1]=3 1846 B11R0.59 CCCC(C)C(=O)CCC(C)C 1458a_100000210906_100000210312 [0,1,0,0,0,0|1,0,1]=3 1847 B11R0.59 CCCC(C)C(=O)CCC(C)O 1458a_100000210906_100012276601 [0,1,0,0,0,0|2,0,1]=4 1848 B11R0.59 CCCC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000766640 [0,1,0,0,0,0|2,0,1]=4 1849 B11R0.59 CCCC(C)C(=O)COC(C)C 1458a_100000745533_100000766640 [0,1,0,0,0,0|2,0,1]=4 1850 B11R0.59 CCCC(C)C(=O)CSC(C)C 1458a_100000241585_100000766640 [0,1,0,0,0,0|2,0,1]=4 1851 B11R0.59 CCCC(C)C(=O)NCC(C)C 11a_100000210953_100000210906 [0,1,0,0,0,0|2,0,1]=4 1852 B11R0.59 CCCC(C)C(=O)NCC(C)C 1626a_100000210953_100000210906 [0,1,0,0,0,0|2,0,1]=4 1853 B11R0.59 CCCC(C)C(=O)NCC(C)C 240690a_100000210953_100000210906 [0,1,0,0,0,0|2,0,1]=4 1854 B11R0.59 CCCC(C)C(=O)NCC(C)C 527a_100000210953_100000210906 [0,1,0,0,0,0|2,0,1]=4 1855 B11R0.59 CCCC(C)C(C)NCC(C)C 270004a_100000210953_100011216282 [0,1,0,0,0,0|2,0,0]=3 1856 B11R0.59 CCCC(C)C(C)NCC(C)O 270004a_100000210904_100011216282 [0,1,0,0,0,0|3,0,0]=4 1857 B11R0.59 CCCC(C)C(C)OCC(C)C 34a_100000708338_100000210624 [0,1,0,0,0,0|2,0,0]=3 1858 B11R0.59 CCCC(C)C(C)OCC(C)C 7a_100000708338_100000210760 [0,1,0,0,0,0|2,0,0]=3 1859 B11R0.59 CCCC(C)C(C)OCC(C)O 34a_100000708338_100011218427 [0,1,0,0,0,0|3,0,0]=4 1860 B11R0.59 CCCC(C)C(C)OCC(C)O 7a_100000708338_100011218427 [0,1,0,0,0,0|3,0,0]=4 1861 B11R0.59 CCCC(C)C(C)OC[C@@H](C)O 34a_100000708338_100009817552 [0,1,0,0,0,0|3,0,0]=4 1862 B11R0.59 CCCC(C)C(C)OC[C@@H](C)O 7a_100000708338_100009817552 [0,1,0,0,0,0|3,0,0]=4 1863 B11R0.59 CCCC(C)N(C)CCC(C)C 2230a_100000742789_100000766640 [0,1,0,0,0,0|2,0,0]=3 1864 B11R0.59 CCCC(C)N(C)CCC(C)C 269982a_100000742789_100000766640 [0,1,0,0,0,0|2,0,0]=3 1865 B11R0.59 CCCC(C)N(C)CCC(C)C 270004a_100000742789_100000211909 [0,1,0,0,0,0|2,0,0]=3 1866 B11R0.59 CCCC(C)N(C)CCN(C)C 269982a_100000225618_100000766640 [0,1,0,0,0,0|3,0,0]=4 1867 B11R0.59 CCCC(C)N(C)CCN(C)C 270004a_100000225618_100000211909 [0,1,0,0,0,0|3,0,0]=4 1868 B11R0.59 CCCN(C)C(=O)CCC(C)C 11a_100000747261_100000181311 [0,1,0,0,0,0|2,0,1]=4 1869 B11R0.59 CCCN(C)C(=O)CCC(C)C 1626a_100000747261_100000181311 [0,1,0,0,0,0|2,0,1]=4 1870 B11R0.59 CCCN(C)C(=O)CCC(C)C 240690a_100000747261_100000181311 [0,1,0,0,0,0|2,0,1]=4 1871 B11R0.59 CCCN(C)C(=O)CCC(C)C 527a_100000747261_100000181311 [0,1,0,0,0,0|2,0,1]=4 1872 B11R0.59 CCCN(C)C(C)CCC(C)C 2230a_100000747261_100011261404 [0,1,0,0,0,0|2,0,0]=3 1873 B11R0.59 CCCN(C)C(C)CCC(C)C 269982a_100000747261_100011261404 [0,1,0,0,0,0|2,0,0]=3 1874 B11R0.59 CCCN(C)C(C)CCC(C)C 270004a_100000747261_100000210476 [0,1,0,0,0,0|2,0,0]=3 1875 B11R0.59 CCC[C@H](O)C(=O)CCC(C)C 1458a_100009822183_100000210312 [0,1,0,0,0,0|2,0,1]=4 1876 B11R0.59 CCOC(C)C(=O)CCC(C)C 1458a_100000739345_100000210312 [0,1,0,0,0,0|2,0,1]=4 1877 B11R0.59 CCSC(C)C(=O)CCC(C)C 1458a_100000230601_100000210312 [0,1,0,0,0,0|2,0,1]=4 1878 B11R0.59 CN(C)CCC(=O)N(C)CCO 240690a_100000210263_100000689311 [0,1,0,0,0,0|2,0,1]=4 1879 B11R0.59 CN(C)CCC(=O)N(C)CCO 527a_100000210263_100000689311 [0,1,0,0,0,0|2,0,1]=4 1880 B11R0.59 CN(CCO)C(=O)CC[S+](C)C 240690a_100000210263_100009452791 [0,1,0,0,0,0|2,0,1]=4 1881 B11R0.59 COCC(C)C(=O)CCC(C)C 1458a_100000181311_100000765312 [0,1,0,0,0,0|2,0,1]=4 1882 B11R0.59 COCC(C)C(=O)CCC(C)C 1458a_100000751857_100000210312 [0,1,0,0,0,0|2,0,1]=4 1883 B11R0.59 COCC(C)N(C)CCC(C)C 2230a_100000742789_100000765312 [0,1,0,0,0,0|3,0,0]=4 1884 B11R0.59 COCC(C)N(C)CCC(C)C 269982a_100000742789_100000765312 [0,1,0,0,0,0|3,0,0]=4 1885 B11R0.59 COCC(C)N(C)CCC(C)C 270004a_100000742789_100000749346 [0,1,0,0,0,0|3,0,0]=4 1886 B11R0.59 CSCC(C)C(=O)CCC(C)C 1458a_100000753918_100000210312 [0,1,0,0,0,0|2,0,1]=4 1887 B11R0.59 CSCC(C)N(C)CCC(C)C 270004a_100000742789_100011216314 [0,1,0,0,0,0|3,0,0]=4 1888 B11R0.104 C=CCC(C)(C)OCCC(C)C 7a_100011995686_100000210626 [0,1,0,0,0,0|2,0,1]=4 1889 B11R0.104 CC(C)CCCC(C)(C)OCF 7a_100011215742_100015361967 [0,1,0,0,0,0|2,0,0]=3 1890 B11R0.104 CC(C)CCOC(C)(C)CCBr 7a_100000702414_100000210626 [0,1,0,0,0,0|2,0,0]=3 1891 B11R0.104 CC(C)CSC[N+](C)(C)CCO 62a_100000210624_200010270792 [0,1,0,0,0,0|2,0,0]=3 1892 B11R0.104 CC(C)CSC[N+](C)(C)CCO 62a_200010270792_100000210760 [0,1,0,0,0,0|2,0,0]=3 1893 B11R0.104 CC(O)CCOC(C)(C)CCBr 7a_100000702414_100012276601 [0,1,0,0,0,0|3,0,0]=4 1894 B11R0.104 CC(O)CSC[N+](C)(C)CCO 62a_100011218427_200010270792 [0,1,0,0,0,0|3,0,0]=4 1895 B11R0.104 CC(O)CSC[N+](C)(C)CCO 62a_200010270792_100011218427 [0,1,0,0,0,0|3,0,0]=4 1896 B11R0.104 CCCC(C)(C)COCC(C)C 7a_100011995695_100000210760 [0,1,0,0,0,0|2,0,0]=3 1897 B11R0.104 CCCC(C)(C)COCC(C)O 7a_100011995695_100011218427 [0,1,0,0,0,0|3,0,0]=4 1898 B11R0.104 CCCC(C)(C)COC[C@@H](C)O 7a_100011995695_100009817552 [0,1,0,0,0,0|3,0,0]=4 1899 B11R0.104 CCCC(C)(C)OCCC(C)C 7a_100000748436_100000210626 [0,1,0,0,0,0|2,0,0]=3 1900 B11R0.104 CCCC(C)(C)OCCC(C)O 7a_100000748436_100012276601 [0,1,0,0,0,0|3,0,0]=4 1901 B11R0.104 CCCC(C)(C)OCCN(C)C 7a_100000748436_100000755713 [0,1,0,0,0,0|3,0,0]=4 1902 B11R0.104 CCNC(C)(C)COCC(C)C 7a_100000747347_100000210760 [0,1,0,0,0,0|3,0,0]=4 1903 B11R0.104 CCOC(C)(C)CCCC(C)C 7a_100011215742_100000210202 [0,1,0,0,0,0|2,0,0]=3 1904 B11R0.104 CN(C)CCOC(C)(C)CCBr 7a_100000702414_100000755713 [0,1,0,0,0,0|3,0,0]=4 1905 B11R0.104 COCC(C)(C)CNCC(C)C 2230a_100000734190_100000210760 [0,1,0,0,0,0|3,0,0]=4 1906 B11R0.104 COCC(C)(C)CNCC(C)C 270004a_100000734190_100000210432 [0,1,0,0,0,0|3,0,0]=4 1907 B11R0.104 COCC(C)(C)NCCC(C)C 2230a_100000752728_100000210312 [0,1,0,0,0,0|3,0,0]=4 1908 B11R0.104 CSCC(C)(C)NCCC(C)C 2230a_100000759623_100000210312 [0,1,0,0,0,0|3,0,0]=4 1909 B11R0.104 CSCC(C)(C)NCCC(C)C 7a_100000759623_100000210626 [0,1,0,0,0,0|3,0,0]=4 1910 B11R0.104 C[C@@H](O)CSC[N+](C)(C)CCO 62a_100009817552_200010270792 [0,1,0,0,0,0|3,0,0]=4 1911 B11R0.104 C[C@@H](O)CSC[N+](C)(C)CCO 62a_200010270792_100009817552 [0,1,0,0,0,0|3,0,0]=4 1912 B11R0.141 CC(=O)C(C)COC(C)CCO 34a_100000032740_100009893172 [0,1,0,0,0,0|2,0,1]=4 1913 B11R0.141 CC(=O)C(C)COC(C)CCO 7a_100000032740_100009893172 [0,1,0,0,0,0|2,0,1]=4 1914 B11R0.141 CC(C)C(=O)CN[C@H](C)CCO 2230a_100000706166_100000753385 [0,1,0,0,0,0|1,0,1]=3 1915 B11R0.141 CC(C)C(=O)CN[C@H](C)CCO 34a_100000706166_100000753385 [0,1,0,0,0,0|1,0,1]=3 1916 B11R0.141 CC(C)C(O)CNC(=O)CCO 240690a_100000759067_100011216618 [0,1,0,0,0,0|2,0,1]=4 1917 B11R0.141 CC(C)N(C)CCC(=O)CCO 1458a_100015184040_100000211926 [0,1,0,0,0,0|2,0,1]=4 1918 B11R0.141 CC(CC#N)NCC(O)C(C)C 2230a_100000759067_100009813641 [0,1,0,0,0,0|2,0,1]=4 1919 B11R0.141 CC(CCBr)OCC(=O)C(C)C 34a_100012276601_100000753385 [0,1,0,0,0,0|2,0,1]=4 1920 B11R0.141 CC(CCO)NCC(=O)N(C)C 2230a_100015183351_100009893172 [0,1,0,0,0,0|2,0,1]=4 1921 B11R0.141 CC(CCO)NCC(O)C(C)C 2230a_100000759067_100009893172 [0,1,0,0,0,0|1,0,0]=2 1922 B11R0.141 CC(CCO)NCC(O)C(C)C 34a_100000759067_100009893172 [0,1,0,0,0,0|1,0,0]=2 1923 B11R0.141 CC(CCO)OC[C@H](N)C(C)C 34a_100011830312_100009893172 [0,1,0,0,0,0|1,0,0]=2 1924 B11R0.141 CC(CCO)SCC(=O)C(C)C 62a_100000753385_100009893172 [0,1,0,0,0,0|1,0,1]=3 1925 B11R0.141 CC(CCO)SCC(=O)C(C)C 62a_100009893172_100000753385 [0,1,0,0,0,0|1,0,1]=3 1926 B11R0.141 CC(CCO)SCC(=O)N(C)C 62a_100000692301_100009893172 [0,1,0,0,0,0|2,0,1]=4 1927 B11R0.141 CC(CCO)SCC(=O)N(C)C 62a_100009893172_100000692301 [0,1,0,0,0,0|2,0,1]=4 1928 B11R0.141 CCCC(C)CCC(C)N(C)C 270004a_100102631434_200011216527 [0,1,0,0,0,0|2,0,0]=3 1929 B11R0.141 CCCC(C)CNC(C)C(C)C 2230a_100000211541_100011216630 [0,1,0,0,0,0|2,0,0]=3 1930 B11R0.141 CCCC(C)CNC(C)C(C)C 270004a_100000211541_100000243154 [0,1,0,0,0,0|2,0,0]=3 1931 B11R0.141 CCCC(C)COC(C)C(C)C 7a_100000748068_100011216630 [0,1,0,0,0,0|2,0,0]=3 1932 B11R0.141 CCCC(C)NCC(=O)C(C)C 2230a_100000741246_100000753385 [0,1,0,0,0,0|2,0,1]=4 1933 B11R0.141 CCCC(C)NCC(O)C(C)C 2230a_100000759067_100000766640 [0,1,0,0,0,0|2,0,0]=3 1934 B11R0.141 CCCC(C)NCC(O)C(C)C 270004a_100000759067_100000211909 [0,1,0,0,0,0|2,0,0]=3 1935 B11R0.141 CCCC(C)NCC(O)C(C)C 34a_100000759067_100000766640 [0,1,0,0,0,0|2,0,0]=3 1936 B11R0.141 CCCC(C)OCC(=O)C(C)C 34a_100000764384_100000753385 [0,1,0,0,0,0|2,0,1]=4 1937 B11R0.141 CCCC(C)OCC(=O)C(C)C 7a_100000764384_100000753385 [0,1,0,0,0,0|2,0,1]=4 1938 B11R0.141 CCCC(C)OC[C@H](N)C(C)C 34a_100011830312_100000766640 [0,1,0,0,0,0|2,0,0]=3 1939 B11R0.141 CCCC(C)SCC(=O)C(C)C 62a_100000753385_100000766640 [0,1,0,0,0,0|2,0,1]=4 1940 B11R0.141 CCCC(C)SCC(=O)C(C)C 62a_100000766640_100000753385 [0,1,0,0,0,0|2,0,1]=4 1941 B11R0.141 CN(CCO)CCC(=O)N(C)C 2230a_100000210263_100000737620 [0,1,0,0,0,0|2,0,1]=4 1942 B11R0.141 CN(CCO)CCC(=O)N(C)C 269982a_100000210263_100000737620 [0,1,0,0,0,0|2,0,1]=4 1943 B11R0.141 COCC(C)NCC(O)C(C)C 2230a_100000759067_100000765312 [0,1,0,0,0,0|3,0,0]=4 1944 B11R0.141 COCC(C)NCC(O)C(C)C 270004a_100000759067_100000749346 [0,1,0,0,0,0|3,0,0]=4 1945 B11R0.141 COCC(C)NCC(O)C(C)C 34a_100000759067_100000765312 [0,1,0,0,0,0|3,0,0]=4 1946 B11R0.141 COCC(C)OC[C@H](N)C(C)C 34a_100011830312_100000765312 [0,1,0,0,0,0|3,0,0]=4 1947 B11R0.141 CSCC(C)NCC(O)C(C)C 270004a_100000759067_100011216314 [0,1,0,0,0,0|3,0,0]=4 1948 B11R0.141 C[C@H](CCO)NCC(=O)N(C)C 2230a_100000706166_100000185267 [0,1,0,0,0,0|2,0,1]=4 1949 B11R0.141 C[C@H](CCO)NCC(=O)N(C)C 34a_100000706166_100000692301 [0,1,0,0,0,0|2,0,1]=4 1950 B11R0.145 C=C[C@@H](C)[C@@H](C)OCCC(C)C 34a_100015455354_100000210312 [0,1,0,0,0,0|2,0,1]=4 1951 B11R0.145 C=C[C@@H](C)[C@@H](C)OCCC(C)C 7a_100015455354_100000210626 [0,1,0,0,0,0|2,0,1]=4 1952 B11R0.145 CC(=CCCN(C)C(C)CO)C 2230a_100000693034_100011217483 [0,1,0,0,0,0|1,0,2]=4 1953 B11R0.145 CC(=CCCN(C)C(C)CO)C 269982a_100000693034_100011217483 [0,1,0,0,0,0|1,0,2]=4 1954 B11R0.145 CC(=O)CCCN(C)C(C)CO 269982a_100000693034_100011215641 [0,1,0,0,0,0|2,0,1]=4 1955 B11R0.145 CC(C)CCCC(=O)C(O)CO 1458a_100011215603_100011214892 [0,1,0,0,0,0|1,0,1]=3 1956 B11R0.145 CC(C)CCCN(C)C(C)CO 2230a_100000693034_100011214892 [0,1,0,0,0,0|1,0,0]=2 1957 B11R0.145 CC(C)CCCN(C)C(C)CO 269982a_100000693034_100011214892 [0,1,0,0,0,0|1,0,0]=2 1958 B11R0.145 CC(C)CCNC(=O)C(O)CO 240690a_100000210545_100011215603 [0,1,0,0,0,0|2,0,1]=4 1959 B11R0.145 CC(C)OCCC(=O)C(O)CO 1458a_100011215603_100000211751 [0,1,0,0,0,0|2,0,1]=4 1960 B11R0.145 CC(C)OCCN(C)C(C)CO 2230a_100000693034_100000211751 [0,1,0,0,0,0|2,0,0]=3 1961 B11R0.145 CC(C)OCCN(C)C(C)CO 269982a_100000693034_100000211751 [0,1,0,0,0,0|2,0,0]=3 1962 B11R0.145 CC(C)SCCC(=O)C(O)CO 1458a_100011215603_100000730970 [0,1,0,0,0,0|2,0,1]=4 1963 B11R0.145 CC(C)SCCN(C)C(C)CO 2230a_100000693034_100000730970 [0,1,0,0,0,0|2,0,0]=3 1964 B11R0.145 CC(C)SCCN(C)C(C)CO 269982a_100000693034_100000730970 [0,1,0,0,0,0|2,0,0]=3 1965 B11R0.145 CC(CO)N(C)CCCN(C)C 269982a_100000693034_100000757444 [0,1,0,0,0,0|2,0,0]=3 1966 B11R0.145 CC(O)CCCC(=O)C(O)CO 1458a_100011215603_200000718107 [0,1,0,0,0,0|2,0,1]=4 1967 B11R0.145 CC(O)CCCN(C)C(C)CO 2230a_100000693034_200000718107 [0,1,0,0,0,0|2,0,0]=3 1968 B11R0.145 CC(O)CCCN(C)C(C)CO 269982a_100000693034_200000718107 [0,1,0,0,0,0|2,0,0]=3 1969 B11R0.145 CCC(=O)C(C)OCCC(C)C 7a_100000210254_100000742827 [0,1,0,0,0,0|2,0,1]=4 1970 B11R0.145 CCC(=O)C(C)SCCC(C)C 62a_100000210312_100000742827 [0,1,0,0,0,0|2,0,1]=4 1971 B11R0.145 CCC(=O)C(C)SCCC(C)C 62a_100000742827_100000210312 [0,1,0,0,0,0|2,0,1]=4 1972 B11R0.145 CCC(C)C(=O)CCCC(C)C 1458a_100011192722_100011214892 [0,1,0,0,0,0|2,0,1]=4 1973 B11R0.145 CCC(C)C(=O)CCCC(C)C 1458a_100011216857_100000758301 [0,1,0,0,0,0|2,0,1]=4 1974 B11R0.145 CCC(C)C(C)NCCC(C)C 269862a_100000210545_100000210599 [0,1,0,0,0,0|2,0,0]=3 1975 B11R0.145 CCC(C)C(C)NCCC(C)C 270004a_100000210545_100000210599 [0,1,0,0,0,0|2,0,0]=3 1976 B11R0.145 CCC(C)C(C)NCCC(C)O 269862a_200000755665_100000210599 [0,1,0,0,0,0|3,0,0]=4 1977 B11R0.145 CCC(C)C(C)NCCC(C)O 270004a_200000755665_100000210599 [0,1,0,0,0,0|3,0,0]=4 1978 B11R0.145 CCC(C)C(C)NCCN(C)C 269862a_100000210585_100000210599 [0,1,0,0,0,0|3,0,0]=4 1979 B11R0.145 CCC(C)C(C)NCCN(C)C 270004a_100000210585_100000210599 [0,1,0,0,0,0|3,0,0]=4 1980 B11R0.145 CCC(C)C(C)OCCC(C)C 7a_100011215189_100000210626 [0,1,0,0,0,0|2,0,0]=3 1981 B11R0.145 CCC(C)C(C)OCCC(C)O 7a_100011215189_100012276601 [0,1,0,0,0,0|3,0,0]=4 1982 B11R0.145 CCC(C)C(C)OCCN(C)C 7a_100011215189_100000755713 [0,1,0,0,0,0|3,0,0]=4 1983 B11R0.145 CCC(C)N(C)CCCC(C)C 2230a_100000741768_100011214892 [0,1,0,0,0,0|2,0,0]=3 1984 B11R0.145 CCC(C)N(C)CCCC(C)C 269982a_100000741768_100011214892 [0,1,0,0,0,0|2,0,0]=3 1985 B11R0.145 CCC(C)N(C)CCCC(C)O 2230a_100000741768_200000718107 [0,1,0,0,0,0|3,0,0]=4 1986 B11R0.145 CCC(C)N(C)CCCC(C)O 269982a_100000741768_200000718107 [0,1,0,0,0,0|3,0,0]=4 1987 B11R0.145 CCC(C)N(C)CCCN(C)C 269982a_100000225831_100000758301 [0,1,0,0,0,0|3,0,0]=4 1988 B11R0.145 CCC(C)N(C)CCCN(C)C 269982a_100000741768_100000757444 [0,1,0,0,0,0|3,0,0]=4 1989 B11R0.145 CCC(C)N(C)CCOC(C)C 2230a_100000741768_100000211751 [0,1,0,0,0,0|3,0,0]=4 1990 B11R0.145 CCC(C)N(C)CCOC(C)C 269982a_100000741768_100000211751 [0,1,0,0,0,0|3,0,0]=4 1991 B11R0.145 CCC(C)N(C)CCSC(C)C 2230a_100000741768_100000730970 [0,1,0,0,0,0|3,0,0]=4 1992 B11R0.145 CCC(C)N(C)CCSC(C)C 269982a_100000741768_100000730970 [0,1,0,0,0,0|3,0,0]=4 1993 B11R0.145 CCC(O)C(=O)CCCC(C)C 1458a_100011196387_100011214892 [0,1,0,0,0,0|2,0,1]=4 1994 B11R0.145 CCN(C)C(C)COCC(C)C 7a_100000732741_100000210760 [0,1,0,0,0,0|3,0,0]=4 1995 B11R0.145 CN(C)CCCC(=O)C(O)CO 1458a_100011215603_100000695564 [0,1,0,0,0,0|2,0,1]=4 1996 B11R0.145 CN(C)CCCN(C)C(=O)CO 240690a_100000225831_100000210174 [0,1,0,0,0,0|2,0,1]=4 1997 B11R0.145 C[C@H](CO)N(C)CCCN(C)C 269982a_100000225831_100016084084 [0,1,0,0,0,0|2,0,0]=3 1998 B11R0.147 C#CCCC(=O)CCCC(C)C 1458a_100000692101_100011214892 [0,1,0,0,0,0|2,0,1]=4 1999 B11R0.147 C#CCCC(=O)CCCC(C)C 1458a_100011216857_100000753159 [0,1,0,0,0,0|2,0,1]=4 2000 B11R0.147 C#CCCN(C)CCCN(C)C 269982a_100000225831_100000730999 [0,1,0,0,0,0|3,0,0]=4 2001 B11R0.147 C#CCNC(C)CCCC(C)C 2230a_100000210607_100000038162 [0,1,0,0,0,0|1,0,1]=3 2002 B11R0.147 C#CCOC(C)CCCC(C)C 34a_200011218570_100000184674 [0,1,0,0,0,0|1,0,1]=3 2003 B11R0.147 C#CCOC(C)CCCC(C)C 7a_200011218570_100000038162 [0,1,0,0,0,0|1,0,1]=3 2004 B11R0.147 C#CCOC(C)COCC(C)C 34a_200000093152_100000210624 [0,1,0,0,0,0|2,0,1]=4 2005 B11R0.147 C#CCOC(C)COCC(C)C 7a_200000093152_100000210760 [0,1,0,0,0,0|2,0,1]=4 2006 B11R0.147 C=C(C)CNC[C@H](C)CCCO 2230a_100160569302_100000748629 [0,1,0,0,0,0|1,0,2]=4 2007 B11R0.147 C=C(C)CNC[C@H](C)CCCO 34a_100160569302_100000748629 [0,1,0,0,0,0|1,0,2]=4 2008 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100000749702_100011214892 [0,1,0,0,0,0|2,0,1]=4 2009 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100011216857_100000754431 [0,1,0,0,0,0|2,0,1]=4 2010 B11R0.147 C=CCCC(C)NCCC(C)C 270004a_100000210545_100000762624 [0,1,0,0,0,0|2,0,0]=3 2011 B11R0.147 C=CCCC(C)NCCC(C)O 270004a_200000755665_100000762624 [0,1,0,0,0,0|3,0,0]=4 2012 B11R0.147 C=CCCC(C)NCCN(C)C 270004a_100000210585_100000762624 [0,1,0,0,0,0|3,0,0]=4 2013 B11R0.147 C=CCCC(C)OCCC(C)C 34a_100000765329_100000210312 [0,1,0,0,0,0|2,0,0]=3 2014 B11R0.147 C=CCCC(C)OCCC(C)C 7a_100000765329_100000210626 [0,1,0,0,0,0|2,0,0]=3 2015 B11R0.147 C=CCCC(C)OCCC(C)O 34a_100000765329_100012276601 [0,1,0,0,0,0|3,0,0]=4 2016 B11R0.147 C=CCCC(C)OCCC(C)O 7a_100000765329_100012276601 [0,1,0,0,0,0|3,0,0]=4 2017 B11R0.147 C=CCCC(C)OCCN(C)C 7a_100000765329_100000755713 [0,1,0,0,0,0|3,0,0]=4 2018 B11R0.147 C=CCCC(C)OCOC(C)C 34a_100000765329_100000709892 [0,1,0,0,0,0|3,0,0]=4 2019 B11R0.147 C=CCCN(C)CCCC(C)C 2230a_100020639649_100011214892 [0,1,0,0,0,0|2,0,0]=3 2020 B11R0.147 C=CCCN(C)CCCC(C)C 269982a_100020639649_100011214892 [0,1,0,0,0,0|2,0,0]=3 2021 B11R0.147 C=CCCN(C)CCCC(C)O 2230a_100020639649_200000718107 [0,1,0,0,0,0|3,0,0]=4 2022 B11R0.147 C=CCCN(C)CCCC(C)O 269982a_100020639649_200000718107 [0,1,0,0,0,0|3,0,0]=4 2023 B11R0.147 C=CCCN(C)CCCN(C)C 269982a_100000225831_100000754431 [0,1,0,0,0,0|3,0,0]=4 2024 B11R0.147 C=CCCN(C)CCCN(C)C 269982a_100020639649_100000757444 [0,1,0,0,0,0|3,0,0]=4 2025 B11R0.147 C=CCCN(C)CCOC(C)C 2230a_100020639649_100000211751 [0,1,0,0,0,0|3,0,0]=4 2026 B11R0.147 C=CCCN(C)CCOC(C)C 269982a_100020639649_100000211751 [0,1,0,0,0,0|3,0,0]=4 2027 B11R0.147 C=CCCN(C)CCSC(C)C 2230a_100020639649_100000730970 [0,1,0,0,0,0|3,0,0]=4 2028 B11R0.147 C=CCCN(C)CCSC(C)C 269982a_100020639649_100000730970 [0,1,0,0,0,0|3,0,0]=4 2029 B11R0.147 C=CCNC(C)CCCC(C)C 2230a_100000210607_100000210623 [0,1,0,0,0,0|1,0,1]=3 2030 B11R0.147 C=CCNC(C)CCCC(C)C 270004a_100020586998_100000753411 [0,1,0,0,0,0|1,0,1]=3 2031 B11R0.147 C=CCNC(C)CCOC(C)C 270004a_100020586998_200011219172 [0,1,0,0,0,0|2,0,1]=4 2032 B11R0.147 C=CCOC(C)CCCC(C)C 34a_200011218570_100015514636 [0,1,0,0,0,0|1,0,1]=3 2033 B11R0.147 C=CCOC(C)CCCC(C)C 7a_200011218570_100015514636 [0,1,0,0,0,0|1,0,1]=3 2034 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 34a_100000017536_200025704644 [0,1,0,0,0,0|0,0,2]=3 2035 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 7a_100000017536_200025704644 [0,1,0,0,0,0|0,0,2]=3 2036 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_100009814015_200025704644 [0,1,0,0,0,0|0,1,2]=4 2037 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_200025704644_100009814015 [0,1,0,0,0,0|0,1,2]=4 2038 B11R0.147 CC(=CCCC(C)NCCO)C 270004a_100000210304_100000765506 [0,1,0,0,0,0|0,0,2]=3 2039 B11R0.147 CC(=CCCC(C)OCCF)C 34a_100102619829_100011217306 [0,1,0,0,0,0|1,0,2]=4 2040 B11R0.147 CC(=CCCC(C)OCCF)C 7a_100102619829_100011217306 [0,1,0,0,0,0|1,0,2]=4 2041 B11R0.147 CC(=CCCC(C)OCCO)C 34a_100102619829_100000211926 [0,1,0,0,0,0|0,0,2]=3 2042 B11R0.147 CC(=CCCC(C)OCCO)C 7a_100102619829_100000211926 [0,1,0,0,0,0|0,0,2]=3 2043 B11R0.147 CC(=CCCN(C)CCCO)C 2230a_100000213112_100011217483 [0,1,0,0,0,0|1,0,2]=4 2044 B11R0.147 CC(=CCCN(C)CCCO)C 269982a_100000213112_100011217483 [0,1,0,0,0,0|1,0,2]=4 2045 B11R0.147 CC(=O)CCCN(C)CCCO 269982a_100000213112_100011215641 [0,1,0,0,0,0|2,0,1]=4 2046 B11R0.147 CC(C)CCCC(=O)C#CCO 1458a_100000049017_100011214892 [0,1,0,0,0,0|1,0,2]=4 2047 B11R0.147 CC(C)CCCC(=O)CCC#N 1458a_100011216857_100011215226 [0,1,0,0,0,0|2,0,1]=4 2048 B11R0.147 CC(C)CCCC(=O)CCC#N 1458a_100011934036_100011214892 [0,1,0,0,0,0|2,0,1]=4 2049 B11R0.147 CC(C)CCCC(=O)CCCF 1458a_100011216857_100011934791 [0,1,0,0,0,0|2,0,1]=4 2050 B11R0.147 CC(C)CCCC(=O)CCCO 1458a_100011216857_100011215043 [0,1,0,0,0,0|1,0,1]=3 2051 B11R0.147 CC(C)CCCC(=O)NCCF 11a_100000724931_100011216857 [0,1,0,0,0,0|2,0,1]=4 2052 B11R0.147 CC(C)CCCC(=O)NCCF 1626a_100000724931_100011216857 [0,1,0,0,0,0|2,0,1]=4 2053 B11R0.147 CC(C)CCCC(=O)NCCF 240690a_100000724931_100011216857 [0,1,0,0,0,0|2,0,1]=4 2054 B11R0.147 CC(C)CCCC(=O)NCCF 527a_100000724931_100011216857 [0,1,0,0,0,0|2,0,1]=4 2055 B11R0.147 CC(C)CCCC(=O)NCCO 240690a_100000210304_100011216857 [0,1,0,0,0,0|1,0,1]=3 2056 B11R0.147 CC(C)CCCC(=O)NCCO 527a_100000210304_100011216857 [0,1,0,0,0,0|1,0,1]=3 2057 B11R0.147 CC(C)CCCC(C)CCN[13CH3] 2230a_102516457229_200025704644 [0,1,0,0,0,0|1,0,0]=2 2058 B11R0.147 CC(C)CCCC(C)CCO[13CH3] 34a_100000015991_200025704644 [0,1,0,0,0,0|0,0,0]=1 2059 B11R0.147 CC(C)CCCC(C)CCO[13CH3] 7a_100000015991_200025704644 [0,1,0,0,0,0|0,0,0]=1 2060 B11R0.147 CC(C)CCCC(C)CCS[13CH3] 62a_100009816328_200025704644 [0,1,0,0,0,0|0,1,0]=2 2061 B11R0.147 CC(C)CCCC(C)CCS[13CH3] 62a_200025704644_100009816328 [0,1,0,0,0,0|0,1,0]=2 2062 B11R0.147 CC(C)CCCC(C)NCC#N 2230a_100000210607_100011215382 [0,1,0,0,0,0|1,0,1]=3 2063 B11R0.147 CC(C)CCCC(C)NCC=O 2230a_100000210607_200015260668 [0,1,0,0,0,0|0,0,2]=3 2064 B11R0.147 CC(C)CCCC(C)NCCF 2230a_100000210607_100011217306 [0,1,0,0,0,0|1,0,0]=2 2065 B11R0.147 CC(C)CCCC(C)NCCO 2230a_100000210607_100000211926 [0,1,0,0,0,0|0,0,0]=1 2066 B11R0.147 CC(C)CCCC(C)NCCO 270004a_100000210304_100000753411 [0,1,0,0,0,0|0,0,0]=1 2067 B11R0.147 CC(C)CCCC(C)OCC#N 7a_200011218570_100011215382 [0,1,0,0,0,0|1,0,1]=3 2068 B11R0.147 CC(C)CCCC(C)OCC=O 34a_200011218570_200009817547 [0,1,0,0,0,0|0,0,2]=3 2069 B11R0.147 CC(C)CCCC(C)OCC=O 7a_200011218570_200015260668 [0,1,0,0,0,0|0,0,2]=3 2070 B11R0.147 CC(C)CCCC(C)OCCF 34a_200011218570_100011217306 [0,1,0,0,0,0|1,0,0]=2 2071 B11R0.147 CC(C)CCCC(C)OCCF 7a_200011218570_100011217306 [0,1,0,0,0,0|1,0,0]=2 2072 B11R0.147 CC(C)CCCC(C)OCCO 34a_200011218570_100000211926 [0,1,0,0,0,0|0,0,0]=1 2073 B11R0.147 CC(C)CCCC(C)OCCO 7a_200011218570_100000211926 [0,1,0,0,0,0|0,0,0]=1 2074 B11R0.147 CC(C)CCCN(C)CCC#N 2230a_100000184479_100011214892 [0,1,0,0,0,0|2,0,0]=3 2075 B11R0.147 CC(C)CCCN(C)CCCO 2230a_100000213112_100011214892 [0,1,0,0,0,0|1,0,0]=2 2076 B11R0.147 CC(C)CCCN(C)CCCO 269982a_100000213112_100011214892 [0,1,0,0,0,0|1,0,0]=2 2077 B11R0.147 CC(C)CCNC(=O)NCCO 2708a_100000210545_100000210304 [0,1,0,0,0,0|2,0,1]=4 2078 B11R0.147 CC(C)CCNC(=O)NCCO 273464a_100000210304_100000210545 [0,1,0,0,0,0|2,0,1]=4 2079 B11R0.147 CC(C)CCNC(=O)NCCO 273464a_100000210545_100000210304 [0,1,0,0,0,0|2,0,1]=4 2080 B11R0.147 CC(C)CCNC(=O)NCCO 512a_100000210545_100000210304 [0,1,0,0,0,0|2,0,1]=4 2081 B11R0.147 CC(C)CCOC(C)CCCCl 34a_200000718107_100000210312 [0,1,0,0,0,0|2,0,0]=3 2082 B11R0.147 CC(C)CCOC(C)CCCCl 7a_200000718107_100000210626 [0,1,0,0,0,0|2,0,0]=3 2083 B11R0.147 CC(C)CNC[C@H](C)CCCO 2230a_100160569302_100000210760 [0,1,0,0,0,0|1,0,0]=2 2084 B11R0.147 CC(C)CNC[C@H](C)CCCO 270004a_100160569302_100000210432 [0,1,0,0,0,0|1,0,0]=2 2085 B11R0.147 CC(C)CNC[C@H](C)CCCO 34a_100160569302_100000210624 [0,1,0,0,0,0|1,0,0]=2 2086 B11R0.147 CC(C)COCC(=O)CCCO 1458a_100011223364_100011215043 [0,1,0,0,0,0|2,0,1]=4 2087 B11R0.147 CC(C)COCC(=O)NCCO 240690a_100000210304_100011223364 [0,1,0,0,0,0|2,0,1]=4 2088 B11R0.147 CC(C)COCC(=O)NCCO 527a_100000210304_100011223364 [0,1,0,0,0,0|2,0,1]=4 2089 B11R0.147 CC(C)OCCN(C)CCC#N 2230a_100000184479_100000211751 [0,1,0,0,0,0|3,0,0]=4 2090 B11R0.147 CC(C)OCCN(C)CCCO 2230a_100000213112_100000211751 [0,1,0,0,0,0|2,0,0]=3 2091 B11R0.147 CC(C)OCCN(C)CCCO 269982a_100000213112_100000211751 [0,1,0,0,0,0|2,0,0]=3 2092 B11R0.147 CC(C)OCOC(C)CCCCl 34a_200000718107_100000709892 [0,1,0,0,0,0|3,0,0]=4 2093 B11R0.147 CC(C)SCCN(C)CCC#N 2230a_100000184479_100000730970 [0,1,0,0,0,0|3,0,0]=4 2094 B11R0.147 CC(C)SCCN(C)CCCO 2230a_100000213112_100000730970 [0,1,0,0,0,0|2,0,0]=3 2095 B11R0.147 CC(C)SCCN(C)CCCO 269982a_100000213112_100000730970 [0,1,0,0,0,0|2,0,0]=3 2096 B11R0.147 CC(CCCC(=O)[O-])OCCO 7a_100000761597_100000211926 [0,1,0,0,0,0|2,0,1]=4 2097 B11R0.147 CC(CCCCl)OCCN(C)C 7a_200000718107_100000755713 [0,1,0,0,0,0|3,0,0]=4 2098 B11R0.147 CC(CCOC(C)C)NCCO 270004a_100000210304_200011219172 [0,1,0,0,0,0|1,0,0]=2 2099 B11R0.147 CC(O)CCCC(=O)NCCO 527a_100000210304_100000761597 [0,1,0,0,0,0|2,0,1]=4 2100 B11R0.147 CC(O)CCCN(C)CCC#N 2230a_100000184479_200000718107 [0,1,0,0,0,0|3,0,0]=4 2101 B11R0.147 CC(O)CCCN(C)CCCO 2230a_100000213112_200000718107 [0,1,0,0,0,0|2,0,0]=3 2102 B11R0.147 CC(O)CCCN(C)CCCO 269982a_100000213112_200000718107 [0,1,0,0,0,0|2,0,0]=3 2103 B11R0.147 CC(O)CCOC(C)CCCCl 34a_200000718107_100012276601 [0,1,0,0,0,0|3,0,0]=4 2104 B11R0.147 CC(O)CCOC(C)CCCCl 7a_200000718107_100012276601 [0,1,0,0,0,0|3,0,0]=4 2105 B11R0.147 CC(O)CNC[C@H](C)CCCO 2230a_100160569302_100011218427 [0,1,0,0,0,0|2,0,0]=3 2106 B11R0.147 CC(O)CNC[C@H](C)CCCO 34a_100160569302_100011218427 [0,1,0,0,0,0|2,0,0]=3 2107 B11R0.147 CCC#CC(C)OCCC(C)C 34a_100000033903_100000210312 [0,1,0,0,0,0|2,0,1]=4 2108 B11R0.147 CCC#CC(C)OCCC(C)C 7a_100000033903_100000210626 [0,1,0,0,0,0|2,0,1]=4 2109 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100000210183_100011214892 [0,1,0,0,0,0|2,0,1]=4 2110 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100011216857_100000210211 [0,1,0,0,0,0|2,0,1]=4 2111 B11R0.147 CCCCC(C)COCC(C)C 34a_100011995851_100000210624 [0,1,0,0,0,0|2,0,0]=3 2112 B11R0.147 CCCCC(C)COCC(C)C 7a_100011995851_100000210760 [0,1,0,0,0,0|2,0,0]=3 2113 B11R0.147 CCCCC(C)COCC(C)O 34a_100011995851_100011218427 [0,1,0,0,0,0|3,0,0]=4 2114 B11R0.147 CCCCC(C)COCC(C)O 7a_100011995851_100011218427 [0,1,0,0,0,0|3,0,0]=4 2115 B11R0.147 CCCCC(C)COC[C@@H](C)O 34a_100011995851_100009817552 [0,1,0,0,0,0|3,0,0]=4 2116 B11R0.147 CCCCC(C)COC[C@@H](C)O 7a_100011995851_100009817552 [0,1,0,0,0,0|3,0,0]=4 2117 B11R0.147 CCCCC(C)NCCC(C)C 2230a_100000126638_100000210312 [0,1,0,0,0,0|2,0,0]=3 2118 B11R0.147 CCCCC(C)NCCC(C)C 269862a_100000126638_100000185833 [0,1,0,0,0,0|2,0,0]=3 2119 B11R0.147 CCCCC(C)NCCC(C)C 270004a_100000210545_100000210087 [0,1,0,0,0,0|2,0,0]=3 2120 B11R0.147 CCCCC(C)NCCC(C)O 2230a_100000126638_100012276601 [0,1,0,0,0,0|3,0,0]=4 2121 B11R0.147 CCCCC(C)NCCC(C)O 2230a_200000755665_200011215066 [0,1,0,0,0,0|3,0,0]=4 2122 B11R0.147 CCCCC(C)NCCC(C)O 270004a_200000755665_100000210087 [0,1,0,0,0,0|3,0,0]=4 2123 B11R0.147 CCCCC(C)NCCN(C)C 270004a_100000210585_100000210087 [0,1,0,0,0,0|3,0,0]=4 2124 B11R0.147 CCCCC(C)NCOC(C)C 2230a_100000126638_100000709892 [0,1,0,0,0,0|3,0,0]=4 2125 B11R0.147 CCCCC(C)OCCC(C)Br 34a_100009893172_200011215066 [0,1,0,0,0,0|3,0,0]=4 2126 B11R0.147 CCCCC(C)OCCC(C)C 34a_100000210254_200011215066 [0,1,0,0,0,0|2,0,0]=3 2127 B11R0.147 CCCCC(C)OCCC(C)C 34a_100000687866_100000210312 [0,1,0,0,0,0|2,0,0]=3 2128 B11R0.147 CCCCC(C)OCCC(C)C 7a_100000210254_200011215066 [0,1,0,0,0,0|2,0,0]=3 2129 B11R0.147 CCCCC(C)OCCC(C)C 7a_100000687866_100000210626 [0,1,0,0,0,0|2,0,0]=3 2130 B11R0.147 CCCCC(C)OCCC(C)O 34a_100000687866_100012276601 [0,1,0,0,0,0|3,0,0]=4 2131 B11R0.147 CCCCC(C)OCCC(C)O 7a_100000687866_100012276601 [0,1,0,0,0,0|3,0,0]=4 2132 B11R0.147 CCCCC(C)OCCN(C)C 7a_100000687866_100000755713 [0,1,0,0,0,0|3,0,0]=4 2133 B11R0.147 CCCCC(C)OCC[C@@H](C)N 34a_100000706166_200011215066 [0,1,0,0,0,0|3,0,0]=4 2134 B11R0.147 CCCCC(C)OCOC(C)C 34a_100000687866_100000709892 [0,1,0,0,0,0|3,0,0]=4 2135 B11R0.147 CCCCC(C)SCCC(C)C 62a_100000210312_200011215066 [0,1,0,0,0,0|2,0,0]=3 2136 B11R0.147 CCCCC(C)SCCC(C)C 62a_200011215066_100000210312 [0,1,0,0,0,0|2,0,0]=3 2137 B11R0.147 CCCCC(C)SCCC(C)O 62a_100012276601_200011215066 [0,1,0,0,0,0|3,0,0]=4 2138 B11R0.147 CCCCC(C)SCCC(C)O 62a_200011215066_100012276601 [0,1,0,0,0,0|3,0,0]=4 2139 B11R0.147 CCCCC(C)SCCN(C)C 62a_200011215066_100000755713 [0,1,0,0,0,0|3,0,0]=4 2140 B11R0.147 CCCCC(C)SCOC(C)C 62a_100000709892_200011215066 [0,1,0,0,0,0|3,0,0]=4 2141 B11R0.147 CCCCC(C)SCOC(C)C 62a_200011215066_100000709892 [0,1,0,0,0,0|3,0,0]=4 2142 B11R0.147 CCCCN(C)CCCC(C)C 2230a_100000207549_100011214892 [0,1,0,0,0,0|2,0,0]=3 2143 B11R0.147 CCCCN(C)CCCC(C)C 269982a_100000207549_100011214892 [0,1,0,0,0,0|2,0,0]=3 2144 B11R0.147 CCCCN(C)CCCC(C)O 2230a_100000207549_200000718107 [0,1,0,0,0,0|3,0,0]=4 2145 B11R0.147 CCCCN(C)CCCC(C)O 269982a_100000207549_200000718107 [0,1,0,0,0,0|3,0,0]=4 2146 B11R0.147 CCCCN(C)CCCN(C)C 269982a_100000207549_100000757444 [0,1,0,0,0,0|3,0,0]=4 2147 B11R0.147 CCCCN(C)CCCN(C)C 269982a_100000225831_100000210211 [0,1,0,0,0,0|3,0,0]=4 2148 B11R0.147 CCCCN(C)CCOC(C)C 2230a_100000207549_100000211751 [0,1,0,0,0,0|3,0,0]=4 2149 B11R0.147 CCCCN(C)CCOC(C)C 269982a_100000207549_100000211751 [0,1,0,0,0,0|3,0,0]=4 2150 B11R0.147 CCCCN(C)CCSC(C)C 2230a_100000207549_100000730970 [0,1,0,0,0,0|3,0,0]=4 2151 B11R0.147 CCCCN(C)CCSC(C)C 269982a_100000207549_100000730970 [0,1,0,0,0,0|3,0,0]=4 2152 B11R0.147 CCCC[C@H](N)COCC(C)C 34a_100011934283_100000210624 [0,1,0,0,0,0|3,0,0]=4 2153 B11R0.147 CCCNC(=O)CCCC(C)C 11a_100020643023_100011216857 [0,1,0,0,0,0|2,0,1]=4 2154 B11R0.147 CCCNC(=O)CCCC(C)C 1626a_100020643023_100011216857 [0,1,0,0,0,0|2,0,1]=4 2155 B11R0.147 CCCNC(=O)CCCC(C)C 240690a_100020643023_100011216857 [0,1,0,0,0,0|2,0,1]=4 2156 B11R0.147 CCCNC(=O)CCCC(C)C 527a_100020643023_100011216857 [0,1,0,0,0,0|2,0,1]=4 2157 B11R0.147 CCCNC(C)CCC=C(C)C 270004a_100020643023_100000765506 [0,1,0,0,0,0|1,0,2]=4 2158 B11R0.147 CCCNC(C)CCCC(C)C 2230a_100000210607_100000210303 [0,1,0,0,0,0|1,0,0]=2 2159 B11R0.147 CCCNC(C)CCCC(C)C 270004a_100020643023_100000753411 [0,1,0,0,0,0|1,0,0]=2 2160 B11R0.147 CCCNC(C)CCOC(C)C 270004a_100020643023_200011219172 [0,1,0,0,0,0|2,0,0]=3 2161 B11R0.147 CCCOC(C)CCC=C(C)C 34a_100102619829_100000210303 [0,1,0,0,0,0|1,0,2]=4 2162 B11R0.147 CCCOC(C)CCC=C(C)C 7a_100102619829_100000210303 [0,1,0,0,0,0|1,0,2]=4 2163 B11R0.147 CCCOC(C)CCCC(C)C 34a_200011218570_100000210303 [0,1,0,0,0,0|1,0,0]=2 2164 B11R0.147 CCCOC(C)CCCC(C)C 7a_200011218570_100000210303 [0,1,0,0,0,0|1,0,0]=2 2165 B11R0.147 CCCOC(C)CNCC(C)C 2230a_100015185124_100000210760 [0,1,0,0,0,0|2,0,0]=3 2166 B11R0.147 CCCOC(C)CNCC(C)C 270004a_100015185124_100000210432 [0,1,0,0,0,0|2,0,0]=3 2167 B11R0.147 CCCOC(C)CNCC(C)C 34a_100015185124_100000210624 [0,1,0,0,0,0|2,0,0]=3 2168 B11R0.147 CCCOC(C)CNCC(C)O 2230a_100015185124_100011218427 [0,1,0,0,0,0|3,0,0]=4 2169 B11R0.147 CCCOC(C)CNCC(C)O 34a_100015185124_100011218427 [0,1,0,0,0,0|3,0,0]=4 2170 B11R0.147 CCCOC(C)CNC[C@@H](C)O 2230a_100015185124_100009817552 [0,1,0,0,0,0|3,0,0]=4 2171 B11R0.147 CCCOC(C)CNC[C@@H](C)O 34a_100015185124_100009817552 [0,1,0,0,0,0|3,0,0]=4 2172 B11R0.147 CCNCC(C)CCC=C(C)C 270004a_100015525214_100000033009 [0,1,0,0,0,0|1,0,2]=4 2173 B11R0.147 CCNN=C(C)CCCC(C)C 4a_100000756455_100000753411 [0,1,0,0,0,0|2,0,1]=4 2174 B11R0.147 CCOCC(=O)CCCC(C)C 1458a_100000211967_100011214892 [0,1,0,0,0,0|2,0,1]=4 2175 B11R0.147 CCOCC(C)OCCC(C)C 34a_100000718985_100000210312 [0,1,0,0,0,0|2,0,0]=3 2176 B11R0.147 CCOCC(C)OCCC(C)C 7a_100000718985_100000210626 [0,1,0,0,0,0|2,0,0]=3 2177 B11R0.147 CCOCC(C)OCCC(C)O 34a_100000718985_100012276601 [0,1,0,0,0,0|3,0,0]=4 2178 B11R0.147 CCOCC(C)OCCC(C)O 7a_100000718985_100012276601 [0,1,0,0,0,0|3,0,0]=4 2179 B11R0.147 CCOCC(C)OCCN(C)C 7a_100000718985_100000755713 [0,1,0,0,0,0|3,0,0]=4 2180 B11R0.147 CCOCC(C)OCOC(C)C 34a_100000718985_100000709892 [0,1,0,0,0,0|3,0,0]=4 2181 B11R0.147 CCOCC(O)CNCC(C)C 2230a_102515437182_100000210760 [0,1,0,0,0,0|3,0,0]=4 2182 B11R0.147 CCOCC(O)CNCC(C)C 270004a_102515437182_100000210432 [0,1,0,0,0,0|3,0,0]=4 2183 B11R0.147 CCOCC(O)CNCC(C)C 34a_102515437182_100000210624 [0,1,0,0,0,0|3,0,0]=4 2184 B11R0.147 CCOCN(C)CCCN(C)C 269982a_100000225831_100000739092 [0,1,0,0,0,0|3,0,0]=4 2185 B11R0.147 CCSCC(=O)CCCC(C)C 1458a_100000230394_100011214892 [0,1,0,0,0,0|2,0,1]=4 2186 B11R0.147 CCSCC(C)NCCC(C)C 270004a_100000210545_200011216171 [0,1,0,0,0,0|2,0,0]=3 2187 B11R0.147 CCSCC(C)NCCC(C)O 270004a_200000755665_200011216171 [0,1,0,0,0,0|3,0,0]=4 2188 B11R0.147 CCSCC(C)NCCN(C)C 270004a_100000210585_200011216171 [0,1,0,0,0,0|3,0,0]=4 2189 B11R0.147 CN(C)CCCC(=O)NCCO 240690a_100000210304_100000740757 [0,1,0,0,0,0|2,0,1]=4 2190 B11R0.147 CN(C)CCCN(C)CCC#N 269982a_100000225831_100011215226 [0,1,0,0,0,0|3,0,0]=4 2191 B11R0.147 CN(C)CCCN(C)CCCF 269982a_100000225831_100011934791 [0,1,0,0,0,0|3,0,0]=4 2192 B11R0.147 CN(C)CCCN(C)CCCO 269982a_100000213112_100000757444 [0,1,0,0,0,0|2,0,0]=3 2193 B11R0.147 CN(C)CCCN(C)CCCO 269982a_100000225831_100011215043 [0,1,0,0,0,0|2,0,0]=3 2194 B11R0.147 CNCCC(C)CCC=C(C)C 2230a_106832991635_100009814015 [0,1,0,0,0,0|1,0,2]=4 2195 B11R0.147 CNCCC(C)CCC=C(C)C 269862a_106832991636_100000212096 [0,1,0,0,0,0|1,0,2]=4 2196 B11R0.147 CNCCC(C)CCC=C(C)C 270004a_106832991635_100000212096 [0,1,0,0,0,0|1,0,2]=4 2197 B11R0.147 CNCCC(C)CCC=C(C)C 34a_100102657272_100009814015 [0,1,0,0,0,0|1,0,2]=4 2198 B11R0.147 CNCCC(C)CCC=C(C)C 7a_106832991635_100009814015 [0,1,0,0,0,0|1,0,2]=4 2199 B11R0.147 CNCCC(C)CCCC(C)C 2230a_102516457229_200000210301 [0,1,0,0,0,0|1,0,0]=2 2200 B11R0.147 CNCCC(C)CCCC(C)C 2230a_106832991635_100009816328 [0,1,0,0,0,0|1,0,0]=2 2201 B11R0.147 CNCCC(C)CCCC(C)C 34a_100102657272_100009816328 [0,1,0,0,0,0|1,0,0]=2 2202 B11R0.147 CNCCC(C)CCCC(C)C 7a_106832991635_100009816328 [0,1,0,0,0,0|1,0,0]=2 2203 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100000749529_100011214892 [0,1,0,0,0,0|1,0,1]=3 2204 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100011216857_100000233755 [0,1,0,0,0,0|1,0,1]=3 2205 B11R0.147 COCCC(=O)CCCC(C)O 1458a_100000749529_200000718107 [0,1,0,0,0,0|2,0,1]=4 2206 B11R0.147 COCCC(=O)CCCN(C)C 1458a_100000749529_100000695564 [0,1,0,0,0,0|2,0,1]=4 2207 B11R0.147 COCCC(=O)CCOC(C)C 1458a_100000749529_100000211751 [0,1,0,0,0,0|2,0,1]=4 2208 B11R0.147 COCCC(=O)CCSC(C)C 1458a_100000749529_100000730970 [0,1,0,0,0,0|2,0,1]=4 2209 B11R0.147 COCCC(=O)COCC(C)C 1458a_100011223364_100000233755 [0,1,0,0,0,0|2,0,1]=4 2210 B11R0.147 COCCC(=O)NCCC(C)C 11a_100000210545_100000749529 [0,1,0,0,0,0|2,0,1]=4 2211 B11R0.147 COCCC(=O)NCCC(C)C 1626a_100000210545_100000749529 [0,1,0,0,0,0|2,0,1]=4 2212 B11R0.147 COCCC(=O)NCCC(C)C 240690a_100000210545_100000749529 [0,1,0,0,0,0|2,0,1]=4 2213 B11R0.147 COCCC(=O)NCCC(C)C 527a_100000210545_100000749529 [0,1,0,0,0,0|2,0,1]=4 2214 B11R0.147 COCCC(C)CCC=C(C)C 34a_100000017536_200000210301 [0,1,0,0,0,0|0,0,2]=3 2215 B11R0.147 COCCC(C)CCC=C(C)C 34a_100138415774_100009814015 [0,1,0,0,0,0|0,0,2]=3 2216 B11R0.147 COCCC(C)CCC=C(C)C 7a_100000017536_200000210301 [0,1,0,0,0,0|0,0,2]=3 2217 B11R0.147 COCCC(C)CCCC(C)C 34a_100000015991_200000210301 [0,1,0,0,0,0|0,0,0]=1 2218 B11R0.147 COCCC(C)CCCC(C)C 34a_100138415774_100009816328 [0,1,0,0,0,0|0,0,0]=1 2219 B11R0.147 COCCC(C)CCCC(C)C 7a_100000015991_200000210301 [0,1,0,0,0,0|0,0,0]=1 2220 B11R0.147 COCCC(C)NCC=C(C)C 270004a_100000718196_100000742357 [0,1,0,0,0,0|1,0,2]=4 2221 B11R0.147 COCCC(C)NCCC(C)C 270004a_100000210545_100000742357 [0,1,0,0,0,0|1,0,0]=2 2222 B11R0.147 COCCC(C)NCCC(C)O 270004a_200000755665_100000742357 [0,1,0,0,0,0|2,0,0]=3 2223 B11R0.147 COCCC(C)NCCN(C)C 270004a_100000210585_100000742357 [0,1,0,0,0,0|2,0,0]=3 2224 B11R0.147 COCCN(C)CCC=C(C)C 2230a_100000743101_100011217483 [0,1,0,0,0,0|1,0,2]=4 2225 B11R0.147 COCCN(C)CCC=C(C)C 269982a_100000743101_100011217483 [0,1,0,0,0,0|1,0,2]=4 2226 B11R0.147 COCCN(C)CCCC(=O)C 269982a_100000743101_100011215641 [0,1,0,0,0,0|2,0,1]=4 2227 B11R0.147 COCCN(C)CCCC(C)C 2230a_100000743101_100011214892 [0,1,0,0,0,0|1,0,0]=2 2228 B11R0.147 COCCN(C)CCCC(C)C 269982a_100000743101_100011214892 [0,1,0,0,0,0|1,0,0]=2 2229 B11R0.147 COCCN(C)CCCC(C)O 2230a_100000743101_200000718107 [0,1,0,0,0,0|2,0,0]=3 2230 B11R0.147 COCCN(C)CCCC(C)O 269982a_100000743101_200000718107 [0,1,0,0,0,0|2,0,0]=3 2231 B11R0.147 COCCN(C)CCCN(C)C 269982a_100000225831_100000233755 [0,1,0,0,0,0|2,0,0]=3 2232 B11R0.147 COCCN(C)CCCN(C)C 269982a_100000743101_100000757444 [0,1,0,0,0,0|2,0,0]=3 2233 B11R0.147 COCCN(C)CCOC(C)C 2230a_100000743101_100000211751 [0,1,0,0,0,0|2,0,0]=3 2234 B11R0.147 COCCN(C)CCOC(C)C 269982a_100000743101_100000211751 [0,1,0,0,0,0|2,0,0]=3 2235 B11R0.147 COCCN(C)CCSC(C)C 2230a_100000743101_100000730970 [0,1,0,0,0,0|2,0,0]=3 2236 B11R0.147 COCCN(C)CCSC(C)C 269982a_100000743101_100000730970 [0,1,0,0,0,0|2,0,0]=3 2237 B11R0.147 COCNC(C)CCCC(C)C 2230a_100000210607_100000766300 [0,1,0,0,0,0|1,0,0]=2 2238 B11R0.147 COCO[C@H](C)COCC(C)C 34a_100016172286_100000210624 [0,1,0,0,0,0|2,0,0]=3 2239 B11R0.147 COCO[C@H](C)COCC(C)C 7a_100016172286_100000210760 [0,1,0,0,0,0|2,0,0]=3 2240 B11R0.147 COCO[C@H](C)COCC(C)O 34a_100016172286_100011218427 [0,1,0,0,0,0|3,0,0]=4 2241 B11R0.147 COCO[C@H](C)COCC(C)O 7a_100016172286_100011218427 [0,1,0,0,0,0|3,0,0]=4 2242 B11R0.147 COCO[C@H](C)COC[C@@H](C)O 34a_100016172286_100009817552 [0,1,0,0,0,0|3,0,0]=4 2243 B11R0.147 COCO[C@H](C)COC[C@@H](C)O 7a_100016172286_100009817552 [0,1,0,0,0,0|3,0,0]=4 2244 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100000174002_100011214892 [0,1,0,0,0,0|1,1,1]=4 2245 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100011216857_100000751147 [0,1,0,0,0,0|1,1,1]=4 2246 B11R0.147 CSCCC(C)CCC=C(C)C 62a_100009814015_200000210301 [0,1,0,0,0,0|0,1,2]=4 2247 B11R0.147 CSCCC(C)CCC=C(C)C 62a_200000210301_100009814015 [0,1,0,0,0,0|0,1,2]=4 2248 B11R0.147 CSCCC(C)CCCC(C)C 62a_100009816328_200000210301 [0,1,0,0,0,0|0,1,0]=2 2249 B11R0.147 CSCCC(C)CCCC(C)C 62a_200000210301_100009816328 [0,1,0,0,0,0|0,1,0]=2 2250 B11R0.147 CSCCC(C)NCCC(C)C 270004a_100000210545_100011217047 [0,1,0,0,0,0|1,1,0]=3 2251 B11R0.147 CSCCC(C)NCCC(C)O 270004a_200000755665_100011217047 [0,1,0,0,0,0|2,1,0]=4 2252 B11R0.147 CSCCC(C)NCCN(C)C 270004a_100000210585_100011217047 [0,1,0,0,0,0|2,1,0]=4 2253 B11R0.147 CSCCN(C)CCCC(C)C 2230a_100000686725_100011214892 [0,1,0,0,0,0|1,1,0]=3 2254 B11R0.147 CSCCN(C)CCCC(C)C 269982a_100000686725_100011214892 [0,1,0,0,0,0|1,1,0]=3 2255 B11R0.147 CSCCN(C)CCCC(C)O 2230a_100000686725_200000718107 [0,1,0,0,0,0|2,1,0]=4 2256 B11R0.147 CSCCN(C)CCCC(C)O 269982a_100000686725_200000718107 [0,1,0,0,0,0|2,1,0]=4 2257 B11R0.147 CSCCN(C)CCCN(C)C 269982a_100000225831_100000212216 [0,1,0,0,0,0|2,1,0]=4 2258 B11R0.147 CSCCN(C)CCCN(C)C 269982a_100000686725_100000757444 [0,1,0,0,0,0|2,1,0]=4 2259 B11R0.147 CSCCN(C)CCOC(C)C 2230a_100000686725_100000211751 [0,1,0,0,0,0|2,1,0]=4 2260 B11R0.147 CSCCN(C)CCOC(C)C 269982a_100000686725_100000211751 [0,1,0,0,0,0|2,1,0]=4 2261 B11R0.147 CSCCN(C)CCSC(C)C 2230a_100000686725_100000730970 [0,1,0,0,0,0|2,1,0]=4 2262 B11R0.147 CSCCN(C)CCSC(C)C 269982a_100000686725_100000730970 [0,1,0,0,0,0|2,1,0]=4 2263 B11R0.147 CSCC[C@H](N)COCC(C)C 34a_100011827619_100000210624 [0,1,0,0,0,0|2,1,0]=4 2264 B11R0.147 CSCNC(C)CCCC(C)C 2230a_100000210607_100011218213 [0,1,0,0,0,0|1,1,0]=3 2265 B11R0.147 CSCOC(C)CCCC(C)C 34a_200011218570_100011218213 [0,1,0,0,0,0|1,1,0]=3 2266 B11R0.147 C[C@H](CCCO)CNCC(F)F 2230a_100160569302_100011934356 [0,1,0,0,0,0|3,0,0]=4 2267 B11R0.147 C[C@H](CCCO)CNCC(F)F 34a_100160569302_100011934356 [0,1,0,0,0,0|3,0,0]=4 2268 B11R0.147 C[C@H](CCCO)CNC[C@@H](C)O 2230a_100160569302_100009817552 [0,1,0,0,0,0|2,0,0]=3 2269 B11R0.147 C[C@H](CCCO)CNC[C@@H](C)O 34a_100160569302_100009817552 [0,1,0,0,0,0|2,0,0]=3 2270 B11R0.174 C#CC(C)OCCC(C)CCC 34a_100011217855_200000035995 [0,1,0,0,0,0|2,0,1]=4 2271 B11R0.174 C=CC(C)COCC(C)CCC 34a_100011215527_100011216630 [0,1,0,0,0,0|2,0,1]=4 2272 B11R0.174 C=CC(C)COCC(C)CCC 7a_100011215527_100011216630 [0,1,0,0,0,0|2,0,1]=4 2273 B11R0.174 C=CCC(C)COCC(C)CC 34a_100009832082_100000748023 [0,1,0,0,0,0|2,0,1]=4 2274 B11R0.174 C=CCC(C)COCC(C)CC 7a_100009832082_100000748023 [0,1,0,0,0,0|2,0,1]=4 2275 B11R0.174 C=CCC(C)COC[C@@H](C)CC 34a_100009832082_100009816398 [0,1,0,0,0,0|2,0,1]=4 2276 B11R0.174 C=CCC(C)COC[C@@H](C)CC 7a_100009832082_100009816398 [0,1,0,0,0,0|2,0,1]=4 2277 B11R0.174 C=CCC(C)COC[C@@H](C)CO 34a_100009832082_100000059175 [0,1,0,0,0,0|2,0,1]=4 2278 B11R0.174 C=CCC(C)COC[C@@H](C)CO 7a_100009832082_100000059175 [0,1,0,0,0,0|2,0,1]=4 2279 B11R0.174 CC(CCN)COCC(O)CO 34a_106354213184_100011219619 [0,1,0,0,0,0|3,0,0]=4 2280 B11R0.174 CC(CCN)COC[C@@H](C)CO 34a_106354213184_100000059175 [0,1,0,0,0,0|2,0,0]=3 2281 B11R0.174 CC(CCN)COC[C@@H](O)CF 34a_106354213184_100015614560 [0,1,0,0,0,0|3,0,0]=4 2282 B11R0.174 CC(CCN)COC[C@@H](O)CO 34a_106354213184_100009815848 [0,1,0,0,0,0|3,0,0]=4 2283 B11R0.174 CC(CO)CCNC(=O)CCO 240690a_106354213184_100011216618 [0,1,0,0,0,0|2,0,1]=4 2284 B11R0.174 CC(CO)CCNC(C)CC#N 2230a_106354213184_100009813641 [0,1,0,0,0,0|2,0,1]=4 2285 B11R0.174 CC(CO)CCNC(C)CCO 2230a_106354213184_100009893172 [0,1,0,0,0,0|1,0,0]=2 2286 B11R0.174 CC(CO)CCNC(C)CCO 34a_106354213184_100009893172 [0,1,0,0,0,0|1,0,0]=2 2287 B11R0.174 CCC(C)CCNC(=O)CCO 240690a_100020591266_100011216618 [0,1,0,0,0,0|2,0,1]=4 2288 B11R0.174 CCC(C)CCNC(C)CC#N 2230a_100020591266_100009813641 [0,1,0,0,0,0|2,0,1]=4 2289 B11R0.174 CCC(C)CCNC(C)CCO 2230a_100020591266_100009893172 [0,1,0,0,0,0|1,0,0]=2 2290 B11R0.174 CCC(C)CCNC(C)COC 2230a_100020591266_100000765312 [0,1,0,0,0,0|3,0,0]=4 2291 B11R0.174 CCC(C)CCNC(C)COC 270004a_100020591266_100000749346 [0,1,0,0,0,0|3,0,0]=4 2292 B11R0.174 CCC(C)CCNC(C)CSC 270004a_100020591266_100011216314 [0,1,0,0,0,0|3,0,0]=4 2293 B11R0.174 CCC(C)CCOC(C)CC#N 7a_100011215188_100009813641 [0,1,0,0,0,0|2,0,1]=4 2294 B11R0.174 CCC(C)CCOC(C)CCO 7a_100011215188_100009893172 [0,1,0,0,0,0|1,0,0]=2 2295 B11R0.174 CCC(C)CCOC(C)COC 7a_100011215188_100000765312 [0,1,0,0,0,0|3,0,0]=4 2296 B11R0.174 CCC(C)COCC(C)CCN 34a_106354213184_100000748023 [0,1,0,0,0,0|2,0,0]=3 2297 B11R0.174 CCC(O)COCC(C)CCN 34a_106354213184_100011218378 [0,1,0,0,0,0|3,0,0]=4 2298 B11R0.174 CCCC(C)CCOC(C)C#N 7a_100011217855_100000703298 [0,1,0,0,0,0|2,0,1]=4 2299 B11R0.174 CCCC(C)CCOC(C)CC 34a_100011217855_100011215416 [0,1,0,0,0,0|2,0,0]=3 2300 B11R0.174 CCCC(C)CCOC(C)CC 7a_100011217855_100000758301 [0,1,0,0,0,0|2,0,0]=3 2301 B11R0.174 CCCC(C)CCOC(C)CO 34a_100011217855_100012180447 [0,1,0,0,0,0|2,0,0]=3 2302 B11R0.174 CCCC(C)CCOC(C)CO 7a_100011217855_100012180447 [0,1,0,0,0,0|2,0,0]=3 2303 B11R0.174 CCCC(C)CNCC(C)CC 2230a_100020588543_100011216630 [0,1,0,0,0,0|2,0,0]=3 2304 B11R0.174 CCCC(C)CNCC(C)CC 270004a_100020588543_100000243154 [0,1,0,0,0,0|2,0,0]=3 2305 B11R0.174 CCCC(C)CNCC(C)CO 34a_100000744482_100011216630 [0,1,0,0,0,0|2,0,0]=3 2306 B11R0.174 CCCC(C)CNCC(O)CC 2230a_100011218483_100011216630 [0,1,0,0,0,0|3,0,0]=4 2307 B11R0.174 CCCC(C)CNCC(O)CC 270004a_100011218483_100000243154 [0,1,0,0,0,0|3,0,0]=4 2308 B11R0.174 CCCC(C)CNC[C@@H](C)OC 2230a_100020591295_100011216630 [0,1,0,0,0,0|2,0,0]=3 2309 B11R0.174 CCCC(C)CNC[C@@H](C)OC 270004a_100020591295_100000243154 [0,1,0,0,0,0|2,0,0]=3 2310 B11R0.174 CCCC(C)CNC[C@@H](F)CO 270004a_100015665980_100000243154 [0,1,0,0,0,0|3,0,0]=4 2311 B11R0.174 CCCC(C)CNC[C@@H](F)CO 34a_100015665980_100011216630 [0,1,0,0,0,0|3,0,0]=4 2312 B11R0.174 CCCC(C)CNC[C@H](O)CO 2230a_100020644852_100011216630 [0,1,0,0,0,0|3,0,0]=4 2313 B11R0.174 CCCC(C)COCC(C)CC 34a_100000688023_100000748023 [0,1,0,0,0,0|2,0,0]=3 2314 B11R0.174 CCCC(C)COCC(C)CC 7a_100000688023_100000748023 [0,1,0,0,0,0|2,0,0]=3 2315 B11R0.174 CCCC(C)COCC(C)CN 34a_100000744482_100011216630 [0,1,0,0,0,0|2,0,0]=3 2316 B11R0.174 CCCC(C)COCC(C)OC 34a_100000690652_100011216630 [0,1,0,0,0,0|2,0,0]=3 2317 B11R0.174 CCCC(C)COCC(Cl)CCl 34a_100000033668_100011216630 [0,1,0,0,0,0|3,0,0]=4 2318 B11R0.174 CCCC(C)COCC(O)CC 34a_100000688023_100011218378 [0,1,0,0,0,0|3,0,0]=4 2319 B11R0.174 CCCC(C)COCC(O)CC 7a_100000688023_100011218378 [0,1,0,0,0,0|3,0,0]=4 2320 B11R0.174 CCCC(C)COCC(O)CO 34a_100000688023_100011219619 [0,1,0,0,0,0|3,0,0]=4 2321 B11R0.174 CCCC(C)COCC(O)CO 7a_100000688023_100011219619 [0,1,0,0,0,0|3,0,0]=4 2322 B11R0.174 CCCC(C)COC[C@@H](C)CC 34a_100000688023_100009816398 [0,1,0,0,0,0|2,0,0]=3 2323 B11R0.174 CCCC(C)COC[C@@H](C)CC 7a_100000688023_100009816398 [0,1,0,0,0,0|2,0,0]=3 2324 B11R0.174 CCCC(C)COC[C@@H](C)CC 7a_100009816381_100011216630 [0,1,0,0,0,0|2,0,0]=3 2325 B11R0.174 CCCC(C)COC[C@@H](C)CO 34a_100000688023_100000059175 [0,1,0,0,0,0|2,0,0]=3 2326 B11R0.174 CCCC(C)COC[C@@H](C)CO 7a_100000688023_100000059175 [0,1,0,0,0,0|2,0,0]=3 2327 B11R0.174 CCCC(C)COC[C@@H](O)CF 34a_100000688023_100015614560 [0,1,0,0,0,0|3,0,0]=4 2328 B11R0.174 CCCC(C)COC[C@@H](O)CF 7a_100000688023_100015614560 [0,1,0,0,0,0|3,0,0]=4 2329 B11R0.174 CCCC(C)COC[C@@H](O)CO 34a_100000688023_100009815848 [0,1,0,0,0,0|3,0,0]=4 2330 B11R0.174 CCCC(C)COC[C@@H](O)CO 7a_100000688023_100009815848 [0,1,0,0,0,0|3,0,0]=4 2331 B11R0.174 CCCC(C)COC[C@H](F)CN 34a_100015665980_100011216630 [0,1,0,0,0,0|3,0,0]=4 2332 B11R0.174 CCCC(C)CSCC(C)CC 62a_100000748023_100011216630 [0,1,0,0,0,0|2,0,0]=3 2333 B11R0.174 CCCC(C)CSCC(C)CC 62a_100011216630_100000748023 [0,1,0,0,0,0|2,0,0]=3 2334 B11R0.174 CCCC(C)CSCC(O)CC 62a_100011216630_100011218378 [0,1,0,0,0,0|3,0,0]=4 2335 B11R0.174 CCCC(C)CSCC(O)CC 62a_100011218378_100011216630 [0,1,0,0,0,0|3,0,0]=4 2336 B11R0.174 CCCC(C)CSCC(O)CO 62a_100011216630_100011219619 [0,1,0,0,0,0|3,0,0]=4 2337 B11R0.174 CCCC(C)CSCC(O)CO 62a_100011219619_100011216630 [0,1,0,0,0,0|3,0,0]=4 2338 B11R0.174 CCCC(C)CSC[C@@H](C)CC 62a_100009816398_100011216630 [0,1,0,0,0,0|2,0,0]=3 2339 B11R0.174 CCCC(C)CSC[C@@H](C)CC 62a_100011216630_100009816398 [0,1,0,0,0,0|2,0,0]=3 2340 B11R0.174 CCCC(C)CSC[C@@H](C)CO 62a_100000059175_100011216630 [0,1,0,0,0,0|2,0,0]=3 2341 B11R0.174 CCCC(C)CSC[C@@H](C)CO 62a_100011216630_100000059175 [0,1,0,0,0,0|2,0,0]=3 2342 B11R0.174 CCCC(C)CSC[C@@H](O)CF 62a_100011216630_100015614560 [0,1,0,0,0,0|3,0,0]=4 2343 B11R0.174 CCCC(C)CSC[C@@H](O)CF 62a_100015614560_100011216630 [0,1,0,0,0,0|3,0,0]=4 2344 B11R0.174 CCCC(C)CSC[C@@H](O)CO 62a_100009815848_100011216630 [0,1,0,0,0,0|3,0,0]=4 2345 B11R0.174 CCCC(C)CSC[C@@H](O)CO 62a_100011216630_100009815848 [0,1,0,0,0,0|3,0,0]=4 2346 B11R0.174 CCCC(C)NCCC(C)CC 2230a_100020591266_100000766640 [0,1,0,0,0,0|2,0,0]=3 2347 B11R0.174 CCCC(C)NCCC(C)CC 270004a_100020591266_100000211909 [0,1,0,0,0,0|2,0,0]=3 2348 B11R0.174 CCCC(C)NCCC(C)CO 2230a_106354213184_100000766640 [0,1,0,0,0,0|2,0,0]=3 2349 B11R0.174 CCCC(C)NCCC(C)CO 270004a_106354213184_100000211909 [0,1,0,0,0,0|2,0,0]=3 2350 B11R0.174 CCCC(C)NCCC(C)CO 34a_106354213184_100000766640 [0,1,0,0,0,0|2,0,0]=3 2351 B11R0.174 CCCC(C)OCCC(C)CC 7a_100011215188_100000766640 [0,1,0,0,0,0|2,0,0]=3 2352 B11R0.174 CCCC(C)OCCC(C)OC 7a_100000764861_100000766640 [0,1,0,0,0,0|2,0,0]=3 2353 B11R0.174 CCCN(C)CCCN(C)CC 2230a_100000747261_100015186262 [0,1,0,0,0,0|3,0,0]=4 2354 B11R0.174 CCCN(C)CCCN(C)CC 269982a_100000747261_100015186262 [0,1,0,0,0,0|3,0,0]=4 2355 B11R0.174 CCC[C@H](N)CCOC(C)CC 34a_100015193777_100011215416 [0,1,0,0,0,0|3,0,0]=4 2356 B11R0.174 CCC[C@H](N)CCOC(C)CO 34a_100015193777_100012180447 [0,1,0,0,0,0|3,0,0]=4 2357 B11R0.174 CCC[C@H](N)COCC(C)CC 34a_100000732646_100000748023 [0,1,0,0,0,0|3,0,0]=4 2358 B11R0.174 CCC[C@H](N)COC[C@@H](C)CC 34a_100000732646_100009816398 [0,1,0,0,0,0|3,0,0]=4 2359 B11R0.174 CCC[C@H](N)COC[C@@H](C)CO 34a_100000732646_100000059175 [0,1,0,0,0,0|3,0,0]=4 2360 B11R0.174 CCN(C)CCCC(=O)CCO 1458a_100011216618_100015186262 [0,1,0,0,0,0|2,0,1]=4 2361 B11R0.174 CCN(C)CCCN(C)CCO 2230a_100000210263_100015186262 [0,1,0,0,0,0|2,0,0]=3 2362 B11R0.174 CCN(C)CCCN(C)CCO 269982a_100000210263_100015186262 [0,1,0,0,0,0|2,0,0]=3 2363 B11R0.174 CC[C@H](C)COCC(C)CCN 34a_106354213184_100009816398 [0,1,0,0,0,0|2,0,0]=3 2364 B11R0.174 CNC(=O)CCCN(C)CCO 2230a_100000210263_100000741757 [0,1,0,0,0,0|2,0,1]=4 2365 B11R0.174 CNC(=O)CCCN(C)CCO 269982a_100000210263_100000741757 [0,1,0,0,0,0|2,0,1]=4 2366 B11R0.174 CNC(=O)CCNC(C)CCO 2230a_100000738227_100009893172 [0,1,0,0,0,0|2,0,1]=4 2367 B11R0.174 CNC(=O)CCNC(C)CCO 34a_100000738227_100009893172 [0,1,0,0,0,0|2,0,1]=4 2368 B11R0.174 CNC(=O)CCN[C@H](C)CCO 2230a_100000706166_100000737683 [0,1,0,0,0,0|2,0,1]=4 2369 B11R0.174 CNC(=O)CCN[C@H](C)CCO 34a_100000706166_100012179268 [0,1,0,0,0,0|2,0,1]=4 2370 B11R0.174 CNC(=O)CCOC(C)CCO 34a_100000754576_100009893172 [0,1,0,0,0,0|2,0,1]=4 2371 B11R0.174 CNC(=O)CCSC(C)CCO 62a_100000737683_100009893172 [0,1,0,0,0,0|2,0,1]=4 2372 B11R0.174 CNC(=O)CCSC(C)CCO 62a_100009893172_100000737683 [0,1,0,0,0,0|2,0,1]=4 2373 B11R0.174 COC(=O)CCCN(C)CCO 2230a_100000210263_100011218270 [0,1,0,0,0,0|2,0,1]=4 2374 B11R0.174 COC(=O)CCCN(C)CCO 269982a_100000210263_100011218270 [0,1,0,0,0,0|2,0,1]=4 2375 B11R0.174 COC(=O)CCCN(C)CCO 269982a_100000739225_100000211926 [0,1,0,0,0,0|2,0,1]=4 2376 B11R0.174 COC(=O)CCN[C@H](C)CCO 2230a_100000706166_100000204255 [0,1,0,0,0,0|2,0,1]=4 2377 B11R0.174 COC(=O)CCN[C@H](C)CCO 34a_100000706166_100000742370 [0,1,0,0,0,0|2,0,1]=4 2378 B11R0.174 COC(=O)CCSC(C)CCO 62a_100000204255_100009893172 [0,1,0,0,0,0|2,0,1]=4 2379 B11R0.174 COC(=O)CCSC(C)CCO 62a_100009893172_100000204255 [0,1,0,0,0,0|2,0,1]=4 2380 B11R0.174 COC(C)CCOC(C)CC#N 7a_100000764861_100009813641 [0,1,0,0,0,0|2,0,1]=4 2381 B11R0.174 COC(C)CCOC(C)CCO 7a_100000764861_100009893172 [0,1,0,0,0,0|1,0,0]=2 2382 B11R0.174 COCC(C)NCCC(C)CO 2230a_106354213184_100000765312 [0,1,0,0,0,0|3,0,0]=4 2383 B11R0.174 COCC(C)NCCC(C)CO 270004a_106354213184_100000749346 [0,1,0,0,0,0|3,0,0]=4 2384 B11R0.174 COCC(C)NCCC(C)CO 34a_106354213184_100000765312 [0,1,0,0,0,0|3,0,0]=4 2385 B11R0.174 COCC(C)OCCC(C)OC 7a_100000764861_100000765312 [0,1,0,0,0,0|3,0,0]=4 2386 B11R0.174 CSCC(C)NCCC(C)CO 270004a_106354213184_100011216314 [0,1,0,0,0,0|3,0,0]=4 2387 B11R0.180 C#CCC(C)OCCC(C)(C)C 34a_100000685586_100000755188 [0,1,0,0,0,0|2,0,1]=4 2388 B11R0.180 C#CCC(C)OCCC(C)(C)C 7a_100000685586_100000755188 [0,1,0,0,0,0|2,0,1]=4 2389 B11R0.180 C#CCC(C)OCCC(C)(C)O 34a_100000685586_100000702414 [0,1,0,0,0,0|2,0,1]=4 2390 B11R0.180 C#CCC(C)OCCC(C)(C)O 7a_100000685586_100000702414 [0,1,0,0,0,0|2,0,1]=4 2391 B11R0.180 C#CCN(C)CCCC(C)(C)O 2230a_100000225692_100009888830 [0,1,0,0,0,0|2,0,1]=4 2392 B11R0.180 C#CCN(C)CCCC(C)(C)O 34a_100000225692_100009888830 [0,1,0,0,0,0|2,0,1]=4 2393 B11R0.180 C=CCC(C)COCC(C)(C)C 34a_100009832082_100011219605 [0,1,0,0,0,0|2,0,1]=4 2394 B11R0.180 C=CCC(C)COCC(C)(C)F 34a_100009832082_100011997219 [0,1,0,0,0,0|2,0,1]=4 2395 B11R0.180 C=CCC(C)COCC(C)(C)O 34a_100009832082_100000764493 [0,1,0,0,0,0|2,0,1]=4 2396 B11R0.180 C=CCC(C)COCC(C)(C)O 7a_100009832082_100000764493 [0,1,0,0,0,0|2,0,1]=4 2397 B11R0.180 C=CCN(C)CCCC(C)(C)O 2230a_100000225617_100009888830 [0,1,0,0,0,0|2,0,1]=4 2398 B11R0.180 C=CCN(C)CCCC(C)(C)O 269982a_100000225617_100009888830 [0,1,0,0,0,0|2,0,1]=4 2399 B11R0.180 C=CC[C@@H](C)OCCC(C)(C)C 34a_100000731007_100000755188 [0,1,0,0,0,0|2,0,1]=4 2400 B11R0.180 C=CC[C@@H](C)OCCC(C)(C)C 7a_100000731007_100000755188 [0,1,0,0,0,0|2,0,1]=4 2401 B11R0.180 C=CC[C@@H](C)OCCC(C)(C)O 34a_100000731007_100000702414 [0,1,0,0,0,0|2,0,1]=4 2402 B11R0.180 C=CC[C@@H](C)OCCC(C)(C)O 7a_100000731007_100000702414 [0,1,0,0,0,0|2,0,1]=4 2403 B11R0.180 CC(C)(C)CCNC(=O)CCO 240690a_100000738805_100011216618 [0,1,0,0,0,0|2,0,1]=4 2404 B11R0.180 CC(C)(F)CCNC(=O)CCO 240690a_100016253952_100011216618 [0,1,0,0,0,0|2,0,1]=4 2405 B11R0.180 CC(CC#N)NCCC(C)(C)C 2230a_100000738805_100009813641 [0,1,0,0,0,0|2,0,1]=4 2406 B11R0.180 CC(CC#N)NCCC(C)(C)F 2230a_100016253952_100009813641 [0,1,0,0,0,0|2,0,1]=4 2407 B11R0.180 CC(CC#N)OCCC(C)(C)C 7a_100000765024_100009813641 [0,1,0,0,0,0|2,0,1]=4 2408 B11R0.180 CC(CC#N)SCCC(C)(C)C 62a_100000755188_100009813641 [0,1,0,0,0,0|2,0,1]=4 2409 B11R0.180 CC(CC#N)SCCC(C)(C)C 62a_100009813641_100000755188 [0,1,0,0,0,0|2,0,1]=4 2410 B11R0.180 CC(CC#N)SCCC(C)(C)O 62a_100000702414_100009813641 [0,1,0,0,0,0|2,0,1]=4 2411 B11R0.180 CC(CC#N)SCCC(C)(C)O 62a_100009813641_100000702414 [0,1,0,0,0,0|2,0,1]=4 2412 B11R0.180 CC(CCBr)OCCC(C)(C)C 34a_100012276601_100000755188 [0,1,0,0,0,0|2,0,0]=3 2413 B11R0.180 CC(CCBr)OCCC(C)(C)O 34a_100012276601_100000702414 [0,1,0,0,0,0|2,0,0]=3 2414 B11R0.180 CC(CCBr)OCC[N+](C)(C)C 34a_100012276601_100000085578 [0,1,0,0,0,0|3,0,0]=4 2415 B11R0.180 CC(CCBr)OCC[Si](C)(C)C 34a_100012276601_200000733723 [0,1,0,0,0,0|2,1,0]=4 2416 B11R0.180 CC(CCN)COCC(C)(C)C 34a_106354213184_100011219605 [0,1,0,0,0,0|2,0,0]=3 2417 B11R0.180 CC(CCN)COCC(C)(C)F 34a_106354213184_100011997219 [0,1,0,0,0,0|2,0,0]=3 2418 B11R0.180 CC(CCN)COCC(C)(C)O 34a_106354213184_100000764493 [0,1,0,0,0,0|2,0,0]=3 2419 B11R0.180 CC(CCO)NCCC(C)(C)C 2230a_100000738805_100009893172 [0,1,0,0,0,0|1,0,0]=2 2420 B11R0.180 CC(CCO)NCCC(C)(C)F 2230a_100016253952_100009893172 [0,1,0,0,0,0|1,0,0]=2 2421 B11R0.180 CC(CCO)NCCC(F)(F)F 2230a_100000740434_100009893172 [0,1,0,0,0,0|3,0,0]=4 2422 B11R0.180 CC(CCO)NCCC(F)(F)F 34a_100000740434_100009893172 [0,1,0,0,0,0|3,0,0]=4 2423 B11R0.180 CC(CCO)NCCS(=O)(=O)C 2230a_100000740961_100009893172 [0,1,0,0,0,0|3,0,0]=4 2424 B11R0.180 CC(CCO)NCCS(=O)(=O)C 34a_100000740961_100009893172 [0,1,0,0,0,0|3,0,0]=4 2425 B11R0.180 CC(CCO)OCCC(C)(C)C 7a_100000765024_100009893172 [0,1,0,0,0,0|1,0,0]=2 2426 B11R0.180 CC(CCO)OCCC(F)(F)F 34a_100000752437_100009893172 [0,1,0,0,0,0|3,0,0]=4 2427 B11R0.180 CC(CCO)OCCS(=O)(=O)C 34a_100000211924_100009893172 [0,1,0,0,0,0|3,0,0]=4 2428 B11R0.180 CC(CCO)OCCS(=O)(=O)C 7a_100000211924_100009893172 [0,1,0,0,0,0|3,0,0]=4 2429 B11R0.180 CC(CCO)OCC[N+](C)(C)C 7a_200020618287_100009893172 [0,1,0,0,0,0|2,0,0]=3 2430 B11R0.180 CC(CCO)OCC[Si](C)(C)C 7a_100000039746_100009893172 [0,1,0,0,0,0|1,1,0]=3 2431 B11R0.180 CC(CCO)SCCC(C)(C)C 62a_100000755188_100009893172 [0,1,0,0,0,0|1,0,0]=2 2432 B11R0.180 CC(CCO)SCCC(C)(C)C 62a_100009893172_100000755188 [0,1,0,0,0,0|1,0,0]=2 2433 B11R0.180 CC(CCO)SCCC(C)(C)O 62a_100000702414_100009893172 [0,1,0,0,0,0|1,0,0]=2 2434 B11R0.180 CC(CCO)SCCC(C)(C)O 62a_100009893172_100000702414 [0,1,0,0,0,0|1,0,0]=2 2435 B11R0.180 CC(CCO)SCCC(F)(F)F 62a_100009893172_100011219754 [0,1,0,0,0,0|3,0,0]=4 2436 B11R0.180 CC(CCO)SCCC(F)(F)F 62a_100011219754_100009893172 [0,1,0,0,0,0|3,0,0]=4 2437 B11R0.180 CC(CCO)SCCS(=O)(=O)C 62a_100000731031_100009893172 [0,1,0,0,0,0|3,0,0]=4 2438 B11R0.180 CC(CCO)SCCS(=O)(=O)C 62a_100009893172_100000230027 [0,1,0,0,0,0|3,0,0]=4 2439 B11R0.180 CC(CCO)SCC[N+](C)(C)C 62a_100000085578_100009893172 [0,1,0,0,0,0|2,0,0]=3 2440 B11R0.180 CC(CCO)SCC[N+](C)(C)C 62a_100009893172_100000085578 [0,1,0,0,0,0|2,0,0]=3 2441 B11R0.180 CC(CCO)SCC[Si](C)(C)C 62a_100009893172_200000733723 [0,1,0,0,0,0|1,1,0]=3 2442 B11R0.180 CC(CCO)SCC[Si](C)(C)C 62a_200000733723_100009893172 [0,1,0,0,0,0|1,1,0]=3 2443 B11R0.180 CCCC(C)CCOC(C)(C)C 34a_100011217855_100000210625 [0,1,0,0,0,0|2,0,0]=3 2444 B11R0.180 CCCC(C)CNCC(C)(C)C 2230a_100000743828_100011216630 [0,1,0,0,0,0|2,0,0]=3 2445 B11R0.180 CCCC(C)CNCC(C)(C)C 270004a_100000743828_100000243154 [0,1,0,0,0,0|2,0,0]=3 2446 B11R0.180 CCCC(C)CNCC(C)(C)F 2230a_100020643315_100011216630 [0,1,0,0,0,0|2,0,0]=3 2447 B11R0.180 CCCC(C)CNCC(C)(C)F 270004a_100020643315_100000243154 [0,1,0,0,0,0|2,0,0]=3 2448 B11R0.180 CCCC(C)CNCC(C)(C)O 2230a_100000751335_100011216630 [0,1,0,0,0,0|2,0,0]=3 2449 B11R0.180 CCCC(C)CNCC(C)(C)O 270004a_100000751335_100000243154 [0,1,0,0,0,0|2,0,0]=3 2450 B11R0.180 CCCC(C)CNCC(C)(F)F 270004a_100000731000_100000243154 [0,1,0,0,0,0|3,0,0]=4 2451 B11R0.180 CCCC(C)COCC(C)(C)C 34a_100000688023_100011219605 [0,1,0,0,0,0|2,0,0]=3 2452 B11R0.180 CCCC(C)COCC(C)(C)F 34a_100000688023_100011997219 [0,1,0,0,0,0|2,0,0]=3 2453 B11R0.180 CCCC(C)COCC(C)(C)F 34a_100000716592_100011216630 [0,1,0,0,0,0|2,0,0]=3 2454 B11R0.180 CCCC(C)COCC(C)(C)O 34a_100000688023_100000764493 [0,1,0,0,0,0|2,0,0]=3 2455 B11R0.180 CCCC(C)COCC(C)(C)O 7a_100000688023_100000764493 [0,1,0,0,0,0|2,0,0]=3 2456 B11R0.180 CCCC(C)COCC(C)(F)F 34a_100000068830_100011216630 [0,1,0,0,0,0|3,0,0]=4 2457 B11R0.180 CCCC(C)COC[Si](C)(C)C 7a_100000688023_100000233785 [0,1,0,0,0,0|2,1,0]=4 2458 B11R0.180 CCCC(C)CSCC(C)(C)C 62a_100011216630_100011219605 [0,1,0,0,0,0|2,0,0]=3 2459 B11R0.180 CCCC(C)CSCC(C)(C)C 62a_100011219605_100011216630 [0,1,0,0,0,0|2,0,0]=3 2460 B11R0.180 CCCC(C)CSCC(C)(C)F 62a_100011216630_100011997219 [0,1,0,0,0,0|2,0,0]=3 2461 B11R0.180 CCCC(C)CSCC(C)(C)F 62a_100011997219_100011216630 [0,1,0,0,0,0|2,0,0]=3 2462 B11R0.180 CCCC(C)CSCC(C)(C)O 62a_100000764493_100011216630 [0,1,0,0,0,0|2,0,0]=3 2463 B11R0.180 CCCC(C)CSCC(C)(C)O 62a_100011216630_100000764493 [0,1,0,0,0,0|2,0,0]=3 2464 B11R0.180 CCCC(C)CSC[N+](C)(C)C 62a_100011216630_200000036245 [0,1,0,0,0,0|3,0,0]=4 2465 B11R0.180 CCCC(C)CSC[N+](C)(C)C 62a_200000036245_100011216630 [0,1,0,0,0,0|3,0,0]=4 2466 B11R0.180 CCCC(C)CSC[Si](C)(C)C 62a_100000037933_100011216630 [0,1,0,0,0,0|2,1,0]=4 2467 B11R0.180 CCCC(C)CSC[Si](C)(C)C 62a_100011216630_100000037933 [0,1,0,0,0,0|2,1,0]=4 2468 B11R0.180 CCCC(C)NCCC(C)(C)C 2230a_100000738805_100000766640 [0,1,0,0,0,0|2,0,0]=3 2469 B11R0.180 CCCC(C)NCCC(C)(C)C 2230a_100000741246_100000755188 [0,1,0,0,0,0|2,0,0]=3 2470 B11R0.180 CCCC(C)NCCC(C)(C)C 270004a_100000738805_100000211909 [0,1,0,0,0,0|2,0,0]=3 2471 B11R0.180 CCCC(C)NCCC(C)(C)F 2230a_100016253952_100000766640 [0,1,0,0,0,0|2,0,0]=3 2472 B11R0.180 CCCC(C)NCCC(C)(C)F 270004a_100016253952_100000211909 [0,1,0,0,0,0|2,0,0]=3 2473 B11R0.180 CCCC(C)NCCC(C)(C)O 2230a_100000741246_100000702414 [0,1,0,0,0,0|2,0,0]=3 2474 B11R0.180 CCCC(C)NCCC(C)(C)O 270004a_100000707701_100000211909 [0,1,0,0,0,0|2,0,0]=3 2475 B11R0.180 CCCC(C)NCC[N+](C)(C)C 270004a_100000106457_100000211909 [0,1,0,0,0,0|3,0,0]=4 2476 B11R0.180 CCCC(C)NCC[Si](C)(C)C 2230a_100000741246_200000733723 [0,1,0,0,0,0|2,1,0]=4 2477 B11R0.180 CCCC(C)OCCC(C)(C)C 34a_100000764384_100000755188 [0,1,0,0,0,0|2,0,0]=3 2478 B11R0.180 CCCC(C)OCCC(C)(C)C 7a_100000764384_100000755188 [0,1,0,0,0,0|2,0,0]=3 2479 B11R0.180 CCCC(C)OCCC(C)(C)C 7a_100000765024_100000766640 [0,1,0,0,0,0|2,0,0]=3 2480 B11R0.180 CCCC(C)OCCC(C)(C)O 34a_100000764384_100000702414 [0,1,0,0,0,0|2,0,0]=3 2481 B11R0.180 CCCC(C)OCCC(C)(C)O 7a_100000764384_100000702414 [0,1,0,0,0,0|2,0,0]=3 2482 B11R0.180 CCCC(C)OCC[N+](C)(C)C 34a_100000764384_100000085578 [0,1,0,0,0,0|3,0,0]=4 2483 B11R0.180 CCCC(C)OCC[N+](C)(C)C 7a_100000764384_100000085578 [0,1,0,0,0,0|3,0,0]=4 2484 B11R0.180 CCCC(C)OCC[N+](C)(C)C 7a_200020618287_100000766640 [0,1,0,0,0,0|3,0,0]=4 2485 B11R0.180 CCCC(C)OCC[Si](C)(C)C 34a_100000764384_200000733723 [0,1,0,0,0,0|2,1,0]=4 2486 B11R0.180 CCCC(C)OCC[Si](C)(C)C 7a_100000039746_100000766640 [0,1,0,0,0,0|2,1,0]=4 2487 B11R0.180 CCCC(C)OCC[Si](C)(C)C 7a_100000764384_200000733723 [0,1,0,0,0,0|2,1,0]=4 2488 B11R0.180 CCCC(C)SCCC(C)(C)C 62a_100000755188_100000766640 [0,1,0,0,0,0|2,0,0]=3 2489 B11R0.180 CCCC(C)SCCC(C)(C)C 62a_100000766640_100000755188 [0,1,0,0,0,0|2,0,0]=3 2490 B11R0.180 CCCC(C)SCCC(C)(C)O 62a_100000702414_100000766640 [0,1,0,0,0,0|2,0,0]=3 2491 B11R0.180 CCCC(C)SCCC(C)(C)O 62a_100000766640_100000702414 [0,1,0,0,0,0|2,0,0]=3 2492 B11R0.180 CCCC(C)SCC[N+](C)(C)C 62a_100000085578_100000766640 [0,1,0,0,0,0|3,0,0]=4 2493 B11R0.180 CCCC(C)SCC[N+](C)(C)C 62a_100000766640_100000085578 [0,1,0,0,0,0|3,0,0]=4 2494 B11R0.180 CCCC(C)SCC[Si](C)(C)C 62a_100000766640_200000733723 [0,1,0,0,0,0|2,1,0]=4 2495 B11R0.180 CCCC(C)SCC[Si](C)(C)C 62a_200000733723_100000766640 [0,1,0,0,0,0|2,1,0]=4 2496 B11R0.180 CCCN(C)CCCC(C)(C)O 2230a_100000747261_100009888830 [0,1,0,0,0,0|2,0,0]=3 2497 B11R0.180 CCCN(C)CCCC(C)(C)O 269982a_100000747261_100009888830 [0,1,0,0,0,0|2,0,0]=3 2498 B11R0.180 CCCN(C)CCC[N+](C)(C)C 2230a_100000747261_100016990835 [0,1,0,0,0,0|3,0,0]=4 2499 B11R0.180 CCCN(C)CCC[N+](C)(C)C 269982a_100000747261_100016990835 [0,1,0,0,0,0|3,0,0]=4 2500 B11R0.180 CCCN(C)CCC[Si](C)(C)C 2230a_100000747261_100011219597 [0,1,0,0,0,0|2,1,0]=4 2501 B11R0.180 CCCN(C)CCC[Si](C)(C)C 269982a_100000747261_100011219597 [0,1,0,0,0,0|2,1,0]=4 2502 B11R0.180 CCCN(C)CCOC(C)(C)C 2230a_100000690421_100000210303 [0,1,0,0,0,0|3,0,0]=4 2503 B11R0.180 CCCN(C)CCOC(C)(C)C 269982a_100000690421_100000210303 [0,1,0,0,0,0|3,0,0]=4 2504 B11R0.180 CCC[C@H](N)CCOC(C)(C)C 34a_100015193777_100000210625 [0,1,0,0,0,0|3,0,0]=4 2505 B11R0.180 CCC[C@H](N)COCC(C)(C)C 34a_100000732646_100011219605 [0,1,0,0,0,0|3,0,0]=4 2506 B11R0.180 CCC[C@H](N)COCC(C)(C)F 34a_100000732646_100011997219 [0,1,0,0,0,0|3,0,0]=4 2507 B11R0.180 CCC[C@H](N)COCC(C)(C)O 34a_100000732646_100000764493 [0,1,0,0,0,0|3,0,0]=4 2508 B11R0.180 CN(CC#N)CCCC(C)(C)O 2230a_100000748184_100009888830 [0,1,0,0,0,0|2,0,1]=4 2509 B11R0.180 CN(CCF)CCOC(C)(C)C 2230a_100000690421_100011217306 [0,1,0,0,0,0|3,0,0]=4 2510 B11R0.180 CN(CCF)CCOC(C)(C)C 269982a_100000690421_100011217306 [0,1,0,0,0,0|3,0,0]=4 2511 B11R0.180 CN(CCO)CCCC(C)(C)O 2230a_100000210263_100009888830 [0,1,0,0,0,0|1,0,0]=2 2512 B11R0.180 CN(CCO)CCCC(C)(C)O 269982a_100000210263_100009888830 [0,1,0,0,0,0|1,0,0]=2 2513 B11R0.180 CN(CCO)CCCC(F)(F)F 2230a_100000210263_100011215983 [0,1,0,0,0,0|3,0,0]=4 2514 B11R0.180 CN(CCO)CCCC(F)(F)F 269982a_100000210263_100011216173 [0,1,0,0,0,0|3,0,0]=4 2515 B11R0.180 CN(CCO)CCCS(=O)(=O)C 2230a_100000210263_100000754308 [0,1,0,0,0,0|3,0,0]=4 2516 B11R0.180 CN(CCO)CCCS(=O)(=O)C 269982a_100000210263_100000754308 [0,1,0,0,0,0|3,0,0]=4 2517 B11R0.180 CN(CCO)CCC[N+](C)(C)C 2230a_100000210263_100016990835 [0,1,0,0,0,0|2,0,0]=3 2518 B11R0.180 CN(CCO)CCC[N+](C)(C)C 269982a_100000210263_100016990835 [0,1,0,0,0,0|2,0,0]=3 2519 B11R0.180 CN(CCO)CCC[Si](C)(C)C 2230a_100000210263_100011219597 [0,1,0,0,0,0|1,1,0]=3 2520 B11R0.180 CN(CCO)CCC[Si](C)(C)C 269982a_100000210263_100011219597 [0,1,0,0,0,0|1,1,0]=3 2521 B11R0.180 CN(CCO)CCOC(C)(C)C 2230a_100000690421_100000211926 [0,1,0,0,0,0|2,0,0]=3 2522 B11R0.180 CN(CCO)CCOC(C)(C)C 269982a_100000690421_100000211926 [0,1,0,0,0,0|2,0,0]=3 2523 B11R0.180 CN(CCO)CCO[Si](C)(C)C 2230a_100000210263_200000032530 [0,1,0,0,0,0|2,1,0]=4 2524 B11R0.180 COCC(C)NCCC(C)(C)C 2230a_100000738805_100000765312 [0,1,0,0,0,0|3,0,0]=4 2525 B11R0.180 COCC(C)NCCC(C)(C)C 270004a_100000738805_100000749346 [0,1,0,0,0,0|3,0,0]=4 2526 B11R0.180 COCC(C)NCCC(C)(C)F 2230a_100016253952_100000765312 [0,1,0,0,0,0|3,0,0]=4 2527 B11R0.180 COCC(C)NCCC(C)(C)F 270004a_100016253952_100000749346 [0,1,0,0,0,0|3,0,0]=4 2528 B11R0.180 COCC(C)NCCC(C)(C)O 270004a_100000707701_100000749346 [0,1,0,0,0,0|3,0,0]=4 2529 B11R0.180 COCC(C)OCCC(C)(C)C 7a_100000765024_100000765312 [0,1,0,0,0,0|3,0,0]=4 2530 B11R0.180 COCC(C)SCCC(C)(C)C 62a_100000755188_100000765312 [0,1,0,0,0,0|3,0,0]=4 2531 B11R0.180 COCC(C)SCCC(C)(C)C 62a_100000765312_100000755188 [0,1,0,0,0,0|3,0,0]=4 2532 B11R0.180 COCC(C)SCCC(C)(C)O 62a_100000702414_100000765312 [0,1,0,0,0,0|3,0,0]=4 2533 B11R0.180 COCC(C)SCCC(C)(C)O 62a_100000765312_100000702414 [0,1,0,0,0,0|3,0,0]=4 2534 B11R0.180 COC[C@@H](C)NCCC(C)(C)C 2230a_100000764878_100000755188 [0,1,0,0,0,0|3,0,0]=4 2535 B11R0.180 COC[C@@H](C)NCCC(C)(C)O 2230a_100000764878_100000702414 [0,1,0,0,0,0|3,0,0]=4 2536 B11R0.180 COC[C@@H](C)OCCC(C)(C)C 34a_100011934205_100000755188 [0,1,0,0,0,0|3,0,0]=4 2537 B11R0.180 COC[C@@H](C)OCCC(C)(C)O 34a_100011934205_100000702414 [0,1,0,0,0,0|3,0,0]=4 2538 B11R0.180 CSCC(C)NCCC(C)(C)C 270004a_100000738805_100011216314 [0,1,0,0,0,0|3,0,0]=4 2539 B11R0.180 CSCC(C)NCCC(C)(C)F 270004a_100016253952_100011216314 [0,1,0,0,0,0|3,0,0]=4 2540 B11R0.180 CSCC(C)NCCC(C)(C)O 270004a_100000707701_100011216314 [0,1,0,0,0,0|3,0,0]=4 2541 B11R0.180 C[C@@H](CC#N)NCCC(C)(C)C 2230a_100016994482_100000755188 [0,1,0,0,0,0|2,0,1]=4 2542 B11R0.180 C[C@@H](CC#N)NCCC(C)(C)O 2230a_100016994482_100000702414 [0,1,0,0,0,0|2,0,1]=4 2543 B11R0.180 C[C@H](CCO)NCCC(C)(C)C 2230a_100000706166_100000755188 [0,1,0,0,0,0|1,0,0]=2 2544 B11R0.180 C[C@H](CCO)NCCC(C)(C)C 34a_100000706166_100000755188 [0,1,0,0,0,0|1,0,0]=2 2545 B11R0.180 C[C@H](CCO)NCCC(C)(C)O 2230a_100000706166_100000702414 [0,1,0,0,0,0|1,0,0]=2 2546 B11R0.180 C[C@H](CCO)NCCC(C)(C)O 34a_100000706166_100000702414 [0,1,0,0,0,0|1,0,0]=2 2547 B11R0.180 C[C@H](CCO)NCCC(F)(F)F 34a_100000706166_100011219754 [0,1,0,0,0,0|3,0,0]=4 2548 B11R0.180 C[C@H](CCO)NCCS(=O)(=O)C 2230a_100000706166_100000731031 [0,1,0,0,0,0|3,0,0]=4 2549 B11R0.180 C[C@H](CCO)NCCS(=O)(=O)C 34a_100000706166_100000731031 [0,1,0,0,0,0|3,0,0]=4 2550 B11R0.180 C[C@H](CCO)NCC[N+](C)(C)C 34a_100000706166_100000085578 [0,1,0,0,0,0|2,0,0]=3 2551 B11R0.180 C[C@H](CCO)NCC[Si](C)(C)C 2230a_100000706166_200000733723 [0,1,0,0,0,0|1,1,0]=3 2552 B11R0.180 C[C@H](CCO)NCC[Si](C)(C)C 34a_100000706166_200000733723 [0,1,0,0,0,0|1,1,0]=3 2553 B11R0.180 C[N+](C)(C)CCCC(=O)CCO 1458a_100000085584_100000211926 [0,1,0,0,0,0|2,0,1]=4 2554 B11R0.180 C[N+](C)(C)CCCC(=O)CCO 1458a_100011216618_100016990835 [0,1,0,0,0,0|2,0,1]=4 2555 B11R0.180 C[Si](C)(C)CCCC(=O)CCO 1458a_100011216618_100011219597 [0,1,0,0,0,0|1,1,1]=4 2556 B11R1.15 C#CCN(C)C1CCC(C1)C 270004a_100000225692_100011215218 [0,0,0,1,0,0|2,0,1]=4 2557 B11R1.15 C=CCN(C)C1CCC(C1)C 270004a_100000225617_100011215218 [0,0,0,1,0,0|2,0,1]=4 2558 B11R1.15 CC(CC#N)N1CC[C@H](C1)C 2230a_100016987628_100009813641 [0,0,0,1,0,0|2,0,1]=4 2559 B11R1.15 CC(CC#N)N1CC[C@H](C1)C 269982a_100016987628_100009813641 [0,0,0,1,0,0|2,0,1]=4 2560 B11R1.15 CC(CCO)N1CCC(C1)O 2230a_100011215560_100009893172 [0,0,0,1,0,0|2,0,0]=3 2561 B11R1.15 CC(CCO)N1CCC(C1)O 269982a_100011215560_100009893172 [0,0,0,1,0,0|2,0,0]=3 2562 B11R1.15 CC(CCO)N1CC[C@@H](C1)F 2230a_100015203821_100009893172 [0,0,0,1,0,0|2,0,0]=3 2563 B11R1.15 CC(CCO)N1CC[C@@H](C1)F 269982a_100015203821_100009893172 [0,0,0,1,0,0|2,0,0]=3 2564 B11R1.15 CC(CCO)N1CC[C@@H](C1)F 34a_100015203821_100009893172 [0,0,0,1,0,0|2,0,0]=3 2565 B11R1.15 CC(CCO)N1CC[C@H](C1)C 2230a_100016987628_100009893172 [0,0,0,1,0,0|1,0,0]=2 2566 B11R1.15 CC(CCO)N1CC[C@H](C1)C 269982a_100016987628_100009893172 [0,0,0,1,0,0|1,0,0]=2 2567 B11R1.15 CC(CCO)N1CC[C@H](C1)C 34a_100016987628_100009893172 [0,0,0,1,0,0|1,0,0]=2 2568 B11R1.15 CC1CCC(C1)N(C)CCO 270004a_100000210263_100011215218 [0,0,0,1,0,0|1,0,0]=2 2569 B11R1.15 CCCC(C)N1CCC(C1)O 2230a_100011215560_100000766640 [0,0,0,1,0,0|3,0,0]=4 2570 B11R1.15 CCCC(C)N1CCC(C1)O 269982a_100011215560_100000766640 [0,0,0,1,0,0|3,0,0]=4 2571 B11R1.15 CCCC(C)N1CCC(C1)O 270004a_100011215560_100000211909 [0,0,0,1,0,0|3,0,0]=4 2572 B11R1.15 CCCC(C)N1CC[C@@H](C1)F 2230a_100015203821_100000766640 [0,0,0,1,0,0|3,0,0]=4 2573 B11R1.15 CCCC(C)N1CC[C@@H](C1)F 269982a_100015203821_100000766640 [0,0,0,1,0,0|3,0,0]=4 2574 B11R1.15 CCCC(C)N1CC[C@@H](C1)F 270004a_100015203821_100000211909 [0,0,0,1,0,0|3,0,0]=4 2575 B11R1.15 CCCC(C)N1CC[C@@H](C1)F 34a_100015203821_100000766640 [0,0,0,1,0,0|3,0,0]=4 2576 B11R1.15 CCCC(C)N1CC[C@H](C1)C 2230a_100016987628_100000766640 [0,0,0,1,0,0|2,0,0]=3 2577 B11R1.15 CCCC(C)N1CC[C@H](C1)C 269982a_100016987628_100000766640 [0,0,0,1,0,0|2,0,0]=3 2578 B11R1.15 CCCC(C)N1CC[C@H](C1)C 270004a_100016987628_100000211909 [0,0,0,1,0,0|2,0,0]=3 2579 B11R1.15 CCCC(C)N1CC[C@H](C1)C 34a_100016987628_100000766640 [0,0,0,1,0,0|2,0,0]=3 2580 B11R1.15 CCCN(C)C1CCC(C1)C 270004a_100000747261_100011215218 [0,0,0,1,0,0|2,0,0]=3 2581 B11R1.15 CCCN(C)C1CCC(C1)O 270004a_100000747261_100012614533 [0,0,0,1,0,0|3,0,0]=4 2582 B11R1.15 CCCN(C)C1CCN(C1)C 2230a_103436538152_100000210303 [0,0,0,1,0,0|3,0,0]=4 2583 B11R1.15 CCCN(C)C1CCN(C1)C 269982a_100000747261_200012183744 [0,0,0,1,0,0|3,0,0]=4 2584 B11R1.15 CCCN(C)C1CCN(C1)C 269982a_103436538152_100000210303 [0,0,0,1,0,0|3,0,0]=4 2585 B11R1.15 CN(CCO)C1CCC(C1)O 270004a_100000210263_100012614533 [0,0,0,1,0,0|2,0,0]=3 2586 B11R1.15 CN1CCC(C1)C(=O)CCO 1458a_100000739633_100000211926 [0,0,0,1,0,0|2,0,1]=4 2587 B11R1.15 CN1CCC(C1)N(C)CCF 2230a_103436538152_100011217306 [0,0,0,1,0,0|3,0,0]=4 2588 B11R1.15 CN1CCC(C1)N(C)CCF 269982a_103436538152_100011217306 [0,0,0,1,0,0|3,0,0]=4 2589 B11R1.15 CN1CCC(C1)N(C)CCO 2230a_103436538152_100000211926 [0,0,0,1,0,0|2,0,0]=3 2590 B11R1.15 CN1CCC(C1)N(C)CCO 269982a_100000210263_200012183744 [0,0,0,1,0,0|2,0,0]=3 2591 B11R1.15 CN1CCC(C1)N(C)CCO 269982a_103436538152_100000211926 [0,0,0,1,0,0|2,0,0]=3 2592 B11R1.15 COCC(C)N1CC[C@H](C1)C 2230a_100016987628_100000765312 [0,0,0,1,0,0|3,0,0]=4 2593 B11R1.15 COCC(C)N1CC[C@H](C1)C 269982a_100016987628_100000765312 [0,0,0,1,0,0|3,0,0]=4 2594 B11R1.15 COCC(C)N1CC[C@H](C1)C 270004a_100016987628_100000749346 [0,0,0,1,0,0|3,0,0]=4 2595 B11R1.15 COCC(C)N1CC[C@H](C1)C 34a_100016987628_100000765312 [0,0,0,1,0,0|3,0,0]=4 2596 B11R1.15 CSCC(C)N1CC[C@H](C1)C 270004a_100016987628_100011216314 [0,0,0,1,0,0|3,0,0]=4 2597 B11R1.15 C[C@@H]1CCN(C1)C(=O)CCO 240690a_100016987628_100011216618 [0,0,0,1,0,0|2,0,1]=4 2598 B11R1.15 O=C(CCO)C1CCC(C1)O 1458a_100000688591_100000211926 [0,0,0,1,0,0|2,0,1]=4 2599 B11R1.90 CC(C)CCN1CCC[C@@H]1C 2230a_100020605311_100000210312 [0,0,0,1,0,0|2,0,0]=3 2600 B11R1.90 CC(C)CCN1CCC[C@@H]1C 269982a_100020605311_100000210312 [0,0,0,1,0,0|2,0,0]=3 2601 B11R1.90 CC(C)CCN1CCC[C@H]1C 2230a_100015189458_100000210312 [0,0,0,1,0,0|2,0,0]=3 2602 B11R1.90 CC(C)CCN1CCC[C@H]1C 269982a_100015189458_100000210312 [0,0,0,1,0,0|2,0,0]=3 2603 B11R1.90 CC(C)CCN1CCC[C@H]1C 34a_100015189458_100000210312 [0,0,0,1,0,0|2,0,0]=3 2604 B11R1.90 CC(C)CCN1CCSC1C 2230a_200011216479_100000210312 [0,0,0,1,0,0|3,0,0]=4 2605 B11R1.90 CC(C)CCN1CCSC1C 269982a_200011216479_100000210312 [0,0,0,1,0,0|3,0,0]=4 2606 B11R1.90 CC(C)CCN1CCSC1C 34a_200011216479_100000210312 [0,0,0,1,0,0|3,0,0]=4 2607 B11R1.90 CC(C)CNC1CCCC1C 269862a_100000210953_100000752053 [0,0,0,1,0,0|2,0,0]=3 2608 B11R1.90 CC(C)CNC1CCOC1C 270004a_100000210953_100000691750 [0,0,0,1,0,0|3,0,0]=4 2609 B11R1.90 CC(C)CN[C@H]1CCC[C@@H]1O 270004a_100000748460_100000210432 [0,0,0,1,0,0|3,0,0]=4 2610 B11R1.90 CC(C)COC1CCCC1C 34a_100011216460_100000210624 [0,0,0,1,0,0|2,0,0]=3 2611 B11R1.90 CC(C)COC1CCCC1C 7a_100011216460_100000210760 [0,0,0,1,0,0|2,0,0]=3 2612 B11R1.90 CC(C)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210624 [0,0,0,1,0,0|3,0,0]=4 2613 B11R1.90 CC(C)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210624 [0,0,0,1,0,0|3,0,0]=4 2614 B11R1.90 CC(C)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000210624 [0,0,0,1,0,0|3,0,0]=4 2615 B11R1.90 CC(C)CS[C@@H]1CCC[C@H]1O 62a_100000210624_200016002552 [0,0,0,1,0,0|3,0,0]=4 2616 B11R1.90 CC(C)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210760 [0,0,0,1,0,0|3,0,0]=4 2617 B11R1.90 CC(C)OCC1CCCN1C 34a_100000743107_100000210206 [0,0,0,1,0,0|3,0,0]=4 2618 B11R1.90 CC(C)OCN1CCC[C@@H]1C 2230a_100020605311_100000709892 [0,0,0,1,0,0|3,0,0]=4 2619 B11R1.90 CC(C)OCN1CCC[C@@H]1C 269982a_100020605311_100000709892 [0,0,0,1,0,0|3,0,0]=4 2620 B11R1.90 CC(C)OCN1CCC[C@H]1C 2230a_100015189458_100000709892 [0,0,0,1,0,0|3,0,0]=4 2621 B11R1.90 CC(C)OCN1CCC[C@H]1C 269982a_100015189458_100000709892 [0,0,0,1,0,0|3,0,0]=4 2622 B11R1.90 CC(C)OCN1CCC[C@H]1C 34a_100015189458_100000709892 [0,0,0,1,0,0|3,0,0]=4 2623 B11R1.90 CC(O)CCN1CCC[C@@H]1C 2230a_100020605311_100012276601 [0,0,0,1,0,0|3,0,0]=4 2624 B11R1.90 CC(O)CCN1CCC[C@@H]1C 269982a_100020605311_100012276601 [0,0,0,1,0,0|3,0,0]=4 2625 B11R1.90 CC(O)CCN1CCC[C@H]1C 2230a_100015189458_100012276601 [0,0,0,1,0,0|3,0,0]=4 2626 B11R1.90 CC(O)CCN1CCC[C@H]1C 269982a_100015189458_100012276601 [0,0,0,1,0,0|3,0,0]=4 2627 B11R1.90 CC(O)CCN1CCC[C@H]1C 34a_100015189458_100012276601 [0,0,0,1,0,0|3,0,0]=4 2628 B11R1.90 CC(O)CNC1CCCC1C 269862a_100000210904_100000752053 [0,0,0,1,0,0|3,0,0]=4 2629 B11R1.90 CC(O)COC1CCCC1C 34a_100011216460_100011218427 [0,0,0,1,0,0|3,0,0]=4 2630 B11R1.90 CC(O)COC1CCCC1C 7a_100011216460_100011218427 [0,0,0,1,0,0|3,0,0]=4 2631 B11R1.90 CC1CCCC1OC[C@@H](C)O 34a_100011216460_100009817552 [0,0,0,1,0,0|3,0,0]=4 2632 B11R1.90 CC1CCCC1OC[C@@H](C)O 7a_100011216460_100009817552 [0,0,0,1,0,0|3,0,0]=4 2633 B11R1.90 CN(C)CCC1CCCN1C 2230a_100102631434_100000005710 [0,0,0,1,0,0|3,0,0]=4 2634 B11R1.90 CN(C)CCC1CCCN1C 269982a_100102631434_100000005710 [0,0,0,1,0,0|3,0,0]=4 2635 B11R1.90 C[C@@H]1CCCN1CCN(C)C 269982a_100015189458_100000755713 [0,0,0,1,0,0|3,0,0]=4 2636 B11R1.90 C[C@H]1CCCN1CCN(C)C 269982a_100020605311_100000755713 [0,0,0,1,0,0|3,0,0]=4 2637 B11R1.120 C#CCN1CC(C1)CC(C)C 2230a_214813039686_100000038162 [0,0,0,1,0,0|2,0,1]=4 2638 B11R1.120 C#CCN1CC(C1)CC(C)C 34a_214813039686_100000184674 [0,0,0,1,0,0|2,0,1]=4 2639 B11R1.120 C=CCN1CC(C1)CC(C)C 2230a_214813039686_100000210623 [0,0,0,1,0,0|2,0,1]=4 2640 B11R1.120 C=CCN1CC(C1)CC(C)C 269982a_214813039686_100000210623 [0,0,0,1,0,0|2,0,1]=4 2641 B11R1.120 C=CCN1CC(C1)CC(C)C 34a_214813039686_100015514636 [0,0,0,1,0,0|2,0,1]=4 2642 B11R1.120 CC(C)CC1CN(C1)CC#N 2230a_214813039686_100011215382 [0,0,0,1,0,0|2,0,1]=4 2643 B11R1.120 CC(C)CC1CN(C1)CC#N 269982a_214813039686_100011214920 [0,0,0,1,0,0|2,0,1]=4 2644 B11R1.120 CC(C)CC1CN(C1)CC=O 2230a_214813039686_200015260668 [0,0,0,1,0,0|1,0,2]=4 2645 B11R1.120 CC(C)CC1CN(C1)CC=O 269982a_214813039686_200015260668 [0,0,0,1,0,0|1,0,2]=4 2646 B11R1.120 CC(C)CC1CN(C1)CC=O 34a_214813039686_200009817547 [0,0,0,1,0,0|1,0,2]=4 2647 B11R1.120 CC(C)CC1CN(C1)CCF 2230a_214813039686_100011217306 [0,0,0,1,0,0|2,0,0]=3 2648 B11R1.120 CC(C)CC1CN(C1)CCF 269982a_214813039686_100011217306 [0,0,0,1,0,0|2,0,0]=3 2649 B11R1.120 CC(C)CC1CN(C1)CCF 34a_214813039686_100011217306 [0,0,0,1,0,0|2,0,0]=3 2650 B11R1.120 CC(C)CC1CN(C1)CCO 2230a_214813039686_100000211926 [0,0,0,1,0,0|1,0,0]=2 2651 B11R1.120 CC(C)CC1CN(C1)CCO 269982a_214813039686_100000211926 [0,0,0,1,0,0|1,0,0]=2 2652 B11R1.120 CC(C)CC1CN(C1)CCO 34a_214813039686_100000211926 [0,0,0,1,0,0|1,0,0]=2 2653 B11R1.120 CC(C)CN1CC(C1)CC#N 269982a_206645079572_100000210624 [0,0,0,1,0,0|2,0,1]=4 2654 B11R1.120 CC(C)CN1CC(C1)CC#N 270004a_206645079572_100000210432 [0,0,0,1,0,0|2,0,1]=4 2655 B11R1.120 CC(C)OC1CN(C1)CCF 2230a_100000698322_100011217306 [0,0,0,1,0,0|3,0,0]=4 2656 B11R1.120 CC(C)OC1CN(C1)CCF 269982a_100000698322_100011217306 [0,0,0,1,0,0|3,0,0]=4 2657 B11R1.120 CC(C)OC1CN(C1)CCF 34a_100000698322_100011217306 [0,0,0,1,0,0|3,0,0]=4 2658 B11R1.120 CC(C)OC1CN(C1)CCO 2230a_100000698322_100000211926 [0,0,0,1,0,0|2,0,0]=3 2659 B11R1.120 CC(C)OC1CN(C1)CCO 269982a_100000698322_100000211926 [0,0,0,1,0,0|2,0,0]=3 2660 B11R1.120 CC(C)OC1CN(C1)CCO 34a_100000698322_100000211926 [0,0,0,1,0,0|2,0,0]=3 2661 B11R1.120 CCCN1CC(C1)CC(C)C 2230a_214813039686_100000210303 [0,0,0,1,0,0|2,0,0]=3 2662 B11R1.120 CCCN1CC(C1)CC(C)C 269982a_214813039686_100000210303 [0,0,0,1,0,0|2,0,0]=3 2663 B11R1.120 CCCN1CC(C1)CC(C)C 34a_214813039686_100000210303 [0,0,0,1,0,0|2,0,0]=3 2664 B11R1.120 CCCN1CC(C1)CN(C)C 269982a_100015199603_100000210303 [0,0,0,1,0,0|3,0,0]=4 2665 B11R1.120 CCCN1CC(C1)OC(C)C 2230a_100000698322_100000210303 [0,0,0,1,0,0|3,0,0]=4 2666 B11R1.120 CCCN1CC(C1)OC(C)C 269982a_100000698322_100000210303 [0,0,0,1,0,0|3,0,0]=4 2667 B11R1.120 CCCN1CC(C1)OC(C)C 34a_100000698322_100000210303 [0,0,0,1,0,0|3,0,0]=4 2668 B11R1.120 CCOC1CN(C1)CC(C)C 269982a_100000732654_100000210624 [0,0,0,1,0,0|3,0,0]=4 2669 B11R1.120 CCOC1CN(C1)CC(C)C 270004a_100000732654_100000210432 [0,0,0,1,0,0|3,0,0]=4 2670 B11R1.120 CCOC1CN(C1)CC(C)C 34a_100000732654_100000210624 [0,0,0,1,0,0|3,0,0]=4 2671 B11R1.120 CN(C)CC1CN(C1)CCF 269982a_100015199603_100011217306 [0,0,0,1,0,0|3,0,0]=4 2672 B11R1.120 CN(C)CC1CN(C1)CCO 269982a_100015199603_100000211926 [0,0,0,1,0,0|2,0,0]=3 2673 B11R1.120 COCC1CC(C1)NC(C)C 2230a_100012180050_100000210206 [0,0,0,1,0,0|3,0,0]=4 2674 B11R1.120 COCC1CN(C1)CC(C)C 2230a_100016993750_100000210760 [0,0,0,1,0,0|3,0,0]=4 2675 B11R1.120 COCC1CN(C1)CC(C)C 269982a_100016993750_100000210624 [0,0,0,1,0,0|3,0,0]=4 2676 B11R1.120 COCC1CN(C1)CC(C)C 270004a_100016993750_100000210432 [0,0,0,1,0,0|3,0,0]=4 2677 B11R1.120 COCC1CN(C1)CC(C)C 34a_100016993750_100000210624 [0,0,0,1,0,0|3,0,0]=4 2678 B11R1.120 COCN1CC(C1)CC(C)C 2230a_214813039686_100000766300 [0,0,0,1,0,0|3,0,0]=4 2679 B11R1.120 COCN1CC(C1)CC(C)C 269982a_214813039686_100000766300 [0,0,0,1,0,0|3,0,0]=4 2680 B11R1.120 CSCN1CC(C1)CC(C)C 2230a_214813039686_100011218213 [0,0,0,1,0,0|3,0,0]=4 2681 B11R1.120 CSCN1CC(C1)CC(C)C 269982a_214813039686_100011218213 [0,0,0,1,0,0|3,0,0]=4 2682 B11R1.120 CSCN1CC(C1)CC(C)C 34a_214813039686_100011218213 [0,0,0,1,0,0|3,0,0]=4 2683 B11R1.124 CC(=O)N1CCC(C1)CCO 240690a_100016987287_100015343762 [0,0,0,1,0,0|2,0,1]=4 2684 B11R1.124 CC(=O)N1CCC(C1)CCO 527a_100016987287_100103153847 [0,0,0,1,0,0|2,0,1]=4 2685 B11R1.124 CC(C)N1CCC(C1)CCO 2230a_100016987287_100000210206 [0,0,0,1,0,0|1,0,0]=2 2686 B11R1.124 CC(C)N1CCC(C1)CCO 269982a_100016987287_100000210206 [0,0,0,1,0,0|1,0,0]=2 2687 B11R1.124 CC(C)N1CCC(C1)CCO 34a_100016987287_100000210206 [0,0,0,1,0,0|1,0,0]=2 2688 B11R1.124 CC(C)N1CCC(C1)CN[13CH3] 2230a_100000743801_200025704644 [0,0,0,1,0,0|3,0,0]=4 2689 B11R1.124 CC(C)N1CCC(C1)CN[13CH3] 34a_100000743801_200025704644 [0,0,0,1,0,0|3,0,0]=4 2690 B11R1.124 CC(C)N1CCC(C1)CO[13CH3] 34a_200011652538_200025704644 [0,0,0,1,0,0|3,0,0]=4 2691 B11R1.124 CC(C)N1CCC(C1)CO[13CH3] 7a_200011652538_200025704644 [0,0,0,1,0,0|3,0,0]=4 2692 B11R1.124 CC(C)N1CCC(C1)CS[13CH3] 62a_100015187125_200025704644 [0,0,0,1,0,0|3,0,0]=4 2693 B11R1.124 CC(C)N1CCC(C1)CS[13CH3] 62a_200025704644_100015187125 [0,0,0,1,0,0|3,0,0]=4 2694 B11R1.124 CCCC1CCC(C1)N(C)C 270004a_100102631434_200012087856 [0,0,0,1,0,0|2,0,0]=3 2695 B11R1.124 CCCN1CC[C@@H](C1)N(C)C 2230a_100016988096_100000210303 [0,0,0,1,0,0|3,0,0]=4 2696 B11R1.124 CCCN1CC[C@@H](C1)N(C)C 269982a_100016988096_100000210303 [0,0,0,1,0,0|3,0,0]=4 2697 B11R1.124 CCNC1CCN(C1)C(C)C 2230a_100000746141_100000210202 [0,0,0,1,0,0|3,0,0]=4 2698 B11R1.124 CCO[C@H]1CCN(C1)C(C)C 2230a_100011787710_100000210206 [0,0,0,1,0,0|3,0,0]=4 2699 B11R1.124 CCO[C@H]1CCN(C1)C(C)C 269982a_100011787710_100000210206 [0,0,0,1,0,0|3,0,0]=4 2700 B11R1.124 CCO[C@H]1CCN(C1)C(C)C 34a_100011787710_100000210206 [0,0,0,1,0,0|3,0,0]=4 2701 B11R1.124 CN(C)[C@H]1CCN(C1)CCF 2230a_100016988096_100011217306 [0,0,0,1,0,0|3,0,0]=4 2702 B11R1.124 CN(C)[C@H]1CCN(C1)CCF 269982a_100016988096_100011217306 [0,0,0,1,0,0|3,0,0]=4 2703 B11R1.124 CN(C)[C@H]1CCN(C1)CCO 2230a_100016988096_100000211926 [0,0,0,1,0,0|2,0,0]=3 2704 B11R1.124 CN(C)[C@H]1CCN(C1)CCO 269982a_100016988096_100000211926 [0,0,0,1,0,0|2,0,0]=3 2705 B11R1.124 CNCC1CCN(C1)C(C)C 2230a_100000743801_200000210301 [0,0,0,1,0,0|3,0,0]=4 2706 B11R1.124 CNCC1CCN(C1)C(C)C 2230a_106832991635_100015187125 [0,0,0,1,0,0|3,0,0]=4 2707 B11R1.124 CNCC1CCN(C1)C(C)C 34a_100000743801_200000210301 [0,0,0,1,0,0|3,0,0]=4 2708 B11R1.124 CNCC1CCN(C1)C(C)C 34a_100102657272_100015187125 [0,0,0,1,0,0|3,0,0]=4 2709 B11R1.124 COCC1CCN(C1)C(C)C 2230a_100025706693_100000210206 [0,0,0,1,0,0|3,0,0]=4 2710 B11R1.124 COCC1CCN(C1)C(C)C 269982a_100025706693_100000210206 [0,0,0,1,0,0|3,0,0]=4 2711 B11R1.124 COCC1CCN(C1)C(C)C 34a_100025706693_100000210206 [0,0,0,1,0,0|3,0,0]=4 2712 B11R1.124 COCC1CCN(C1)C(C)C 34a_100138415774_100015187125 [0,0,0,1,0,0|3,0,0]=4 2713 B11R1.124 COCC1CCN(C1)C(C)C 34a_200011652538_200000210301 [0,0,0,1,0,0|3,0,0]=4 2714 B11R1.124 COCC1CCN(C1)C(C)C 7a_200011652538_200000210301 [0,0,0,1,0,0|3,0,0]=4 2715 B11R1.124 CSCC1CCN(C1)C(C)C 62a_100015187125_200000210301 [0,0,0,1,0,0|3,0,0]=4 2716 B11R1.124 CSCC1CCN(C1)C(C)C 62a_200000210301_100015187125 [0,0,0,1,0,0|3,0,0]=4 2717 B11R1.135 C#CCN1CCCC(CC1)C 2230a_100025706717_100000038162 [0,0,0,1,0,0|2,0,1]=4 2718 B11R1.135 C#CCN1CCCC(CC1)C 34a_100025706717_100000184674 [0,0,0,1,0,0|2,0,1]=4 2719 B11R1.135 C=CCN1CCCC(CC1)C 2230a_100025706717_100000210623 [0,0,0,1,0,0|2,0,1]=4 2720 B11R1.135 C=CCN1CCCC(CC1)C 269982a_100025706717_100000210623 [0,0,0,1,0,0|2,0,1]=4 2721 B11R1.135 C=CCN1CCCC(CC1)C 34a_100025706717_100015514636 [0,0,0,1,0,0|2,0,1]=4 2722 B11R1.135 CC1CCCN(CC1)CC#N 2230a_100025706717_100011215382 [0,0,0,1,0,0|2,0,1]=4 2723 B11R1.135 CC1CCCN(CC1)CC#N 269982a_100025706717_100011214920 [0,0,0,1,0,0|2,0,1]=4 2724 B11R1.135 CC1CCCN(CC1)CC=O 2230a_100025706717_200015260668 [0,0,0,1,0,0|1,0,2]=4 2725 B11R1.135 CC1CCCN(CC1)CC=O 269982a_100025706717_200015260668 [0,0,0,1,0,0|1,0,2]=4 2726 B11R1.135 CC1CCCN(CC1)CC=O 34a_100025706717_200009817547 [0,0,0,1,0,0|1,0,2]=4 2727 B11R1.135 CC1CCCN(CC1)CCF 2230a_100025706717_100011217306 [0,0,0,1,0,0|2,0,0]=3 2728 B11R1.135 CC1CCCN(CC1)CCF 269982a_100025706717_100011217306 [0,0,0,1,0,0|2,0,0]=3 2729 B11R1.135 CC1CCCN(CC1)CCF 34a_100025706717_100011217306 [0,0,0,1,0,0|2,0,0]=3 2730 B11R1.135 CC1CCCN(CC1)CCO 2230a_100025706717_100000211926 [0,0,0,1,0,0|1,0,0]=2 2731 B11R1.135 CC1CCCN(CC1)CCO 269982a_100025706717_100000211926 [0,0,0,1,0,0|1,0,0]=2 2732 B11R1.135 CC1CCCN(CC1)CCO 34a_100025706717_100000211926 [0,0,0,1,0,0|1,0,0]=2 2733 B11R1.135 CCCN1CCCC(CC1)C 2230a_100025706717_100000210303 [0,0,0,1,0,0|2,0,0]=3 2734 B11R1.135 CCCN1CCCC(CC1)C 269982a_100025706717_100000210303 [0,0,0,1,0,0|2,0,0]=3 2735 B11R1.135 CCCN1CCCC(CC1)C 34a_100025706717_100000210303 [0,0,0,1,0,0|2,0,0]=3 2736 B11R1.135 CCCN1CCCC(CC1)O 2230a_100015186869_100000210303 [0,0,0,1,0,0|3,0,0]=4 2737 B11R1.135 CCCN1CCCC(CC1)O 269982a_100015186869_100000210303 [0,0,0,1,0,0|3,0,0]=4 2738 B11R1.135 CCCN1CCCN(CC1)C 2230a_100000211313_100000210303 [0,0,0,1,0,0|3,0,0]=4 2739 B11R1.135 CCCN1CCCN(CC1)C 2230a_100000748530_200000210301 [0,0,0,1,0,0|3,0,0]=4 2740 B11R1.135 CCCN1CCCN(CC1)C 269982a_100000211313_100000210303 [0,0,0,1,0,0|3,0,0]=4 2741 B11R1.135 CCCN1CCCN(CC1)C 269982a_100000748530_200000210301 [0,0,0,1,0,0|3,0,0]=4 2742 B11R1.135 CCCN1CCCN(CC1)[13CH3] 2230a_100000748530_200025704644 [0,0,0,1,0,0|3,0,0]=4 2743 B11R1.135 CCCN1CCCN(CC1)[13CH3] 269982a_100000748530_200025704644 [0,0,0,1,0,0|3,0,0]=4 2744 B11R1.135 CN1CCCN(CC1)CCF 2230a_100000211313_100011217306 [0,0,0,1,0,0|3,0,0]=4 2745 B11R1.135 CN1CCCN(CC1)CCF 269982a_100000211313_100011217306 [0,0,0,1,0,0|3,0,0]=4 2746 B11R1.135 CN1CCCN(CC1)CCO 2230a_100000211313_100000211926 [0,0,0,1,0,0|2,0,0]=3 2747 B11R1.135 CN1CCCN(CC1)CCO 269982a_100000211313_100000211926 [0,0,0,1,0,0|2,0,0]=3 2748 B11R1.135 CN1CCCN(CC1)CCO 269982a_100000752306_200000210301 [0,0,0,1,0,0|2,0,0]=3 2749 B11R1.135 COCN1CCCC(CC1)C 2230a_100025706717_100000766300 [0,0,0,1,0,0|3,0,0]=4 2750 B11R1.135 COCN1CCCC(CC1)C 269982a_100025706717_100000766300 [0,0,0,1,0,0|3,0,0]=4 2751 B11R1.135 CSCN1CCCC(CC1)C 2230a_100025706717_100011218213 [0,0,0,1,0,0|3,0,0]=4 2752 B11R1.135 CSCN1CCCC(CC1)C 269982a_100025706717_100011218213 [0,0,0,1,0,0|3,0,0]=4 2753 B11R1.135 CSCN1CCCC(CC1)C 34a_100025706717_100011218213 [0,0,0,1,0,0|3,0,0]=4 2754 B11R1.135 OC1CCCN(CC1)CCF 2230a_100015186869_100011217306 [0,0,0,1,0,0|3,0,0]=4 2755 B11R1.135 OC1CCCN(CC1)CCF 269982a_100015186869_100011217306 [0,0,0,1,0,0|3,0,0]=4 2756 B11R1.135 OCCN1CCCC(CC1)O 2230a_100015186869_100000211926 [0,0,0,1,0,0|2,0,0]=3 2757 B11R1.135 OCCN1CCCC(CC1)O 269982a_100015186869_100000211926 [0,0,0,1,0,0|2,0,0]=3 2758 B11R1.135 [13CH3]N1CCCN(CC1)CCO 269982a_100000752306_200025704644 [0,0,0,1,0,0|2,0,0]=3 2759 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 2760 B11R1.154 C=C(C)CNCC1CC(C1)O 2230a_100016992100_100000748629 [0,0,0,1,0,0|1,0,2]=4 2761 B11R1.154 C=C1CC(C1)CNCC(C)C 2230a_100102567296_100000210760 [0,0,0,1,0,0|2,0,1]=4 2762 B11R1.154 C=C1CC(C1)CNCC(C)C 270004a_100102567296_100000210432 [0,0,0,1,0,0|2,0,1]=4 2763 B11R1.154 C=C1CC(C1)CNCC(C)C 34a_100102567296_100000210624 [0,0,0,1,0,0|2,0,1]=4 2764 B11R1.154 C=C1CC(C1)COCC(C)C 34a_100011011225_100000210624 [0,0,0,1,0,0|2,0,1]=4 2765 B11R1.154 C=C1CC(C1)NCCC(C)C 2230a_100132301982_100000210312 [0,0,0,1,0,0|2,0,1]=4 2766 B11R1.154 C=C1CC(C1)NCCC(C)C 269862a_100132301982_100000185833 [0,0,0,1,0,0|2,0,1]=4 2767 B11R1.154 CC(=CCCN1CC(C1)O)C 269982a_100000749847_100011217483 [0,0,0,1,0,0|1,0,2]=4 2768 B11R1.154 CC(=CCN[C@H]1C[C@@H](C1)O)C 2230a_100020629032_100000761012 [0,0,0,1,0,0|1,0,2]=4 2769 B11R1.154 CC(=O)CCCN1CC(C1)O 269982a_100000749847_100011215641 [0,0,0,1,0,0|2,0,1]=4 2770 B11R1.154 CC(C)CCCN1CC(C1)C 2230a_100000702820_100011214892 [0,0,0,1,0,0|2,0,0]=3 2771 B11R1.154 CC(C)CCCN1CC(C1)C 269982a_100000702820_100011214892 [0,0,0,1,0,0|2,0,0]=3 2772 B11R1.154 CC(C)CCCN1CC(C1)C 34a_100000702820_100011214892 [0,0,0,1,0,0|2,0,0]=3 2773 B11R1.154 CC(C)CCCN1CC(C1)F 2230a_100000690557_100011214892 [0,0,0,1,0,0|2,0,0]=3 2774 B11R1.154 CC(C)CCCN1CC(C1)F 269982a_100000690557_100011214892 [0,0,0,1,0,0|2,0,0]=3 2775 B11R1.154 CC(C)CCCN1CC(C1)F 34a_100000690557_100011214892 [0,0,0,1,0,0|2,0,0]=3 2776 B11R1.154 CC(C)CCCN1CC(C1)O 269982a_100000749847_100011214892 [0,0,0,1,0,0|1,0,0]=2 2777 B11R1.154 CC(C)CCNC1CC(C1)F 2230a_100016993743_100000210312 [0,0,0,1,0,0|2,0,0]=3 2778 B11R1.154 CC(C)CCNC1CN(C1)C 269862a_100015196640_100000185833 [0,0,0,1,0,0|3,0,0]=4 2779 B11R1.154 CC(C)CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210312 [0,0,0,1,0,0|1,0,0]=2 2780 B11R1.154 CC(C)CCN[C@H]1C[C@@H](C1)O 269862a_100020629032_100000185833 [0,0,0,1,0,0|1,0,0]=2 2781 B11R1.154 CC(C)CCSC1CC(=O)C1 62a_100009894365_100000210312 [0,0,0,1,0,0|1,0,2]=4 2782 B11R1.154 CC(C)CNCC1CC(=O)C1 2230a_100000210953_100009874392 [0,0,0,1,0,0|1,0,2]=4 2783 B11R1.154 CC(C)CNCC1CC(C1)O 2230a_100016992100_100000210760 [0,0,0,1,0,0|1,0,0]=2 2784 B11R1.154 CC(C)CNCC1CC(C1)O 270004a_100016992100_100000210432 [0,0,0,1,0,0|1,0,0]=2 2785 B11R1.154 CC(C)CNCC1CN(C1)C 270004a_100000723568_100000210432 [0,0,0,1,0,0|3,0,0]=4 2786 B11R1.154 CC(C)COCC1CC(=O)C1 34a_100000101936_100000210624 [0,0,0,1,0,0|1,0,2]=4 2787 B11R1.154 CC(C)COCC1CC(C1)Cl 34a_100009874164_100000210624 [0,0,0,1,0,0|2,0,0]=3 2788 B11R1.154 CC(C)CSCC1CC(=O)C1 62a_100000210624_100009874392 [0,0,0,1,0,0|1,0,2]=4 2789 B11R1.154 CC(C)CSCC1CC(=O)C1 62a_100009874392_100000210760 [0,0,0,1,0,0|1,0,2]=4 2790 B11R1.154 CC(C)OCCN1CC(C1)F 2230a_100000690557_100000211751 [0,0,0,1,0,0|3,0,0]=4 2791 B11R1.154 CC(C)OCCN1CC(C1)F 269982a_100000690557_100000211751 [0,0,0,1,0,0|3,0,0]=4 2792 B11R1.154 CC(C)OCCN1CC(C1)F 34a_100000690557_100000211751 [0,0,0,1,0,0|3,0,0]=4 2793 B11R1.154 CC(C)OCCN1CC(C1)O 269982a_100000749847_100000211751 [0,0,0,1,0,0|2,0,0]=3 2794 B11R1.154 CC(C)OCNC1CC(C1)F 2230a_100016993743_100000709892 [0,0,0,1,0,0|3,0,0]=4 2795 B11R1.154 CC(C)OCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000709892 [0,0,0,1,0,0|2,0,0]=3 2796 B11R1.154 CC(C)SCCN1CC(C1)F 2230a_100000690557_100000730970 [0,0,0,1,0,0|3,0,0]=4 2797 B11R1.154 CC(C)SCCN1CC(C1)F 269982a_100000690557_100000730970 [0,0,0,1,0,0|3,0,0]=4 2798 B11R1.154 CC(C)SCCN1CC(C1)F 34a_100000690557_100000730970 [0,0,0,1,0,0|3,0,0]=4 2799 B11R1.154 CC(C)SCCN1CC(C1)O 269982a_100000749847_100000730970 [0,0,0,1,0,0|2,0,0]=3 2800 B11R1.154 CC(O)CCCN1CC(C1)C 2230a_100000702820_200000718107 [0,0,0,1,0,0|3,0,0]=4 2801 B11R1.154 CC(O)CCCN1CC(C1)C 269982a_100000702820_200000718107 [0,0,0,1,0,0|3,0,0]=4 2802 B11R1.154 CC(O)CCCN1CC(C1)C 34a_100000702820_200000718107 [0,0,0,1,0,0|3,0,0]=4 2803 B11R1.154 CC(O)CCCN1CC(C1)F 2230a_100000690557_200000718107 [0,0,0,1,0,0|3,0,0]=4 2804 B11R1.154 CC(O)CCCN1CC(C1)F 269982a_100000690557_200000718107 [0,0,0,1,0,0|3,0,0]=4 2805 B11R1.154 CC(O)CCCN1CC(C1)F 34a_100000690557_200000718107 [0,0,0,1,0,0|3,0,0]=4 2806 B11R1.154 CC(O)CCCN1CC(C1)O 269982a_100000749847_200000718107 [0,0,0,1,0,0|2,0,0]=3 2807 B11R1.154 CC(O)CCNC1CC(C1)F 2230a_100016993743_100012276601 [0,0,0,1,0,0|3,0,0]=4 2808 B11R1.154 CC(O)CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100012276601 [0,0,0,1,0,0|2,0,0]=3 2809 B11R1.154 CC(O)CNCC1CC(C1)O 2230a_100016992100_100011218427 [0,0,0,1,0,0|2,0,0]=3 2810 B11R1.154 CC(O)COCC1CC(C1)Cl 34a_100009874164_100011218427 [0,0,0,1,0,0|3,0,0]=4 2811 B11R1.154 CC1CN(C1)CCCN(C)C 269982a_100000702820_100000757444 [0,0,0,1,0,0|3,0,0]=4 2812 B11R1.154 CC1CN(C1)CCOC(C)C 2230a_100000702820_100000211751 [0,0,0,1,0,0|3,0,0]=4 2813 B11R1.154 CC1CN(C1)CCOC(C)C 269982a_100000702820_100000211751 [0,0,0,1,0,0|3,0,0]=4 2814 B11R1.154 CC1CN(C1)CCOC(C)C 34a_100000702820_100000211751 [0,0,0,1,0,0|3,0,0]=4 2815 B11R1.154 CC1CN(C1)CCSC(C)C 2230a_100000702820_100000730970 [0,0,0,1,0,0|3,0,0]=4 2816 B11R1.154 CC1CN(C1)CCSC(C)C 269982a_100000702820_100000730970 [0,0,0,1,0,0|3,0,0]=4 2817 B11R1.154 CC1CN(C1)CCSC(C)C 34a_100000702820_100000730970 [0,0,0,1,0,0|3,0,0]=4 2818 B11R1.154 CN(C)CCCN1CC(C1)F 269982a_100000690557_100000757444 [0,0,0,1,0,0|3,0,0]=4 2819 B11R1.154 CN(C)CCCN1CC(C1)O 269982a_100000749847_100000757444 [0,0,0,1,0,0|2,0,0]=3 2820 B11R1.154 C[C@@H](O)CNCC1CC(C1)O 2230a_100016992100_100009817552 [0,0,0,1,0,0|2,0,0]=3 2821 B11R1.154 C[C@@H](O)COCC1CC(C1)Cl 34a_100009874164_100009817552 [0,0,0,1,0,0|3,0,0]=4 2822 B11R1.154 OC1CC(C1)CNCC(F)F 2230a_100016992100_100011934356 [0,0,0,1,0,0|3,0,0]=4 2823 B11R1.157 CC(=O)CC1CCCC(C1)C 1458a_100000748788_200000210301 [0,0,0,1,0,0|2,0,1]=4 2824 B11R1.157 CC(C)CN1CCCC(C1)F 2230a_100000697950_100000210760 [0,0,0,1,0,0|3,0,0]=4 2825 B11R1.157 CC(C)CN1CCCC(C1)F 269982a_100000697950_100000210624 [0,0,0,1,0,0|3,0,0]=4 2826 B11R1.157 CC(C)CN1CCCC(C1)F 270004a_100000697950_100000210432 [0,0,0,1,0,0|3,0,0]=4 2827 B11R1.157 CC(C)CN1CCCC(C1)F 34a_100000697950_100000210624 [0,0,0,1,0,0|3,0,0]=4 2828 B11R1.157 CC(C)CN1CCCC(C1)O 2230a_100000211013_100000210760 [0,0,0,1,0,0|3,0,0]=4 2829 B11R1.157 CC(C)CN1CCCC(C1)O 269982a_100000211013_100000210624 [0,0,0,1,0,0|3,0,0]=4 2830 B11R1.157 CC(C)CN1CCCC(C1)O 270004a_100000211013_100000210432 [0,0,0,1,0,0|3,0,0]=4 2831 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 2230a_100000717927_100000210760 [0,0,0,1,0,0|2,0,0]=3 2832 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 269982a_100000717927_100000210624 [0,0,0,1,0,0|2,0,0]=3 2833 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 270004a_100000717927_100000210432 [0,0,0,1,0,0|2,0,0]=3 2834 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 34a_100000717927_100000210624 [0,0,0,1,0,0|2,0,0]=3 2835 B11R1.157 CC(C)CN1CCOC(C1)C 2230a_100000729577_100000210760 [0,0,0,1,0,0|3,0,0]=4 2836 B11R1.157 CC(C)CN1CCOC(C1)C 269982a_100000729577_100000210624 [0,0,0,1,0,0|3,0,0]=4 2837 B11R1.157 CC(C)CN1CCOC(C1)C 270004a_100000729577_100000210432 [0,0,0,1,0,0|3,0,0]=4 2838 B11R1.157 CC(C)CN1CCOC(C1)C 34a_100000729577_100000210624 [0,0,0,1,0,0|3,0,0]=4 2839 B11R1.157 CC(C)NC1CCCC(C1)O 2230a_100015190357_100000210206 [0,0,0,1,0,0|3,0,0]=4 2840 B11R1.157 CC(C)OC1CCOC(C1)C 34a_100011986385_100000210206 [0,0,0,1,0,0|3,0,0]=4 2841 B11R1.157 CC(C)OC1CCOC(C1)C 7a_100011986385_100000210206 [0,0,0,1,0,0|3,0,0]=4 2842 B11R1.157 CC(O)CN1CCC[C@@H](C1)C 2230a_100000717927_100011218427 [0,0,0,1,0,0|3,0,0]=4 2843 B11R1.157 CC(O)CN1CCC[C@@H](C1)C 269982a_100000717927_100011218427 [0,0,0,1,0,0|3,0,0]=4 2844 B11R1.157 CC(O)CN1CCC[C@@H](C1)C 34a_100000717927_100011218427 [0,0,0,1,0,0|3,0,0]=4 2845 B11R1.157 CC1CCCC(C1)CC(=O)[13CH3] 1458a_100000748788_200025704644 [0,0,0,1,0,0|2,0,1]=4 2846 B11R1.157 CC1CCCC(C1)NC(C)C 2230a_100011194320_100000210206 [0,0,0,1,0,0|2,0,0]=3 2847 B11R1.157 CC1CCCC(C1)NC(C)C 34a_100011194320_100000210206 [0,0,0,1,0,0|2,0,0]=3 2848 B11R1.157 CC1CCCC(C1)OC(C)C 34a_100000211399_100000210206 [0,0,0,1,0,0|2,0,0]=3 2849 B11R1.157 CN(C)CC1CCCN(C1)C 2230a_100000748423_200000210301 [0,0,0,1,0,0|3,0,0]=4 2850 B11R1.157 CN(C)CC1CCCN(C1)C 2230a_100000756388_200000210301 [0,0,0,1,0,0|3,0,0]=4 2851 B11R1.157 CN(C)CC1CCCN(C1)C 269982a_100000748423_200000210301 [0,0,0,1,0,0|3,0,0]=4 2852 B11R1.157 CN(C)CC1CCCN(C1)C 269982a_100000756388_200000210301 [0,0,0,1,0,0|3,0,0]=4 2853 B11R1.157 CN(C)CC1CCCN(C1)C 269982a_100102631434_100000752043 [0,0,0,1,0,0|3,0,0]=4 2854 B11R1.157 CN(C)CC1CCCN(C1)[13CH3] 2230a_100000748423_200025704644 [0,0,0,1,0,0|3,0,0]=4 2855 B11R1.157 CN(C)CC1CCCN(C1)[13CH3] 269982a_100000748423_200025704644 [0,0,0,1,0,0|3,0,0]=4 2856 B11R1.157 CN(C)CC1CN(CCO1)C 2230a_100000752868_200000210301 [0,0,0,1,0,0|2,0,0]=3 2857 B11R1.157 CN(C)CC1CN(CCO1)C 269982a_100000752868_200000210301 [0,0,0,1,0,0|2,0,0]=3 2858 B11R1.157 CN(C)CC1CN(CCO1)[13CH3] 2230a_100000752868_200025704644 [0,0,0,1,0,0|2,0,0]=3 2859 B11R1.157 CN(C)CC1CN(CCO1)[13CH3] 269982a_100000752868_200025704644 [0,0,0,1,0,0|2,0,0]=3 2860 B11R1.157 CN([13CH3])CC1CCCN(C1)C 2230a_100000756388_200025704644 [0,0,0,1,0,0|3,0,0]=4 2861 B11R1.157 CN([13CH3])CC1CCCN(C1)C 269982a_100000756388_200025704644 [0,0,0,1,0,0|3,0,0]=4 2862 B11R1.157 C[C@H]1CCCN(C1)C[C@@H](C)O 2230a_100000717927_100009817552 [0,0,0,1,0,0|3,0,0]=4 2863 B11R1.157 C[C@H]1CCCN(C1)C[C@@H](C)O 269982a_100000717927_100009817552 [0,0,0,1,0,0|3,0,0]=4 2864 B11R1.157 C[C@H]1CCCN(C1)C[C@@H](C)O 34a_100000717927_100009817552 [0,0,0,1,0,0|3,0,0]=4 2865 B11R1.166 CC(C)N1CCN(CC1C)C 2230a_200011726126_200000210301 [0,0,0,1,0,0|3,0,0]=4 2866 B11R1.166 CC(C)N1CCN(CC1C)C 269982a_200011726126_200000210301 [0,0,0,1,0,0|3,0,0]=4 2867 B11R1.166 CC(C)N1CCN(CC1C)C 34a_200011726126_200000210301 [0,0,0,1,0,0|3,0,0]=4 2868 B11R1.166 CC(C)N1CCN(CC1C)[13CH3] 2230a_200011726126_200025704644 [0,0,0,1,0,0|3,0,0]=4 2869 B11R1.166 CC(C)N1CCN(CC1C)[13CH3] 269982a_200011726126_200025704644 [0,0,0,1,0,0|3,0,0]=4 2870 B11R1.166 CC(C)N1CCN(CC1C)[13CH3] 34a_200011726126_200025704644 [0,0,0,1,0,0|3,0,0]=4 2871 B11R1.166 CC(C)N1CCN(C[C@@H]1C)C 2230a_100012002466_100000210206 [0,0,0,1,0,0|3,0,0]=4 2872 B11R1.166 CC(C)N1CCN(C[C@@H]1C)C 269982a_100012002466_100000210206 [0,0,0,1,0,0|3,0,0]=4 2873 B11R1.172 C=C(C)CCN[C@@H]1CCOC1 2230a_200015188469_100000730704 [0,0,0,1,0,0|1,0,2]=4 2874 B11R1.172 C=C(C)CCN[C@H]1CCOC1 2230a_100015188467_100000730704 [0,0,0,1,0,0|1,0,2]=4 2875 B11R1.172 C=C(C)CCN[C@H]1CCOC1 34a_100015188467_100000730704 [0,0,0,1,0,0|1,0,2]=4 2876 B11R1.172 C=C(C)CCOC1CCOC1 34a_100000764851_100000690089 [0,0,0,1,0,0|1,0,2]=4 2877 B11R1.172 C=C(C)CCO[C@H]1CCOC1 34a_100000717292_100000730704 [0,0,0,1,0,0|1,0,2]=4 2878 B11R1.172 C=C(C)CCSC1CCOC1 62a_100000730704_100000690089 [0,0,0,1,0,0|1,0,2]=4 2879 B11R1.172 C=C(C)CNCC1CCOC1 2230a_100000737293_100000748629 [0,0,0,1,0,0|1,0,2]=4 2880 B11R1.172 C=C(C)CNCC1CCOC1 34a_100000737293_100000748629 [0,0,0,1,0,0|1,0,2]=4 2881 B11R1.172 C=C(C)COCC1CCOC1 34a_100000210245_100011261433 [0,0,0,1,0,0|1,0,2]=4 2882 B11R1.172 C=C(C)COCC1CCOC1 34a_100000740260_100000748629 [0,0,0,1,0,0|1,0,2]=4 2883 B11R1.172 C=C(C)CSCC1CCOC1 62a_100000702531_100000211660 [0,0,0,1,0,0|1,0,2]=4 2884 B11R1.172 C=C(C)CSCC1CCOC1 62a_100000748629_100000702531 [0,0,0,1,0,0|1,0,2]=4 2885 B11R1.172 CC(=CCNC1CCOC1)C 270004a_100000718196_100000752484 [0,0,0,1,0,0|1,0,2]=4 2886 B11R1.172 CC(=CCNC1CCOC1)C 34a_100000718196_100000690089 [0,0,0,1,0,0|1,0,2]=4 2887 B11R1.172 CC(=CCN[C@@H]1CCOC1)C 2230a_200015188469_100000761012 [0,0,0,1,0,0|1,0,2]=4 2888 B11R1.172 CC(=CCN[C@H]1CCOC1)C 2230a_100015188467_100000761012 [0,0,0,1,0,0|1,0,2]=4 2889 B11R1.172 CC(=CCN[C@H]1CCOC1)C 34a_100015188467_100000761012 [0,0,0,1,0,0|1,0,2]=4 2890 B11R1.172 CC(=CCOC1CCOC1)C 34a_100000753907_100000690089 [0,0,0,1,0,0|1,0,2]=4 2891 B11R1.172 CC(=CCO[C@H]1CCOC1)C 34a_100000717292_100000761012 [0,0,0,1,0,0|1,0,2]=4 2892 B11R1.172 CC(=CCSC1CCOC1)C 62a_100000761012_100000690089 [0,0,0,1,0,0|1,0,2]=4 2893 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [0,0,0,1,0,0|2,0,1]=4 2894 B11R1.172 CC(=O)CCOC1CCOC1 34a_100000759926_100000690089 [0,0,0,1,0,0|2,0,1]=4 2895 B11R1.172 CC(=O)CCOC1CCOC1 7a_100000759926_100000731011 [0,0,0,1,0,0|2,0,1]=4 2896 B11R1.172 CC(=O)CCSC1CCOC1 62a_100000053229_100000690089 [0,0,0,1,0,0|2,0,1]=4 2897 B11R1.172 CC(=O)COCC1CCOC1 34a_100000211253_100011261433 [0,0,0,1,0,0|2,0,1]=4 2898 B11R1.172 CC(Br)CCOC1CCCC1 34a_100009893172_100000179811 [0,0,0,1,0,0|3,0,0]=4 2899 B11R1.172 CC(Br)CCOC1CCOC1 34a_100009893172_100000690089 [0,0,0,1,0,0|2,0,0]=3 2900 B11R1.172 CC(Br)COCC1CCCC1 34a_100012180447_100000740388 [0,0,0,1,0,0|3,0,0]=4 2901 B11R1.172 CC(Br)COCC1CCOC1 34a_100012180447_100011261433 [0,0,0,1,0,0|2,0,0]=3 2902 B11R1.172 CC(C)C=NNC1CCOC1 4a_100000690549_100000210432 [0,0,0,1,0,0|2,0,1]=4 2903 B11R1.172 CC(C)CCCN1CC=CC1 269982a_100015195280_100011214892 [0,0,0,1,0,0|2,0,1]=4 2904 B11R1.172 CC(C)CCCN1CCCC1 2230a_100000188435_100011214892 [0,0,0,1,0,0|2,0,0]=3 2905 B11R1.172 CC(C)CCCN1CCCC1 269982a_100000188435_100011214892 [0,0,0,1,0,0|2,0,0]=3 2906 B11R1.172 CC(C)CCCN1CCSC1 2230a_100011215254_100011214892 [0,0,0,1,0,0|1,1,0]=3 2907 B11R1.172 CC(C)CCCN1CCSC1 269982a_100011215254_100011214892 [0,0,0,1,0,0|1,1,0]=3 2908 B11R1.172 CC(C)CCNC1CC=CC1 2230a_100015188752_100000210312 [0,0,0,1,0,0|2,0,1]=4 2909 B11R1.172 CC(C)CCNC1CC=CC1 269862a_100015188752_100000185833 [0,0,0,1,0,0|2,0,1]=4 2910 B11R1.172 CC(C)CCNC1CCCC1 2230a_100000211070_100000210312 [0,0,0,1,0,0|2,0,0]=3 2911 B11R1.172 CC(C)CCNC1CCCC1 269862a_100000211070_100000185833 [0,0,0,1,0,0|2,0,0]=3 2912 B11R1.172 CC(C)CCNC1CCCC1 270004a_100000210545_100000210133 [0,0,0,1,0,0|2,0,0]=3 2913 B11R1.172 CC(C)CCNC1CCCC1 34a_100000211070_100000210312 [0,0,0,1,0,0|2,0,0]=3 2914 B11R1.172 CC(C)CCNC1CCOC1 270004a_100000210545_100000752484 [0,0,0,1,0,0|1,0,0]=2 2915 B11R1.172 CC(C)CCNC1CCSC1 270004a_100000210545_100000212027 [0,0,0,1,0,0|1,1,0]=3 2916 B11R1.172 CC(C)CCN[C@@H]1CCOC1 2230a_200015188469_100000210312 [0,0,0,1,0,0|1,0,0]=2 2917 B11R1.172 CC(C)CCN[C@@H]1CCOC1 269862a_200015188469_100000185833 [0,0,0,1,0,0|1,0,0]=2 2918 B11R1.172 CC(C)CCN[C@H]1CCOC1 2230a_100015188467_100000210312 [0,0,0,1,0,0|1,0,0]=2 2919 B11R1.172 CC(C)CCN[C@H]1CCOC1 269862a_100015188467_100000185833 [0,0,0,1,0,0|1,0,0]=2 2920 B11R1.172 CC(C)CCN[C@H]1CCOC1 34a_100015188467_100000210312 [0,0,0,1,0,0|1,0,0]=2 2921 B11R1.172 CC(C)CCOC1CCCC1 34a_100000210254_100000179811 [0,0,0,1,0,0|2,0,0]=3 2922 B11R1.172 CC(C)CCOC1CCCC1 34a_100000210269_100000210312 [0,0,0,1,0,0|2,0,0]=3 2923 B11R1.172 CC(C)CCOC1CCCC1 7a_100000210254_100000179811 [0,0,0,1,0,0|2,0,0]=3 2924 B11R1.172 CC(C)CCOC1CCCC1 7a_100000210269_100000210626 [0,0,0,1,0,0|2,0,0]=3 2925 B11R1.172 CC(C)CCOC1CCCO1 34a_100000085407_100000210312 [0,0,0,1,0,0|3,0,0]=4 2926 B11R1.172 CC(C)CCOC1CCOC1 34a_100000210254_100000690089 [0,0,0,1,0,0|1,0,0]=2 2927 B11R1.172 CC(C)CCOC1CCOC1 7a_100000210254_100000731011 [0,0,0,1,0,0|1,0,0]=2 2928 B11R1.172 CC(C)CCOC1CCSC1 7a_100011232664_100000210626 [0,0,0,1,0,0|1,1,0]=3 2929 B11R1.172 CC(C)CCO[C@H]1CCOC1 34a_100000717292_100000210312 [0,0,0,1,0,0|1,0,0]=2 2930 B11R1.172 CC(C)CCSC1CCCC1 62a_100000210312_100000179811 [0,0,0,1,0,0|2,0,0]=3 2931 B11R1.172 CC(C)CCSC1CCCC1 62a_100011217020_100000210312 [0,0,0,1,0,0|2,0,0]=3 2932 B11R1.172 CC(C)CCSC1CCOC1 62a_100000210312_100000690089 [0,0,0,1,0,0|1,0,0]=2 2933 B11R1.172 CC(C)CNCC1CCCC1 2230a_100000210953_100000740388 [0,0,0,1,0,0|2,0,0]=3 2934 B11R1.172 CC(C)CNCC1CCCC1 2230a_100000737975_100000210760 [0,0,0,1,0,0|2,0,0]=3 2935 B11R1.172 CC(C)CNCC1CCCC1 269862a_100000210953_100000746403 [0,0,0,1,0,0|2,0,0]=3 2936 B11R1.172 CC(C)CNCC1CCCC1 270004a_100000737975_100000210432 [0,0,0,1,0,0|2,0,0]=3 2937 B11R1.172 CC(C)CNCC1CCCC1 34a_100000210953_100000740388 [0,0,0,1,0,0|2,0,0]=3 2938 B11R1.172 CC(C)CNCC1CCCC1 34a_100000737975_100000210624 [0,0,0,1,0,0|2,0,0]=3 2939 B11R1.172 CC(C)CNCC1CCCO1 2230a_100000210953_100000203698 [0,0,0,1,0,0|3,0,0]=4 2940 B11R1.172 CC(C)CNCC1CCOC1 2230a_100000210953_100000702531 [0,0,0,1,0,0|1,0,0]=2 2941 B11R1.172 CC(C)CNCC1CCOC1 2230a_100000737293_100000210760 [0,0,0,1,0,0|1,0,0]=2 2942 B11R1.172 CC(C)CNCC1CCOC1 270004a_100000737293_100000210432 [0,0,0,1,0,0|1,0,0]=2 2943 B11R1.172 CC(C)CNCC1CCOC1 34a_100000210953_100011261433 [0,0,0,1,0,0|1,0,0]=2 2944 B11R1.172 CC(C)CNCC1CCOC1 34a_100000737293_100000210624 [0,0,0,1,0,0|1,0,0]=2 2945 B11R1.172 CC(C)CNC[C@@H]1CCCO1 2230a_100020590478_100000210760 [0,0,0,1,0,0|3,0,0]=4 2946 B11R1.172 CC(C)CNC[C@@H]1CCCO1 270004a_100020590478_100000210432 [0,0,0,1,0,0|3,0,0]=4 2947 B11R1.172 CC(C)CNC[C@@H]1CCCO1 34a_100020590478_100000210624 [0,0,0,1,0,0|3,0,0]=4 2948 B11R1.172 CC(C)COCC1CC=CC1 34a_100000688395_100000210624 [0,0,0,1,0,0|2,0,1]=4 2949 B11R1.172 CC(C)COCC1CCCC1 34a_100000210257_100000740388 [0,0,0,1,0,0|2,0,0]=3 2950 B11R1.172 CC(C)COCC1CCCC1 34a_100000742336_100000210624 [0,0,0,1,0,0|2,0,0]=3 2951 B11R1.172 CC(C)COCC1CCCC1 7a_100000742336_100000210760 [0,0,0,1,0,0|2,0,0]=3 2952 B11R1.172 CC(C)COCC1CCCO1 34a_100000210270_100000210624 [0,0,0,1,0,0|3,0,0]=4 2953 B11R1.172 CC(C)COCC1CCCO1 7a_100000210270_100000210760 [0,0,0,1,0,0|3,0,0]=4 2954 B11R1.172 CC(C)COCC1CCNC1 34a_100000748654_100000210624 [0,0,0,1,0,0|2,0,0]=3 2955 B11R1.172 CC(C)COCC1CCOC1 34a_100000210257_100011261433 [0,0,0,1,0,0|1,0,0]=2 2956 B11R1.172 CC(C)COCC1CCOC1 34a_100000740260_100000210624 [0,0,0,1,0,0|1,0,0]=2 2957 B11R1.172 CC(C)COCC1COCO1 34a_100011216627_100000210624 [0,0,0,1,0,0|2,0,0]=3 2958 B11R1.172 CC(C)COC[C@H]1CCCN1 34a_100000745186_100000210624 [0,0,0,1,0,0|3,0,0]=4 2959 B11R1.172 CC(C)CSCC1CCCC1 62a_100000210624_100000740388 [0,0,0,1,0,0|2,0,0]=3 2960 B11R1.172 CC(C)CSCC1CCCC1 62a_100000740388_100000210760 [0,0,0,1,0,0|2,0,0]=3 2961 B11R1.172 CC(C)CSCC1CCCO1 62a_100000203698_100000210760 [0,0,0,1,0,0|3,0,0]=4 2962 B11R1.172 CC(C)CSCC1CCCO1 62a_100000210624_100000203698 [0,0,0,1,0,0|3,0,0]=4 2963 B11R1.172 CC(C)CSCC1CCOC1 62a_100000210624_100000702531 [0,0,0,1,0,0|1,0,0]=2 2964 B11R1.172 CC(C)CSCC1CCOC1 62a_100000702531_100000210760 [0,0,0,1,0,0|1,0,0]=2 2965 B11R1.172 CC(C)NCCC1CCCC1 2230a_100000739158_100000210206 [0,0,0,1,0,0|2,0,0]=3 2966 B11R1.172 CC(C)NCCC1CCCC1 2230a_100138425928_100000760354 [0,0,0,1,0,0|2,0,0]=3 2967 B11R1.172 CC(C)NCCC1CCCC1 34a_100000739158_100000210206 [0,0,0,1,0,0|2,0,0]=3 2968 B11R1.172 CC(C)NCCC1CCCC1 34a_100138425928_100000760354 [0,0,0,1,0,0|2,0,0]=3 2969 B11R1.172 CC(C)NN=CC1CCOC1 4a_100000741168_100000239508 [0,0,0,1,0,0|2,0,1]=4 2970 B11R1.172 CC(C)OCCC1CCCC1 34a_100000212225_100000760354 [0,0,0,1,0,0|2,0,0]=3 2971 B11R1.172 CC(C)OCCC1CCCC1 34a_100000749090_100000210206 [0,0,0,1,0,0|2,0,0]=3 2972 B11R1.172 CC(C)OCCC1CCCC1 7a_100000749090_100000210206 [0,0,0,1,0,0|2,0,0]=3 2973 B11R1.172 CC(C)OCCC1CCNC1 34a_100016987287_100000210206 [0,0,0,1,0,0|2,0,0]=3 2974 B11R1.172 CC(C)OCCC1CCOC1 34a_100011879284_100000210206 [0,0,0,1,0,0|1,0,0]=2 2975 B11R1.172 CC(C)OCCN1CCCC1 2230a_100000188435_100000211751 [0,0,0,1,0,0|3,0,0]=4 2976 B11R1.172 CC(C)OCCN1CCCC1 269982a_100000188435_100000211751 [0,0,0,1,0,0|3,0,0]=4 2977 B11R1.172 CC(C)OCCN1CCSC1 2230a_100011215254_100000211751 [0,0,0,1,0,0|2,1,0]=4 2978 B11R1.172 CC(C)OCCN1CCSC1 269982a_100011215254_100000211751 [0,0,0,1,0,0|2,1,0]=4 2979 B11R1.172 CC(C)OCNC1CCCC1 2230a_100000211070_100000709892 [0,0,0,1,0,0|3,0,0]=4 2980 B11R1.172 CC(C)OCNC1CCCC1 34a_100000211070_100000709892 [0,0,0,1,0,0|3,0,0]=4 2981 B11R1.172 CC(C)OCN[C@@H]1CCOC1 2230a_200015188469_100000709892 [0,0,0,1,0,0|2,0,0]=3 2982 B11R1.172 CC(C)OCN[C@H]1CCOC1 2230a_100015188467_100000709892 [0,0,0,1,0,0|2,0,0]=3 2983 B11R1.172 CC(C)OCN[C@H]1CCOC1 34a_100015188467_100000709892 [0,0,0,1,0,0|2,0,0]=3 2984 B11R1.172 CC(C)OCOC1CCCC1 34a_100000210269_100000709892 [0,0,0,1,0,0|3,0,0]=4 2985 B11R1.172 CC(C)OCO[C@H]1CCOC1 34a_100000717292_100000709892 [0,0,0,1,0,0|2,0,0]=3 2986 B11R1.172 CC(C)OCSC1CCCC1 62a_100000709892_100000179811 [0,0,0,1,0,0|3,0,0]=4 2987 B11R1.172 CC(C)OCSC1CCCC1 62a_100011217020_100000709892 [0,0,0,1,0,0|3,0,0]=4 2988 B11R1.172 CC(C)OCSC1CCOC1 62a_100000709892_100000690089 [0,0,0,1,0,0|2,0,0]=3 2989 B11R1.172 CC(C)SCCC1CCCC1 62a_100000210206_100000760354 [0,0,0,1,0,0|2,0,0]=3 2990 B11R1.172 CC(C)SCCC1CCCC1 62a_100000760354_100000210206 [0,0,0,1,0,0|2,0,0]=3 2991 B11R1.172 CC(C)SCCN1CCCC1 2230a_100000188435_100000730970 [0,0,0,1,0,0|3,0,0]=4 2992 B11R1.172 CC(C)SCCN1CCCC1 269982a_100000188435_100000730970 [0,0,0,1,0,0|3,0,0]=4 2993 B11R1.172 CC(C)SCCN1CCCC1 62a_100000210206_100000004467 [0,0,0,1,0,0|3,0,0]=4 2994 B11R1.172 CC(C)SCCN1CCCC1 62a_100000700749_100000210206 [0,0,0,1,0,0|3,0,0]=4 2995 B11R1.172 CC(C)SCCN1CCSC1 2230a_100011215254_100000730970 [0,0,0,1,0,0|2,1,0]=4 2996 B11R1.172 CC(C)SCCN1CCSC1 269982a_100011215254_100000730970 [0,0,0,1,0,0|2,1,0]=4 2997 B11R1.172 CC(F)COCC1CCCC1 34a_100015925927_100000740388 [0,0,0,1,0,0|3,0,0]=4 2998 B11R1.172 CC(F)COCC1CCOC1 34a_100015925927_100011261433 [0,0,0,1,0,0|2,0,0]=3 2999 B11R1.172 CC(O)CCCN1CCCC1 2230a_100000188435_200000718107 [0,0,0,1,0,0|3,0,0]=4 3000 B11R1.172 CC(O)CCCN1CCCC1 269982a_100000188435_200000718107 [0,0,0,1,0,0|3,0,0]=4 3001 B11R1.172 CC(O)CCCN1CCSC1 2230a_100011215254_200000718107 [0,0,0,1,0,0|2,1,0]=4 3002 B11R1.172 CC(O)CCCN1CCSC1 269982a_100011215254_200000718107 [0,0,0,1,0,0|2,1,0]=4 3003 B11R1.172 CC(O)CCNC1CCCC1 2230a_100000211070_100012276601 [0,0,0,1,0,0|3,0,0]=4 3004 B11R1.172 CC(O)CCNC1CCCC1 2230a_200000755665_100000179811 [0,0,0,1,0,0|3,0,0]=4 3005 B11R1.172 CC(O)CCNC1CCCC1 270004a_200000755665_100000210133 [0,0,0,1,0,0|3,0,0]=4 3006 B11R1.172 CC(O)CCNC1CCCC1 34a_100000211070_100012276601 [0,0,0,1,0,0|3,0,0]=4 3007 B11R1.172 CC(O)CCNC1CCOC1 2230a_200000755665_100000731011 [0,0,0,1,0,0|2,0,0]=3 3008 B11R1.172 CC(O)CCNC1CCOC1 270004a_200000755665_100000752484 [0,0,0,1,0,0|2,0,0]=3 3009 B11R1.172 CC(O)CCNC1CCSC1 270004a_200000755665_100000212027 [0,0,0,1,0,0|2,1,0]=4 3010 B11R1.172 CC(O)CCN[C@@H]1CCOC1 2230a_200015188469_100012276601 [0,0,0,1,0,0|2,0,0]=3 3011 B11R1.172 CC(O)CCN[C@H]1CCOC1 2230a_100015188467_100012276601 [0,0,0,1,0,0|2,0,0]=3 3012 B11R1.172 CC(O)CCN[C@H]1CCOC1 34a_100015188467_100012276601 [0,0,0,1,0,0|2,0,0]=3 3013 B11R1.172 CC(O)CCOC1CCCC1 34a_100000210269_100012276601 [0,0,0,1,0,0|3,0,0]=4 3014 B11R1.172 CC(O)CCOC1CCCC1 7a_100000210269_100012276601 [0,0,0,1,0,0|3,0,0]=4 3015 B11R1.172 CC(O)CCOC1CCSC1 7a_100011232664_100012276601 [0,0,0,1,0,0|2,1,0]=4 3016 B11R1.172 CC(O)CCO[C@H]1CCOC1 34a_100000717292_100012276601 [0,0,0,1,0,0|2,0,0]=3 3017 B11R1.172 CC(O)CCSC1CCCC1 62a_100011217020_100012276601 [0,0,0,1,0,0|3,0,0]=4 3018 B11R1.172 CC(O)CCSC1CCCC1 62a_100012276601_100000179811 [0,0,0,1,0,0|3,0,0]=4 3019 B11R1.172 CC(O)CCSC1CCOC1 62a_100012276601_100000690089 [0,0,0,1,0,0|2,0,0]=3 3020 B11R1.172 CC(O)CNCC1CCCC1 2230a_100000210904_100000740388 [0,0,0,1,0,0|3,0,0]=4 3021 B11R1.172 CC(O)CNCC1CCCC1 2230a_100000737975_100011218427 [0,0,0,1,0,0|3,0,0]=4 3022 B11R1.172 CC(O)CNCC1CCCC1 269862a_100000210904_100000746403 [0,0,0,1,0,0|3,0,0]=4 3023 B11R1.172 CC(O)CNCC1CCCC1 34a_100000210904_100000740388 [0,0,0,1,0,0|3,0,0]=4 3024 B11R1.172 CC(O)CNCC1CCCC1 34a_100000737975_100011218427 [0,0,0,1,0,0|3,0,0]=4 3025 B11R1.172 CC(O)CNCC1CCOC1 2230a_100000210904_100000702531 [0,0,0,1,0,0|2,0,0]=3 3026 B11R1.172 CC(O)CNCC1CCOC1 2230a_100000737293_100011218427 [0,0,0,1,0,0|2,0,0]=3 3027 B11R1.172 CC(O)CNCC1CCOC1 34a_100000210904_100011261433 [0,0,0,1,0,0|2,0,0]=3 3028 B11R1.172 CC(O)CNCC1CCOC1 34a_100000737293_100011218427 [0,0,0,1,0,0|2,0,0]=3 3029 B11R1.172 CC(O)COCC1CCCC1 34a_100000742336_100011218427 [0,0,0,1,0,0|3,0,0]=4 3030 B11R1.172 CC(O)COCC1CCCC1 7a_100000742336_100011218427 [0,0,0,1,0,0|3,0,0]=4 3031 B11R1.172 CC(O)COCC1CCNC1 34a_100000748654_100011218427 [0,0,0,1,0,0|3,0,0]=4 3032 B11R1.172 CC(O)COCC1CCOC1 34a_100000740260_100011218427 [0,0,0,1,0,0|2,0,0]=3 3033 B11R1.172 CC(O)COCC1COCO1 34a_100011216627_100011218427 [0,0,0,1,0,0|3,0,0]=4 3034 B11R1.172 CC(O)CSCC1CCCC1 62a_100000740388_100011218427 [0,0,0,1,0,0|3,0,0]=4 3035 B11R1.172 CC(O)CSCC1CCCC1 62a_100011218427_100000740388 [0,0,0,1,0,0|3,0,0]=4 3036 B11R1.172 CC(O)CSCC1CCOC1 62a_100000702531_100011218427 [0,0,0,1,0,0|2,0,0]=3 3037 B11R1.172 CC(O)CSCC1CCOC1 62a_100011218427_100000702531 [0,0,0,1,0,0|2,0,0]=3 3038 B11R1.172 CN(C)CCCC1CCCC1 2230a_100015186261_200000210301 [0,0,0,1,0,0|2,0,0]=3 3039 B11R1.172 CN(C)CCCC1CCCC1 2230a_100102631434_100011713738 [0,0,0,1,0,0|2,0,0]=3 3040 B11R1.172 CN(C)CCCC1CCCC1 269982a_100015186261_200000210301 [0,0,0,1,0,0|2,0,0]=3 3041 B11R1.172 CN(C)CCCC1CCCC1 269982a_100102631434_100011713738 [0,0,0,1,0,0|2,0,0]=3 3042 B11R1.172 CN(C)CCCC1CCCC1 34a_100015186261_200000210301 [0,0,0,1,0,0|2,0,0]=3 3043 B11R1.172 CN(C)CCCC1CCCO1 2230a_100011698863_200000210301 [0,0,0,1,0,0|3,0,0]=4 3044 B11R1.172 CN(C)CCCC1CCCO1 269982a_100011698863_200000210301 [0,0,0,1,0,0|3,0,0]=4 3045 B11R1.172 CN(C)CCCC1CCCO1 34a_100011698863_200000210301 [0,0,0,1,0,0|3,0,0]=4 3046 B11R1.172 CN(C)CCCN1CCCC1 2230a_100102631434_100011445909 [0,0,0,1,0,0|3,0,0]=4 3047 B11R1.172 CN(C)CCCN1CCCC1 269982a_100000188435_100000757444 [0,0,0,1,0,0|3,0,0]=4 3048 B11R1.172 CN(C)CCCN1CCCC1 269982a_100000233079_200000210301 [0,0,0,1,0,0|3,0,0]=4 3049 B11R1.172 CN(C)CCCN1CCCC1 269982a_100102631434_100011445909 [0,0,0,1,0,0|3,0,0]=4 3050 B11R1.172 CN(C)CCCN1CCSC1 269982a_100011215254_100000757444 [0,0,0,1,0,0|2,1,0]=4 3051 B11R1.172 CN(C)CCNC1CCCC1 270004a_100000210585_100000210133 [0,0,0,1,0,0|3,0,0]=4 3052 B11R1.172 CN(C)CCNC1CCOC1 270004a_100000210585_100000752484 [0,0,0,1,0,0|2,0,0]=3 3053 B11R1.172 CN(C)CCNC1CCSC1 270004a_100000210585_100000212027 [0,0,0,1,0,0|2,1,0]=4 3054 B11R1.172 CN(C)CCOC1CCCC1 7a_100000210269_100000755713 [0,0,0,1,0,0|3,0,0]=4 3055 B11R1.172 CN(C)CCOC1CCSC1 7a_100011232664_100000755713 [0,0,0,1,0,0|2,1,0]=4 3056 B11R1.172 CN(C)CCSC1CCCC1 62a_100011217020_100000755713 [0,0,0,1,0,0|3,0,0]=4 3057 B11R1.172 CN([13CH3])CCCC1CCCC1 2230a_100015186261_200025704644 [0,0,0,1,0,0|2,0,0]=3 3058 B11R1.172 CN([13CH3])CCCC1CCCC1 269982a_100015186261_200025704644 [0,0,0,1,0,0|2,0,0]=3 3059 B11R1.172 CN([13CH3])CCCC1CCCC1 34a_100015186261_200025704644 [0,0,0,1,0,0|2,0,0]=3 3060 B11R1.172 CN([13CH3])CCCC1CCCO1 2230a_100011698863_200025704644 [0,0,0,1,0,0|3,0,0]=4 3061 B11R1.172 CN([13CH3])CCCC1CCCO1 269982a_100011698863_200025704644 [0,0,0,1,0,0|3,0,0]=4 3062 B11R1.172 CN([13CH3])CCCC1CCCO1 34a_100011698863_200025704644 [0,0,0,1,0,0|3,0,0]=4 3063 B11R1.172 CN([13CH3])CCCN1CCCC1 269982a_100000233079_200025704644 [0,0,0,1,0,0|3,0,0]=4 3064 B11R1.172 C[C@@H](Cl)COCC1CCCC1 34a_100016084084_100000740388 [0,0,0,1,0,0|3,0,0]=4 3065 B11R1.172 C[C@@H](Cl)COCC1CCOC1 34a_100016084084_100011261433 [0,0,0,1,0,0|2,0,0]=3 3066 B11R1.172 C[C@@H](N)CCOC1CCCC1 34a_100000706166_100000179811 [0,0,0,1,0,0|3,0,0]=4 3067 B11R1.172 C[C@@H](N)CCOC1CCOC1 34a_100000706166_100000690089 [0,0,0,1,0,0|2,0,0]=3 3068 B11R1.172 C[C@@H](N)COCC1CCCC1 34a_100000737577_100000740388 [0,0,0,1,0,0|3,0,0]=4 3069 B11R1.172 C[C@@H](N)COCC1CCOC1 34a_100000737577_100011261433 [0,0,0,1,0,0|2,0,0]=3 3070 B11R1.172 C[C@@H](O)CNCC1CCCC1 2230a_100000737975_100009817552 [0,0,0,1,0,0|3,0,0]=4 3071 B11R1.172 C[C@@H](O)CNCC1CCCC1 34a_100000737975_100009817552 [0,0,0,1,0,0|3,0,0]=4 3072 B11R1.172 C[C@@H](O)CNCC1CCOC1 2230a_100000737293_100009817552 [0,0,0,1,0,0|2,0,0]=3 3073 B11R1.172 C[C@@H](O)CNCC1CCOC1 34a_100000737293_100009817552 [0,0,0,1,0,0|2,0,0]=3 3074 B11R1.172 C[C@@H](O)COCC1CCCC1 34a_100000742336_100009817552 [0,0,0,1,0,0|3,0,0]=4 3075 B11R1.172 C[C@@H](O)COCC1CCCC1 7a_100000742336_100009817552 [0,0,0,1,0,0|3,0,0]=4 3076 B11R1.172 C[C@@H](O)COCC1CCNC1 34a_100000748654_100009817552 [0,0,0,1,0,0|3,0,0]=4 3077 B11R1.172 C[C@@H](O)COCC1CCOC1 34a_100000740260_100009817552 [0,0,0,1,0,0|2,0,0]=3 3078 B11R1.172 C[C@@H](O)COCC1COCO1 34a_100011216627_100009817552 [0,0,0,1,0,0|3,0,0]=4 3079 B11R1.172 C[C@@H](O)CSCC1CCCC1 62a_100000740388_100009817552 [0,0,0,1,0,0|3,0,0]=4 3080 B11R1.172 C[C@@H](O)CSCC1CCCC1 62a_100009817552_100000740388 [0,0,0,1,0,0|3,0,0]=4 3081 B11R1.172 C[C@@H](O)CSCC1CCOC1 62a_100000702531_100009817552 [0,0,0,1,0,0|2,0,0]=3 3082 B11R1.172 C[C@@H](O)CSCC1CCOC1 62a_100009817552_100000702531 [0,0,0,1,0,0|2,0,0]=3 3083 B11R1.172 FC(F)CCOC1CCOC1 34a_100103093639_100000690089 [0,0,0,1,0,0|3,0,0]=4 3084 B11R1.172 FC(F)CNCC1CCOC1 2230a_100000737293_100011934356 [0,0,0,1,0,0|3,0,0]=4 3085 B11R1.172 FC(F)CNCC1CCOC1 34a_100000737293_100011934356 [0,0,0,1,0,0|3,0,0]=4 3086 B11R1.172 FC(F)CNCC1CCOC1 34a_100000765723_100011261433 [0,0,0,1,0,0|3,0,0]=4 3087 B11R1.172 FC(F)COCC1CCOC1 34a_100000740260_100011934356 [0,0,0,1,0,0|3,0,0]=4 3088 B11R1.172 FC(F)COCC1CCOC1 34a_100000743014_100011261433 [0,0,0,1,0,0|3,0,0]=4 3089 B11R1.172 FC(F)CSCC1CCOC1 62a_100000702531_100011934356 [0,0,0,1,0,0|3,0,0]=4 3090 B11R1.172 FC(F)CSCC1CCOC1 62a_100011934356_100000702531 [0,0,0,1,0,0|3,0,0]=4 3091 B11R1.201 C=C1CC(C1)NC(C)CCO 2230a_100132301982_100009893172 [0,0,0,1,0,0|1,0,2]=4 3092 B11R1.201 CC(CCO)NC1CC(C1)F 2230a_100016993743_100009893172 [0,0,0,1,0,0|2,0,0]=3 3093 B11R1.201 CC(CCO)N[C@H]1C[C@@H](C1)O 2230a_100020629032_100009893172 [0,0,0,1,0,0|2,0,0]=3 3094 B11R1.201 CC(CCO)SC1CC(=O)C1 62a_100009894365_100009893172 [0,0,0,1,0,0|2,0,1]=4 3095 B11R1.201 CCCC(C)CN1CC(C1)C 2230a_100000702820_100011216630 [0,0,0,1,0,0|2,0,0]=3 3096 B11R1.201 CCCC(C)CN1CC(C1)C 269982a_100000702820_100011216630 [0,0,0,1,0,0|2,0,0]=3 3097 B11R1.201 CCCC(C)CN1CC(C1)C 270004a_100000702820_100000243154 [0,0,0,1,0,0|2,0,0]=3 3098 B11R1.201 CCCC(C)CN1CC(C1)C 34a_100000702820_100011216630 [0,0,0,1,0,0|2,0,0]=3 3099 B11R1.201 CCCC(C)CN1CC(C1)F 2230a_100000690557_100011216630 [0,0,0,1,0,0|3,0,0]=4 3100 B11R1.201 CCCC(C)CN1CC(C1)F 269982a_100000690557_100011216630 [0,0,0,1,0,0|3,0,0]=4 3101 B11R1.201 CCCC(C)CN1CC(C1)F 270004a_100000690557_100000243154 [0,0,0,1,0,0|3,0,0]=4 3102 B11R1.201 CCCC(C)CN1CC(C1)F 34a_100000690557_100011216630 [0,0,0,1,0,0|3,0,0]=4 3103 B11R1.201 CCCC(C)CN1CC(C1)O 269982a_100000749847_100011216630 [0,0,0,1,0,0|3,0,0]=4 3104 B11R1.201 CCCC(C)NC1CC(C1)F 2230a_100016993743_100000766640 [0,0,0,1,0,0|3,0,0]=4 3105 B11R1.201 CCCC(C)NC1CC(C1)F 270004a_100016993743_100000211909 [0,0,0,1,0,0|3,0,0]=4 3106 B11R1.201 CCCC(C)NC1CN(C1)C 270004a_100015196640_100000211909 [0,0,0,1,0,0|3,0,0]=4 3107 B11R1.201 CCCC(C)N[C@H]1C[C@@H](C1)O 2230a_100020629032_100000766640 [0,0,0,1,0,0|3,0,0]=4 3108 B11R1.201 CCCC(C)N[C@H]1C[C@@H](C1)O 270004a_100020629032_100000211909 [0,0,0,1,0,0|3,0,0]=4 3109 B11R1.201 CN(CCO)CC1CC(=O)C1 2230a_100000210263_100009874392 [0,0,0,1,0,0|2,0,1]=4 3110 B11R1.201 CN(CCO)CC1CC(=O)C1 269982a_100000210263_100009874392 [0,0,0,1,0,0|2,0,1]=4 3111 B11R1.288 CC(CC#N)OCC1CC1C 7a_100000744939_100009813641 [0,0,0,1,0,0|2,0,1]=4 3112 B11R1.288 CC(CCO)OCC1CC1C 34a_100000744939_100009893172 [0,0,0,1,0,0|1,0,0]=2 3113 B11R1.288 CC(CCO)OCC1CC1C 7a_100000744939_100009893172 [0,0,0,1,0,0|1,0,0]=2 3114 B11R1.288 CCCC(C)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100011216630 [0,0,0,1,0,0|3,0,0]=4 3115 B11R1.288 CCCC(C)CN[C@@H]1C[C@H]1F 2230a_100025746932_100011216630 [0,0,0,1,0,0|3,0,0]=4 3116 B11R1.288 CCCC(C)CN[C@@H]1C[C@H]1F 34a_100025746932_100011216630 [0,0,0,1,0,0|3,0,0]=4 3117 B11R1.288 CCCC(C)OCC1CC1C 34a_100000744939_100000766640 [0,0,0,1,0,0|2,0,0]=3 3118 B11R1.288 CCCC(C)OCC1CC1C 7a_100000744939_100000766640 [0,0,0,1,0,0|2,0,0]=3 3119 B11R1.288 COCC(C)OCC1CC1C 34a_100000744939_100000765312 [0,0,0,1,0,0|3,0,0]=4 3120 B11R1.288 COCC(C)OCC1CC1C 7a_100000744939_100000765312 [0,0,0,1,0,0|3,0,0]=4 3121 B11R1.290 C#CCC(C)OCCC1CC1 34a_100000685586_100000694398 [0,0,0,1,0,0|2,0,1]=4 3122 B11R1.290 C#CCC(C)OCCC1CC1 7a_100000685586_100000764125 [0,0,0,1,0,0|2,0,1]=4 3123 B11R1.290 C=CCC(C)COCC1CC1 34a_100009832082_100000742324 [0,0,0,1,0,0|2,0,1]=4 3124 B11R1.290 C=CCC(C)COCC1CC1 7a_100009832082_100000742324 [0,0,0,1,0,0|2,0,1]=4 3125 B11R1.290 C=CC[C@@H](C)OCCC1CC1 34a_100000731007_100000694398 [0,0,0,1,0,0|2,0,1]=4 3126 B11R1.290 C=CC[C@@H](C)OCCC1CC1 7a_100000731007_100000764125 [0,0,0,1,0,0|2,0,1]=4 3127 B11R1.290 CC(CC#N)OCCC1CC1 7a_100000754188_100009813641 [0,0,0,1,0,0|2,0,1]=4 3128 B11R1.290 CC(CC#N)SCCC1CC1 62a_100000764125_100009813641 [0,0,0,1,0,0|2,0,1]=4 3129 B11R1.290 CC(CC#N)SCCC1CC1 62a_100009813641_100000764125 [0,0,0,1,0,0|2,0,1]=4 3130 B11R1.290 CC(CCBr)OCCC1CC1 34a_100012276601_100000694398 [0,0,0,1,0,0|2,0,0]=3 3131 B11R1.290 CC(CCBr)OCCC1CO1 34a_100012276601_100000732470 [0,0,0,1,0,0|3,0,0]=4 3132 B11R1.290 CC(CCN)COCC1CC1 34a_106354213184_100000742324 [0,0,0,1,0,0|2,0,0]=3 3133 B11R1.290 CC(CCN)COCC1CO1 34a_106354213184_102125554688 [0,0,0,1,0,0|3,0,0]=4 3134 B11R1.290 CC(CCO)NCCC1CC1 34a_100000764129_100009893172 [0,0,0,1,0,0|1,0,0]=2 3135 B11R1.290 CC(CCO)OCCC1CC1 34a_100000754188_100009893172 [0,0,0,1,0,0|1,0,0]=2 3136 B11R1.290 CC(CCO)OCCC1CC1 7a_100000754188_100009893172 [0,0,0,1,0,0|1,0,0]=2 3137 B11R1.290 CC(CCO)OCC[C@@H]1CO1 34a_100009820653_100009893172 [0,0,0,1,0,0|2,0,0]=3 3138 B11R1.290 CC(CCO)SCCC1CC1 62a_100000764125_100009893172 [0,0,0,1,0,0|1,0,0]=2 3139 B11R1.290 CC(CCO)SCCC1CC1 62a_100009893172_100000764125 [0,0,0,1,0,0|1,0,0]=2 3140 B11R1.290 CC(CCO)SCCC1CO1 62a_100000732470_100009893172 [0,0,0,1,0,0|2,0,0]=3 3141 B11R1.290 CC(CCO)SCCC1CO1 62a_100009893172_100000732470 [0,0,0,1,0,0|2,0,0]=3 3142 B11R1.290 CCCC(C)CCOC1CC1 34a_100011217855_100000211595 [0,0,0,1,0,0|2,0,0]=3 3143 B11R1.290 CCCC(C)CNCC1CC1 2230a_100000735609_100011216630 [0,0,0,1,0,0|2,0,0]=3 3144 B11R1.290 CCCC(C)CNCC1CC1 270004a_100000735609_100000243154 [0,0,0,1,0,0|2,0,0]=3 3145 B11R1.290 CCCC(C)CNCC1CC1 34a_100000735609_100011216630 [0,0,0,1,0,0|2,0,0]=3 3146 B11R1.290 CCCC(C)COCC1CC1 34a_100000211283_100011216630 [0,0,0,1,0,0|2,0,0]=3 3147 B11R1.290 CCCC(C)COCC1CC1 34a_100000688023_100000742324 [0,0,0,1,0,0|2,0,0]=3 3148 B11R1.290 CCCC(C)COCC1CC1 7a_100000688023_100000742324 [0,0,0,1,0,0|2,0,0]=3 3149 B11R1.290 CCCC(C)COCC1CO1 34a_100000688023_102125554688 [0,0,0,1,0,0|3,0,0]=4 3150 B11R1.290 CCCC(C)COCC1CO1 7a_100000688023_102125554688 [0,0,0,1,0,0|3,0,0]=4 3151 B11R1.290 CCCC(C)COCC1CS1 7a_100000688023_100000031435 [0,0,0,1,0,0|3,0,0]=4 3152 B11R1.290 CCCC(C)COC[C@@H]1CO1 34a_100000757423_100011216630 [0,0,0,1,0,0|3,0,0]=4 3153 B11R1.290 CCCC(C)COC[C@@H]1CO1 7a_100000688023_100000745022 [0,0,0,1,0,0|3,0,0]=4 3154 B11R1.290 CCCC(C)CSCC1CC1 62a_100000756562_100011216630 [0,0,0,1,0,0|2,0,0]=3 3155 B11R1.290 CCCC(C)CSCC1CC1 62a_100011216630_100000742324 [0,0,0,1,0,0|2,0,0]=3 3156 B11R1.290 CCCC(C)CSCC1CO1 62a_100011216630_102125554688 [0,0,0,1,0,0|3,0,0]=4 3157 B11R1.290 CCCC(C)CSCC1CO1 62a_102125554688_100011216630 [0,0,0,1,0,0|3,0,0]=4 3158 B11R1.290 CCCC(C)CSCC1CS1 62a_100000031435_100011216630 [0,0,0,1,0,0|3,0,0]=4 3159 B11R1.290 CCCC(C)CSCC1CS1 62a_100011216630_100000031435 [0,0,0,1,0,0|3,0,0]=4 3160 B11R1.290 CCCC(C)CSC[C@@H]1CO1 62a_100000745022_100011216630 [0,0,0,1,0,0|3,0,0]=4 3161 B11R1.290 CCCC(C)CSC[C@@H]1CO1 62a_100011216630_100000745022 [0,0,0,1,0,0|3,0,0]=4 3162 B11R1.290 CCCC(C)NCCC1CC1 2230a_100000741246_100000694398 [0,0,0,1,0,0|2,0,0]=3 3163 B11R1.290 CCCC(C)NCCC1CC1 270004a_100000764129_100000211909 [0,0,0,1,0,0|2,0,0]=3 3164 B11R1.290 CCCC(C)NCCC1CC1 34a_100000764129_100000766640 [0,0,0,1,0,0|2,0,0]=3 3165 B11R1.290 CCCC(C)NCCC1CO1 2230a_100000741246_100000732470 [0,0,0,1,0,0|3,0,0]=4 3166 B11R1.290 CCCC(C)OCCC1CC1 34a_100000754188_100000766640 [0,0,0,1,0,0|2,0,0]=3 3167 B11R1.290 CCCC(C)OCCC1CC1 34a_100000764384_100000694398 [0,0,0,1,0,0|2,0,0]=3 3168 B11R1.290 CCCC(C)OCCC1CC1 7a_100000754188_100000766640 [0,0,0,1,0,0|2,0,0]=3 3169 B11R1.290 CCCC(C)OCCC1CC1 7a_100000764384_100000764125 [0,0,0,1,0,0|2,0,0]=3 3170 B11R1.290 CCCC(C)OCCC1CO1 34a_100000764384_100000732470 [0,0,0,1,0,0|3,0,0]=4 3171 B11R1.290 CCCC(C)OCCC1CO1 7a_100000764384_100000732470 [0,0,0,1,0,0|3,0,0]=4 3172 B11R1.290 CCCC(C)OCC[C@@H]1CO1 34a_100009820653_100000766640 [0,0,0,1,0,0|3,0,0]=4 3173 B11R1.290 CCCC(C)SCCC1CC1 62a_100000764125_100000766640 [0,0,0,1,0,0|2,0,0]=3 3174 B11R1.290 CCCC(C)SCCC1CC1 62a_100000766640_100000764125 [0,0,0,1,0,0|2,0,0]=3 3175 B11R1.290 CCCC(C)SCCC1CO1 62a_100000732470_100000766640 [0,0,0,1,0,0|3,0,0]=4 3176 B11R1.290 CCCC(C)SCCC1CO1 62a_100000766640_100000732470 [0,0,0,1,0,0|3,0,0]=4 3177 B11R1.290 CCCN(C)CCCC1CO1 2230a_100000747261_100000733510 [0,0,0,1,0,0|3,0,0]=4 3178 B11R1.290 CCCN(C)CCCC1CO1 269982a_100000747261_100000733510 [0,0,0,1,0,0|3,0,0]=4 3179 B11R1.290 CCC[C@H](N)CCOC1CC1 34a_100015193777_100000211595 [0,0,0,1,0,0|3,0,0]=4 3180 B11R1.290 CCC[C@H](N)COCC1CC1 34a_100000732646_100000742324 [0,0,0,1,0,0|3,0,0]=4 3181 B11R1.290 CN(CC#CC1CC1)CCO 2230a_100000210263_100009895102 [0,0,0,1,0,0|1,0,2]=4 3182 B11R1.290 CN(CC#CC1CC1)CCO 269982a_100000210263_100009895102 [0,0,0,1,0,0|1,0,2]=4 3183 B11R1.290 CN(CCO)CCCC1CO1 2230a_100000210263_100000733510 [0,0,0,1,0,0|2,0,0]=3 3184 B11R1.290 CN(CCO)CCCC1CO1 269982a_100000210263_100000733510 [0,0,0,1,0,0|2,0,0]=3 3185 B11R1.290 COCC(C)NCCC1CC1 270004a_100000764129_100000749346 [0,0,0,1,0,0|3,0,0]=4 3186 B11R1.290 COCC(C)NCCC1CC1 34a_100000764129_100000765312 [0,0,0,1,0,0|3,0,0]=4 3187 B11R1.290 COCC(C)OCCC1CC1 34a_100000754188_100000765312 [0,0,0,1,0,0|3,0,0]=4 3188 B11R1.290 COCC(C)OCCC1CC1 7a_100000754188_100000765312 [0,0,0,1,0,0|3,0,0]=4 3189 B11R1.290 COCC(C)SCCC1CC1 62a_100000764125_100000765312 [0,0,0,1,0,0|3,0,0]=4 3190 B11R1.290 COCC(C)SCCC1CC1 62a_100000765312_100000764125 [0,0,0,1,0,0|3,0,0]=4 3191 B11R1.290 COC[C@@H](C)NCCC1CC1 2230a_100000764878_100000694398 [0,0,0,1,0,0|3,0,0]=4 3192 B11R1.290 COC[C@@H](C)OCCC1CC1 34a_100011934205_100000694398 [0,0,0,1,0,0|3,0,0]=4 3193 B11R1.290 CSCC(C)NCCC1CC1 270004a_100000764129_100011216314 [0,0,0,1,0,0|3,0,0]=4 3194 B11R1.290 C[C@@H](CC#N)NCCC1CC1 2230a_100016994482_100000694398 [0,0,0,1,0,0|2,0,1]=4 3195 B11R1.290 C[C@H](CCO)NCCC1CC1 2230a_100000706166_100000694398 [0,0,0,1,0,0|1,0,0]=2 3196 B11R1.290 C[C@H](CCO)NCCC1CC1 34a_100000706166_100000694398 [0,0,0,1,0,0|1,0,0]=2 3197 B11R1.290 C[C@H](CCO)NCCC1CO1 2230a_100000706166_100000732470 [0,0,0,1,0,0|2,0,0]=3 3198 B11R1.290 C[C@H](CCO)NCCC1CO1 34a_100000706166_100000732470 [0,0,0,1,0,0|2,0,0]=3 3199 B11R1.290 O=C(CCO)CCCC1CO1 1458a_100011216618_100000733510 [0,0,0,1,0,0|2,0,1]=4 3200 B11R1.290 O=C(CCO)CSCC1CC1 1458a_200011316215_100000211926 [0,0,0,1,0,0|2,0,1]=4 3201 B11R1.290 O=C(CCO)NCCC1CC1 240690a_100000764129_100011216618 [0,0,0,1,0,0|2,0,1]=4 3202 B11R1.342 C#CCN1CCCC(C1)(C)C 2230a_100000716857_100000038162 [0,0,0,1,0,0|2,0,1]=4 3203 B11R1.342 C#CCN1CCCC(C1)(C)C 34a_100000716857_100000184674 [0,0,0,1,0,0|2,0,1]=4 3204 B11R1.342 C=CCN1CCCC(C1)(C)C 2230a_100000716857_100000210623 [0,0,0,1,0,0|2,0,1]=4 3205 B11R1.342 C=CCN1CCCC(C1)(C)C 269982a_100000716857_100000210623 [0,0,0,1,0,0|2,0,1]=4 3206 B11R1.342 C=CCN1CCCC(C1)(C)C 34a_100000716857_100015514636 [0,0,0,1,0,0|2,0,1]=4 3207 B11R1.342 CC1(CC(CCO1)OCF)C 34a_100000693217_100015361967 [0,0,0,1,0,0|3,0,0]=4 3208 B11R1.342 CC1(CC(CCO1)OCF)C 7a_100000693217_100015361967 [0,0,0,1,0,0|3,0,0]=4 3209 B11R1.342 CC1(CC(CCO1)SCF)C 62a_100010191092_100015361967 [0,0,0,1,0,0|3,0,0]=4 3210 B11R1.342 CC1(CC(CCO1)SCF)C 62a_100015361967_100010191092 [0,0,0,1,0,0|3,0,0]=4 3211 B11R1.342 CC1(CCCC(C1)OCF)C 7a_100011995757_100015361967 [0,0,0,1,0,0|2,0,0]=3 3212 B11R1.342 CC1(CCCN(C1)CC#N)C 2230a_100000716857_100011215382 [0,0,0,1,0,0|2,0,1]=4 3213 B11R1.342 CC1(CCCN(C1)CC#N)C 269982a_100000716857_100011214920 [0,0,0,1,0,0|2,0,1]=4 3214 B11R1.342 CC1(CCCN(C1)CC=O)C 2230a_100000716857_200015260668 [0,0,0,1,0,0|1,0,2]=4 3215 B11R1.342 CC1(CCCN(C1)CC=O)C 269982a_100000716857_200015260668 [0,0,0,1,0,0|1,0,2]=4 3216 B11R1.342 CC1(CCCN(C1)CC=O)C 34a_100000716857_200009817547 [0,0,0,1,0,0|1,0,2]=4 3217 B11R1.342 CC1(CCCN(C1)CCF)C 2230a_100000716857_100011217306 [0,0,0,1,0,0|2,0,0]=3 3218 B11R1.342 CC1(CCCN(C1)CCF)C 269982a_100000716857_100011217306 [0,0,0,1,0,0|2,0,0]=3 3219 B11R1.342 CC1(CCCN(C1)CCF)C 34a_100000716857_100011217306 [0,0,0,1,0,0|2,0,0]=3 3220 B11R1.342 CC1(CCCN(C1)CCF)O 2230a_100000695535_100011217306 [0,0,0,1,0,0|3,0,0]=4 3221 B11R1.342 CC1(CCCN(C1)CCF)O 269982a_100000695535_100011217306 [0,0,0,1,0,0|3,0,0]=4 3222 B11R1.342 CC1(CCCN(C1)CCO)C 2230a_100000716857_100000211926 [0,0,0,1,0,0|1,0,0]=2 3223 B11R1.342 CC1(CCCN(C1)CCO)C 269982a_100000716857_100000211926 [0,0,0,1,0,0|1,0,0]=2 3224 B11R1.342 CC1(CCCN(C1)CCO)C 34a_100000716857_100000211926 [0,0,0,1,0,0|1,0,0]=2 3225 B11R1.342 CC1(CCCN(C1)CCO)O 2230a_100000695535_100000211926 [0,0,0,1,0,0|2,0,0]=3 3226 B11R1.342 CC1(CCCN(C1)CCO)O 269982a_100000695535_100000211926 [0,0,0,1,0,0|2,0,0]=3 3227 B11R1.342 CC1(CN(CCO1)CCF)C 2230a_100000738910_100011217306 [0,0,0,1,0,0|3,0,0]=4 3228 B11R1.342 CC1(CN(CCO1)CCF)C 269982a_100000738910_100011217306 [0,0,0,1,0,0|3,0,0]=4 3229 B11R1.342 CC1(CN(CCO1)CCF)C 34a_100000738910_100011217306 [0,0,0,1,0,0|3,0,0]=4 3230 B11R1.342 CC1(CN(CCO1)CCO)C 2230a_100000738910_100000211926 [0,0,0,1,0,0|2,0,0]=3 3231 B11R1.342 CC1(CN(CCO1)CCO)C 269982a_100000738910_100000211926 [0,0,0,1,0,0|2,0,0]=3 3232 B11R1.342 CC1(CN(CCO1)CCO)C 34a_100000738910_100000211926 [0,0,0,1,0,0|2,0,0]=3 3233 B11R1.342 CCCN1CCCC(C1)(C)C 2230a_100000716857_100000210303 [0,0,0,1,0,0|2,0,0]=3 3234 B11R1.342 CCCN1CCCC(C1)(C)C 269982a_100000716857_100000210303 [0,0,0,1,0,0|2,0,0]=3 3235 B11R1.342 CCCN1CCCC(C1)(C)C 34a_100000716857_100000210303 [0,0,0,1,0,0|2,0,0]=3 3236 B11R1.342 CCCN1CCCC(C1)(C)O 2230a_100000695535_100000210303 [0,0,0,1,0,0|3,0,0]=4 3237 B11R1.342 CCCN1CCCC(C1)(C)O 269982a_100000695535_100000210303 [0,0,0,1,0,0|3,0,0]=4 3238 B11R1.342 CCCN1CCOC(C1)(C)C 2230a_100000738910_100000210303 [0,0,0,1,0,0|3,0,0]=4 3239 B11R1.342 CCCN1CCOC(C1)(C)C 269982a_100000738910_100000210303 [0,0,0,1,0,0|3,0,0]=4 3240 B11R1.342 CCCN1CCOC(C1)(C)C 34a_100000738910_100000210303 [0,0,0,1,0,0|3,0,0]=4 3241 B11R1.342 CCNC1CCCC(C1)(C)C 270004a_100015525214_100000031663 [0,0,0,1,0,0|2,0,0]=3 3242 B11R1.342 CCNC1CCNC(C1)(C)C 270004a_100015525214_100015191244 [0,0,0,1,0,0|3,0,0]=4 3243 B11R1.342 CCNC1CCOC(C1)(C)C 2230a_100000696200_100000210202 [0,0,0,1,0,0|3,0,0]=4 3244 B11R1.342 CCNC1CCOC(C1)(C)C 270004a_100015525214_100000755756 [0,0,0,1,0,0|3,0,0]=4 3245 B11R1.342 CCOC1CCCC(C1)(C)C 7a_100011995757_100000210202 [0,0,0,1,0,0|2,0,0]=3 3246 B11R1.342 CCOC1CCOC(C1)(C)C 34a_100000693217_100000210202 [0,0,0,1,0,0|3,0,0]=4 3247 B11R1.342 CCOC1CCOC(C1)(C)C 34a_100121572206_100010191092 [0,0,0,1,0,0|3,0,0]=4 3248 B11R1.342 CCOC1CCOC(C1)(C)C 7a_100000693217_100000210202 [0,0,0,1,0,0|3,0,0]=4 3249 B11R1.342 CCSC1CCOC(C1)(C)C 62a_100000210202_100010191092 [0,0,0,1,0,0|3,0,0]=4 3250 B11R1.342 CCSC1CCOC(C1)(C)C 62a_100010191092_100000210202 [0,0,0,1,0,0|3,0,0]=4 3251 B11R1.342 CNCC1CCOC(C1)(C)C 269862a_106832991636_100011361580 [0,0,0,1,0,0|3,0,0]=4 3252 B11R1.342 CNCC1CCOC(C1)(C)C 270004a_106832991635_100011361580 [0,0,0,1,0,0|3,0,0]=4 3253 B11R1.342 COCN1CCCC(C1)(C)C 2230a_100000716857_100000766300 [0,0,0,1,0,0|3,0,0]=4 3254 B11R1.342 COCN1CCCC(C1)(C)C 269982a_100000716857_100000766300 [0,0,0,1,0,0|3,0,0]=4 3255 B11R1.342 CSCN1CCCC(C1)(C)C 2230a_100000716857_100011218213 [0,0,0,1,0,0|3,0,0]=4 3256 B11R1.342 CSCN1CCCC(C1)(C)C 269982a_100000716857_100011218213 [0,0,0,1,0,0|3,0,0]=4 3257 B11R1.342 CSCN1CCCC(C1)(C)C 34a_100000716857_100011218213 [0,0,0,1,0,0|3,0,0]=4 3258 B11R1.342 OCCN1CCCC(C1)(F)F 2230a_100000732682_100000211926 [0,0,0,1,0,0|3,0,0]=4 3259 B11R1.342 OCCN1CCCC(C1)(F)F 269982a_100000732682_100000211926 [0,0,0,1,0,0|3,0,0]=4 3260 B11R1.342 OCCN1CCCC(C1)(F)F 34a_100000732682_100000211926 [0,0,0,1,0,0|3,0,0]=4 3261 B11R1.565 CC(C)N1CCCC(CC1)O 2230a_100015186869_100000210206 [0,0,0,1,0,0|3,0,0]=4 3262 B11R1.565 CC(C)N1CCCC(CC1)O 269982a_100015186869_100000210206 [0,0,0,1,0,0|3,0,0]=4 3263 B11R1.565 CC(C)N1CCCN(CC1)C 2230a_100000211313_100000210206 [0,0,0,1,0,0|3,0,0]=4 3264 B11R1.565 CC(C)N1CCCN(CC1)C 269982a_100000211313_100000210206 [0,0,0,1,0,0|3,0,0]=4 3265 B11R1.565 CC1CCCN(CC1)C(C)C 2230a_100025706717_100000210206 [0,0,0,1,0,0|2,0,0]=3 3266 B11R1.565 CC1CCCN(CC1)C(C)C 269982a_100025706717_100000210206 [0,0,0,1,0,0|2,0,0]=3 3267 B11R1.565 CC1CCCN(CC1)C(C)C 34a_100025706717_100000210206 [0,0,0,1,0,0|2,0,0]=3 3268 B11R1.720 CC(=CCNC(C)C1CO1)C 270004a_100000718196_100000031964 [0,0,0,1,0,0|1,0,2]=4 3269 B11R1.720 CC(C)CCCC(=O)C1CC1 1458a_100000210395_100011214892 [0,0,0,1,0,0|2,0,1]=4 3270 B11R1.720 CC(C)CCCC(=O)C1CO1 1458a_100000701028_100011214892 [0,0,0,1,0,0|1,0,1]=3 3271 B11R1.720 CC(C)CCCN(C)C1CC1 2230a_100000226674_100011214892 [0,0,0,1,0,0|2,0,0]=3 3272 B11R1.720 CC(C)CCCN(C)C1CC1 269982a_100000226674_100011214892 [0,0,0,1,0,0|2,0,0]=3 3273 B11R1.720 CC(C)CCNC(=O)C1CO1 11a_100000210545_100000701028 [0,0,0,1,0,0|2,0,1]=4 3274 B11R1.720 CC(C)CCNC(=O)C1CO1 1626a_100000210545_100000701028 [0,0,0,1,0,0|2,0,1]=4 3275 B11R1.720 CC(C)CCNC(=O)C1CO1 240690a_100000210545_100000701028 [0,0,0,1,0,0|2,0,1]=4 3276 B11R1.720 CC(C)CCNC(=O)C1CO1 527a_100000210545_100000701028 [0,0,0,1,0,0|2,0,1]=4 3277 B11R1.720 CC(C)CCNC(C)C1CC1 2230a_100000700016_100000210312 [0,0,0,1,0,0|2,0,0]=3 3278 B11R1.720 CC(C)CCNC(C)C1CC1 269862a_100000210545_100000210639 [0,0,0,1,0,0|2,0,0]=3 3279 B11R1.720 CC(C)CCNC(C)C1CC1 269862a_100000700016_100000185833 [0,0,0,1,0,0|2,0,0]=3 3280 B11R1.720 CC(C)CCNC(C)C1CC1 34a_100000700016_100000210312 [0,0,0,1,0,0|2,0,0]=3 3281 B11R1.720 CC(C)CCNC(C)C1CO1 270004a_100000210545_100000031964 [0,0,0,1,0,0|1,0,0]=2 3282 B11R1.720 CC(C)CCOC(C)C1CC1 34a_100000744524_100000210312 [0,0,0,1,0,0|2,0,0]=3 3283 B11R1.720 CC(C)CCOC(C)C1CC1 7a_100000744524_100000210626 [0,0,0,1,0,0|2,0,0]=3 3284 B11R1.720 CC(C)CNCC(O)C1CC1 2230a_100000751198_100000210760 [0,0,0,1,0,0|3,0,0]=4 3285 B11R1.720 CC(C)CNCC(O)C1CC1 270004a_100000751198_100000210432 [0,0,0,1,0,0|3,0,0]=4 3286 B11R1.720 CC(C)CNCC(O)C1CC1 34a_100000751198_100000210624 [0,0,0,1,0,0|3,0,0]=4 3287 B11R1.720 CC(C)COC[C@H](N)C1CC1 34a_100020623730_100000210624 [0,0,0,1,0,0|3,0,0]=4 3288 B11R1.720 CC(C)OCCC(=O)C1CO1 1458a_100000701028_100000211751 [0,0,0,1,0,0|2,0,1]=4 3289 B11R1.720 CC(C)OCCN(C)C1CC1 2230a_100000226674_100000211751 [0,0,0,1,0,0|3,0,0]=4 3290 B11R1.720 CC(C)OCCN(C)C1CC1 269982a_100000226674_100000211751 [0,0,0,1,0,0|3,0,0]=4 3291 B11R1.720 CC(C)OCNC(C)C1CC1 2230a_100000700016_100000709892 [0,0,0,1,0,0|3,0,0]=4 3292 B11R1.720 CC(C)OCNC(C)C1CC1 34a_100000700016_100000709892 [0,0,0,1,0,0|3,0,0]=4 3293 B11R1.720 CC(C)OCOC(C)C1CC1 34a_100000744524_100000709892 [0,0,0,1,0,0|3,0,0]=4 3294 B11R1.720 CC(C)SCCC(=O)C1CO1 1458a_100000701028_100000730970 [0,0,0,1,0,0|2,0,1]=4 3295 B11R1.720 CC(C)SCCN(C)C1CC1 2230a_100000226674_100000730970 [0,0,0,1,0,0|3,0,0]=4 3296 B11R1.720 CC(C)SCCN(C)C1CC1 269982a_100000226674_100000730970 [0,0,0,1,0,0|3,0,0]=4 3297 B11R1.720 CC(NCCN(C)C)C1CC1 269862a_100000210585_100000210639 [0,0,0,1,0,0|3,0,0]=4 3298 B11R1.720 CC(NCCN(C)C)C1CO1 270004a_100000210585_100000031964 [0,0,0,1,0,0|2,0,0]=3 3299 B11R1.720 CC(O)CCCC(=O)C1CO1 1458a_100000701028_200000718107 [0,0,0,1,0,0|2,0,1]=4 3300 B11R1.720 CC(O)CCCN(C)C1CC1 2230a_100000226674_200000718107 [0,0,0,1,0,0|3,0,0]=4 3301 B11R1.720 CC(O)CCCN(C)C1CC1 269982a_100000226674_200000718107 [0,0,0,1,0,0|3,0,0]=4 3302 B11R1.720 CC(O)CCNC(C)C1CC1 2230a_100000700016_100012276601 [0,0,0,1,0,0|3,0,0]=4 3303 B11R1.720 CC(O)CCNC(C)C1CC1 269862a_200000755665_100000210639 [0,0,0,1,0,0|3,0,0]=4 3304 B11R1.720 CC(O)CCNC(C)C1CC1 34a_100000700016_100012276601 [0,0,0,1,0,0|3,0,0]=4 3305 B11R1.720 CC(O)CCNC(C)C1CO1 270004a_200000755665_100000031964 [0,0,0,1,0,0|2,0,0]=3 3306 B11R1.720 CC(O)CCOC(C)C1CC1 34a_100000744524_100012276601 [0,0,0,1,0,0|3,0,0]=4 3307 B11R1.720 CC(O)CCOC(C)C1CC1 7a_100000744524_100012276601 [0,0,0,1,0,0|3,0,0]=4 3308 B11R1.720 CC(OCCN(C)C)C1CC1 7a_100000744524_100000755713 [0,0,0,1,0,0|3,0,0]=4 3309 B11R1.720 CN(C)CCCC(=O)C1CO1 1458a_100000701028_100000695564 [0,0,0,1,0,0|2,0,1]=4 3310 B11R1.720 CN(C)CCCN(C)C1CC1 269982a_100000225831_100000211595 [0,0,0,1,0,0|3,0,0]=4 3311 B11R1.720 CN(C)CCCN(C)C1CC1 269982a_100000226674_100000757444 [0,0,0,1,0,0|3,0,0]=4 3312 B11R1.839 CC(CCO)NC1CC1(F)F 2230a_100020610826_100009893172 [0,0,0,1,0,0|3,0,0]=4 3313 B11R1.839 CC(CCO)NC1CC1(F)F 34a_100020610826_100009893172 [0,0,0,1,0,0|3,0,0]=4 3314 B11R1.839 CN(CCO)CC1CC1(F)F 2230a_100000210263_100009817841 [0,0,0,1,0,0|3,0,0]=4 3315 B11R1.839 CN(CCO)CC1CC1(F)F 269982a_100000210263_100009817841 [0,0,0,1,0,0|3,0,0]=4 3316 B11R1.924 CC(Br)COCC1(CCC1)C 34a_100012180447_100000726658 [0,0,0,1,0,0|3,0,0]=4 3317 B11R1.924 CC(C)CCNC1(CCC1)C 2230a_100000692455_100000210312 [0,0,0,1,0,0|2,0,0]=3 3318 B11R1.924 CC(C)CCNC1(CCC1)C 34a_100000692455_100000210312 [0,0,0,1,0,0|2,0,0]=3 3319 B11R1.924 CC(C)CCNC1(COC1)C 2230a_100000732644_100000210312 [0,0,0,1,0,0|3,0,0]=4 3320 B11R1.924 CC(C)CCOC1(CCC1)C 34a_100000759064_100000210312 [0,0,0,1,0,0|2,0,0]=3 3321 B11R1.924 CC(C)CCOC1(CCC1)C 7a_100000759064_100000210626 [0,0,0,1,0,0|2,0,0]=3 3322 B11R1.924 CC(C)CCOC1(CSC1)C 7a_100016018533_100000210626 [0,0,0,1,0,0|3,0,0]=4 3323 B11R1.924 CC(C)CNCC1(CCC1)C 2230a_100000210953_100000726658 [0,0,0,1,0,0|2,0,0]=3 3324 B11R1.924 CC(C)CNCC1(CCC1)C 2230a_100000706607_100000210760 [0,0,0,1,0,0|2,0,0]=3 3325 B11R1.924 CC(C)CNCC1(CCC1)C 270004a_100000706607_100000210432 [0,0,0,1,0,0|2,0,0]=3 3326 B11R1.924 CC(C)CNCC1(CCC1)C 34a_100000210953_100000726658 [0,0,0,1,0,0|2,0,0]=3 3327 B11R1.924 CC(C)CNCC1(CCC1)O 2230a_100000752638_100000210760 [0,0,0,1,0,0|3,0,0]=4 3328 B11R1.924 CC(C)CNCC1(CCC1)O 270004a_100000752638_100000210432 [0,0,0,1,0,0|3,0,0]=4 3329 B11R1.924 CC(C)CNCC1(COC1)C 2230a_100000210953_100000066812 [0,0,0,1,0,0|3,0,0]=4 3330 B11R1.924 CC(C)CNCC1(COC1)C 2230a_100020631278_100000210760 [0,0,0,1,0,0|3,0,0]=4 3331 B11R1.924 CC(C)CNCC1(COC1)C 269862a_100000210953_100000050806 [0,0,0,1,0,0|3,0,0]=4 3332 B11R1.924 CC(C)CNCC1(COC1)C 270004a_100020631278_100000210432 [0,0,0,1,0,0|3,0,0]=4 3333 B11R1.924 CC(C)CNCC1(COC1)C 34a_100000210953_100009817586 [0,0,0,1,0,0|3,0,0]=4 3334 B11R1.924 CC(C)COCC1(CCC1)C 34a_100000210257_100000726658 [0,0,0,1,0,0|2,0,0]=3 3335 B11R1.924 CC(C)COCC1(COC1)C 34a_100000210257_100009817586 [0,0,0,1,0,0|3,0,0]=4 3336 B11R1.924 CC(C)COCC1(CSC1)C 34a_100000732658_100000210624 [0,0,0,1,0,0|3,0,0]=4 3337 B11R1.924 CC(C)COCC1(CSC1)C 7a_100000732658_100000210760 [0,0,0,1,0,0|3,0,0]=4 3338 B11R1.924 CC(C)CSCC1(CCC1)C 62a_100000210624_100000726658 [0,0,0,1,0,0|2,0,0]=3 3339 B11R1.924 CC(C)CSCC1(CCC1)C 62a_100000726658_100000210760 [0,0,0,1,0,0|2,0,0]=3 3340 B11R1.924 CC(C)CSCC1(COC1)C 62a_100000210624_100009817586 [0,0,0,1,0,0|3,0,0]=4 3341 B11R1.924 CC(C)CSCC1(COC1)C 62a_100009817586_100000210760 [0,0,0,1,0,0|3,0,0]=4 3342 B11R1.924 CC(C)OCNC1(CCC1)C 2230a_100000692455_100000709892 [0,0,0,1,0,0|3,0,0]=4 3343 B11R1.924 CC(C)OCNC1(CCC1)C 34a_100000692455_100000709892 [0,0,0,1,0,0|3,0,0]=4 3344 B11R1.924 CC(C)OCOC1(CCC1)C 34a_100000759064_100000709892 [0,0,0,1,0,0|3,0,0]=4 3345 B11R1.924 CC(F)COCC1(CCC1)C 34a_100015925927_100000726658 [0,0,0,1,0,0|3,0,0]=4 3346 B11R1.924 CC(O)CCNC1(CCC1)C 2230a_100000692455_100012276601 [0,0,0,1,0,0|3,0,0]=4 3347 B11R1.924 CC(O)CCNC1(CCC1)C 34a_100000692455_100012276601 [0,0,0,1,0,0|3,0,0]=4 3348 B11R1.924 CC(O)CCOC1(CCC1)C 34a_100000759064_100012276601 [0,0,0,1,0,0|3,0,0]=4 3349 B11R1.924 CC(O)CCOC1(CCC1)C 7a_100000759064_100012276601 [0,0,0,1,0,0|3,0,0]=4 3350 B11R1.924 CC(O)CNCC1(CCC1)C 2230a_100000210904_100000726658 [0,0,0,1,0,0|3,0,0]=4 3351 B11R1.924 CC(O)CNCC1(CCC1)C 2230a_100000706607_100011218427 [0,0,0,1,0,0|3,0,0]=4 3352 B11R1.924 CC(O)CNCC1(CCC1)C 34a_100000210904_100000726658 [0,0,0,1,0,0|3,0,0]=4 3353 B11R1.924 CC(O)CSCC1(CCC1)C 62a_100000726658_100011218427 [0,0,0,1,0,0|3,0,0]=4 3354 B11R1.924 CC(O)CSCC1(CCC1)C 62a_100011218427_100000726658 [0,0,0,1,0,0|3,0,0]=4 3355 B11R1.924 CN(C)CCOC1(CCC1)C 7a_100000759064_100000755713 [0,0,0,1,0,0|3,0,0]=4 3356 B11R1.924 C[C@@H](Cl)COCC1(CCC1)C 34a_100016084084_100000726658 [0,0,0,1,0,0|3,0,0]=4 3357 B11R1.924 C[C@@H](N)COCC1(CCC1)C 34a_100000737577_100000726658 [0,0,0,1,0,0|3,0,0]=4 3358 B11R1.924 C[C@@H](O)CNCC1(CCC1)C 2230a_100000706607_100009817552 [0,0,0,1,0,0|3,0,0]=4 3359 B11R1.924 C[C@@H](O)CSCC1(CCC1)C 62a_100000726658_100009817552 [0,0,0,1,0,0|3,0,0]=4 3360 B11R1.924 C[C@@H](O)CSCC1(CCC1)C 62a_100009817552_100000726658 [0,0,0,1,0,0|3,0,0]=4 3361 B11R1.1251 COCC1(CCCN(C1)C)C 2230a_106629247831_200000210301 [0,0,0,1,0,0|3,0,0]=4 3362 B11R1.1251 COCC1(CCCN(C1)C)C 269982a_106629247831_200000210301 [0,0,0,1,0,0|3,0,0]=4 3363 B11R1.1251 COCC1(CCCN(C1)[13CH3])C 2230a_106629247831_200025704644 [0,0,0,1,0,0|3,0,0]=4 3364 B11R1.1251 COCC1(CCCN(C1)[13CH3])C 269982a_106629247831_200025704644 [0,0,0,1,0,0|3,0,0]=4 3365 B9R0.48 C#CCC(C)OCC(C)C 34a_100000685586_100000210624 [0,0,0,0,1,0|2,0,1]=4 3366 B9R0.48 C#CCC(C)OCC(C)C 7a_100000685586_100000210760 [0,0,0,0,1,0|2,0,1]=4 3367 B9R0.48 C#CCN(C)CCC(C)C 2230a_100000225692_100000210312 [0,0,0,0,1,0|2,0,1]=4 3368 B9R0.48 C#CCN(C)CCC(C)C 2230a_100000742789_100000038162 [0,0,0,0,1,0|2,0,1]=4 3369 B9R0.48 C#CCN(C)CCC(C)C 34a_100000225692_100000210312 [0,0,0,0,1,0|2,0,1]=4 3370 B9R0.48 C=C(C)CCN(C)CCO 2230a_100000210263_100000730704 [0,0,0,0,1,0|1,0,2]=4 3371 B9R0.48 C=C(C)CCN(C)CCO 269982a_100000210263_100000730704 [0,0,0,0,1,0|1,0,2]=4 3372 B9R0.48 C=C(C)CN[C@H](C)CCO 2230a_100000706166_100000748629 [0,0,0,0,1,0|1,0,2]=4 3373 B9R0.48 C=C(C)CN[C@H](C)CCO 34a_100000706166_100000748629 [0,0,0,0,1,0|1,0,2]=4 3374 B9R0.48 C=C(C)COC(C)CCO 34a_100000210245_100009893172 [0,0,0,0,1,0|1,0,2]=4 3375 B9R0.48 C=C(C)CSC(C)CCO 62a_100000748629_100009893172 [0,0,0,0,1,0|1,0,2]=4 3376 B9R0.48 C=C(C)CSC(C)CCO 62a_100009893172_100000211660 [0,0,0,0,1,0|1,0,2]=4 3377 B9R0.48 C=CCC(C)COC(C)C 34a_100009832082_100000210206 [0,0,0,0,1,0|2,0,1]=4 3378 B9R0.48 C=CCC(C)COC(C)C 7a_100009832082_100000210206 [0,0,0,0,1,0|2,0,1]=4 3379 B9R0.48 C=CCN(C)CCC(C)C 2230a_100000225617_100000210312 [0,0,0,0,1,0|2,0,1]=4 3380 B9R0.48 C=CCN(C)CCC(C)C 2230a_100000742789_100000210623 [0,0,0,0,1,0|2,0,1]=4 3381 B9R0.48 C=CCN(C)CCC(C)C 269982a_100000225617_100000210312 [0,0,0,0,1,0|2,0,1]=4 3382 B9R0.48 C=CCN(C)CCC(C)C 269982a_100000742789_100000210623 [0,0,0,0,1,0|2,0,1]=4 3383 B9R0.48 C=CC[C@@H](C)OCC(C)C 34a_100000731007_100000210624 [0,0,0,0,1,0|2,0,1]=4 3384 B9R0.48 C=CC[C@@H](C)OCC(C)C 7a_100000731007_100000210760 [0,0,0,0,1,0|2,0,1]=4 3385 B9R0.48 CC(=CCN(C)CCO)C 2230a_100000210263_100000761012 [0,0,0,0,1,0|1,0,2]=4 3386 B9R0.48 CC(=CCN(C)CCO)C 269982a_100000210263_100000761012 [0,0,0,0,1,0|1,0,2]=4 3387 B9R0.48 CC(=O)CCN(C)CCO 269982a_100000210263_100000053229 [0,0,0,0,1,0|2,0,1]=4 3388 B9R0.48 CC(=O)COC(C)CCO 34a_100000211253_100009893172 [0,0,0,0,1,0|2,0,1]=4 3389 B9R0.48 CC(Br)COC(C)CCO 34a_100012180447_100009893172 [0,0,0,0,1,0|2,0,0]=3 3390 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [0,0,0,0,1,0|2,0,1]=4 3391 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,0,0,0,1,0|1,0,1]=3 3392 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,0,0,0,1,0|1,0,1]=3 3393 B9R0.48 CC(C)CCC(C)OCF 34a_100011215350_100015361967 [0,0,0,0,1,0|2,0,0]=3 3394 B9R0.48 CC(C)CCC(C)OCF 7a_100011215350_100015361967 [0,0,0,0,1,0|2,0,0]=3 3395 B9R0.48 CC(C)CCC(C)SCF 62a_100011261404_100015361967 [0,0,0,0,1,0|2,0,0]=3 3396 B9R0.48 CC(C)CCC(C)SCF 62a_100015361967_100011261404 [0,0,0,0,1,0|2,0,0]=3 3397 B9R0.48 CC(C)CCN(C)CC#N 2230a_100000742789_100011215382 [0,0,0,0,1,0|2,0,1]=4 3398 B9R0.48 CC(C)CCN(C)CC#N 2230a_100000748184_100000210312 [0,0,0,0,1,0|2,0,1]=4 3399 B9R0.48 CC(C)CCN(C)CC#N 269982a_100000742789_100011214920 [0,0,0,0,1,0|2,0,1]=4 3400 B9R0.48 CC(C)CCN(C)CC=O 2230a_100000742789_200015260668 [0,0,0,0,1,0|1,0,2]=4 3401 B9R0.48 CC(C)CCN(C)CC=O 269982a_100000742789_200015260668 [0,0,0,0,1,0|1,0,2]=4 3402 B9R0.48 CC(C)CCN(C)CCF 2230a_100000742789_100011217306 [0,0,0,0,1,0|2,0,0]=3 3403 B9R0.48 CC(C)CCN(C)CCF 269982a_100000742789_100011217306 [0,0,0,0,1,0|2,0,0]=3 3404 B9R0.48 CC(C)CCN(C)CCO 2230a_100000210263_100000210312 [0,0,0,0,1,0|1,0,0]=2 3405 B9R0.48 CC(C)CCN(C)CCO 2230a_100000742789_100000211926 [0,0,0,0,1,0|1,0,0]=2 3406 B9R0.48 CC(C)CCN(C)CCO 269982a_100000210263_100000210312 [0,0,0,0,1,0|1,0,0]=2 3407 B9R0.48 CC(C)CCN(C)CCO 269982a_100000742789_100000211926 [0,0,0,0,1,0|1,0,0]=2 3408 B9R0.48 CC(C)CNC(=O)CCO 240690a_100000210953_100011216618 [0,0,0,0,1,0|2,0,1]=4 3409 B9R0.48 CC(C)CNC(C)CC#N 2230a_100000210953_100009813641 [0,0,0,0,1,0|2,0,1]=4 3410 B9R0.48 CC(C)CNC(C)CCO 2230a_100000210953_100009893172 [0,0,0,0,1,0|1,0,0]=2 3411 B9R0.48 CC(C)CNC(C)CCO 34a_100000210953_100009893172 [0,0,0,0,1,0|1,0,0]=2 3412 B9R0.48 CC(C)CN[C@@H](C)CC#N 2230a_100016994482_100000210760 [0,0,0,0,1,0|2,0,1]=4 3413 B9R0.48 CC(C)CN[C@H](C)CCO 2230a_100000706166_100000210760 [0,0,0,0,1,0|1,0,0]=2 3414 B9R0.48 CC(C)CN[C@H](C)CCO 270004a_100000706166_100000210432 [0,0,0,0,1,0|1,0,0]=2 3415 B9R0.48 CC(C)CN[C@H](C)CCO 34a_100000706166_100000210624 [0,0,0,0,1,0|1,0,0]=2 3416 B9R0.48 CC(C)COC(C)CCBr 34a_100012276601_100000210624 [0,0,0,0,1,0|2,0,0]=3 3417 B9R0.48 CC(C)COC(C)CCO 34a_100000210257_100009893172 [0,0,0,0,1,0|1,0,0]=2 3418 B9R0.48 CC(C)CSC(C)CC#N 62a_100000210624_100009813641 [0,0,0,0,1,0|2,0,1]=4 3419 B9R0.48 CC(C)CSC(C)CC#N 62a_100009813641_100000210760 [0,0,0,0,1,0|2,0,1]=4 3420 B9R0.48 CC(C)CSC(C)CCO 62a_100000210624_100009893172 [0,0,0,0,1,0|1,0,0]=2 3421 B9R0.48 CC(C)CSC(C)CCO 62a_100009893172_100000210760 [0,0,0,0,1,0|1,0,0]=2 3422 B9R0.48 CC(C)OCC(=O)CCO 1458a_100000745533_100000211926 [0,0,0,0,1,0|2,0,1]=4 3423 B9R0.48 CC(C)OCN(C)CCO 2230a_100000210263_100000709892 [0,0,0,0,1,0|2,0,0]=3 3424 B9R0.48 CC(C)OCN(C)CCO 269982a_100000210263_100000709892 [0,0,0,0,1,0|2,0,0]=3 3425 B9R0.48 CC(C)SCC(=O)CCO 1458a_100000241585_100000211926 [0,0,0,0,1,0|2,0,1]=4 3426 B9R0.48 CC(CCBr)OC[C@@H](C)O 34a_100012276601_100009817552 [0,0,0,0,1,0|3,0,0]=4 3427 B9R0.48 CC(CCN)COC(C)C 34a_106354213184_100000210206 [0,0,0,0,1,0|2,0,0]=3 3428 B9R0.48 CC(CCO)NCC(F)F 34a_100000765723_100009893172 [0,0,0,0,1,0|3,0,0]=4 3429 B9R0.48 CC(CCO)OCC(F)F 34a_100000743014_100009893172 [0,0,0,0,1,0|3,0,0]=4 3430 B9R0.48 CC(CCO)OC[C@@H](C)Cl 34a_100016084084_100009893172 [0,0,0,0,1,0|2,0,0]=3 3431 B9R0.48 CC(CCO)OC[C@@H](C)N 34a_100000737577_100009893172 [0,0,0,0,1,0|2,0,0]=3 3432 B9R0.48 CC(CCO)SCC(F)F 62a_100009893172_100011934356 [0,0,0,0,1,0|3,0,0]=4 3433 B9R0.48 CC(CCO)SCC(F)F 62a_100011934356_100009893172 [0,0,0,0,1,0|3,0,0]=4 3434 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009817552_100009893172 [0,0,0,0,1,0|2,0,0]=3 3435 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009893172_100009817552 [0,0,0,0,1,0|2,0,0]=3 3436 B9R0.48 CC(F)COC(C)CCO 34a_100015925927_100009893172 [0,0,0,0,1,0|2,0,0]=3 3437 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,0,0,0,1,0|2,0,1]=4 3438 B9R0.48 CC(O)CCN(C)CCO 2230a_100000210263_100012276601 [0,0,0,0,1,0|2,0,0]=3 3439 B9R0.48 CC(O)CCN(C)CCO 269982a_100000210263_100012276601 [0,0,0,0,1,0|2,0,0]=3 3440 B9R0.48 CC(O)CNC(C)CCO 2230a_100000210904_100009893172 [0,0,0,0,1,0|2,0,0]=3 3441 B9R0.48 CC(O)CNC(C)CCO 34a_100000210904_100009893172 [0,0,0,0,1,0|2,0,0]=3 3442 B9R0.48 CC(O)CN[C@H](C)CCO 2230a_100000706166_100011218427 [0,0,0,0,1,0|2,0,0]=3 3443 B9R0.48 CC(O)CN[C@H](C)CCO 34a_100000706166_100011218427 [0,0,0,0,1,0|2,0,0]=3 3444 B9R0.48 CC(O)COC(C)CCBr 34a_100012276601_100011218427 [0,0,0,0,1,0|3,0,0]=4 3445 B9R0.48 CC(O)CSC(C)CCO 62a_100009893172_100011218427 [0,0,0,0,1,0|2,0,0]=3 3446 B9R0.48 CC(O)CSC(C)CCO 62a_100011218427_100009893172 [0,0,0,0,1,0|2,0,0]=3 3447 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,0,0,0,1,0|2,0,1]=4 3448 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,0,0,0,1,0|2,0,1]=4 3449 B9R0.48 CCCC(C)CNC(C)C 2230a_100138425928_100011216630 [0,0,0,0,1,0|2,0,0]=3 3450 B9R0.48 CCCC(C)CNC(C)C 34a_100138425928_100011216630 [0,0,0,0,1,0|2,0,0]=3 3451 B9R0.48 CCCC(C)COC(C)C 34a_100000212225_100011216630 [0,0,0,0,1,0|2,0,0]=3 3452 B9R0.48 CCCC(C)COC(C)C 34a_100000688023_100000210206 [0,0,0,0,1,0|2,0,0]=3 3453 B9R0.48 CCCC(C)COC(C)C 7a_100000688023_100000210206 [0,0,0,0,1,0|2,0,0]=3 3454 B9R0.48 CCCC(C)CSC(C)C 62a_100000210206_100011216630 [0,0,0,0,1,0|2,0,0]=3 3455 B9R0.48 CCCC(C)CSC(C)C 62a_100011216630_100000210206 [0,0,0,0,1,0|2,0,0]=3 3456 B9R0.48 CCCC(C)NCC(C)C 2230a_100000210953_100000766640 [0,0,0,0,1,0|2,0,0]=3 3457 B9R0.48 CCCC(C)NCC(C)C 2230a_100000741246_100000210760 [0,0,0,0,1,0|2,0,0]=3 3458 B9R0.48 CCCC(C)NCC(C)C 270004a_100000210953_100000211909 [0,0,0,0,1,0|2,0,0]=3 3459 B9R0.48 CCCC(C)NCC(C)C 270004a_100000741246_100000210432 [0,0,0,0,1,0|2,0,0]=3 3460 B9R0.48 CCCC(C)NCC(C)C 34a_100000210953_100000766640 [0,0,0,0,1,0|2,0,0]=3 3461 B9R0.48 CCCC(C)NCC(C)O 2230a_100000210904_100000766640 [0,0,0,0,1,0|3,0,0]=4 3462 B9R0.48 CCCC(C)NCC(C)O 2230a_100000741246_100011218427 [0,0,0,0,1,0|3,0,0]=4 3463 B9R0.48 CCCC(C)NCC(C)O 270004a_100000210904_100000211909 [0,0,0,0,1,0|3,0,0]=4 3464 B9R0.48 CCCC(C)NCC(C)O 34a_100000210904_100000766640 [0,0,0,0,1,0|3,0,0]=4 3465 B9R0.48 CCCC(C)NC[C@@H](C)O 2230a_100000741246_100009817552 [0,0,0,0,1,0|3,0,0]=4 3466 B9R0.48 CCCC(C)OCC(C)Br 34a_100012180447_100000766640 [0,0,0,0,1,0|3,0,0]=4 3467 B9R0.48 CCCC(C)OCC(C)C 34a_100000210257_100000766640 [0,0,0,0,1,0|2,0,0]=3 3468 B9R0.48 CCCC(C)OCC(C)C 34a_100000764384_100000210624 [0,0,0,0,1,0|2,0,0]=3 3469 B9R0.48 CCCC(C)OCC(C)C 7a_100000764384_100000210760 [0,0,0,0,1,0|2,0,0]=3 3470 B9R0.48 CCCC(C)OCC(C)F 34a_100015925927_100000766640 [0,0,0,0,1,0|3,0,0]=4 3471 B9R0.48 CCCC(C)OCC(C)O 34a_100000764384_100011218427 [0,0,0,0,1,0|3,0,0]=4 3472 B9R0.48 CCCC(C)OCC(C)O 7a_100000764384_100011218427 [0,0,0,0,1,0|3,0,0]=4 3473 B9R0.48 CCCC(C)OC[C@@H](C)Cl 34a_100016084084_100000766640 [0,0,0,0,1,0|3,0,0]=4 3474 B9R0.48 CCCC(C)OC[C@@H](C)N 34a_100000737577_100000766640 [0,0,0,0,1,0|3,0,0]=4 3475 B9R0.48 CCCC(C)OC[C@@H](C)O 34a_100000764384_100009817552 [0,0,0,0,1,0|3,0,0]=4 3476 B9R0.48 CCCC(C)OC[C@@H](C)O 7a_100000764384_100009817552 [0,0,0,0,1,0|3,0,0]=4 3477 B9R0.48 CCCC(C)SCC(C)C 62a_100000210624_100000766640 [0,0,0,0,1,0|2,0,0]=3 3478 B9R0.48 CCCC(C)SCC(C)C 62a_100000766640_100000210760 [0,0,0,0,1,0|2,0,0]=3 3479 B9R0.48 CCCC(C)SCC(C)O 62a_100000766640_100011218427 [0,0,0,0,1,0|3,0,0]=4 3480 B9R0.48 CCCC(C)SCC(C)O 62a_100011218427_100000766640 [0,0,0,0,1,0|3,0,0]=4 3481 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100000766640_100009817552 [0,0,0,0,1,0|3,0,0]=4 3482 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100009817552_100000766640 [0,0,0,0,1,0|3,0,0]=4 3483 B9R0.48 CCCN(C)CCC(C)C 2230a_100000742789_100000210303 [0,0,0,0,1,0|2,0,0]=3 3484 B9R0.48 CCCN(C)CCC(C)C 2230a_100000747261_100000210312 [0,0,0,0,1,0|2,0,0]=3 3485 B9R0.48 CCCN(C)CCC(C)C 269982a_100000742789_100000210303 [0,0,0,0,1,0|2,0,0]=3 3486 B9R0.48 CCCN(C)CCC(C)C 269982a_100000747261_100000210312 [0,0,0,0,1,0|2,0,0]=3 3487 B9R0.48 CCCN(C)CCC(C)O 2230a_100000747261_100012276601 [0,0,0,0,1,0|3,0,0]=4 3488 B9R0.48 CCCN(C)CCC(C)O 269982a_100000747261_100012276601 [0,0,0,0,1,0|3,0,0]=4 3489 B9R0.48 CCCN(C)CCN(C)C 2230a_100000226821_200000210301 [0,0,0,0,1,0|3,0,0]=4 3490 B9R0.48 CCCN(C)CCN(C)C 269982a_100000225618_100000210303 [0,0,0,0,1,0|3,0,0]=4 3491 B9R0.48 CCCN(C)CCN(C)C 269982a_100000226821_200000210301 [0,0,0,0,1,0|3,0,0]=4 3492 B9R0.48 CCCN(C)CCN(C)C 269982a_100000747261_100000755713 [0,0,0,0,1,0|3,0,0]=4 3493 B9R0.48 CCCN(C)COC(C)C 2230a_100000747261_100000709892 [0,0,0,0,1,0|3,0,0]=4 3494 B9R0.48 CCCN(C)COC(C)C 269982a_100000747261_100000709892 [0,0,0,0,1,0|3,0,0]=4 3495 B9R0.48 CCCN([13CH3])CCN(C)C 2230a_100000226821_200025704644 [0,0,0,0,1,0|3,0,0]=4 3496 B9R0.48 CCCN([13CH3])CCN(C)C 269982a_100000226821_200025704644 [0,0,0,0,1,0|3,0,0]=4 3497 B9R0.48 CCC[C@H](N)COC(C)C 34a_100000732646_100000210206 [0,0,0,0,1,0|3,0,0]=4 3498 B9R0.48 CCNC(C)CCC(C)C 2230a_100015525214_100011261404 [0,0,0,0,1,0|2,0,0]=3 3499 B9R0.48 CCNC(C)CCC(C)C 2230a_100138410893_100000210202 [0,0,0,0,1,0|2,0,0]=3 3500 B9R0.48 CCNC(C)CCC(C)C 270004a_100015525214_100000210476 [0,0,0,0,1,0|2,0,0]=3 3501 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,0,0,0,1,0|2,0,0]=3 3502 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,0,0,0,1,0|2,0,0]=3 3503 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,0,0,0,1,0|2,0,0]=3 3504 B9R0.48 CCSC(C)CCC(C)C 62a_100000210202_100011261404 [0,0,0,0,1,0|2,0,0]=3 3505 B9R0.48 CCSC(C)CCC(C)C 62a_100011261404_100000210202 [0,0,0,0,1,0|2,0,0]=3 3506 B9R0.48 CN(C)CCN(C)CCF 269982a_100000225618_100011217306 [0,0,0,0,1,0|3,0,0]=4 3507 B9R0.48 CN(C)CCN(C)CCO 269982a_100000210263_100000755713 [0,0,0,0,1,0|2,0,0]=3 3508 B9R0.48 CN(C)CCN(C)CCO 269982a_100000225618_100000211926 [0,0,0,0,1,0|2,0,0]=3 3509 B9R0.48 COCC(C)NCC(C)C 2230a_100000210953_100000765312 [0,0,0,0,1,0|3,0,0]=4 3510 B9R0.48 COCC(C)NCC(C)C 270004a_100000210953_100000749346 [0,0,0,0,1,0|3,0,0]=4 3511 B9R0.48 COCC(C)NCC(C)C 34a_100000210953_100000765312 [0,0,0,0,1,0|3,0,0]=4 3512 B9R0.48 COCC(C)OCC(C)C 34a_100000210257_100000765312 [0,0,0,0,1,0|3,0,0]=4 3513 B9R0.48 COCC(C)SCC(C)C 62a_100000210624_100000765312 [0,0,0,0,1,0|3,0,0]=4 3514 B9R0.48 COCC(C)SCC(C)C 62a_100000765312_100000210760 [0,0,0,0,1,0|3,0,0]=4 3515 B9R0.48 COCN(C)CCC(C)C 2230a_100000742789_100000766300 [0,0,0,0,1,0|3,0,0]=4 3516 B9R0.48 COCN(C)CCC(C)C 269982a_100000742789_100000766300 [0,0,0,0,1,0|3,0,0]=4 3517 B9R0.48 COC[C@@H](C)NCC(C)C 2230a_100000764878_100000210760 [0,0,0,0,1,0|3,0,0]=4 3518 B9R0.48 COC[C@@H](C)NCC(C)C 270004a_100000764878_100000210432 [0,0,0,0,1,0|3,0,0]=4 3519 B9R0.48 COC[C@@H](C)OCC(C)C 34a_100011934205_100000210624 [0,0,0,0,1,0|3,0,0]=4 3520 B9R0.48 CSCC(C)NCC(C)C 270004a_100000210953_100011216314 [0,0,0,0,1,0|3,0,0]=4 3521 B9R0.48 CSCN(C)CCC(C)C 2230a_100000742789_100011218213 [0,0,0,0,1,0|3,0,0]=4 3522 B9R0.48 CSCN(C)CCC(C)C 269982a_100000742789_100011218213 [0,0,0,0,1,0|3,0,0]=4 3523 B9R0.48 C[C@H](CCO)NCC(F)F 2230a_100000706166_100011934356 [0,0,0,0,1,0|3,0,0]=4 3524 B9R0.48 C[C@H](CCO)NCC(F)F 34a_100000706166_100011934356 [0,0,0,0,1,0|3,0,0]=4 3525 B9R0.48 C[C@H](CCO)NC[C@@H](C)O 2230a_100000706166_100009817552 [0,0,0,0,1,0|2,0,0]=3 3526 B9R0.48 C[C@H](CCO)NC[C@@H](C)O 34a_100000706166_100009817552 [0,0,0,0,1,0|2,0,0]=3 3527 B9R0.48 C[S+](C)CCC(=O)CCO 1458a_100009452791_100000211926 [0,0,0,0,1,0|2,0,1]=4 3528 B11R0.176 C#CCC(C)OCCCC(C)C 34a_100000685586_100011214892 [0,0,0,0,0,1|1,0,1]=3 3529 B11R0.176 C#CCC(C)OCCCC(C)C 7a_100000685586_100011214892 [0,0,0,0,0,1|1,0,1]=3 3530 B11R0.176 C#CCC(C)OCCCC(C)O 34a_100000685586_200000718107 [0,0,0,0,0,1|2,0,1]=4 3531 B11R0.176 C#CCC(C)OCCCC(C)O 7a_100000685586_200000718107 [0,0,0,0,0,1|2,0,1]=4 3532 B11R0.176 C#CCC(C)OCCCN(C)C 7a_100000685586_100000757444 [0,0,0,0,0,1|2,0,1]=4 3533 B11R0.176 C#CCC(C)OCCOC(C)C 34a_100000685586_100000211751 [0,0,0,0,0,1|2,0,1]=4 3534 B11R0.176 C#CCC(C)OCCOC(C)C 7a_100000685586_100000211751 [0,0,0,0,0,1|2,0,1]=4 3535 B11R0.176 C#CCC(C)OCCSC(C)C 34a_100000685586_100000730970 [0,0,0,0,0,1|2,0,1]=4 3536 B11R0.176 C#CCC(C)OCCSC(C)C 7a_100000685586_100000730970 [0,0,0,0,0,1|2,0,1]=4 3537 B11R0.176 C#CCN(C)CCCCC(C)C 2230a_100000225692_100011216152 [0,0,0,0,0,1|2,0,1]=4 3538 B11R0.176 C#CCN(C)CCCCC(C)C 34a_100000225692_100011216152 [0,0,0,0,0,1|2,0,1]=4 3539 B11R0.176 C/C=C/C(C)OCCCC(C)C 34a_200102604097_100011214892 [0,0,0,0,0,1|1,0,2]=4 3540 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000688023_100000730704 [0,0,0,0,0,1|1,0,2]=4 3541 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000764851_100011216630 [0,0,0,0,0,1|1,0,2]=4 3542 B11R0.176 C=C(C)CCOCC(C)CCC 7a_100000688023_100000730704 [0,0,0,0,0,1|1,0,2]=4 3543 B11R0.176 C=C(C)CCOCC(C)CCN 34a_106354213184_100000730704 [0,0,0,0,0,1|1,0,2]=4 3544 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100000730704_100011216630 [0,0,0,0,0,1|1,0,2]=4 3545 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100011216630_100000730704 [0,0,0,0,0,1|1,0,2]=4 3546 B11R0.176 C=C(C)COCCC(C)CCC 34a_100011217855_100000748629 [0,0,0,0,0,1|1,0,2]=4 3547 B11R0.176 C=C(C)COCCC(C)CCC 7a_100011217855_100000748629 [0,0,0,0,0,1|1,0,2]=4 3548 B11R0.176 C=CCC(C)COCCC(C)C 34a_100009832082_100000210312 [0,0,0,0,0,1|1,0,1]=3 3549 B11R0.176 C=CCC(C)COCCC(C)C 7a_100009832082_100000210626 [0,0,0,0,0,1|1,0,1]=3 3550 B11R0.176 C=CCC(C)COCCC(C)O 34a_100009832082_100012276601 [0,0,0,0,0,1|2,0,1]=4 3551 B11R0.176 C=CCC(C)COCCC(C)O 7a_100009832082_100012276601 [0,0,0,0,0,1|2,0,1]=4 3552 B11R0.176 C=CCC(C)COCCN(C)C 7a_100009832082_100000755713 [0,0,0,0,0,1|2,0,1]=4 3553 B11R0.176 C=CCC(C)COCOC(C)C 34a_100009832082_100000709892 [0,0,0,0,0,1|2,0,1]=4 3554 B11R0.176 C=CCN(C)CCCCC(C)C 2230a_100000225617_100011216152 [0,0,0,0,0,1|2,0,1]=4 3555 B11R0.176 C=CCN(C)CCCCC(C)C 269982a_100000225617_100011216152 [0,0,0,0,0,1|2,0,1]=4 3556 B11R0.176 C=CC[C@@H](C)OCCCC(C)C 34a_100000731007_100011214892 [0,0,0,0,0,1|1,0,1]=3 3557 B11R0.176 C=CC[C@@H](C)OCCCC(C)C 7a_100000731007_100011214892 [0,0,0,0,0,1|1,0,1]=3 3558 B11R0.176 C=CC[C@@H](C)OCCCC(C)O 34a_100000731007_200000718107 [0,0,0,0,0,1|2,0,1]=4 3559 B11R0.176 C=CC[C@@H](C)OCCCC(C)O 7a_100000731007_200000718107 [0,0,0,0,0,1|2,0,1]=4 3560 B11R0.176 C=CC[C@@H](C)OCCCN(C)C 7a_100000731007_100000757444 [0,0,0,0,0,1|2,0,1]=4 3561 B11R0.176 C=CC[C@@H](C)OCCOC(C)C 34a_100000731007_100000211751 [0,0,0,0,0,1|2,0,1]=4 3562 B11R0.176 C=CC[C@@H](C)OCCOC(C)C 7a_100000731007_100000211751 [0,0,0,0,0,1|2,0,1]=4 3563 B11R0.176 C=CC[C@@H](C)OCCSC(C)C 34a_100000731007_100000730970 [0,0,0,0,0,1|2,0,1]=4 3564 B11R0.176 C=CC[C@@H](C)OCCSC(C)C 7a_100000731007_100000730970 [0,0,0,0,0,1|2,0,1]=4 3565 B11R0.176 C=CC[C@@H](N)COCCC(C)C 34a_100020615467_100000210312 [0,0,0,0,0,1|2,0,1]=4 3566 B11R0.176 CC#CC(C)OCCCC(C)C 34a_100011216543_100011214892 [0,0,0,0,0,1|1,0,2]=4 3567 B11R0.176 CC(=CCCN[C@H](C)CCO)C 2230a_100000706166_100011217483 [0,0,0,0,0,1|0,0,2]=3 3568 B11R0.176 CC(=CCCN[C@H](C)CCO)C 34a_100000706166_100011217483 [0,0,0,0,0,1|0,0,2]=3 3569 B11R0.176 CC(=CCCOC(C)CCBr)C 34a_100012276601_100011217483 [0,0,0,0,0,1|1,0,2]=4 3570 B11R0.176 CC(=CCCSC(C)CCO)C 62a_100009893172_100011217483 [0,0,0,0,0,1|0,0,2]=3 3571 B11R0.176 CC(=CCCSC(C)CCO)C 62a_100011217483_100009893172 [0,0,0,0,0,1|0,0,2]=3 3572 B11R0.176 CC(=CCOCC(C)CCN)C 34a_106354213184_100000761012 [0,0,0,0,0,1|1,0,2]=4 3573 B11R0.176 CC(=O)CCCCN(C)CCO 269982a_100000210263_100000735457 [0,0,0,0,0,1|2,0,1]=4 3574 B11R0.176 CC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000685027 [0,0,0,0,0,1|1,0,1]=3 3575 B11R0.176 CC(=O)CCCOC(C)CCBr 34a_100012276601_100000685027 [0,0,0,0,0,1|2,0,1]=4 3576 B11R0.176 CC(=O)CCCOC(C)CCO 34a_100000759063_100009893172 [0,0,0,0,0,1|1,0,1]=3 3577 B11R0.176 CC(=O)CCCOC(C)CCO 7a_100000759063_100009893172 [0,0,0,0,0,1|1,0,1]=3 3578 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100009893172_100011215641 [0,0,0,0,0,1|1,0,1]=3 3579 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100011215641_100009893172 [0,0,0,0,0,1|1,0,1]=3 3580 B11R0.176 CC(=O)NCCNC(C)CCO 2230a_100000209853_100009893172 [0,0,0,0,0,1|2,0,1]=4 3581 B11R0.176 CC(=O)NCCN[C@H](C)CCO 2230a_100000706166_100000189650 [0,0,0,0,0,1|2,0,1]=4 3582 B11R0.176 CC(=O)NCCOC(C)CCO 34a_100000158858_100009893172 [0,0,0,0,0,1|2,0,1]=4 3583 B11R0.176 CC(=O)NCCSC(C)CCO 62a_100000189650_100009893172 [0,0,0,0,0,1|2,0,1]=4 3584 B11R0.176 CC(=O)NCCSC(C)CCO 62a_100009893172_100000189650 [0,0,0,0,0,1|2,0,1]=4 3585 B11R0.176 CC(=O)OCCCN(C)CCO 269982a_100000210263_100000042594 [0,0,0,0,0,1|2,0,1]=4 3586 B11R0.176 CC(=O)OCCN[C@H](C)CCO 34a_100000706166_100009814007 [0,0,0,0,0,1|2,0,1]=4 3587 B11R0.176 CC(=O)OCCSC(C)CCO 62a_100009814007_100009893172 [0,0,0,0,0,1|2,0,1]=4 3588 B11R0.176 CC(=O)OCCSC(C)CCO 62a_100009893172_100009814007 [0,0,0,0,0,1|2,0,1]=4 3589 B11R0.176 CC(=O)SCCCN(C)CCO 2230a_100000210263_100000038929 [0,0,0,0,0,1|2,0,1]=4 3590 B11R0.176 CC(=O)SCCCN(C)CCO 269982a_100000210263_100000038929 [0,0,0,0,0,1|2,0,1]=4 3591 B11R0.176 CC(=S)OCCCN(C)CCO 2230a_100000210263_200135323944 [0,0,0,0,0,1|2,0,1]=4 3592 B11R0.176 CC(=S)OCCCN(C)CCO 269982a_100000210263_200135323944 [0,0,0,0,0,1|2,0,1]=4 3593 B11R0.176 CC(C)CCCCC(=O)CCF 1458a_100011933920_100011217306 [0,0,0,0,0,1|2,0,1]=4 3594 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011216618_100011216152 [0,0,0,0,0,1|1,0,1]=3 3595 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011933920_100000211926 [0,0,0,0,0,1|1,0,1]=3 3596 B11R0.176 CC(C)CCCCN(C)CC#N 2230a_100000748184_100011216152 [0,0,0,0,0,1|2,0,1]=4 3597 B11R0.176 CC(C)CCCCN(C)CCO 2230a_100000210263_100011216152 [0,0,0,0,0,1|1,0,0]=2 3598 B11R0.176 CC(C)CCCCN(C)CCO 269982a_100000210263_100011216152 [0,0,0,0,0,1|1,0,0]=2 3599 B11R0.176 CC(C)CCCNC(=O)CCO 240690a_200000737386_100011216618 [0,0,0,0,0,1|1,0,1]=3 3600 B11R0.176 CC(C)CCCNC(C)CC#N 2230a_200000737386_100009813641 [0,0,0,0,0,1|1,0,1]=3 3601 B11R0.176 CC(C)CCCNC(C)CCO 2230a_200000737386_100009893172 [0,0,0,0,0,1|0,0,0]=1 3602 B11R0.176 CC(C)CCCNC(C)CCO 34a_200000737386_100009893172 [0,0,0,0,0,1|0,0,0]=1 3603 B11R0.176 CC(C)CCCN[C@@H](C)CC#N 2230a_100016994482_100011214892 [0,0,0,0,0,1|1,0,1]=3 3604 B11R0.176 CC(C)CCCN[C@H](C)CCO 2230a_100000706166_100011214892 [0,0,0,0,0,1|0,0,0]=1 3605 B11R0.176 CC(C)CCCN[C@H](C)CCO 34a_100000706166_100011214892 [0,0,0,0,0,1|0,0,0]=1 3606 B11R0.176 CC(C)CCCOC(C)CC#N 7a_100000210774_100009813641 [0,0,0,0,0,1|1,0,1]=3 3607 B11R0.176 CC(C)CCCOC(C)CCBr 34a_100012276601_100011214892 [0,0,0,0,0,1|1,0,0]=2 3608 B11R0.176 CC(C)CCCOC(C)CCO 34a_100000210774_100009893172 [0,0,0,0,0,1|0,0,0]=1 3609 B11R0.176 CC(C)CCCOC(C)CCO 7a_100000210774_100009893172 [0,0,0,0,0,1|0,0,0]=1 3610 B11R0.176 CC(C)CCCSC(C)CC#N 62a_100009813641_100011214892 [0,0,0,0,0,1|1,0,1]=3 3611 B11R0.176 CC(C)CCCSC(C)CC#N 62a_100011214892_100009813641 [0,0,0,0,0,1|1,0,1]=3 3612 B11R0.176 CC(C)CCCSC(C)CCO 62a_100009893172_100011214892 [0,0,0,0,0,1|0,0,0]=1 3613 B11R0.176 CC(C)CCCSC(C)CCO 62a_100011214892_100009893172 [0,0,0,0,0,1|0,0,0]=1 3614 B11R0.176 CC(C)CCOCC(=O)NCO 34a_100000210254_100000185155 [0,0,0,0,0,1|2,0,1]=4 3615 B11R0.176 CC(C)CCOCC(=O)NCO 7a_100000210254_100000185155 [0,0,0,0,0,1|2,0,1]=4 3616 B11R0.176 CC(C)CCOCC(C)CCN 34a_106354213184_100000210312 [0,0,0,0,0,1|1,0,0]=2 3617 B11R0.176 CC(C)CCOC[C@@H](O)CC#N 7a_100000210254_100000001066 [0,0,0,0,0,1|2,0,1]=4 3618 B11R0.176 CC(C)CCSCC(=O)NCO 62a_100000185155_100000210312 [0,0,0,0,0,1|2,0,1]=4 3619 B11R0.176 CC(C)CCSCC(=O)NCO 62a_100000210312_100000185155 [0,0,0,0,0,1|2,0,1]=4 3620 B11R0.176 CC(C)CCSC[C@@H](O)CC#N 62a_100000001066_100000210312 [0,0,0,0,0,1|2,0,1]=4 3621 B11R0.176 CC(C)CCSC[C@@H](O)CC#N 62a_100000210312_100000001066 [0,0,0,0,0,1|2,0,1]=4 3622 B11R0.176 CC(C)NCCOC(C)CCO 34a_100000224655_100009893172 [0,0,0,0,0,1|1,0,0]=2 3623 B11R0.176 CC(C)OCCNC(=O)CCO 240690a_100000701111_100011216618 [0,0,0,0,0,1|2,0,1]=4 3624 B11R0.176 CC(C)OCCN[C@@H](C)CC#N 2230a_100016994482_100000211751 [0,0,0,0,0,1|2,0,1]=4 3625 B11R0.176 CC(C)OCCN[C@H](C)CCO 2230a_100000706166_100000211751 [0,0,0,0,0,1|1,0,0]=2 3626 B11R0.176 CC(C)OCCN[C@H](C)CCO 34a_100000706166_100000211751 [0,0,0,0,0,1|1,0,0]=2 3627 B11R0.176 CC(C)OCCOC(C)CC#N 7a_100000211219_100009813641 [0,0,0,0,0,1|2,0,1]=4 3628 B11R0.176 CC(C)OCCOC(C)CCBr 34a_100012276601_100000211751 [0,0,0,0,0,1|2,0,0]=3 3629 B11R0.176 CC(C)OCCOC(C)CCO 34a_100000211219_100009893172 [0,0,0,0,0,1|1,0,0]=2 3630 B11R0.176 CC(C)OCCOC(C)CCO 7a_100000211219_100009893172 [0,0,0,0,0,1|1,0,0]=2 3631 B11R0.176 CC(C)OCCSC(C)CC#N 62a_100000211751_100009813641 [0,0,0,0,0,1|2,0,1]=4 3632 B11R0.176 CC(C)OCCSC(C)CC#N 62a_100009813641_100000211751 [0,0,0,0,0,1|2,0,1]=4 3633 B11R0.176 CC(C)OCCSC(C)CCO 62a_100000211751_100009893172 [0,0,0,0,0,1|1,0,0]=2 3634 B11R0.176 CC(C)OCCSC(C)CCO 62a_100009893172_100000211751 [0,0,0,0,0,1|1,0,0]=2 3635 B11R0.176 CC(C)SCCNC(=O)CCO 240690a_100000731138_100011216618 [0,0,0,0,0,1|2,0,1]=4 3636 B11R0.176 CC(C)SCCN[C@@H](C)CC#N 2230a_100016994482_100000730970 [0,0,0,0,0,1|2,0,1]=4 3637 B11R0.176 CC(C)SCCN[C@H](C)CCO 2230a_100000706166_100000730970 [0,0,0,0,0,1|1,0,0]=2 3638 B11R0.176 CC(C)SCCN[C@H](C)CCO 34a_100000706166_100000730970 [0,0,0,0,0,1|1,0,0]=2 3639 B11R0.176 CC(C)SCCSC(C)CC#N 62a_100000730970_100009813641 [0,0,0,0,0,1|2,0,1]=4 3640 B11R0.176 CC(C)SCCSC(C)CC#N 62a_100009813641_100000730970 [0,0,0,0,0,1|2,0,1]=4 3641 B11R0.176 CC(C)SCCSC(C)CCO 62a_100000730970_100009893172 [0,0,0,0,0,1|1,0,0]=2 3642 B11R0.176 CC(C)SCCSC(C)CCO 62a_100009893172_100000730970 [0,0,0,0,0,1|1,0,0]=2 3643 B11R0.176 CC(CC#N)NCCOC(C)C 2230a_100000701111_100009813641 [0,0,0,0,0,1|2,0,1]=4 3644 B11R0.176 CC(CC#N)NCCSC(C)C 2230a_100000731138_100009813641 [0,0,0,0,0,1|2,0,1]=4 3645 B11R0.176 CC(CC#N)OCCSC(C)C 7a_200011212901_100009813641 [0,0,0,0,0,1|2,0,1]=4 3646 B11R0.176 CC(CC#N)SCCCN(C)C 62a_100009813641_100000757444 [0,0,0,0,0,1|2,0,1]=4 3647 B11R0.176 CC(CCBr)OCCSC(C)C 34a_100012276601_100000730970 [0,0,0,0,0,1|2,0,0]=3 3648 B11R0.176 CC(CCN)COCOC(C)C 34a_106354213184_100000709892 [0,0,0,0,0,1|2,0,0]=3 3649 B11R0.176 CC(CCO)NCCCC(=O)N 34a_100000739312_100009893172 [0,0,0,0,0,1|2,0,1]=4 3650 B11R0.176 CC(CCO)NCCCS(=O)C 2230a_200000753449_100009893172 [0,0,0,0,0,1|2,0,0]=3 3651 B11R0.176 CC(CCO)NCCOC(C)C 2230a_100000701111_100009893172 [0,0,0,0,0,1|1,0,0]=2 3652 B11R0.176 CC(CCO)NCCOC(C)C 34a_100000701111_100009893172 [0,0,0,0,0,1|1,0,0]=2 3653 B11R0.176 CC(CCO)NCCSC(C)C 2230a_100000731138_100009893172 [0,0,0,0,0,1|1,0,0]=2 3654 B11R0.176 CC(CCO)NCCSC(C)C 34a_100000731138_100009893172 [0,0,0,0,0,1|1,0,0]=2 3655 B11R0.176 CC(CCO)OCCC[N+](=O)[O-] 34a_200000037920_100009893172 [0,0,0,0,0,1|3,0,0]=4 3656 B11R0.176 CC(CCO)OCCSC(C)C 34a_200011212901_100009893172 [0,0,0,0,0,1|1,0,0]=2 3657 B11R0.176 CC(CCO)OCCSC(C)C 7a_200011212901_100009893172 [0,0,0,0,0,1|1,0,0]=2 3658 B11R0.176 CC(CCO)SCCCC(=O)N 62a_100009893172_100102525003 [0,0,0,0,0,1|2,0,1]=4 3659 B11R0.176 CC(CCO)SCCCC(=O)N 62a_100102525003_100009893172 [0,0,0,0,0,1|2,0,1]=4 3660 B11R0.176 CC(CCO)SCCCN(C)C 62a_100009893172_100000757444 [0,0,0,0,0,1|1,0,0]=2 3661 B11R0.176 CC(O)CCCN[C@@H](C)CC#N 2230a_100016994482_200000718107 [0,0,0,0,0,1|2,0,1]=4 3662 B11R0.176 CC(O)CCCN[C@H](C)CCO 2230a_100000706166_200000718107 [0,0,0,0,0,1|1,0,0]=2 3663 B11R0.176 CC(O)CCCN[C@H](C)CCO 34a_100000706166_200000718107 [0,0,0,0,0,1|1,0,0]=2 3664 B11R0.176 CC(O)CCCOC(C)CCBr 34a_100012276601_200000718107 [0,0,0,0,0,1|2,0,0]=3 3665 B11R0.176 CC(O)CCCSC(C)CC#N 62a_100009813641_200000718107 [0,0,0,0,0,1|2,0,1]=4 3666 B11R0.176 CC(O)CCCSC(C)CC#N 62a_200000718107_100009813641 [0,0,0,0,0,1|2,0,1]=4 3667 B11R0.176 CC(O)CCCSC(C)CCO 62a_100009893172_200000718107 [0,0,0,0,0,1|1,0,0]=2 3668 B11R0.176 CC(O)CCCSC(C)CCO 62a_200000718107_100009893172 [0,0,0,0,0,1|1,0,0]=2 3669 B11R0.176 CC(O)CCOCC(C)CCN 34a_106354213184_100012276601 [0,0,0,0,0,1|2,0,0]=3 3670 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100000211992_100011216152 [0,0,0,0,0,1|2,0,1]=4 3671 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100011933920_100000210303 [0,0,0,0,0,1|2,0,1]=4 3672 B11R0.176 CCCC(=O)COCCC(C)C 7a_100000210254_100000747444 [0,0,0,0,0,1|2,0,1]=4 3673 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000210312_100000747444 [0,0,0,0,0,1|2,0,1]=4 3674 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000747444_100000210312 [0,0,0,0,0,1|2,0,1]=4 3675 B11R0.176 CCCC(=O)NCCCC(C)C 11a_200000737386_100000211992 [0,0,0,0,0,1|2,0,1]=4 3676 B11R0.176 CCCC(=O)NCCCC(C)C 1626a_200000737386_100000211992 [0,0,0,0,0,1|2,0,1]=4 3677 B11R0.176 CCCC(=O)NCCCC(C)C 240690a_200000737386_100000211992 [0,0,0,0,0,1|2,0,1]=4 3678 B11R0.176 CCCC(=O)NCCCC(C)C 527a_200000737386_100000211992 [0,0,0,0,0,1|2,0,1]=4 3679 B11R0.176 CCCC(C)CCCOC(C)C 34a_100011713154_100000210206 [0,0,0,0,0,1|1,0,0]=2 3680 B11R0.176 CCCC(C)CCCOC(C)C 7a_100011713154_100000210206 [0,0,0,0,0,1|1,0,0]=2 3681 B11R0.176 CCCC(C)CCOCC(C)C 34a_100011217855_100000210624 [0,0,0,0,0,1|1,0,0]=2 3682 B11R0.176 CCCC(C)CCOCC(C)C 7a_100011217855_100000210760 [0,0,0,0,0,1|1,0,0]=2 3683 B11R0.176 CCCC(C)CCOCC(C)O 34a_100011217855_100011218427 [0,0,0,0,0,1|2,0,0]=3 3684 B11R0.176 CCCC(C)CCOCC(C)O 7a_100011217855_100011218427 [0,0,0,0,0,1|2,0,0]=3 3685 B11R0.176 CCCC(C)CCOCC(F)F 34a_100011217855_100011934356 [0,0,0,0,0,1|3,0,0]=4 3686 B11R0.176 CCCC(C)CCOCC(F)F 7a_100011217855_100011934356 [0,0,0,0,0,1|3,0,0]=4 3687 B11R0.176 CCCC(C)CCOC[C@@H](C)O 34a_100011217855_100009817552 [0,0,0,0,0,1|2,0,0]=3 3688 B11R0.176 CCCC(C)CCOC[C@@H](C)O 7a_100011217855_100009817552 [0,0,0,0,0,1|2,0,0]=3 3689 B11R0.176 CCCC(C)CNCC=C(C)C 270004a_100000718196_100000243154 [0,0,0,0,0,1|1,0,2]=4 3690 B11R0.176 CCCC(C)CNCC=C(C)C 34a_100000718196_100011216630 [0,0,0,0,0,1|1,0,2]=4 3691 B11R0.176 CCCC(C)CNCCC(C)C 270004a_100000210545_100000243154 [0,0,0,0,0,1|1,0,0]=2 3692 B11R0.176 CCCC(C)CNCCC(C)O 2230a_200000755665_100011216630 [0,0,0,0,0,1|2,0,0]=3 3693 B11R0.176 CCCC(C)CNCCC(C)O 270004a_200000755665_100000243154 [0,0,0,0,0,1|2,0,0]=3 3694 B11R0.176 CCCC(C)CNCCN(C)C 270004a_100000210585_100000243154 [0,0,0,0,0,1|2,0,0]=3 3695 B11R0.176 CCCC(C)COCC=C(C)C 34a_100000688023_100000761012 [0,0,0,0,0,1|1,0,2]=4 3696 B11R0.176 CCCC(C)COCC=C(C)C 34a_100000753907_100011216630 [0,0,0,0,0,1|1,0,2]=4 3697 B11R0.176 CCCC(C)COCC=C(C)C 7a_100000688023_100000761012 [0,0,0,0,0,1|1,0,2]=4 3698 B11R0.176 CCCC(C)COCCC(=O)C 34a_100000759926_100011216630 [0,0,0,0,0,1|2,0,1]=4 3699 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000688023_100000053229 [0,0,0,0,0,1|2,0,1]=4 3700 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000759926_100011216630 [0,0,0,0,0,1|2,0,1]=4 3701 B11R0.176 CCCC(C)COCCC(C)Br 34a_100009893172_100011216630 [0,0,0,0,0,1|2,0,0]=3 3702 B11R0.176 CCCC(C)COCCC(C)C 34a_100000210254_100011216630 [0,0,0,0,0,1|1,0,0]=2 3703 B11R0.176 CCCC(C)COCCC(C)C 34a_100000688023_100000210312 [0,0,0,0,0,1|1,0,0]=2 3704 B11R0.176 CCCC(C)COCCC(C)C 7a_100000210254_100011216630 [0,0,0,0,0,1|1,0,0]=2 3705 B11R0.176 CCCC(C)COCCC(C)C 7a_100000688023_100000210626 [0,0,0,0,0,1|1,0,0]=2 3706 B11R0.176 CCCC(C)COCCC(C)O 34a_100000688023_100012276601 [0,0,0,0,0,1|2,0,0]=3 3707 B11R0.176 CCCC(C)COCCC(C)O 7a_100000688023_100012276601 [0,0,0,0,0,1|2,0,0]=3 3708 B11R0.176 CCCC(C)COCCC(F)F 34a_100103093639_100011216630 [0,0,0,0,0,1|3,0,0]=4 3709 B11R0.176 CCCC(C)COCCN(C)C 7a_100000688023_100000755713 [0,0,0,0,0,1|2,0,0]=3 3710 B11R0.176 CCCC(C)COCC[C@@H](C)N 34a_100000706166_100011216630 [0,0,0,0,0,1|2,0,0]=3 3711 B11R0.176 CCCC(C)COCOC(C)C 34a_100000688023_100000709892 [0,0,0,0,0,1|2,0,0]=3 3712 B11R0.176 CCCC(C)CSCC=C(C)C 62a_100000761012_100011216630 [0,0,0,0,0,1|1,0,2]=4 3713 B11R0.176 CCCC(C)CSCC=C(C)C 62a_100011216630_100000761012 [0,0,0,0,0,1|1,0,2]=4 3714 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100000053229_100011216630 [0,0,0,0,0,1|2,0,1]=4 3715 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100011216630_100000053229 [0,0,0,0,0,1|2,0,1]=4 3716 B11R0.176 CCCC(C)CSCCC(C)C 62a_100000210312_100011216630 [0,0,0,0,0,1|1,0,0]=2 3717 B11R0.176 CCCC(C)CSCCC(C)C 62a_100011216630_100000210312 [0,0,0,0,0,1|1,0,0]=2 3718 B11R0.176 CCCC(C)CSCCC(C)O 62a_100011216630_100012276601 [0,0,0,0,0,1|2,0,0]=3 3719 B11R0.176 CCCC(C)CSCCC(C)O 62a_100012276601_100011216630 [0,0,0,0,0,1|2,0,0]=3 3720 B11R0.176 CCCC(C)CSCCN(C)C 62a_100011216630_100000755713 [0,0,0,0,0,1|2,0,0]=3 3721 B11R0.176 CCCC(C)CSCOC(C)C 62a_100000709892_100011216630 [0,0,0,0,0,1|2,0,0]=3 3722 B11R0.176 CCCC(C)CSCOC(C)C 62a_100011216630_100000709892 [0,0,0,0,0,1|2,0,0]=3 3723 B11R0.176 CCCC(C)NCCC=C(C)C 2230a_100000741246_100011217483 [0,0,0,0,0,1|1,0,2]=4 3724 B11R0.176 CCCC(C)NCCCC(C)C 2230a_100000741246_100011214892 [0,0,0,0,0,1|1,0,0]=2 3725 B11R0.176 CCCC(C)NCCCC(C)C 2230a_200000737386_100000766640 [0,0,0,0,0,1|1,0,0]=2 3726 B11R0.176 CCCC(C)NCCCC(C)C 270004a_200000737386_100000211909 [0,0,0,0,0,1|1,0,0]=2 3727 B11R0.176 CCCC(C)NCCCC(C)C 34a_200000737386_100000766640 [0,0,0,0,0,1|1,0,0]=2 3728 B11R0.176 CCCC(C)NCCCC(C)O 2230a_100000741246_200000718107 [0,0,0,0,0,1|2,0,0]=3 3729 B11R0.176 CCCC(C)NCCCN(C)C 270004a_102531767803_100000211909 [0,0,0,0,0,1|2,0,0]=3 3730 B11R0.176 CCCC(C)NCCCS(=O)C 2230a_200000753449_100000766640 [0,0,0,0,0,1|3,0,0]=4 3731 B11R0.176 CCCC(C)NCCCS(=O)C 270004a_200000753449_100000211909 [0,0,0,0,0,1|3,0,0]=4 3732 B11R0.176 CCCC(C)NCCOC(C)C 2230a_100000701111_100000766640 [0,0,0,0,0,1|2,0,0]=3 3733 B11R0.176 CCCC(C)NCCOC(C)C 2230a_100000741246_100000211751 [0,0,0,0,0,1|2,0,0]=3 3734 B11R0.176 CCCC(C)NCCOC(C)C 270004a_100000701111_100000211909 [0,0,0,0,0,1|2,0,0]=3 3735 B11R0.176 CCCC(C)NCCOC(C)C 34a_100000701111_100000766640 [0,0,0,0,0,1|2,0,0]=3 3736 B11R0.176 CCCC(C)NCCSC(C)C 2230a_100000731138_100000766640 [0,0,0,0,0,1|2,0,0]=3 3737 B11R0.176 CCCC(C)NCCSC(C)C 2230a_100000741246_100000730970 [0,0,0,0,0,1|2,0,0]=3 3738 B11R0.176 CCCC(C)NCCSC(C)C 270004a_100000731138_100000211909 [0,0,0,0,0,1|2,0,0]=3 3739 B11R0.176 CCCC(C)NCCSC(C)C 34a_100000731138_100000766640 [0,0,0,0,0,1|2,0,0]=3 3740 B11R0.176 CCCC(C)OCCC=C(C)C 34a_100000764384_100011217483 [0,0,0,0,0,1|1,0,2]=4 3741 B11R0.176 CCCC(C)OCCC=C(C)C 7a_100000764384_100011217483 [0,0,0,0,0,1|1,0,2]=4 3742 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000759063_100000766640 [0,0,0,0,0,1|2,0,1]=4 3743 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000764384_100000685027 [0,0,0,0,0,1|2,0,1]=4 3744 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000759063_100000766640 [0,0,0,0,0,1|2,0,1]=4 3745 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000764384_100011215641 [0,0,0,0,0,1|2,0,1]=4 3746 B11R0.176 CCCC(C)OCCCC(C)C 34a_100000210774_100000766640 [0,0,0,0,0,1|1,0,0]=2 3747 B11R0.176 CCCC(C)OCCCC(C)C 34a_100000764384_100011214892 [0,0,0,0,0,1|1,0,0]=2 3748 B11R0.176 CCCC(C)OCCCC(C)C 7a_100000210774_100000766640 [0,0,0,0,0,1|1,0,0]=2 3749 B11R0.176 CCCC(C)OCCCC(C)C 7a_100000764384_100011214892 [0,0,0,0,0,1|1,0,0]=2 3750 B11R0.176 CCCC(C)OCCCC(C)O 34a_100000764384_200000718107 [0,0,0,0,0,1|2,0,0]=3 3751 B11R0.176 CCCC(C)OCCCC(C)O 7a_100000764384_200000718107 [0,0,0,0,0,1|2,0,0]=3 3752 B11R0.176 CCCC(C)OCCCN(C)C 7a_100000764384_100000757444 [0,0,0,0,0,1|2,0,0]=3 3753 B11R0.176 CCCC(C)OCCNC(C)C 34a_100000224655_100000766640 [0,0,0,0,0,1|2,0,0]=3 3754 B11R0.176 CCCC(C)OCCOC(C)C 34a_100000211219_100000766640 [0,0,0,0,0,1|2,0,0]=3 3755 B11R0.176 CCCC(C)OCCOC(C)C 34a_100000764384_100000211751 [0,0,0,0,0,1|2,0,0]=3 3756 B11R0.176 CCCC(C)OCCOC(C)C 7a_100000211219_100000766640 [0,0,0,0,0,1|2,0,0]=3 3757 B11R0.176 CCCC(C)OCCOC(C)C 7a_100000764384_100000211751 [0,0,0,0,0,1|2,0,0]=3 3758 B11R0.176 CCCC(C)OCCSC(C)C 34a_100000764384_100000730970 [0,0,0,0,0,1|2,0,0]=3 3759 B11R0.176 CCCC(C)OCCSC(C)C 34a_200011212901_100000766640 [0,0,0,0,0,1|2,0,0]=3 3760 B11R0.176 CCCC(C)OCCSC(C)C 7a_100000764384_100000730970 [0,0,0,0,0,1|2,0,0]=3 3761 B11R0.176 CCCC(C)OCCSC(C)C 7a_200011212901_100000766640 [0,0,0,0,0,1|2,0,0]=3 3762 B11R0.176 CCCC(C)SCCC=C(C)C 62a_100000766640_100011217483 [0,0,0,0,0,1|1,0,2]=4 3763 B11R0.176 CCCC(C)SCCC=C(C)C 62a_100011217483_100000766640 [0,0,0,0,0,1|1,0,2]=4 3764 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100000766640_100011215641 [0,0,0,0,0,1|2,0,1]=4 3765 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100011215641_100000766640 [0,0,0,0,0,1|2,0,1]=4 3766 B11R0.176 CCCC(C)SCCCC(C)C 62a_100000766640_100011214892 [0,0,0,0,0,1|1,0,0]=2 3767 B11R0.176 CCCC(C)SCCCC(C)C 62a_100011214892_100000766640 [0,0,0,0,0,1|1,0,0]=2 3768 B11R0.176 CCCC(C)SCCCC(C)O 62a_100000766640_200000718107 [0,0,0,0,0,1|2,0,0]=3 3769 B11R0.176 CCCC(C)SCCCC(C)O 62a_200000718107_100000766640 [0,0,0,0,0,1|2,0,0]=3 3770 B11R0.176 CCCC(C)SCCCN(C)C 62a_100000766640_100000757444 [0,0,0,0,0,1|2,0,0]=3 3771 B11R0.176 CCCC(C)SCCOC(C)C 62a_100000211751_100000766640 [0,0,0,0,0,1|2,0,0]=3 3772 B11R0.176 CCCC(C)SCCOC(C)C 62a_100000766640_100000211751 [0,0,0,0,0,1|2,0,0]=3 3773 B11R0.176 CCCC(C)SCCSC(C)C 62a_100000730970_100000766640 [0,0,0,0,0,1|2,0,0]=3 3774 B11R0.176 CCCC(C)SCCSC(C)C 62a_100000766640_100000730970 [0,0,0,0,0,1|2,0,0]=3 3775 B11R0.176 CCCN(C)CCCCC(C)C 2230a_100000747261_100011216152 [0,0,0,0,0,1|2,0,0]=3 3776 B11R0.176 CCCN(C)CCCCC(C)C 269982a_100000747261_100011216152 [0,0,0,0,0,1|2,0,0]=3 3777 B11R0.176 CCCN(C)CCCCN(C)C 269982a_100000747261_100000690147 [0,0,0,0,0,1|3,0,0]=4 3778 B11R0.176 CCC[C@H](N)CCOCC(C)C 34a_100015193777_100000210624 [0,0,0,0,0,1|2,0,0]=3 3779 B11R0.176 CCC[C@H](N)CCOCC(C)O 34a_100015193777_100011218427 [0,0,0,0,0,1|3,0,0]=4 3780 B11R0.176 CCC[C@H](N)CCOC[C@@H](C)O 34a_100015193777_100009817552 [0,0,0,0,0,1|3,0,0]=4 3781 B11R0.176 CCC[C@H](N)COCCC(C)C 34a_100000732646_100000210312 [0,0,0,0,0,1|2,0,0]=3 3782 B11R0.176 CCC[C@H](N)COCCC(C)O 34a_100000732646_100012276601 [0,0,0,0,0,1|3,0,0]=4 3783 B11R0.176 CCC[C@H](N)COCOC(C)C 34a_100000732646_100000709892 [0,0,0,0,0,1|3,0,0]=4 3784 B11R0.176 CCNC(C)CCOCC(C)C 270004a_100015525214_200011216429 [0,0,0,0,0,1|2,0,0]=3 3785 B11R0.176 CN(C)CCCCN(C)CCO 269982a_100000210263_100000690147 [0,0,0,0,0,1|2,0,0]=3 3786 B11R0.176 CN(C)CCCNC(=O)CCO 240690a_102531767803_100011216618 [0,0,0,0,0,1|2,0,1]=4 3787 B11R0.176 CN(CCO)CCOCC(F)F 2230a_100000210263_200012177212 [0,0,0,0,0,1|3,0,0]=4 3788 B11R0.176 COCC(C)NCCCC(C)C 2230a_200000737386_100000765312 [0,0,0,0,0,1|2,0,0]=3 3789 B11R0.176 COCC(C)NCCCC(C)C 270004a_200000737386_100000749346 [0,0,0,0,0,1|2,0,0]=3 3790 B11R0.176 COCC(C)NCCCC(C)C 34a_200000737386_100000765312 [0,0,0,0,0,1|2,0,0]=3 3791 B11R0.176 COCC(C)NCCCN(C)C 270004a_102531767803_100000749346 [0,0,0,0,0,1|3,0,0]=4 3792 B11R0.176 COCC(C)NCCOC(C)C 2230a_100000701111_100000765312 [0,0,0,0,0,1|3,0,0]=4 3793 B11R0.176 COCC(C)NCCOC(C)C 270004a_100000701111_100000749346 [0,0,0,0,0,1|3,0,0]=4 3794 B11R0.176 COCC(C)NCCOC(C)C 34a_100000701111_100000765312 [0,0,0,0,0,1|3,0,0]=4 3795 B11R0.176 COCC(C)NCCSC(C)C 2230a_100000731138_100000765312 [0,0,0,0,0,1|3,0,0]=4 3796 B11R0.176 COCC(C)NCCSC(C)C 270004a_100000731138_100000749346 [0,0,0,0,0,1|3,0,0]=4 3797 B11R0.176 COCC(C)NCCSC(C)C 34a_100000731138_100000765312 [0,0,0,0,0,1|3,0,0]=4 3798 B11R0.176 COCC(C)OCCCC(C)C 34a_100000210774_100000765312 [0,0,0,0,0,1|2,0,0]=3 3799 B11R0.176 COCC(C)OCCCC(C)C 7a_100000210774_100000765312 [0,0,0,0,0,1|2,0,0]=3 3800 B11R0.176 COCC(C)OCCNC(C)C 34a_100000224655_100000765312 [0,0,0,0,0,1|3,0,0]=4 3801 B11R0.176 COCC(C)OCCOC(C)C 34a_100000211219_100000765312 [0,0,0,0,0,1|3,0,0]=4 3802 B11R0.176 COCC(C)OCCOC(C)C 7a_100000211219_100000765312 [0,0,0,0,0,1|3,0,0]=4 3803 B11R0.176 COCC(C)OCCSC(C)C 34a_200011212901_100000765312 [0,0,0,0,0,1|3,0,0]=4 3804 B11R0.176 COCC(C)OCCSC(C)C 7a_200011212901_100000765312 [0,0,0,0,0,1|3,0,0]=4 3805 B11R0.176 COCC(C)SCCCC(C)C 62a_100000765312_100011214892 [0,0,0,0,0,1|2,0,0]=3 3806 B11R0.176 COCC(C)SCCCC(C)C 62a_100011214892_100000765312 [0,0,0,0,0,1|2,0,0]=3 3807 B11R0.176 COCC(C)SCCCC(C)O 62a_100000765312_200000718107 [0,0,0,0,0,1|3,0,0]=4 3808 B11R0.176 COCC(C)SCCCC(C)O 62a_200000718107_100000765312 [0,0,0,0,0,1|3,0,0]=4 3809 B11R0.176 COCC(C)SCCCN(C)C 62a_100000765312_100000757444 [0,0,0,0,0,1|3,0,0]=4 3810 B11R0.176 COCC(C)SCCOC(C)C 62a_100000211751_100000765312 [0,0,0,0,0,1|3,0,0]=4 3811 B11R0.176 COCC(C)SCCOC(C)C 62a_100000765312_100000211751 [0,0,0,0,0,1|3,0,0]=4 3812 B11R0.176 COCC(C)SCCSC(C)C 62a_100000730970_100000765312 [0,0,0,0,0,1|3,0,0]=4 3813 B11R0.176 COCC(C)SCCSC(C)C 62a_100000765312_100000730970 [0,0,0,0,0,1|3,0,0]=4 3814 B11R0.176 COCC(N)COCCC(C)C 34a_100000724102_100000210312 [0,0,0,0,0,1|3,0,0]=4 3815 B11R0.176 COCC(O)CNCCC(C)C 2230a_100000756049_100000210312 [0,0,0,0,0,1|3,0,0]=4 3816 B11R0.176 COCC(O)CNCCC(C)C 269862a_100000756049_100000185833 [0,0,0,0,0,1|3,0,0]=4 3817 B11R0.176 COCC(O)CNCCC(C)C 34a_100000756049_100000210312 [0,0,0,0,0,1|3,0,0]=4 3818 B11R0.176 COCC(O)COCCC(C)C 34a_100000210254_100011215053 [0,0,0,0,0,1|3,0,0]=4 3819 B11R0.176 COCC(O)COCCC(C)C 7a_100000210254_100011215053 [0,0,0,0,0,1|3,0,0]=4 3820 B11R0.176 COCC(O)CSCCC(C)C 62a_100000210312_100011215053 [0,0,0,0,0,1|3,0,0]=4 3821 B11R0.176 COCC(O)CSCCC(C)C 62a_100011215053_100000210312 [0,0,0,0,0,1|3,0,0]=4 3822 B11R0.176 COC[C@@H](C)NCCCC(C)C 2230a_100000764878_100011214892 [0,0,0,0,0,1|2,0,0]=3 3823 B11R0.176 COC[C@@H](C)NCCCC(C)O 2230a_100000764878_200000718107 [0,0,0,0,0,1|3,0,0]=4 3824 B11R0.176 COC[C@@H](C)NCCOC(C)C 2230a_100000764878_100000211751 [0,0,0,0,0,1|3,0,0]=4 3825 B11R0.176 COC[C@@H](C)NCCSC(C)C 2230a_100000764878_100000730970 [0,0,0,0,0,1|3,0,0]=4 3826 B11R0.176 COC[C@@H](C)OCCCC(C)C 34a_100011934205_100011214892 [0,0,0,0,0,1|2,0,0]=3 3827 B11R0.176 COC[C@@H](C)OCCCC(C)O 34a_100011934205_200000718107 [0,0,0,0,0,1|3,0,0]=4 3828 B11R0.176 COC[C@@H](C)OCCOC(C)C 34a_100011934205_100000211751 [0,0,0,0,0,1|3,0,0]=4 3829 B11R0.176 COC[C@@H](C)OCCSC(C)C 34a_100011934205_100000730970 [0,0,0,0,0,1|3,0,0]=4 3830 B11R0.176 CSCC(C)NCCCC(C)C 270004a_200000737386_100011216314 [0,0,0,0,0,1|2,0,0]=3 3831 B11R0.176 CSCC(C)NCCCN(C)C 270004a_102531767803_100011216314 [0,0,0,0,0,1|3,0,0]=4 3832 B11R0.176 CSCC(C)NCCOC(C)C 270004a_100000701111_100011216314 [0,0,0,0,0,1|3,0,0]=4 3833 B11R0.176 CSCC(C)NCCSC(C)C 270004a_100000731138_100011216314 [0,0,0,0,0,1|3,0,0]=4 3834 B11R0.176 C[C@H](CCO)NCCCC(=O)N 34a_100000706166_100102525003 [0,0,0,0,0,1|2,0,1]=4 3835 B8R0.6 CC(CO)CCNCF 34a_106354213184_100015361967 [2,0,0,0,0,0|2,0,0]=4 3836 B8R0.6 CC(CO)CNCCF 34a_100000744482_100011217306 [2,0,0,0,0,0|2,0,0]=4 3837 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [2,0,0,0,0,0|2,0,0]=4 3838 B8R0.6 CC(CO)NCCCF 2230a_100015189416_100012180447 [2,0,0,0,0,0|2,0,0]=4 3839 B8R0.6 CC(CO)NCCCF 34a_100015189416_100012180447 [2,0,0,0,0,0|2,0,0]=4 3840 B8R0.6 CC(CO)OCCCBr 34a_100011217188_100012180447 [2,0,0,0,0,0|2,0,0]=4 3841 B8R0.6 CC(CO)OCCCCl 34a_100000230001_100012180447 [2,0,0,0,0,0|2,0,0]=4 3842 B8R0.6 CC(CO)OCCCF 34a_100000759539_100012180447 [2,0,0,0,0,0|2,0,0]=4 3843 B8R0.6 CC(CO)OCCCN 34a_100000182051_100012180447 [2,0,0,0,0,0|2,0,0]=4 3844 B8R0.6 CC(CO)SCCCF 62a_100012180447_100011934791 [2,0,0,0,0,0|2,0,0]=4 3845 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [2,0,0,0,0,0|2,0,0]=4 3846 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [2,0,0,0,0,0|1,0,0]=3 3847 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [2,0,0,0,0,0|1,0,0]=3 3848 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [2,0,0,0,0,0|2,0,0]=4 3849 B8R0.6 CCC(C)CNCCF 2230a_100020588543_100011217306 [2,0,0,0,0,0|2,0,0]=4 3850 B8R0.6 CCC(C)CNCCF 34a_100000724931_100000748023 [2,0,0,0,0,0|2,0,0]=4 3851 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [2,0,0,0,0,0|2,0,0]=4 3852 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [2,0,0,0,0,0|2,0,0]=4 3853 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [2,0,0,0,0,0|2,0,0]=4 3854 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [2,0,0,0,0,0|2,0,0]=4 3855 B8R0.6 CCC(C)CNCOC 2230a_100020588543_100000766300 [2,0,0,0,0,0|2,0,0]=4 3856 B8R0.6 CCC(C)CNCSC 2230a_100020588543_100011218213 [2,0,0,0,0,0|2,0,0]=4 3857 B8R0.6 CCC(C)COCCBr 34a_100000211926_100000748023 [2,0,0,0,0,0|2,0,0]=4 3858 B8R0.6 CCC(C)COCCN 34a_100000210304_100000748023 [2,0,0,0,0,0|2,0,0]=4 3859 B8R0.6 CCC(C)CSCCF 62a_100000748023_100011217306 [2,0,0,0,0,0|2,0,0]=4 3860 B8R0.6 CCC(C)CSCCF 62a_100011217306_100000748023 [2,0,0,0,0,0|2,0,0]=4 3861 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [2,0,0,0,0,0|2,0,0]=4 3862 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [2,0,0,0,0,0|2,0,0]=4 3863 B8R0.6 CCC(C)CSCOC 62a_100000748023_100000766300 [2,0,0,0,0,0|2,0,0]=4 3864 B8R0.6 CCC(C)CSCOC 62a_100000766300_100000748023 [2,0,0,0,0,0|2,0,0]=4 3865 B8R0.6 CCC(C)CSCSC 62a_100000748023_100011218213 [2,0,0,0,0,0|2,0,0]=4 3866 B8R0.6 CCC(C)CSCSC 62a_100011218213_100000748023 [2,0,0,0,0,0|2,0,0]=4 3867 B8R0.6 CCC(C)NCCCF 2230a_100000209981_100011934791 [2,0,0,0,0,0|2,0,0]=4 3868 B8R0.6 CCC(C)NCCCF 2230a_100015189416_100000758301 [2,0,0,0,0,0|2,0,0]=4 3869 B8R0.6 CCC(C)NCCCF 34a_100015189416_100011215416 [2,0,0,0,0,0|2,0,0]=4 3870 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [2,0,0,0,0,0|2,0,0]=4 3871 B8R0.6 CCC(C)NCCOC 2230a_100000209980_100000758301 [2,0,0,0,0,0|2,0,0]=4 3872 B8R0.6 CCC(C)NCCOC 2230a_100000209981_100011201679 [2,0,0,0,0,0|2,0,0]=4 3873 B8R0.6 CCC(C)NCCSC 2230a_100000209981_100000751147 [2,0,0,0,0,0|2,0,0]=4 3874 B8R0.6 CCC(C)NCCSC 2230a_100020590264_100000758301 [2,0,0,0,0,0|2,0,0]=4 3875 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [2,0,0,0,0,0|2,0,0]=4 3876 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [2,0,0,0,0,0|2,0,0]=4 3877 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [2,0,0,0,0,0|2,0,0]=4 3878 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [2,0,0,0,0,0|2,0,0]=4 3879 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [2,0,0,0,0,0|2,0,0]=4 3880 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [2,0,0,0,0,0|2,0,0]=4 3881 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [2,0,0,0,0,0|2,0,0]=4 3882 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [2,0,0,0,0,0|2,0,0]=4 3883 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [2,0,0,0,0,0|2,0,0]=4 3884 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [2,0,0,0,0,0|2,0,0]=4 3885 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [2,0,0,0,0,0|2,0,0]=4 3886 B8R0.6 CCC(C)SCCCF 62a_100000758301_100011934791 [2,0,0,0,0,0|2,0,0]=4 3887 B8R0.6 CCC(C)SCCCF 62a_100011934791_100000758301 [2,0,0,0,0,0|2,0,0]=4 3888 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [2,0,0,0,0,0|2,0,0]=4 3889 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [2,0,0,0,0,0|2,0,0]=4 3890 B8R0.6 CCC(C)SCCOC 62a_100000233755_100000758301 [2,0,0,0,0,0|2,0,0]=4 3891 B8R0.6 CCC(C)SCCOC 62a_100000758301_100000233755 [2,0,0,0,0,0|2,0,0]=4 3892 B8R0.6 CCC(C)SCCSC 62a_100000212216_100000758301 [2,0,0,0,0,0|2,0,0]=4 3893 B8R0.6 CCC(C)SCCSC 62a_100000758301_100000751147 [2,0,0,0,0,0|2,0,0]=4 3894 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [2,0,0,0,0,0|1,0,1]=4 3895 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [2,0,0,0,0,0|1,0,1]=4 3896 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [2,0,0,0,0,0|1,0,1]=4 3897 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [2,0,0,0,0,0|1,0,0]=3 3898 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [2,0,0,0,0,0|1,0,0]=3 3899 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [2,0,0,0,0,0|1,0,0]=3 3900 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [2,0,0,0,0,0|1,0,0]=3 3901 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [2,0,0,0,0,0|1,0,0]=3 3902 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [2,0,0,0,0,0|1,0,0]=3 3903 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [2,0,0,0,0,0|1,0,0]=3 3904 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [2,0,0,0,0,0|1,0,0]=3 3905 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [2,0,0,0,0,0|1,0,0]=3 3906 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [2,0,0,0,0,0|1,0,0]=3 3907 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [2,0,0,0,0,0|1,0,0]=3 3908 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [2,0,0,0,0,0|1,0,0]=3 3909 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [2,0,0,0,0,0|1,0,0]=3 3910 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [2,0,0,0,0,0|1,0,0]=3 3911 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [2,0,0,0,0,0|1,0,0]=3 3912 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [2,0,0,0,0,0|1,0,0]=3 3913 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [2,0,0,0,0,0|1,0,0]=3 3914 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [2,0,0,0,0,0|1,0,0]=3 3915 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [2,0,0,0,0,0|1,0,0]=3 3916 B8R0.6 CCCCCN(C)CF 269982a_100000223495_100015361967 [2,0,0,0,0,0|2,0,0]=4 3917 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [2,0,0,0,0,0|1,0,0]=3 3918 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [2,0,0,0,0,0|1,0,0]=3 3919 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [2,0,0,0,0,0|1,0,0]=3 3920 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [2,0,0,0,0,0|1,0,0]=3 3921 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [2,0,0,0,0,0|1,0,0]=3 3922 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [2,0,0,0,0,0|1,0,0]=3 3923 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [2,0,0,0,0,0|1,0,0]=3 3924 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [2,0,0,0,0,0|1,0,0]=3 3925 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [2,0,0,0,0,0|1,0,0]=3 3926 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [2,0,0,0,0,0|2,0,0]=4 3927 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [2,0,0,0,0,0|2,0,0]=4 3928 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [2,0,0,0,0,0|2,0,0]=4 3929 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [2,0,0,0,0,0|1,0,0]=3 3930 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [2,0,0,0,0,0|1,0,0]=3 3931 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [2,0,0,0,0,0|1,0,0]=3 3932 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [2,0,0,0,0,0|1,0,0]=3 3933 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [2,0,0,0,0,0|1,0,0]=3 3934 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [2,0,0,0,0,0|2,0,0]=4 3935 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [2,0,0,0,0,0|2,0,0]=4 3936 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [2,0,0,0,0,0|1,0,0]=3 3937 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [2,0,0,0,0,0|1,0,0]=3 3938 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [2,0,0,0,0,0|1,0,0]=3 3939 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [2,0,0,0,0,0|1,0,0]=3 3940 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [2,0,0,0,0,0|1,0,0]=3 3941 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [2,0,0,0,0,0|2,0,0]=4 3942 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [2,0,0,0,0,0|2,0,0]=4 3943 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [2,0,0,0,0,0|2,0,0]=4 3944 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [2,0,0,0,0,0|2,0,0]=4 3945 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [2,0,0,0,0,0|1,0,0]=3 3946 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [2,0,0,0,0,0|2,0,0]=4 3947 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [2,0,0,0,0,0|2,0,0]=4 3948 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [2,0,0,0,0,0|2,0,0]=4 3949 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [2,0,0,0,0,0|2,0,0]=4 3950 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [2,0,0,0,0,0|1,0,0]=3 3951 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [2,0,0,0,0,0|1,0,0]=3 3952 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [2,0,0,0,0,0|1,0,0]=3 3953 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [2,0,0,0,0,0|2,0,0]=4 3954 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [2,0,0,0,0,0|1,0,0]=3 3955 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [2,0,0,0,0,0|1,0,0]=3 3956 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [2,0,0,0,0,0|2,0,0]=4 3957 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [2,0,0,0,0,0|2,0,0]=4 3958 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [2,0,0,0,0,0|2,0,0]=4 3959 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [2,0,0,0,0,0|2,0,0]=4 3960 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [2,0,0,0,0,0|2,0,0]=4 3961 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [2,0,0,0,0,0|1,0,0]=3 3962 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [2,0,0,0,0,0|1,0,0]=3 3963 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [2,0,0,0,0,0|1,0,0]=3 3964 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [2,0,0,0,0,0|1,0,0]=3 3965 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [2,0,0,0,0,0|2,0,0]=4 3966 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [2,0,0,0,0,0|2,0,0]=4 3967 B8R0.6 CCN(C)CCCCF 2230a_100000225621_100000729493 [2,0,0,0,0,0|2,0,0]=4 3968 B8R0.6 CCN(C)CCCCF 269982a_100000225621_100000729493 [2,0,0,0,0,0|2,0,0]=4 3969 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [2,0,0,0,0,0|2,0,0]=4 3970 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [2,0,0,0,0,0|2,0,0]=4 3971 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [2,0,0,0,0,0|2,0,0]=4 3972 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [2,0,0,0,0,0|2,0,0]=4 3973 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [2,0,0,0,0,0|2,0,0]=4 3974 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [2,0,0,0,0,0|2,0,0]=4 3975 B8R0.6 CCN(C)CCCNC 2230a_106832991635_100015186262 [2,0,0,0,0,0|2,0,0]=4 3976 B8R0.6 CCN(C)CCCNC 7a_106832991635_100015186262 [2,0,0,0,0,0|2,0,0]=4 3977 B8R0.6 CCN(C)CCCOC 2230a_100000224831_100000210202 [2,0,0,0,0,0|2,0,0]=4 3978 B8R0.6 CCN(C)CCCOC 2230a_100000225621_100000740836 [2,0,0,0,0,0|2,0,0]=4 3979 B8R0.6 CCN(C)CCCOC 269982a_100000224831_100000204670 [2,0,0,0,0,0|2,0,0]=4 3980 B8R0.6 CCN(C)CCCOC 269982a_100000225621_100000740836 [2,0,0,0,0,0|2,0,0]=4 3981 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [2,0,0,0,0,0|2,0,0]=4 3982 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [2,0,0,0,0,0|2,0,0]=4 3983 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [2,0,0,0,0,0|2,0,0]=4 3984 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [2,0,0,0,0,0|2,0,0]=4 3985 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [2,0,0,0,0,0|1,0,0]=3 3986 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [2,0,0,0,0,0|1,0,0]=3 3987 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [2,0,0,0,0,0|1,0,0]=3 3988 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [2,0,0,0,0,0|1,0,0]=3 3989 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [2,0,0,0,0,0|2,0,0]=4 3990 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [2,0,0,0,0,0|2,0,0]=4 3991 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [2,0,0,0,0,0|2,0,0]=4 3992 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [2,0,0,0,0,0|2,0,0]=4 3993 B8R0.6 CCOCSC(C)CC 62a_100000739092_100000758301 [2,0,0,0,0,0|2,0,0]=4 3994 B8R0.6 CCOCSC(C)CC 62a_100000758301_100000739092 [2,0,0,0,0,0|2,0,0]=4 3995 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [2,0,0,0,0,0|2,0,0]=4 3996 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [2,0,0,0,0,0|2,0,0]=4 3997 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [2,0,0,0,0,0|2,0,0]=4 3998 B8R0.6 CCSCCN(C)CC 2230a_100000225621_100000757381 [2,0,0,0,0,0|2,0,0]=4 3999 B8R0.6 CCSCCN(C)CC 269982a_100000225621_100000757381 [2,0,0,0,0,0|2,0,0]=4 4000 B8R0.6 CC[C@H](C)CNCCF 34a_100000724931_100009816398 [2,0,0,0,0,0|2,0,0]=4 4001 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [2,0,0,0,0,0|2,0,0]=4 4002 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [2,0,0,0,0,0|2,0,0]=4 4003 B8R0.6 CC[C@H](C)COCCBr 34a_100000211926_100009816398 [2,0,0,0,0,0|2,0,0]=4 4004 B8R0.6 CC[C@H](C)COCCF 7a_100009816381_100011217306 [2,0,0,0,0,0|2,0,0]=4 4005 B8R0.6 CC[C@H](C)COCCN 34a_100000210304_100009816398 [2,0,0,0,0,0|2,0,0]=4 4006 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [2,0,0,0,0,0|2,0,0]=4 4007 B8R0.6 CC[C@H](C)CSCCF 62a_100009816398_100011217306 [2,0,0,0,0,0|2,0,0]=4 4008 B8R0.6 CC[C@H](C)CSCCF 62a_100011217306_100009816398 [2,0,0,0,0,0|2,0,0]=4 4009 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [2,0,0,0,0,0|2,0,0]=4 4010 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [2,0,0,0,0,0|2,0,0]=4 4011 B8R0.6 CC[C@H](C)CSCOC 62a_100000766300_100009816398 [2,0,0,0,0,0|2,0,0]=4 4012 B8R0.6 CC[C@H](C)CSCOC 62a_100009816398_100000766300 [2,0,0,0,0,0|2,0,0]=4 4013 B8R0.6 CC[C@H](C)CSCSC 62a_100009816398_100011218213 [2,0,0,0,0,0|2,0,0]=4 4014 B8R0.6 CC[C@H](C)CSCSC 62a_100011218213_100009816398 [2,0,0,0,0,0|2,0,0]=4 4015 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [2,0,0,0,0,0|2,0,0]=4 4016 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [2,0,0,0,0,0|2,0,0]=4 4017 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [2,0,0,0,0,0|2,0,0]=4 4018 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [2,0,0,0,0,0|2,0,0]=4 4019 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [2,0,0,0,0,0|2,0,0]=4 4020 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [2,0,0,0,0,0|2,0,0]=4 4021 B8R0.6 COCCNC(C)CO 2230a_100000209980_100012180447 [2,0,0,0,0,0|2,0,0]=4 4022 B8R0.6 COCCN[C@H](C)CO 2230a_100000737577_100011201679 [2,0,0,0,0,0|2,0,0]=4 4023 B8R0.6 COCCOC(C)CO 34a_100000210237_100012180447 [2,0,0,0,0,0|2,0,0]=4 4024 B8R0.6 COCCSC(C)CO 62a_100012180447_100000233755 [2,0,0,0,0,0|2,0,0]=4 4025 B8R0.6 COCCS[C@H](C)CO 62a_100000233755_100016084084 [2,0,0,0,0,0|2,0,0]=4 4026 B8R0.6 COCCS[C@H](C)CO 62a_100016084084_100000233755 [2,0,0,0,0,0|2,0,0]=4 4027 B8R0.6 COCSC[C@@H](C)CO 62a_100000059175_100000766300 [2,0,0,0,0,0|2,0,0]=4 4028 B8R0.6 COCSC[C@@H](C)CO 62a_100000766300_100000059175 [2,0,0,0,0,0|2,0,0]=4 4029 B8R0.6 CSCCNC(C)CO 2230a_100020590264_100012180447 [2,0,0,0,0,0|2,0,0]=4 4030 B8R0.6 CSCCN[C@H](C)CO 2230a_100000737577_100000751147 [2,0,0,0,0,0|2,0,0]=4 4031 B8R0.6 CSCCOC(C)CO 34a_100000230434_100012180447 [2,0,0,0,0,0|2,0,0]=4 4032 B8R0.6 CSCCOC(C)CO 7a_100000230434_100012180447 [2,0,0,0,0,0|2,0,0]=4 4033 B8R0.6 CSCCSC(C)CO 62a_100012180447_100000751147 [2,0,0,0,0,0|2,0,0]=4 4034 B8R0.6 CSCCS[C@H](C)CO 62a_100000212216_100016084084 [2,0,0,0,0,0|2,0,0]=4 4035 B8R0.6 CSCCS[C@H](C)CO 62a_100016084084_100000751147 [2,0,0,0,0,0|2,0,0]=4 4036 B8R0.6 CSCNCC(C)CO 34a_100000744482_100011218213 [2,0,0,0,0,0|2,0,0]=4 4037 B8R0.6 CSCSC[C@@H](C)CO 62a_100000059175_100011218213 [2,0,0,0,0,0|2,0,0]=4 4038 B8R0.6 CSCSC[C@@H](C)CO 62a_100011218213_100000059175 [2,0,0,0,0,0|2,0,0]=4 4039 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [2,0,0,0,0,0|2,0,0]=4 4040 B8R0.6 C[C@@H](CO)CNCCF 34a_100000724931_100000059175 [2,0,0,0,0,0|2,0,0]=4 4041 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [2,0,0,0,0,0|2,0,0]=4 4042 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [2,0,0,0,0,0|2,0,0]=4 4043 B8R0.6 C[C@@H](CO)COCCBr 34a_100000211926_100000059175 [2,0,0,0,0,0|2,0,0]=4 4044 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [2,0,0,0,0,0|2,0,0]=4 4045 B8R0.6 C[C@@H](CO)CSCCF 62a_100000059175_100011217306 [2,0,0,0,0,0|2,0,0]=4 4046 B8R0.6 C[C@@H](CO)CSCCF 62a_100011217306_100000059175 [2,0,0,0,0,0|2,0,0]=4 4047 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [2,0,0,0,0,0|2,0,0]=4 4048 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [2,0,0,0,0,0|2,0,0]=4 4049 B8R0.6 C[C@H](CO)NCCCF 2230a_100000737577_100011934791 [2,0,0,0,0,0|2,0,0]=4 4050 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [2,0,0,0,0,0|2,0,0]=4 4051 B8R0.6 C[C@H](CO)SCCCF 62a_100011934791_100016084084 [2,0,0,0,0,0|2,0,0]=4 4052 B8R0.6 C[C@H](CO)SCCCF 62a_100016084084_100011934791 [2,0,0,0,0,0|2,0,0]=4 4053 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [2,0,0,0,0,0|2,0,0]=4 4054 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [2,0,0,0,0,0|2,0,0]=4 4055 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [2,0,0,0,0,0|1,0,1]=4 4056 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [2,0,0,0,0,0|1,0,1]=4 4057 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [2,0,0,0,0,0|2,0,0]=4 4058 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [2,0,0,0,0,0|2,0,0]=4 4059 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [2,0,0,0,0,0|1,0,0]=3 4060 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [2,0,0,0,0,0|1,0,0]=3 4061 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [2,0,0,0,0,0|1,0,0]=3 4062 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [2,0,0,0,0,0|1,0,0]=3 4063 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [2,0,0,0,0,0|2,0,0]=4 4064 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [2,0,0,0,0,0|2,0,0]=4 4065 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [2,0,0,0,0,0|2,0,0]=4 4066 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [2,0,0,0,0,0|2,0,0]=4 4067 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [2,0,0,0,0,0|2,0,0]=4 4068 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [2,0,0,0,0,0|2,0,0]=4 4069 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [2,0,0,0,0,0|2,0,0]=4 4070 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [2,0,0,0,0,0|1,0,0]=3 4071 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [2,0,0,0,0,0|1,0,0]=3 4072 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [2,0,0,0,0,0|1,0,0]=3 4073 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [2,0,0,0,0,0|2,0,0]=4 4074 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [2,0,0,0,0,0|2,0,0]=4 4075 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [2,0,0,0,0,0|2,0,0]=4 4076 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [2,0,0,0,0,0|2,0,0]=4 4077 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [2,0,0,0,0,0|1,0,0]=3 4078 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [2,0,0,0,0,0|1,0,0]=3 4079 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [2,0,0,0,0,0|2,0,0]=4 4080 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [2,0,0,0,0,0|2,0,0]=4 4081 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [2,0,0,0,0,0|1,0,0]=3 4082 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [2,0,0,0,0,0|1,0,0]=3 4083 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [2,0,0,0,0,0|2,0,0]=4 4084 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [2,0,0,0,0,0|2,0,0]=4 4085 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [2,0,0,0,0,0|2,0,0]=4 4086 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [2,0,0,0,0,0|2,0,0]=4 4087 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [2,0,0,0,0,0|2,0,0]=4 4088 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [2,0,0,0,0,0|1,0,0]=3 4089 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [2,0,0,0,0,0|1,0,0]=3 4090 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [2,0,0,0,0,0|1,0,0]=3 4091 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [2,0,0,0,0,0|2,0,0]=4 4092 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [2,0,0,0,0,0|2,0,0]=4 4093 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [2,0,0,0,0,0|2,0,0]=4 4094 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [2,0,0,0,0,0|2,0,0]=4 4095 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [2,0,0,0,0,0|2,0,0]=4 4096 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [2,0,0,0,0,0|2,0,0]=4 4097 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [2,0,0,0,0,0|1,0,0]=3 4098 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [2,0,0,0,0,0|2,0,0]=4 4099 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [2,0,0,0,0,0|2,0,0]=4 4100 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [2,0,0,0,0,0|2,0,0]=4 4101 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [2,0,0,0,0,0|2,0,0]=4 4102 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [2,0,0,0,0,0|1,0,0]=3 4103 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [2,0,0,0,0,0|1,0,0]=3 4104 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [2,0,0,0,0,0|2,0,0]=4 4105 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [2,0,0,0,0,0|2,0,0]=4 4106 B8R0.7 CC(C)NCCCCF 2230a_100138425928_100000729493 [2,0,0,0,0,0|2,0,0]=4 4107 B8R0.7 CC(C)NCCCCF 34a_100138425928_100000729493 [2,0,0,0,0,0|2,0,0]=4 4108 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [2,0,0,0,0,0|1,0,0]=3 4109 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [2,0,0,0,0,0|1,0,0]=3 4110 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [2,0,0,0,0,0|1,0,0]=3 4111 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [2,0,0,0,0,0|1,0,0]=3 4112 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [2,0,0,0,0,0|2,0,0]=4 4113 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [2,0,0,0,0,0|2,0,0]=4 4114 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [2,0,0,0,0,0|2,0,0]=4 4115 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [2,0,0,0,0,0|2,0,0]=4 4116 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [2,0,0,0,0,0|2,0,0]=4 4117 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [2,0,0,0,0,0|2,0,0]=4 4118 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [2,0,0,0,0,0|2,0,0]=4 4119 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [2,0,0,0,0,0|2,0,0]=4 4120 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [2,0,0,0,0,0|2,0,0]=4 4121 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [2,0,0,0,0,0|1,0,0]=3 4122 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [2,0,0,0,0,0|2,0,0]=4 4123 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [2,0,0,0,0,0|2,0,0]=4 4124 B8R0.7 CC(C)OCNCCO 2230a_100016997473_100000709892 [2,0,0,0,0,0|2,0,0]=4 4125 B8R0.7 CC(C)OCNCCO 34a_100016990907_100000709892 [2,0,0,0,0,0|2,0,0]=4 4126 B8R0.7 CC(C)OCSCCO 62a_100000211926_100000709892 [2,0,0,0,0,0|2,0,0]=4 4127 B8R0.7 CC(C)OCSCCO 62a_100000709892_100000211926 [2,0,0,0,0,0|2,0,0]=4 4128 B8R0.7 CC(C)SCCCCF 62a_100000210206_100000729493 [2,0,0,0,0,0|2,0,0]=4 4129 B8R0.7 CC(C)SCCCCF 62a_100000729493_100000210206 [2,0,0,0,0,0|2,0,0]=4 4130 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [2,0,0,0,0,0|1,0,0]=3 4131 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [2,0,0,0,0,0|1,0,0]=3 4132 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [2,0,0,0,0,0|2,0,0]=4 4133 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [2,0,0,0,0,0|2,0,0]=4 4134 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [2,0,0,0,0,0|2,0,0]=4 4135 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [2,0,0,0,0,0|2,0,0]=4 4136 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [2,0,0,0,0,0|2,0,0]=4 4137 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [2,0,0,0,0,0|2,0,0]=4 4138 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [2,0,0,0,0,0|2,0,0]=4 4139 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [2,0,0,0,0,0|2,0,0]=4 4140 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [2,0,0,0,0,0|2,0,0]=4 4141 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [2,0,0,0,0,0|2,0,0]=4 4142 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [2,0,0,0,0,0|1,0,1]=4 4143 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [2,0,0,0,0,0|1,0,1]=4 4144 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [2,0,0,0,0,0|1,0,1]=4 4145 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [2,0,0,0,0,0|1,0,0]=3 4146 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [2,0,0,0,0,0|1,0,0]=3 4147 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [2,0,0,0,0,0|1,0,0]=3 4148 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [2,0,0,0,0,0|1,0,0]=3 4149 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [2,0,0,0,0,0|1,0,0]=3 4150 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [2,0,0,0,0,0|1,0,0]=3 4151 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [2,0,0,0,0,0|1,0,0]=3 4152 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [2,0,0,0,0,0|1,0,0]=3 4153 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [2,0,0,0,0,0|1,0,0]=3 4154 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [2,0,0,0,0,0|1,0,0]=3 4155 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [2,0,0,0,0,0|1,0,0]=3 4156 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [2,0,0,0,0,0|1,0,0]=3 4157 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [2,0,0,0,0,0|1,0,0]=3 4158 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [2,0,0,0,0,0|1,0,0]=3 4159 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [2,0,0,0,0,0|1,0,0]=3 4160 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [2,0,0,0,0,0|1,0,0]=3 4161 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [2,0,0,0,0,0|1,0,0]=3 4162 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [2,0,0,0,0,0|1,0,0]=3 4163 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [2,0,0,0,0,0|1,0,0]=3 4164 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [2,0,0,0,0,0|2,0,0]=4 4165 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [2,0,0,0,0,0|2,0,0]=4 4166 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [2,0,0,0,0,0|2,0,0]=4 4167 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [2,0,0,0,0,0|2,0,0]=4 4168 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [2,0,0,0,0,0|2,0,0]=4 4169 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [2,0,0,0,0,0|2,0,0]=4 4170 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [2,0,0,0,0,0|2,0,0]=4 4171 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [2,0,0,0,0,0|1,0,0]=3 4172 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [2,0,0,0,0,0|1,0,0]=3 4173 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [2,0,0,0,0,0|1,0,0]=3 4174 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [2,0,0,0,0,0|2,0,0]=4 4175 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [2,0,0,0,0,0|2,0,0]=4 4176 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [2,0,0,0,0,0|2,0,0]=4 4177 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [2,0,0,0,0,0|2,0,0]=4 4178 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [2,0,0,0,0,0|2,0,0]=4 4179 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [2,0,0,0,0,0|2,0,0]=4 4180 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [2,0,0,0,0,0|2,0,0]=4 4181 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [2,0,0,0,0,0|2,0,0]=4 4182 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [2,0,0,0,0,0|2,0,0]=4 4183 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [2,0,0,0,0,0|1,0,0]=3 4184 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [2,0,0,0,0,0|1,0,0]=3 4185 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [2,0,0,0,0,0|2,0,0]=4 4186 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [2,0,0,0,0,0|2,0,0]=4 4187 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [2,0,0,0,0,0|2,0,0]=4 4188 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [2,0,0,0,0,0|2,0,0]=4 4189 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [2,0,0,0,0,0|1,0,0]=3 4190 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [2,0,0,0,0,0|2,0,0]=4 4191 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [2,0,0,0,0,0|2,0,0]=4 4192 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [2,0,0,0,0,0|1,0,0]=3 4193 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [2,0,0,0,0,0|1,0,0]=3 4194 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [2,0,0,0,0,0|1,0,0]=3 4195 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [2,0,0,0,0,0|2,0,0]=4 4196 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [2,0,0,0,0,0|2,0,0]=4 4197 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [2,0,0,0,0,0|2,0,0]=4 4198 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [2,0,0,0,0,0|2,0,0]=4 4199 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [2,0,0,0,0,0|2,0,0]=4 4200 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [2,0,0,0,0,0|1,0,0]=3 4201 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [2,0,0,0,0,0|1,0,0]=3 4202 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [2,0,0,0,0,0|2,0,0]=4 4203 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [2,0,0,0,0,0|2,0,0]=4 4204 B8R0.7 CCCSCCN(C)C 62a_100000210303_100000755713 [2,0,0,0,0,0|2,0,0]=4 4205 B8R0.7 CCCSCOC(C)C 62a_100000210303_100000709892 [2,0,0,0,0,0|2,0,0]=4 4206 B8R0.7 CCCSCOC(C)C 62a_100000709892_100000210303 [2,0,0,0,0,0|2,0,0]=4 4207 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [2,0,0,0,0,0|1,0,0]=3 4208 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [2,0,0,0,0,0|1,0,0]=3 4209 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [2,0,0,0,0,0|1,0,0]=3 4210 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [2,0,0,0,0,0|2,0,0]=4 4211 B8R0.7 CCNCCOC(C)C 2230a_100000701111_100000210202 [2,0,0,0,0,0|2,0,0]=4 4212 B8R0.7 CCNCCOC(C)C 2230a_100015525214_100000211751 [2,0,0,0,0,0|2,0,0]=4 4213 B8R0.7 CCNCCOC(C)C 34a_100000701111_100000210202 [2,0,0,0,0,0|2,0,0]=4 4214 B8R0.7 CCNCCSC(C)C 2230a_100000731138_100000210202 [2,0,0,0,0,0|2,0,0]=4 4215 B8R0.7 CCNCCSC(C)C 2230a_100015525214_100000730970 [2,0,0,0,0,0|2,0,0]=4 4216 B8R0.7 CCNCCSC(C)C 34a_100000731138_100000210202 [2,0,0,0,0,0|2,0,0]=4 4217 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [2,0,0,0,0,0|1,0,0]=3 4218 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [2,0,0,0,0,0|1,0,0]=3 4219 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [2,0,0,0,0,0|1,0,0]=3 4220 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [2,0,0,0,0,0|2,0,0]=4 4221 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [2,0,0,0,0,0|2,0,0]=4 4222 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [2,0,0,0,0,0|2,0,0]=4 4223 B8R0.7 CCOCCNC(C)C 2230a_100138425928_100011215890 [2,0,0,0,0,0|2,0,0]=4 4224 B8R0.7 CCOCCNC(C)C 2230a_102516460346_100000210206 [2,0,0,0,0,0|2,0,0]=4 4225 B8R0.7 CCOCCNC(C)C 34a_100000224655_100000210202 [2,0,0,0,0,0|2,0,0]=4 4226 B8R0.7 CCOCCNC(C)C 34a_100138425928_100000210147 [2,0,0,0,0,0|2,0,0]=4 4227 B8R0.7 CCOCCNC(C)C 34a_102516460346_100000210206 [2,0,0,0,0,0|2,0,0]=4 4228 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [2,0,0,0,0,0|2,0,0]=4 4229 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [2,0,0,0,0,0|2,0,0]=4 4230 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [2,0,0,0,0,0|2,0,0]=4 4231 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [2,0,0,0,0,0|2,0,0]=4 4232 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [2,0,0,0,0,0|2,0,0]=4 4233 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [2,0,0,0,0,0|2,0,0]=4 4234 B8R0.7 CCOCCSC(C)C 34a_100121572206_100000730970 [2,0,0,0,0,0|2,0,0]=4 4235 B8R0.7 CCOCCSC(C)C 34a_200011212901_100000210202 [2,0,0,0,0,0|2,0,0]=4 4236 B8R0.7 CCOCCSC(C)C 62a_100000210147_100000210206 [2,0,0,0,0,0|2,0,0]=4 4237 B8R0.7 CCOCCSC(C)C 62a_100000210206_100011215890 [2,0,0,0,0,0|2,0,0]=4 4238 B8R0.7 CCOCCSC(C)C 7a_200011212901_100000210202 [2,0,0,0,0,0|2,0,0]=4 4239 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [2,0,0,0,0,0|2,0,0]=4 4240 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [2,0,0,0,0,0|2,0,0]=4 4241 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [2,0,0,0,0,0|1,0,0]=3 4242 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [2,0,0,0,0,0|1,0,0]=3 4243 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [2,0,0,0,0,0|2,0,0]=4 4244 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [2,0,0,0,0,0|2,0,0]=4 4245 B8R0.7 CCSCCCN(C)C 62a_100000210202_100000757444 [2,0,0,0,0,0|2,0,0]=4 4246 B8R0.7 CCSCCNC(C)C 2230a_100000106463_100000210206 [2,0,0,0,0,0|2,0,0]=4 4247 B8R0.7 CCSCCNC(C)C 2230a_100138425928_100000757381 [2,0,0,0,0,0|2,0,0]=4 4248 B8R0.7 CCSCCNC(C)C 34a_100138425928_100000757381 [2,0,0,0,0,0|2,0,0]=4 4249 B8R0.7 CCSCCOC(C)C 34a_100000212035_100000210206 [2,0,0,0,0,0|2,0,0]=4 4250 B8R0.7 CCSCCOC(C)C 34a_100000212225_100000757381 [2,0,0,0,0,0|2,0,0]=4 4251 B8R0.7 CCSCCOC(C)C 62a_100000210202_100000211751 [2,0,0,0,0,0|2,0,0]=4 4252 B8R0.7 CCSCCOC(C)C 62a_100000211751_100000210202 [2,0,0,0,0,0|2,0,0]=4 4253 B8R0.7 CCSCCOC(C)C 7a_100000212035_100000210206 [2,0,0,0,0,0|2,0,0]=4 4254 B8R0.7 CCSCCSC(C)C 62a_100000210202_100000730970 [2,0,0,0,0,0|2,0,0]=4 4255 B8R0.7 CCSCCSC(C)C 62a_100000210206_100000757381 [2,0,0,0,0,0|2,0,0]=4 4256 B8R0.7 CCSCCSC(C)C 62a_100000730970_100000210202 [2,0,0,0,0,0|2,0,0]=4 4257 B8R0.7 CCSCCSC(C)C 62a_100000757381_100000210206 [2,0,0,0,0,0|2,0,0]=4 4258 B8R0.7 CN(C)CCCCCF 2230a_100102631434_100000729378 [2,0,0,0,0,0|2,0,0]=4 4259 B8R0.7 CN(C)CCCCCF 269982a_100102631434_100000729378 [2,0,0,0,0,0|2,0,0]=4 4260 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [2,0,0,0,0,0|1,0,0]=3 4261 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [2,0,0,0,0,0|1,0,0]=3 4262 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [2,0,0,0,0,0|1,0,0]=3 4263 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [2,0,0,0,0,0|1,0,0]=3 4264 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [2,0,0,0,0,0|2,0,0]=4 4265 B8R0.7 CN(C)CCOCCO 2230a_100000228057_200000210301 [2,0,0,0,0,0|2,0,0]=4 4266 B8R0.7 CN(C)CCOCCO 2230a_100102631434_100011215305 [2,0,0,0,0,0|2,0,0]=4 4267 B8R0.7 CN(C)CCOCCO 269982a_100000228057_200000210301 [2,0,0,0,0,0|2,0,0]=4 4268 B8R0.7 CN(C)CCOCCO 269982a_100102631434_100011215305 [2,0,0,0,0,0|2,0,0]=4 4269 B8R0.7 CN(C)CCSCCO 62a_100000211926_100000755713 [2,0,0,0,0,0|2,0,0]=4 4270 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [2,0,0,0,0,0|1,0,0]=3 4271 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [2,0,0,0,0,0|1,0,0]=3 4272 B8R0.7 CN([13CH3])CCOCCO 2230a_100000228057_200025704644 [2,0,0,0,0,0|2,0,0]=4 4273 B8R0.7 CN([13CH3])CCOCCO 269982a_100000228057_200025704644 [2,0,0,0,0,0|2,0,0]=4 4274 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [2,0,0,0,0,0|1,0,0]=3 4275 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [2,0,0,0,0,0|1,0,0]=3 4276 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [2,0,0,0,0,0|1,0,0]=3 4277 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [2,0,0,0,0,0|2,0,0]=4 4278 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [2,0,0,0,0,0|2,0,0]=4 4279 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [2,0,0,0,0,0|2,0,0]=4 4280 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [2,0,0,0,0,0|1,0,0]=3 4281 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [2,0,0,0,0,0|1,0,0]=3 4282 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [2,0,0,0,0,0|1,0,0]=3 4283 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [2,0,0,0,0,0|2,0,0]=4 4284 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [2,0,0,0,0,0|2,0,0]=4 4285 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [2,0,0,0,0,0|2,0,0]=4 4286 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [2,0,0,0,0,0|2,0,0]=4 4287 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [2,0,0,0,0,0|2,0,0]=4 4288 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [2,0,0,0,0,0|2,0,0]=4 4289 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [2,0,0,0,0,0|2,0,0]=4 4290 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [2,0,0,0,0,0|2,0,0]=4 4291 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [2,0,0,0,0,0|2,0,0]=4 4292 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [2,0,0,0,0,0|2,0,0]=4 4293 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [2,0,0,0,0,0|2,0,0]=4 4294 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [2,0,0,0,0,0|2,0,0]=4 4295 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [2,0,0,0,0,0|2,0,0]=4 4296 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [2,0,0,0,0,0|2,0,0]=4 4297 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [2,0,0,0,0,0|2,0,0]=4 4298 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [2,0,0,0,0,0|2,0,0]=4 4299 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [2,0,0,0,0,0|2,0,0]=4 4300 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [2,0,0,0,0,0|2,0,0]=4 4301 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [2,0,0,0,0,0|2,0,0]=4 4302 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [2,0,0,0,0,0|2,0,0]=4 4303 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [2,0,0,0,0,0|2,0,0]=4 4304 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [2,0,0,0,0,0|2,0,0]=4 4305 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [2,0,0,0,0,0|2,0,0]=4 4306 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [2,0,0,0,0,0|2,0,0]=4 4307 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [2,0,0,0,0,0|2,0,0]=4 4308 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [2,0,0,0,0,0|1,0,0]=3 4309 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [2,0,0,0,0,0|1,0,0]=3 4310 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [2,0,0,0,0,0|2,0,0]=4 4311 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [2,0,0,0,0,0|2,0,0]=4 4312 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [2,0,0,0,0,0|2,0,0]=4 4313 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [2,0,0,0,0,0|2,0,0]=4 4314 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [2,0,0,0,0,0|2,0,0]=4 4315 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [2,0,0,0,0,0|2,0,0]=4 4316 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [2,0,0,0,0,0|2,0,0]=4 4317 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [2,0,0,0,0,0|2,0,0]=4 4318 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [2,0,0,0,0,0|2,0,0]=4 4319 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [2,0,0,0,0,0|2,0,0]=4 4320 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [2,0,0,0,0,0|2,0,0]=4 4321 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [2,0,0,0,0,0|2,0,0]=4 4322 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [2,0,0,0,0,0|2,0,0]=4 4323 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [2,0,0,0,0,0|2,0,0]=4 4324 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [2,0,0,0,0,0|2,0,0]=4 4325 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [2,0,0,0,0,0|2,0,0]=4 4326 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [2,0,0,0,0,0|2,0,0]=4 4327 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [2,0,0,0,0,0|2,0,0]=4 4328 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [2,0,0,0,0,0|2,0,0]=4 4329 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [2,0,0,0,0,0|2,0,0]=4 4330 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [2,0,0,0,0,0|2,0,0]=4 4331 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [2,0,0,0,0,0|1,0,1]=4 4332 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [2,0,0,0,0,0|0,0,2]=4 4333 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [2,0,0,0,0,0|0,0,2]=4 4334 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [2,0,0,0,0,0|1,0,1]=4 4335 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [2,0,0,0,0,0|2,0,0]=4 4336 B8R0.28 CC(Br)COC[C@@H](C)O 34a_100012180447_100009817552 [2,0,0,0,0,0|2,0,0]=4 4337 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [2,0,0,0,0,0|0,0,2]=4 4338 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [2,0,0,0,0,0|1,0,0]=3 4339 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [2,0,0,0,0,0|1,0,0]=3 4340 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [2,0,0,0,0,0|1,0,0]=3 4341 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [2,0,0,0,0,0|1,0,0]=3 4342 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [2,0,0,0,0,0|1,0,0]=3 4343 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [2,0,0,0,0,0|1,0,0]=3 4344 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [2,0,0,0,0,0|1,0,0]=3 4345 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [2,0,0,0,0,0|1,0,0]=3 4346 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [2,0,0,0,0,0|1,0,0]=3 4347 B8R0.28 CC(C)CNCC(C)C 2230a_100000210953_100000210760 [2,0,0,0,0,0|1,0,0]=3 4348 B8R0.28 CC(C)CNCC(C)C 270004a_100000210953_100000210432 [2,0,0,0,0,0|1,0,0]=3 4349 B8R0.28 CC(C)CNCC(C)C 34a_100000210953_100000210624 [2,0,0,0,0,0|1,0,0]=3 4350 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [2,0,0,0,0,0|1,0,0]=3 4351 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [2,0,0,0,0,0|1,0,0]=3 4352 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [2,0,0,0,0,0|1,0,0]=3 4353 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [2,0,0,0,0,0|1,0,0]=3 4354 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [2,0,0,0,0,0|1,0,0]=3 4355 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [2,0,0,0,0,0|1,0,0]=3 4356 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [2,0,0,0,0,0|1,0,0]=3 4357 B8R0.28 CC(C)COCC(C)Br 34a_100012180447_100000210624 [2,0,0,0,0,0|2,0,0]=4 4358 B8R0.28 CC(C)COCC(C)C 34a_100000210257_100000210624 [2,0,0,0,0,0|1,0,0]=3 4359 B8R0.28 CC(C)COCC(C)F 34a_100015925927_100000210624 [2,0,0,0,0,0|2,0,0]=4 4360 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [2,0,0,0,0,0|1,0,0]=3 4361 B8R0.28 CC(C)COC[C@@H](C)Cl 34a_100016084084_100000210624 [2,0,0,0,0,0|2,0,0]=4 4362 B8R0.28 CC(C)COC[C@@H](C)N 34a_100000737577_100000210624 [2,0,0,0,0,0|2,0,0]=4 4363 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [2,0,0,0,0,0|1,0,0]=3 4364 B8R0.28 CC(C)CSCC(C)C 62a_100000210624_100000210760 [2,0,0,0,0,0|1,0,0]=3 4365 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [2,0,0,0,0,0|1,0,0]=3 4366 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [2,0,0,0,0,0|1,0,0]=3 4367 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [2,0,0,0,0,0|1,0,0]=3 4368 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [2,0,0,0,0,0|1,0,0]=3 4369 B8R0.28 CC(C)NCOC(C)C 2230a_100138425928_100000709892 [2,0,0,0,0,0|2,0,0]=4 4370 B8R0.28 CC(C)NCOC(C)C 34a_100138425928_100000709892 [2,0,0,0,0,0|2,0,0]=4 4371 B8R0.28 CC(C)OCCN(C)C 2230a_100102631434_100000211751 [2,0,0,0,0,0|2,0,0]=4 4372 B8R0.28 CC(C)OCCN(C)C 269982a_100102631434_100000211751 [2,0,0,0,0,0|2,0,0]=4 4373 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [2,0,0,0,0,0|2,0,0]=4 4374 B8R0.28 CC(C)OCOC(C)C 34a_100000212225_100000709892 [2,0,0,0,0,0|2,0,0]=4 4375 B8R0.28 CC(C)OCSC(C)C 62a_100000210206_100000709892 [2,0,0,0,0,0|2,0,0]=4 4376 B8R0.28 CC(C)OCSC(C)C 62a_100000709892_100000210206 [2,0,0,0,0,0|2,0,0]=4 4377 B8R0.28 CC(C)SCCN(C)C 2230a_100102631434_100000730970 [2,0,0,0,0,0|2,0,0]=4 4378 B8R0.28 CC(C)SCCN(C)C 269982a_100102631434_100000730970 [2,0,0,0,0,0|2,0,0]=4 4379 B8R0.28 CC(C)SCCN(C)C 62a_100000210206_100000755713 [2,0,0,0,0,0|2,0,0]=4 4380 B8R0.28 CC(F)COC[C@@H](C)O 34a_100015925927_100009817552 [2,0,0,0,0,0|2,0,0]=4 4381 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [2,0,0,0,0,0|1,0,0]=3 4382 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [2,0,0,0,0,0|1,0,0]=3 4383 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [2,0,0,0,0,0|1,0,0]=3 4384 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [2,0,0,0,0,0|1,0,0]=3 4385 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [2,0,0,0,0,0|1,0,0]=3 4386 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [2,0,0,0,0,0|1,0,0]=3 4387 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [2,0,0,0,0,0|1,0,0]=3 4388 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [2,0,0,0,0,0|1,0,0]=3 4389 B8R0.28 CC(O)CNCC(C)O 2230a_100000210904_100011218427 [2,0,0,0,0,0|2,0,0]=4 4390 B8R0.28 CC(O)CNCC(C)O 34a_100000210904_100011218427 [2,0,0,0,0,0|2,0,0]=4 4391 B8R0.28 CC(O)CNC[C@@H](C)O 2230a_100000210904_100009817552 [2,0,0,0,0,0|2,0,0]=4 4392 B8R0.28 CC(O)CNC[C@@H](C)O 34a_100000210904_100009817552 [2,0,0,0,0,0|2,0,0]=4 4393 B8R0.28 CC(O)COCC(C)Br 34a_100012180447_100011218427 [2,0,0,0,0,0|2,0,0]=4 4394 B8R0.28 CC(O)COCC(C)F 34a_100015925927_100011218427 [2,0,0,0,0,0|2,0,0]=4 4395 B8R0.28 CC(O)COC[C@@H](C)Cl 34a_100016084084_100011218427 [2,0,0,0,0,0|2,0,0]=4 4396 B8R0.28 CC(O)COC[C@@H](C)N 34a_100000737577_100011218427 [2,0,0,0,0,0|2,0,0]=4 4397 B8R0.28 CC(O)CSCC(C)O 62a_100011218427_100011218427 [2,0,0,0,0,0|2,0,0]=4 4398 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100009817552_100011218427 [2,0,0,0,0,0|2,0,0]=4 4399 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100011218427_100009817552 [2,0,0,0,0,0|2,0,0]=4 4400 B8R0.28 CN(C)CCCN(C)C 269982a_100000225831_200000210301 [2,0,0,0,0,0|2,0,0]=4 4401 B8R0.28 CN(C)CCCN(C)C 269982a_100102631434_100000757444 [2,0,0,0,0,0|2,0,0]=4 4402 B8R0.28 CN(C)CCCN(C)[13CH3] 269982a_100000225831_200025704644 [2,0,0,0,0,0|2,0,0]=4 4403 B8R0.28 C[C@@H](N)COC[C@@H](C)O 34a_100000737577_100009817552 [2,0,0,0,0,0|2,0,0]=4 4404 B8R0.28 C[C@@H](O)COC[C@@H](C)Cl 34a_100016084084_100009817552 [2,0,0,0,0,0|2,0,0]=4 4405 B8R0.28 C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100009817552 [2,0,0,0,0,0|2,0,0]=4 4406 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [2,0,0,0,0,0|2,0,0]=4 4407 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [2,0,0,0,0,0|2,0,0]=4 4408 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [2,0,0,0,0,0|2,0,0]=4 4409 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [2,0,0,0,0,0|2,0,0]=4 4410 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [2,0,0,0,0,0|2,0,0]=4 4411 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [2,0,0,0,0,0|2,0,0]=4 4412 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [2,0,0,0,0,0|2,0,0]=4 4413 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [2,0,0,0,0,0|2,0,0]=4 4414 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [2,0,0,0,0,0|2,0,0]=4 4415 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [2,0,0,0,0,0|2,0,0]=4 4416 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [2,0,0,0,0,0|2,0,0]=4 4417 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [2,0,0,0,0,0|2,0,0]=4 4418 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [2,0,0,0,0,0|2,0,0]=4 4419 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [2,0,0,0,0,0|2,0,0]=4 4420 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [2,0,0,0,0,0|2,0,0]=4 4421 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [2,0,0,0,0,0|2,0,0]=4 4422 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [2,0,0,0,0,0|2,0,0]=4 4423 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [2,0,0,0,0,0|2,0,0]=4 4424 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [2,0,0,0,0,0|2,0,0]=4 4425 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [2,0,0,0,0,0|2,0,0]=4 4426 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [2,0,0,0,0,0|2,0,0]=4 4427 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [2,0,0,0,0,0|2,0,0]=4 4428 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [2,0,0,0,0,0|2,0,0]=4 4429 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [2,0,0,0,0,0|2,0,0]=4 4430 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [2,0,0,0,0,0|2,0,0]=4 4431 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [2,0,0,0,0,0|2,0,0]=4 4432 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [2,0,0,0,0,0|2,0,0]=4 4433 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [2,0,0,0,0,0|2,0,0]=4 4434 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [2,0,0,0,0,0|1,0,0]=3 4435 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [2,0,0,0,0,0|1,0,0]=3 4436 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [2,0,0,0,0,0|1,0,0]=3 4437 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [2,0,0,0,0,0|2,0,0]=4 4438 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [2,0,0,0,0,0|2,0,0]=4 4439 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [2,0,0,0,0,0|2,0,0]=4 4440 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [2,0,0,0,0,0|2,0,0]=4 4441 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [2,0,0,0,0,0|2,0,0]=4 4442 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [2,0,0,0,0,0|2,0,0]=4 4443 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [2,0,0,0,0,0|2,0,0]=4 4444 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [2,0,0,0,0,0|1,0,0]=3 4445 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [2,0,0,0,0,0|1,0,0]=3 4446 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [2,0,0,0,0,0|2,0,0]=4 4447 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [2,0,0,0,0,0|2,0,0]=4 4448 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [2,0,0,0,0,0|2,0,0]=4 4449 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [2,0,0,0,0,0|2,0,0]=4 4450 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [2,0,0,0,0,0|1,0,0]=3 4451 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [2,0,0,0,0,0|1,0,0]=3 4452 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [2,0,0,0,0,0|2,0,0]=4 4453 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [2,0,0,0,0,0|2,0,0]=4 4454 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [2,0,0,0,0,0|2,0,0]=4 4455 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [2,0,0,0,0,0|2,0,0]=4 4456 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [2,0,0,0,0,0|2,0,0]=4 4457 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [2,0,0,0,0,0|2,0,0]=4 4458 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [2,0,0,0,0,0|1,0,0]=3 4459 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [2,0,0,0,0,0|1,0,0]=3 4460 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [2,0,0,0,0,0|2,0,0]=4 4461 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [2,0,0,0,0,0|2,0,0]=4 4462 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [2,0,0,0,0,0|2,0,0]=4 4463 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [2,0,0,0,0,0|2,0,0]=4 4464 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [2,0,0,0,0,0|2,0,0]=4 4465 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [2,0,0,0,0,0|2,0,0]=4 4466 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [2,0,0,0,0,0|2,0,0]=4 4467 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [2,0,0,0,0,0|2,0,0]=4 4468 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [2,0,0,0,0,0|1,0,0]=3 4469 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [2,0,0,0,0,0|1,0,0]=3 4470 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [2,0,0,0,0,0|2,0,0]=4 4471 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [2,0,0,0,0,0|2,0,0]=4 4472 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [2,0,0,0,0,0|2,0,0]=4 4473 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [2,0,0,0,0,0|1,0,0]=3 4474 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [2,0,0,0,0,0|1,0,0]=3 4475 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [2,0,0,0,0,0|1,0,0]=3 4476 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [2,0,0,0,0,0|1,0,0]=3 4477 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [2,0,0,0,0,0|2,0,0]=4 4478 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [2,0,0,0,0,0|2,0,0]=4 4479 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [2,0,0,0,0,0|2,0,0]=4 4480 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [2,0,0,0,0,0|2,0,0]=4 4481 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [2,0,0,0,0,0|2,0,0]=4 4482 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [2,0,0,0,0,0|2,0,0]=4 4483 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [2,0,0,0,0,0|2,0,0]=4 4484 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [2,0,0,0,0,0|2,0,0]=4 4485 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [2,0,0,0,0,0|1,0,0]=3 4486 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [2,0,0,0,0,0|2,0,0]=4 4487 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [2,0,0,0,0,0|2,0,0]=4 4488 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [2,0,0,0,0,0|1,0,0]=3 4489 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [2,0,0,0,0,0|1,0,0]=3 4490 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [2,0,0,0,0,0|2,0,0]=4 4491 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [2,0,0,0,0,0|1,0,0]=3 4492 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [2,0,0,0,0,0|1,0,0]=3 4493 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [2,0,0,0,0,0|1,0,0]=3 4494 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [2,0,0,0,0,0|2,0,0]=4 4495 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [2,0,0,0,0,0|2,0,0]=4 4496 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [2,0,0,0,0,0|2,0,0]=4 4497 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [2,0,0,0,0,0|2,0,0]=4 4498 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [2,0,0,0,0,0|2,0,0]=4 4499 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [2,0,0,0,0,0|2,0,0]=4 4500 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [2,0,0,0,0,0|2,0,0]=4 4501 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [2,0,0,0,0,0|2,0,0]=4 4502 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [2,0,0,0,0,0|2,0,0]=4 4503 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [2,0,0,0,0,0|2,0,0]=4 4504 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [2,0,0,0,0,0|2,0,0]=4 4505 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [2,0,0,0,0,0|2,0,0]=4 4506 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [2,0,0,0,0,0|1,0,0]=3 4507 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [2,0,0,0,0,0|2,0,0]=4 4508 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [2,0,0,0,0,0|2,0,0]=4 4509 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [2,0,0,0,0,0|2,0,0]=4 4510 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [2,0,0,0,0,0|2,0,0]=4 4511 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [2,0,0,0,0,0|2,0,0]=4 4512 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [2,0,0,0,0,0|2,0,0]=4 4513 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [2,0,0,0,0,0|2,0,0]=4 4514 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [2,0,0,0,0,0|2,0,0]=4 4515 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [2,0,0,0,0,0|2,0,0]=4 4516 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [2,0,0,0,0,0|2,0,0]=4 4517 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [2,0,0,0,0,0|2,0,0]=4 4518 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [2,0,0,0,0,0|2,0,0]=4 4519 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [2,0,0,0,0,0|2,0,0]=4 4520 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [2,0,0,0,0,0|1,0,0]=3 4521 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [2,0,0,0,0,0|1,0,0]=3 4522 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [2,0,0,0,0,0|2,0,0]=4 4523 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [2,0,0,0,0,0|2,0,0]=4 4524 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [2,0,0,0,0,0|2,0,0]=4 4525 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [2,0,0,0,0,0|2,0,0]=4 4526 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [2,0,0,0,0,0|2,0,0]=4 4527 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [2,0,0,0,0,0|2,0,0]=4 4528 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [2,0,0,0,0,0|2,0,0]=4 4529 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [2,0,0,0,0,0|2,0,0]=4 4530 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [2,0,0,0,0,0|2,0,0]=4 4531 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 4532 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [2,0,0,0,0,0|2,0,0]=4 4533 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 4534 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [2,0,0,0,0,0|1,0,0]=3 4535 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [2,0,0,0,0,0|1,0,0]=3 4536 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [2,0,0,0,0,0|1,0,0]=3 4537 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [2,0,0,0,0,0|1,0,0]=3 4538 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [2,0,0,0,0,0|1,0,0]=3 4539 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [2,0,0,0,0,0|2,0,0]=4 4540 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [2,0,0,0,0,0|2,0,0]=4 4541 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [2,0,0,0,0,0|2,0,0]=4 4542 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [2,0,0,0,0,0|2,0,0]=4 4543 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [2,0,0,0,0,0|2,0,0]=4 4544 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [2,0,0,0,0,0|2,0,0]=4 4545 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [2,0,0,0,0,0|2,0,0]=4 4546 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [2,0,0,0,0,0|2,0,0]=4 4547 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [2,0,0,0,0,0|2,0,0]=4 4548 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [2,0,0,0,0,0|1,0,0]=3 4549 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [2,0,0,0,0,0|2,0,0]=4 4550 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [2,0,0,0,0,0|2,0,0]=4 4551 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [2,0,0,0,0,0|2,0,0]=4 4552 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [2,0,0,0,0,0|2,0,0]=4 4553 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [2,0,0,0,0,0|2,0,0]=4 4554 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [2,0,0,0,0,0|2,0,0]=4 4555 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [2,0,0,0,0,0|2,0,0]=4 4556 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [2,0,0,0,0,0|2,0,0]=4 4557 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [2,0,0,0,0,0|2,0,0]=4 4558 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [2,0,0,0,0,0|2,0,0]=4 4559 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [2,0,0,0,0,0|2,0,0]=4 4560 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [2,0,0,0,0,0|2,0,0]=4 4561 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [2,0,0,0,0,0|2,0,0]=4 4562 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [2,0,0,0,0,0|2,0,0]=4 4563 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [2,0,0,0,0,0|2,0,0]=4 4564 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [2,0,0,0,0,0|1,0,0]=3 4565 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [2,0,0,0,0,0|1,0,0]=3 4566 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [2,0,0,0,0,0|2,0,0]=4 4567 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [2,0,0,0,0,0|2,0,0]=4 4568 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [2,0,0,0,0,0|2,0,0]=4 4569 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [2,0,0,0,0,0|2,0,0]=4 4570 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [2,0,0,0,0,0|2,0,0]=4 4571 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [2,0,0,0,0,0|2,0,0]=4 4572 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [2,0,0,0,0,0|2,0,0]=4 4573 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [2,0,0,0,0,0|2,0,0]=4 4574 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [2,0,0,0,0,0|2,0,0]=4 4575 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [2,0,0,0,0,0|2,0,0]=4 4576 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [2,0,0,0,0,0|2,0,0]=4 4577 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [2,0,0,0,0,0|2,0,0]=4 4578 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [2,0,0,0,0,0|2,0,0]=4 4579 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [2,0,0,0,0,0|2,0,0]=4 4580 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [2,0,0,0,0,0|2,0,0]=4 4581 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [2,0,0,0,0,0|2,0,0]=4 4582 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [2,0,0,0,0,0|2,0,0]=4 4583 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [2,0,0,0,0,0|2,0,0]=4 4584 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [2,0,0,0,0,0|2,0,0]=4 4585 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [2,0,0,0,0,0|2,0,0]=4 4586 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [2,0,0,0,0,0|2,0,0]=4 4587 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [2,0,0,0,0,0|2,0,0]=4 4588 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [2,0,0,0,0,0|2,0,0]=4 4589 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [2,0,0,0,0,0|2,0,0]=4 4590 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [2,0,0,0,0,0|2,0,0]=4 4591 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [2,0,0,0,0,0|2,0,0]=4 4592 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [2,0,0,0,0,0|2,0,0]=4 4593 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [2,0,0,0,0,0|2,0,0]=4 4594 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [2,0,0,0,0,0|2,0,0]=4 4595 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [2,0,0,0,0,0|2,0,0]=4 4596 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [2,0,0,0,0,0|2,0,0]=4 4597 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [2,0,0,0,0,0|2,0,0]=4 4598 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [2,0,0,0,0,0|2,0,0]=4 4599 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [2,0,0,0,0,0|2,0,0]=4 4600 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [2,0,0,0,0,0|2,0,0]=4 4601 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [2,0,0,0,0,0|2,0,0]=4 4602 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [2,0,0,0,0,0|2,0,0]=4 4603 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [2,0,0,0,0,0|2,0,0]=4 4604 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [2,0,0,0,0,0|2,0,0]=4 4605 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [2,0,0,0,0,0|2,0,0]=4 4606 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [2,0,0,0,0,0|2,0,0]=4 4607 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [2,0,0,0,0,0|2,0,0]=4 4608 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [2,0,0,0,0,0|2,0,0]=4 4609 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [2,0,0,0,0,0|2,0,0]=4 4610 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [2,0,0,0,0,0|2,0,0]=4 4611 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [2,0,0,0,0,0|2,0,0]=4 4612 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [2,0,0,0,0,0|2,0,0]=4 4613 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [2,0,0,0,0,0|2,0,0]=4 4614 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [2,0,0,0,0,0|1,0,0]=3 4615 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [2,0,0,0,0,0|1,0,0]=3 4616 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [2,0,0,0,0,0|2,0,0]=4 4617 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [2,0,0,0,0,0|2,0,0]=4 4618 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [2,0,0,0,0,0|2,0,0]=4 4619 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [2,0,0,0,0,0|2,0,0]=4 4620 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [2,0,0,0,0,0|2,0,0]=4 4621 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [2,0,0,0,0,0|2,0,0]=4 4622 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [2,0,0,0,0,0|2,0,0]=4 4623 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [2,0,0,0,0,0|2,0,0]=4 4624 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [2,0,0,0,0,0|2,0,0]=4 4625 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [2,0,0,0,0,0|1,0,0]=3 4626 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [2,0,0,0,0,0|1,0,0]=3 4627 B8R0.1 CC(CCO)NCCF 34a_100000724931_100009893172 [2,0,0,0,0,0|2,0,0]=4 4628 B8R0.1 CC(CCO)NCCO 2230a_100016997473_100009893172 [2,0,0,0,0,0|2,0,0]=4 4629 B8R0.1 CC(CCO)NCCO 34a_100016990907_100009893172 [2,0,0,0,0,0|2,0,0]=4 4630 B8R0.1 CC(CCO)OCCBr 34a_100000211926_100009893172 [2,0,0,0,0,0|2,0,0]=4 4631 B8R0.1 CC(CCO)OCCN 34a_100000210304_100009893172 [2,0,0,0,0,0|2,0,0]=4 4632 B8R0.1 CC(CCO)SCCF 62a_100009893172_100011217306 [2,0,0,0,0,0|2,0,0]=4 4633 B8R0.1 CC(CCO)SCCF 62a_100011217306_100009893172 [2,0,0,0,0,0|2,0,0]=4 4634 B8R0.1 CC(CCO)SCCO 62a_100000211926_100009893172 [2,0,0,0,0,0|2,0,0]=4 4635 B8R0.1 CC(CCO)SCCO 62a_100009893172_100000211926 [2,0,0,0,0,0|2,0,0]=4 4636 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [2,0,0,0,0,0|2,0,0]=4 4637 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [2,0,0,0,0,0|2,0,0]=4 4638 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [2,0,0,0,0,0|2,0,0]=4 4639 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [2,0,0,0,0,0|2,0,0]=4 4640 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [2,0,0,0,0,0|2,0,0]=4 4641 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [2,0,0,0,0,0|2,0,0]=4 4642 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [2,0,0,0,0,0|2,0,0]=4 4643 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [2,0,0,0,0,0|2,0,0]=4 4644 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [2,0,0,0,0,0|2,0,0]=4 4645 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [2,0,0,0,0,0|2,0,0]=4 4646 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [2,0,0,0,0,0|2,0,0]=4 4647 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [2,0,0,0,0,0|1,0,1]=4 4648 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [2,0,0,0,0,0|1,0,1]=4 4649 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [2,0,0,0,0,0|2,0,0]=4 4650 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [2,0,0,0,0,0|2,0,0]=4 4651 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [2,0,0,0,0,0|2,0,0]=4 4652 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [2,0,0,0,0,0|2,0,0]=4 4653 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [2,0,0,0,0,0|2,0,0]=4 4654 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [2,0,0,0,0,0|2,0,0]=4 4655 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [2,0,0,0,0,0|2,0,0]=4 4656 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [2,0,0,0,0,0|2,0,0]=4 4657 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [2,0,0,0,0,0|2,0,0]=4 4658 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [2,0,0,0,0,0|2,0,0]=4 4659 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [2,0,0,0,0,0|2,0,0]=4 4660 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [2,0,0,0,0,0|2,0,0]=4 4661 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [2,0,0,0,0,0|2,0,0]=4 4662 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [2,0,0,0,0,0|2,0,0]=4 4663 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [2,0,0,0,0,0|2,0,0]=4 4664 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [2,0,0,0,0,0|2,0,0]=4 4665 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [2,0,0,0,0,0|2,0,0]=4 4666 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [2,0,0,0,0,0|2,0,0]=4 4667 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [2,0,0,0,0,0|2,0,0]=4 4668 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [2,0,0,0,0,0|2,0,0]=4 4669 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [2,0,0,0,0,0|2,0,0]=4 4670 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [2,0,0,0,0,0|2,0,0]=4 4671 B8R0.1 CCCCN(C)CCF 2230a_100000207549_100011217306 [2,0,0,0,0,0|2,0,0]=4 4672 B8R0.1 CCCCN(C)CCF 269982a_100000207549_100011217306 [2,0,0,0,0,0|2,0,0]=4 4673 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [2,0,0,0,0,0|1,0,0]=3 4674 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [2,0,0,0,0,0|1,0,0]=3 4675 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [2,0,0,0,0,0|1,0,0]=3 4676 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [2,0,0,0,0,0|1,0,0]=3 4677 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [2,0,0,0,0,0|1,0,0]=3 4678 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [2,0,0,0,0,0|1,0,0]=3 4679 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [2,0,0,0,0,0|2,0,0]=4 4680 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [2,0,0,0,0,0|2,0,0]=4 4681 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [2,0,0,0,0,0|1,0,0]=3 4682 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [2,0,0,0,0,0|1,0,0]=3 4683 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [2,0,0,0,0,0|2,0,0]=4 4684 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [2,0,0,0,0,0|2,0,0]=4 4685 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [2,0,0,0,0,0|1,0,0]=3 4686 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [2,0,0,0,0,0|1,0,0]=3 4687 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [2,0,0,0,0,0|2,0,0]=4 4688 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [2,0,0,0,0,0|2,0,0]=4 4689 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [2,0,0,0,0,0|2,0,0]=4 4690 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [2,0,0,0,0,0|2,0,0]=4 4691 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [2,0,0,0,0,0|1,0,0]=3 4692 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [2,0,0,0,0,0|2,0,0]=4 4693 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [2,0,0,0,0,0|2,0,0]=4 4694 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [2,0,0,0,0,0|1,0,0]=3 4695 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [2,0,0,0,0,0|1,0,0]=3 4696 B8R0.1 CCOCC(C)CCN 34a_106354213184_100000210202 [2,0,0,0,0,0|2,0,0]=4 4697 B8R0.1 CCOCN(C)CCO 269982a_100000210263_100000739092 [2,0,0,0,0,0|2,0,0]=4 4698 B8R0.1 CN(CCO)CCCF 2230a_100000210263_100011934791 [2,0,0,0,0,0|2,0,0]=4 4699 B8R0.1 CN(CCO)CCCF 269982a_100000210263_100011934791 [2,0,0,0,0,0|2,0,0]=4 4700 B8R0.1 CN(CCO)CCCO 2230a_100000210263_100000230001 [2,0,0,0,0,0|2,0,0]=4 4701 B8R0.1 CN(CCO)CCCO 2230a_100000213112_100000211926 [2,0,0,0,0,0|2,0,0]=4 4702 B8R0.1 CN(CCO)CCCO 2230a_200000212863_200000210301 [2,0,0,0,0,0|2,0,0]=4 4703 B8R0.1 CN(CCO)CCCO 269982a_100000210263_100011215043 [2,0,0,0,0,0|2,0,0]=4 4704 B8R0.1 CN(CCO)CCCO 269982a_100000213112_100000211926 [2,0,0,0,0,0|2,0,0]=4 4705 B8R0.1 CN(CCO)CCCO 269982a_200000212863_200000210301 [2,0,0,0,0,0|2,0,0]=4 4706 B8R0.1 COCCN(C)CCO 2230a_100000210263_100011201679 [2,0,0,0,0,0|2,0,0]=4 4707 B8R0.1 COCCN(C)CCO 2230a_100000743101_100000211926 [2,0,0,0,0,0|2,0,0]=4 4708 B8R0.1 COCCN(C)CCO 269982a_100000210263_100000233755 [2,0,0,0,0,0|2,0,0]=4 4709 B8R0.1 COCCN(C)CCO 269982a_100000743101_100000211926 [2,0,0,0,0,0|2,0,0]=4 4710 B8R0.1 COCN[C@H](C)CCO 2230a_100000706166_100000766300 [2,0,0,0,0,0|2,0,0]=4 4711 B8R0.1 COCSC(C)CCO 62a_100000766300_100009893172 [2,0,0,0,0,0|2,0,0]=4 4712 B8R0.1 COCSC(C)CCO 62a_100009893172_100000766300 [2,0,0,0,0,0|2,0,0]=4 4713 B8R0.1 CSCCN(C)CCO 2230a_100000210263_100000751147 [2,0,0,0,0,0|2,0,0]=4 4714 B8R0.1 CSCCN(C)CCO 2230a_100000686725_100000211926 [2,0,0,0,0,0|2,0,0]=4 4715 B8R0.1 CSCCN(C)CCO 269982a_100000210263_100000212216 [2,0,0,0,0,0|2,0,0]=4 4716 B8R0.1 CSCCN(C)CCO 269982a_100000686725_100000211926 [2,0,0,0,0,0|2,0,0]=4 4717 B8R0.1 CSCN[C@H](C)CCO 2230a_100000706166_100011218213 [2,0,0,0,0,0|2,0,0]=4 4718 B8R0.1 CSCN[C@H](C)CCO 34a_100000706166_100011218213 [2,0,0,0,0,0|2,0,0]=4 4719 B8R0.1 CSCSC(C)CCO 62a_100009893172_100011218213 [2,0,0,0,0,0|2,0,0]=4 4720 B8R0.1 CSCSC(C)CCO 62a_100011218213_100009893172 [2,0,0,0,0,0|2,0,0]=4 4721 B8R0.1 C[C@H](CCO)NCCF 2230a_100000706166_100011217306 [2,0,0,0,0,0|2,0,0]=4 4722 B8R0.1 C[C@H](CCO)NCCF 34a_100000706166_100011217306 [2,0,0,0,0,0|2,0,0]=4 4723 B8R0.1 C[C@H](CCO)NCCO 2230a_100000706166_100000211926 [2,0,0,0,0,0|2,0,0]=4 4724 B8R0.1 C[C@H](CCO)NCCO 34a_100000706166_100000211926 [2,0,0,0,0,0|2,0,0]=4 4725 B8R0.1 [13CH3]N(CCO)CCCO 2230a_200000212863_200025704644 [2,0,0,0,0,0|2,0,0]=4 4726 B8R0.1 [13CH3]N(CCO)CCCO 269982a_200000212863_200025704644 [2,0,0,0,0,0|2,0,0]=4 4727 B10R0.44 CC(C)CC(=O)C[C@@H](C)CO 1458a_100000210554_100000059175 [1,1,0,0,0,0|0,0,1]=3 4728 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 240690a_100000737577_100000210554 [1,1,0,0,0,0|1,0,1]=4 4729 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 527a_100000737577_100000210554 [1,1,0,0,0,0|1,0,1]=4 4730 B10R0.44 CC(C)CC(C)NC(C)CO 2230a_100000692259_100012180447 [1,1,0,0,0,0|1,0,0]=3 4731 B10R0.44 CC(C)CC(C)N[C@H](C)CO 2230a_100000737577_100000731052 [1,1,0,0,0,0|1,0,0]=3 4732 B10R0.44 CC(C)CC(C)OC(C)CF 34a_100016041109_100000731052 [1,1,0,0,0,0|2,0,0]=4 4733 B10R0.44 CC(C)CC(C)OC(C)CF 7a_100016041109_100000731052 [1,1,0,0,0,0|2,0,0]=4 4734 B10R0.44 CC(C)CC(C)OC(C)CN 34a_100000210904_100000731052 [1,1,0,0,0,0|2,0,0]=4 4735 B10R0.44 CC(C)CC(C)OC(C)CO 34a_100000211805_100012180447 [1,1,0,0,0,0|1,0,0]=3 4736 B10R0.44 CC(C)CC(C)OC(C)CO 7a_100000211805_100012180447 [1,1,0,0,0,0|1,0,0]=3 4737 B10R0.44 CC(C)CC(C)SC(C)CO 62a_100012180447_100000731052 [1,1,0,0,0,0|1,0,0]=3 4738 B10R0.44 CC(C)CC(C)S[C@H](C)CO 62a_100000731052_100016084084 [1,1,0,0,0,0|1,0,0]=3 4739 B10R0.44 CC(C)CC(C)S[C@H](C)CO 62a_100016084084_100000731052 [1,1,0,0,0,0|1,0,0]=3 4740 B10R0.44 CC(C)CN(C)CC(O)CO 2230a_100000747067_100011219619 [1,1,0,0,0,0|2,0,0]=4 4741 B10R0.44 CC(C)CN(C)CC(O)CO 2230a_100011216503_100000210760 [1,1,0,0,0,0|2,0,0]=4 4742 B10R0.44 CC(C)CN(C)CC(O)CO 269982a_100011216503_100000210624 [1,1,0,0,0,0|2,0,0]=4 4743 B10R0.44 CC(C)CN(C)CC(O)CO 270004a_100011216503_100000210432 [1,1,0,0,0,0|2,0,0]=4 4744 B10R0.44 CC(C)CN(C)C[C@@H](C)CO 2230a_100000747067_100000059175 [1,1,0,0,0,0|1,0,0]=3 4745 B10R0.44 CC(C)CN(C)C[C@@H](C)CO 269982a_100000747067_100000059175 [1,1,0,0,0,0|1,0,0]=3 4746 B10R0.44 CC(C)CN(C)C[C@@H](O)CO 2230a_100000747067_100009815848 [1,1,0,0,0,0|2,0,0]=4 4747 B10R0.44 CC(CN(C)C)S[C@H](C)CO 62a_100016084084_100020606517 [1,1,0,0,0,0|2,0,0]=4 4748 B10R0.44 CC(CN(C)C)S[C@H](C)CO 62a_100020606517_100016084084 [1,1,0,0,0,0|2,0,0]=4 4749 B10R0.44 CC(CO)SC(C)CN(C)C 62a_100012180447_100020606517 [1,1,0,0,0,0|2,0,0]=4 4750 B10R0.44 CC(O)CN(C)C[C@@H](C)CO 2230a_100000227577_100000059175 [1,1,0,0,0,0|2,0,0]=4 4751 B10R0.44 CC(O)CN(C)C[C@@H](C)CO 269982a_100000227577_100000059175 [1,1,0,0,0,0|2,0,0]=4 4752 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000210554_100000748023 [1,1,0,0,0,0|0,0,1]=3 4753 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000708755_100000210624 [1,1,0,0,0,0|0,0,1]=3 4754 B10R0.44 CCC(C)CC(=O)CC(C)O 1458a_100000708755_100011218427 [1,1,0,0,0,0|1,0,1]=4 4755 B10R0.44 CCC(C)CC(=O)CN(C)C 1458a_100000750896_100000748023 [1,1,0,0,0,0|1,0,1]=4 4756 B10R0.44 CCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748023 [1,1,0,0,0,0|1,0,1]=4 4757 B10R0.44 CCC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000748023 [1,1,0,0,0,0|1,0,1]=4 4758 B10R0.44 CCC(C)CC(=O)NC(C)C 11a_100138425928_100000708755 [1,1,0,0,0,0|1,0,1]=4 4759 B10R0.44 CCC(C)CC(=O)NC(C)C 1626a_100138425928_100000708755 [1,1,0,0,0,0|1,0,1]=4 4760 B10R0.44 CCC(C)CC(=O)NC(C)C 240690a_100138425928_100000708755 [1,1,0,0,0,0|1,0,1]=4 4761 B10R0.44 CCC(C)CC(=O)NC(C)C 527a_100138425928_100000708755 [1,1,0,0,0,0|1,0,1]=4 4762 B10R0.44 CCC(C)CC(C)NC(C)C 2230a_100000763565_100000210206 [1,1,0,0,0,0|1,0,0]=3 4763 B10R0.44 CCC(C)CN(C)CC(C)C 2230a_100000747067_100000748023 [1,1,0,0,0,0|1,0,0]=3 4764 B10R0.44 CCC(C)CN(C)CC(C)C 2230a_100000753921_100000210760 [1,1,0,0,0,0|1,0,0]=3 4765 B10R0.44 CCC(C)CN(C)CC(C)C 269982a_100000747067_100000748023 [1,1,0,0,0,0|1,0,0]=3 4766 B10R0.44 CCC(C)CN(C)CC(C)C 269982a_100000753921_100000210624 [1,1,0,0,0,0|1,0,0]=3 4767 B10R0.44 CCC(C)CN(C)CC(C)C 270004a_100000747067_100000243153 [1,1,0,0,0,0|1,0,0]=3 4768 B10R0.44 CCC(C)CN(C)CC(C)C 270004a_100000753921_100000210432 [1,1,0,0,0,0|1,0,0]=3 4769 B10R0.44 CCC(C)CN(C)CC(C)O 2230a_100000227577_100000748023 [1,1,0,0,0,0|2,0,0]=4 4770 B10R0.44 CCC(C)CN(C)CC(C)O 2230a_100000753921_100011218427 [1,1,0,0,0,0|2,0,0]=4 4771 B10R0.44 CCC(C)CN(C)CC(C)O 269982a_100000227577_100000748023 [1,1,0,0,0,0|2,0,0]=4 4772 B10R0.44 CCC(C)CN(C)CC(C)O 269982a_100000753921_100011218427 [1,1,0,0,0,0|2,0,0]=4 4773 B10R0.44 CCC(C)CN(C)CC(C)O 270004a_100000227577_100000243153 [1,1,0,0,0,0|2,0,0]=4 4774 B10R0.44 CCC(C)CN(C)C[C@@H](C)O 2230a_100000753921_100009817552 [1,1,0,0,0,0|2,0,0]=4 4775 B10R0.44 CCC(C)CN(C)C[C@@H](C)O 269982a_100000753921_100009817552 [1,1,0,0,0,0|2,0,0]=4 4776 B10R0.44 CCC(C)NC(=O)CC(C)C 11a_100000209981_100000210554 [1,1,0,0,0,0|1,0,1]=4 4777 B10R0.44 CCC(C)NC(=O)CC(C)C 1626a_100000209981_100000210554 [1,1,0,0,0,0|1,0,1]=4 4778 B10R0.44 CCC(C)NC(=O)CC(C)C 240690a_100000209981_100000210554 [1,1,0,0,0,0|1,0,1]=4 4779 B10R0.44 CCC(C)NC(=O)CC(C)C 527a_100000209981_100000210554 [1,1,0,0,0,0|1,0,1]=4 4780 B10R0.44 CCC(C)NC(C)CC(C)C 2230a_100000209981_100000731052 [1,1,0,0,0,0|1,0,0]=3 4781 B10R0.44 CCC(C)NC(C)CC(C)C 2230a_100000692259_100000758301 [1,1,0,0,0,0|1,0,0]=3 4782 B10R0.44 CCC(C)OC(C)CC(C)C 34a_100000211805_100011215416 [1,1,0,0,0,0|1,0,0]=3 4783 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000210228_100000731052 [1,1,0,0,0,0|1,0,0]=3 4784 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000211805_100000758301 [1,1,0,0,0,0|1,0,0]=3 4785 B10R0.44 CCC(C)SC(C)CC(C)C 62a_100000731052_100000758301 [1,1,0,0,0,0|1,0,0]=3 4786 B10R0.44 CCC(C)SC(C)CC(C)C 62a_100000758301_100000731052 [1,1,0,0,0,0|1,0,0]=3 4787 B10R0.44 CCC(C)SC(C)CN(C)C 62a_100000758301_100020606517 [1,1,0,0,0,0|2,0,0]=4 4788 B10R0.44 CCC(C)SC(C)CN(C)C 62a_100020606517_100000758301 [1,1,0,0,0,0|2,0,0]=4 4789 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100000210554_100011218378 [1,1,0,0,0,0|1,0,1]=4 4790 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100011667805_100000210624 [1,1,0,0,0,0|1,0,1]=4 4791 B10R0.44 CCC(O)CN(C)CC(C)C 2230a_100000747067_100011218378 [1,1,0,0,0,0|2,0,0]=4 4792 B10R0.44 CCC(O)CN(C)CC(C)C 269982a_100000747067_100011218378 [1,1,0,0,0,0|2,0,0]=4 4793 B10R0.44 CCN(C)CC(=O)CC(C)C 1458a_100116209913_100000210624 [1,1,0,0,0,0|1,0,1]=4 4794 B10R0.44 CCN(C)CC(C)CN(C)C 2230a_100000225621_100015348159 [1,1,0,0,0,0|2,0,0]=4 4795 B10R0.44 CCN(C)CC(C)CN(C)C 269982a_100000225621_100015348159 [1,1,0,0,0,0|2,0,0]=4 4796 B10R0.44 CC[C@H](C)CC(=O)CC(C)C 1458a_100000210554_100009816398 [1,1,0,0,0,0|0,0,1]=3 4797 B10R0.44 CC[C@H](C)CC(=O)CN(C)C 1458a_100000750896_100009816398 [1,1,0,0,0,0|1,0,1]=4 4798 B10R0.44 CC[C@H](C)CC(=O)C[C@@H](C)O 1458a_100011933948_100009816398 [1,1,0,0,0,0|1,0,1]=4 4799 B10R0.44 CC[C@H](C)CC(=O)C[S+](C)C 1458a_200159257847_100009816398 [1,1,0,0,0,0|1,0,1]=4 4800 B10R0.44 CC[C@H](C)CN(C)CC(C)C 2230a_100000747067_100009816398 [1,1,0,0,0,0|1,0,0]=3 4801 B10R0.44 CC[C@H](C)CN(C)CC(C)C 269982a_100000747067_100009816398 [1,1,0,0,0,0|1,0,0]=3 4802 B10R0.44 CC[C@H](C)CN(C)CC(C)O 2230a_100000227577_100009816398 [1,1,0,0,0,0|2,0,0]=4 4803 B10R0.44 CC[C@H](C)CN(C)CC(C)O 269982a_100000227577_100009816398 [1,1,0,0,0,0|2,0,0]=4 4804 B10R0.44 COC(C)SC(C)CC(C)C 62a_100000731052_100009879195 [1,1,0,0,0,0|2,0,0]=4 4805 B10R0.44 COC(C)SC(C)CC(C)C 62a_100009879195_100000731052 [1,1,0,0,0,0|2,0,0]=4 4806 B10R0.44 C[C@@H](CO)CC(=O)CN(C)C 1458a_100000750896_100000059175 [1,1,0,0,0,0|1,0,1]=4 4807 B10R0.44 C[C@@H](CO)CC(=O)C[C@@H](C)O 1458a_100011933948_100000059175 [1,1,0,0,0,0|1,0,1]=4 4808 B10R0.44 C[C@@H](CO)CC(=O)C[S+](C)C 1458a_200159257847_100000059175 [1,1,0,0,0,0|1,0,1]=4 4809 B10R0.57 CC(C)CCC(=O)C(O)CO 1458a_100011215603_100000210312 [1,1,0,0,0,0|1,0,1]=4 4810 B10R0.57 CC(C)CCC(C)C(=O)CO 1458a_100000210174_100011261404 [1,1,0,0,0,0|1,0,1]=4 4811 B10R0.57 CC(C)CCN(C)C(C)CO 2230a_100000693034_100000210312 [1,1,0,0,0,0|1,0,0]=3 4812 B10R0.57 CC(C)CCN(C)C(C)CO 2230a_100000742789_100012180447 [1,1,0,0,0,0|1,0,0]=3 4813 B10R0.57 CC(C)CCN(C)C(C)CO 269982a_100000693034_100000210312 [1,1,0,0,0,0|1,0,0]=3 4814 B10R0.57 CC(C)CCN(C)[C@H](C)CO 269982a_100000742789_100016084084 [1,1,0,0,0,0|1,0,0]=3 4815 B10R0.57 CC(C)OCN(C)C(C)CO 2230a_100000693034_100000709892 [1,1,0,0,0,0|2,0,0]=4 4816 B10R0.57 CC(C)OCN(C)C(C)CO 269982a_100000693034_100000709892 [1,1,0,0,0,0|2,0,0]=4 4817 B10R0.57 CC(CO)N(C)CCN(C)C 269982a_100000693034_100000755713 [1,1,0,0,0,0|2,0,0]=4 4818 B10R0.57 CC(O)CCN(C)C(C)CO 2230a_100000693034_100012276601 [1,1,0,0,0,0|2,0,0]=4 4819 B10R0.57 CC(O)CCN(C)C(C)CO 269982a_100000693034_100012276601 [1,1,0,0,0,0|2,0,0]=4 4820 B10R0.57 CCC(=O)C(C)CCC(C)C 1458a_100000210414_100011261404 [1,1,0,0,0,0|1,0,1]=4 4821 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100000181311_100000758301 [1,1,0,0,0,0|0,0,1]=3 4822 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100011192722_100000210312 [1,1,0,0,0,0|0,0,1]=3 4823 B10R0.57 CCC(C)C(=O)CCC(C)O 1458a_100011192722_100012276601 [1,1,0,0,0,0|1,0,1]=4 4824 B10R0.57 CCC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000758301 [1,1,0,0,0,0|1,0,1]=4 4825 B10R0.57 CCC(C)C(=O)COC(C)C 1458a_100000745533_100000758301 [1,1,0,0,0,0|1,0,1]=4 4826 B10R0.57 CCC(C)C(=O)CSC(C)C 1458a_100000241585_100000758301 [1,1,0,0,0,0|1,0,1]=4 4827 B10R0.57 CCC(C)C(=O)NCC(C)C 11a_100000210953_100011192722 [1,1,0,0,0,0|1,0,1]=4 4828 B10R0.57 CCC(C)C(=O)NCC(C)C 1626a_100000210953_100011192722 [1,1,0,0,0,0|1,0,1]=4 4829 B10R0.57 CCC(C)C(=O)NCC(C)C 240690a_100000210953_100011192722 [1,1,0,0,0,0|1,0,1]=4 4830 B10R0.57 CCC(C)C(=O)NCC(C)C 527a_100000210953_100011192722 [1,1,0,0,0,0|1,0,1]=4 4831 B10R0.57 CCC(C)C(C)NCC(C)C 269862a_100000210953_100000210599 [1,1,0,0,0,0|1,0,0]=3 4832 B10R0.57 CCC(C)C(C)NCC(C)C 270004a_100000210953_100000210599 [1,1,0,0,0,0|1,0,0]=3 4833 B10R0.57 CCC(C)C(C)NCC(C)O 269862a_100000210904_100000210599 [1,1,0,0,0,0|2,0,0]=4 4834 B10R0.57 CCC(C)C(C)NCC(C)O 270004a_100000210904_100000210599 [1,1,0,0,0,0|2,0,0]=4 4835 B10R0.57 CCC(C)C(C)OCC(C)C 7a_100011215189_100000210760 [1,1,0,0,0,0|1,0,0]=3 4836 B10R0.57 CCC(C)C(C)OCC(C)O 7a_100011215189_100011218427 [1,1,0,0,0,0|2,0,0]=4 4837 B10R0.57 CCC(C)C(C)OC[C@@H](C)O 7a_100011215189_100009817552 [1,1,0,0,0,0|2,0,0]=4 4838 B10R0.57 CCC(C)N(C)CCC(C)C 2230a_100000741768_100000210312 [1,1,0,0,0,0|1,0,0]=3 4839 B10R0.57 CCC(C)N(C)CCC(C)C 2230a_100000742789_100000758301 [1,1,0,0,0,0|1,0,0]=3 4840 B10R0.57 CCC(C)N(C)CCC(C)C 269982a_100000741768_100000210312 [1,1,0,0,0,0|1,0,0]=3 4841 B10R0.57 CCC(C)N(C)CCC(C)C 269982a_100000742789_100000758301 [1,1,0,0,0,0|1,0,0]=3 4842 B10R0.57 CCC(C)N(C)CCC(C)O 2230a_100000741768_100012276601 [1,1,0,0,0,0|2,0,0]=4 4843 B10R0.57 CCC(C)N(C)CCC(C)O 269982a_100000741768_100012276601 [1,1,0,0,0,0|2,0,0]=4 4844 B10R0.57 CCC(C)N(C)CCN(C)C 269982a_100000225618_100000758301 [1,1,0,0,0,0|2,0,0]=4 4845 B10R0.57 CCC(C)N(C)CCN(C)C 269982a_100000741768_100000755713 [1,1,0,0,0,0|2,0,0]=4 4846 B10R0.57 CCC(C)N(C)COC(C)C 2230a_100000741768_100000709892 [1,1,0,0,0,0|2,0,0]=4 4847 B10R0.57 CCC(C)N(C)COC(C)C 269982a_100000741768_100000709892 [1,1,0,0,0,0|2,0,0]=4 4848 B10R0.57 CCC(O)C(=O)CCC(C)C 1458a_100011196387_100000210312 [1,1,0,0,0,0|1,0,1]=4 4849 B10R0.57 CCN(C)C(=O)CCC(C)C 11a_100000225621_100000181311 [1,1,0,0,0,0|1,0,1]=4 4850 B10R0.57 CCN(C)C(=O)CCC(C)C 1626a_100000225621_100000181311 [1,1,0,0,0,0|1,0,1]=4 4851 B10R0.57 CCN(C)C(=O)CCC(C)C 240690a_100000225621_100000181311 [1,1,0,0,0,0|1,0,1]=4 4852 B10R0.57 CCN(C)C(=O)CCC(C)C 527a_100000225621_100000181311 [1,1,0,0,0,0|1,0,1]=4 4853 B10R0.57 CCN(C)C(C)CCC(C)C 2230a_100000225621_100011261404 [1,1,0,0,0,0|1,0,0]=3 4854 B10R0.57 CCN(C)C(C)CCC(C)C 269982a_100000225621_100011261404 [1,1,0,0,0,0|1,0,0]=3 4855 B10R0.57 CCN(C)C(C)COC(C)C 7a_100000732741_100000210206 [1,1,0,0,0,0|2,0,0]=4 4856 B10R0.57 COC(C)C(=O)CCC(C)C 1458a_100000743197_100000210312 [1,1,0,0,0,0|1,0,1]=4 4857 B10R0.57 COC(C)N(C)CCC(C)C 269982a_100000742789_100009879195 [1,1,0,0,0,0|2,0,0]=4 4858 B10R0.57 CSC(C)C(=O)CCC(C)C 1458a_100000149566_100000210312 [1,1,0,0,0,0|1,0,1]=4 4859 B10R0.57 C[C@H](CO)N(C)CCN(C)C 269982a_100000225618_100016084084 [1,1,0,0,0,0|2,0,0]=4 4860 B10R0.59 C#CC(C)NCCC(C)CO 34a_106354213184_200000035995 [1,1,0,0,0,0|1,0,1]=4 4861 B10R0.59 C=CC(C)COCC(C)CC 34a_100011215527_100000748023 [1,1,0,0,0,0|1,0,1]=4 4862 B10R0.59 C=CC(C)COCC(C)CC 7a_100011215527_100000748023 [1,1,0,0,0,0|1,0,1]=4 4863 B10R0.59 C=CC(C)COC[C@@H](C)CC 34a_100011215527_100009816398 [1,1,0,0,0,0|1,0,1]=4 4864 B10R0.59 C=CC(C)COC[C@@H](C)CC 7a_100011215527_100009816398 [1,1,0,0,0,0|1,0,1]=4 4865 B10R0.59 C=CC(C)COC[C@@H](C)CO 34a_100011215527_100000059175 [1,1,0,0,0,0|1,0,1]=4 4866 B10R0.59 C=CC(C)COC[C@@H](C)CO 7a_100011215527_100000059175 [1,1,0,0,0,0|1,0,1]=4 4867 B10R0.59 CC(CN)COCC(O)CO 34a_100000744482_100011219619 [1,1,0,0,0,0|2,0,0]=4 4868 B10R0.59 CC(CN)COC[C@@H](C)CO 34a_100000744482_100000059175 [1,1,0,0,0,0|1,0,0]=3 4869 B10R0.59 CC(CN)COC[C@@H](O)CO 34a_100000744482_100009815848 [1,1,0,0,0,0|2,0,0]=4 4870 B10R0.59 CC(CO)CCNC(C)C#N 2230a_106354213184_100000184139 [1,1,0,0,0,0|1,0,1]=4 4871 B10R0.59 CC(CO)CCNC(C)CO 2230a_106354213184_100012180447 [1,1,0,0,0,0|1,0,0]=3 4872 B10R0.59 CC(CO)CCNC(C)CO 34a_106354213184_100012180447 [1,1,0,0,0,0|1,0,0]=3 4873 B10R0.59 CC(CO)CNCC(O)CO 34a_100000744482_100011219619 [1,1,0,0,0,0|2,0,0]=4 4874 B10R0.59 CC(CO)CNC[C@@H](C)CO 34a_100000744482_100000059175 [1,1,0,0,0,0|1,0,0]=3 4875 B10R0.59 CC(CO)CNC[C@@H](O)CF 34a_100000744482_100015614560 [1,1,0,0,0,0|2,0,0]=4 4876 B10R0.59 CC(CO)CNC[C@@H](O)CO 34a_100000744482_100009815848 [1,1,0,0,0,0|2,0,0]=4 4877 B10R0.59 CCC(C)CCNC(C)C#N 2230a_100020591266_100000184139 [1,1,0,0,0,0|1,0,1]=4 4878 B10R0.59 CCC(C)CCNC(C)CC 2230a_100020591266_100000758301 [1,1,0,0,0,0|1,0,0]=3 4879 B10R0.59 CCC(C)CCNC(C)CO 2230a_100020591266_100012180447 [1,1,0,0,0,0|1,0,0]=3 4880 B10R0.59 CCC(C)CCOC(C)C#N 7a_100011215188_100000703298 [1,1,0,0,0,0|1,0,1]=4 4881 B10R0.59 CCC(C)CCOC(C)CC 7a_100011215188_100000758301 [1,1,0,0,0,0|1,0,0]=3 4882 B10R0.59 CCC(C)CCOC(C)CO 7a_100011215188_100012180447 [1,1,0,0,0,0|1,0,0]=3 4883 B10R0.59 CCC(C)CNCC(C)CC 2230a_100020588543_100000748023 [1,1,0,0,0,0|1,0,0]=3 4884 B10R0.59 CCC(C)CNCC(C)CC 270004a_100020588543_100000243153 [1,1,0,0,0,0|1,0,0]=3 4885 B10R0.59 CCC(C)CNCC(C)CO 34a_100000744482_100000748023 [1,1,0,0,0,0|1,0,0]=3 4886 B10R0.59 CCC(C)CNCC(O)CC 2230a_100011218483_100000748023 [1,1,0,0,0,0|2,0,0]=4 4887 B10R0.59 CCC(C)CNCC(O)CC 2230a_100020588543_100011218378 [1,1,0,0,0,0|2,0,0]=4 4888 B10R0.59 CCC(C)CNCC(O)CC 270004a_100011218483_100000243153 [1,1,0,0,0,0|2,0,0]=4 4889 B10R0.59 CCC(C)CNCC(O)CO 2230a_100020588543_100011219619 [1,1,0,0,0,0|2,0,0]=4 4890 B10R0.59 CCC(C)CNC[C@@H](C)CC 2230a_100020588543_100009816398 [1,1,0,0,0,0|1,0,0]=3 4891 B10R0.59 CCC(C)CNC[C@@H](C)CO 2230a_100020588543_100000059175 [1,1,0,0,0,0|1,0,0]=3 4892 B10R0.59 CCC(C)CNC[C@@H](C)OC 2230a_100020591295_100000748023 [1,1,0,0,0,0|1,0,0]=3 4893 B10R0.59 CCC(C)CNC[C@@H](C)OC 270004a_100020591295_100000243153 [1,1,0,0,0,0|1,0,0]=3 4894 B10R0.59 CCC(C)CNC[C@@H](F)CO 270004a_100015665980_100000243153 [1,1,0,0,0,0|2,0,0]=4 4895 B10R0.59 CCC(C)CNC[C@@H](F)CO 34a_100015665980_100000748023 [1,1,0,0,0,0|2,0,0]=4 4896 B10R0.59 CCC(C)CNC[C@@H](O)CF 2230a_100020588543_100015614560 [1,1,0,0,0,0|2,0,0]=4 4897 B10R0.59 CCC(C)CNC[C@@H](O)CO 2230a_100020588543_100009815848 [1,1,0,0,0,0|2,0,0]=4 4898 B10R0.59 CCC(C)CNC[C@H](O)CO 2230a_100020644852_100000748023 [1,1,0,0,0,0|2,0,0]=4 4899 B10R0.59 CCC(C)COCC(C)CN 34a_100000744482_100000748023 [1,1,0,0,0,0|1,0,0]=3 4900 B10R0.59 CCC(C)COCC(C)OC 34a_100000690652_100000748023 [1,1,0,0,0,0|1,0,0]=3 4901 B10R0.59 CCC(C)COCC(Cl)CCl 34a_100000033668_100000748023 [1,1,0,0,0,0|2,0,0]=4 4902 B10R0.59 CCC(C)COC[C@@H](C)CC 7a_100009816381_100000748023 [1,1,0,0,0,0|1,0,0]=3 4903 B10R0.59 CCC(C)COC[C@H](F)CN 34a_100015665980_100000748023 [1,1,0,0,0,0|2,0,0]=4 4904 B10R0.59 CCC(C)CSCC(C)CC 62a_100000748023_100000748023 [1,1,0,0,0,0|1,0,0]=3 4905 B10R0.59 CCC(C)CSCC(O)CC 62a_100000748023_100011218378 [1,1,0,0,0,0|2,0,0]=4 4906 B10R0.59 CCC(C)CSCC(O)CC 62a_100011218378_100000748023 [1,1,0,0,0,0|2,0,0]=4 4907 B10R0.59 CCC(C)CSCC(O)CO 62a_100000748023_100011219619 [1,1,0,0,0,0|2,0,0]=4 4908 B10R0.59 CCC(C)CSCC(O)CO 62a_100011219619_100000748023 [1,1,0,0,0,0|2,0,0]=4 4909 B10R0.59 CCC(C)CSC[C@@H](C)CC 62a_100000748023_100009816398 [1,1,0,0,0,0|1,0,0]=3 4910 B10R0.59 CCC(C)CSC[C@@H](C)CC 62a_100009816398_100000748023 [1,1,0,0,0,0|1,0,0]=3 4911 B10R0.59 CCC(C)CSC[C@@H](C)CO 62a_100000059175_100000748023 [1,1,0,0,0,0|1,0,0]=3 4912 B10R0.59 CCC(C)CSC[C@@H](C)CO 62a_100000748023_100000059175 [1,1,0,0,0,0|1,0,0]=3 4913 B10R0.59 CCC(C)CSC[C@@H](O)CF 62a_100000748023_100015614560 [1,1,0,0,0,0|2,0,0]=4 4914 B10R0.59 CCC(C)CSC[C@@H](O)CF 62a_100015614560_100000748023 [1,1,0,0,0,0|2,0,0]=4 4915 B10R0.59 CCC(C)CSC[C@@H](O)CO 62a_100000748023_100009815848 [1,1,0,0,0,0|2,0,0]=4 4916 B10R0.59 CCC(C)CSC[C@@H](O)CO 62a_100009815848_100000748023 [1,1,0,0,0,0|2,0,0]=4 4917 B10R0.59 CCC(C)NCCC(C)CO 2230a_106354213184_100000758301 [1,1,0,0,0,0|1,0,0]=3 4918 B10R0.59 CCC(C)NCCC(C)CO 34a_106354213184_100011215416 [1,1,0,0,0,0|1,0,0]=3 4919 B10R0.59 CCC(C)OCCC(C)OC 7a_100000764861_100000758301 [1,1,0,0,0,0|1,0,0]=3 4920 B10R0.59 CCC(O)CNCC(C)CO 34a_100000744482_100011218378 [1,1,0,0,0,0|2,0,0]=4 4921 B10R0.59 CCC(O)CNC[C@@H](C)CC 2230a_100011218483_100009816398 [1,1,0,0,0,0|2,0,0]=4 4922 B10R0.59 CCC(O)CNC[C@@H](C)CO 2230a_100011218483_100000059175 [1,1,0,0,0,0|2,0,0]=4 4923 B10R0.59 CCC(O)CNC[C@@H](C)OC 2230a_100020591295_100011218378 [1,1,0,0,0,0|2,0,0]=4 4924 B10R0.59 CCC(O)COCC(C)CN 34a_100000744482_100011218378 [1,1,0,0,0,0|2,0,0]=4 4925 B10R0.59 CCC(O)COCC(C)OC 34a_100000690652_100011218378 [1,1,0,0,0,0|2,0,0]=4 4926 B10R0.59 CCC(O)COC[C@@H](C)CC 7a_100009816381_100011218378 [1,1,0,0,0,0|2,0,0]=4 4927 B10R0.59 CCC(O)CSC[C@@H](C)CC 62a_100009816398_100011218378 [1,1,0,0,0,0|2,0,0]=4 4928 B10R0.59 CCC(O)CSC[C@@H](C)CC 62a_100011218378_100009816398 [1,1,0,0,0,0|2,0,0]=4 4929 B10R0.59 CCC(O)CSC[C@@H](C)CO 62a_100000059175_100011218378 [1,1,0,0,0,0|2,0,0]=4 4930 B10R0.59 CCC(O)CSC[C@@H](C)CO 62a_100011218378_100000059175 [1,1,0,0,0,0|2,0,0]=4 4931 B10R0.59 CCN(C)CCCN(C)CC 2230a_100000225621_100015186262 [1,1,0,0,0,0|2,0,0]=4 4932 B10R0.59 CCN(C)CCCN(C)CC 269982a_100000225621_100015186262 [1,1,0,0,0,0|2,0,0]=4 4933 B10R0.59 CC[C@H](C)CNCC(C)CO 34a_100000744482_100009816398 [1,1,0,0,0,0|1,0,0]=3 4934 B10R0.59 CC[C@H](C)CNC[C@@H](C)OC 2230a_100020591295_100009816398 [1,1,0,0,0,0|1,0,0]=3 4935 B10R0.59 CC[C@H](C)CNC[C@@H](F)CO 34a_100015665980_100009816398 [1,1,0,0,0,0|2,0,0]=4 4936 B10R0.59 CC[C@H](C)CNC[C@H](O)CO 2230a_100020644852_100009816398 [1,1,0,0,0,0|2,0,0]=4 4937 B10R0.59 CC[C@H](C)COCC(C)CN 34a_100000744482_100009816398 [1,1,0,0,0,0|1,0,0]=3 4938 B10R0.59 CC[C@H](C)COCC(C)OC 34a_100000690652_100009816398 [1,1,0,0,0,0|1,0,0]=3 4939 B10R0.59 CC[C@H](C)COCC(Cl)CCl 34a_100000033668_100009816398 [1,1,0,0,0,0|2,0,0]=4 4940 B10R0.59 CC[C@H](C)COCC(O)CO 7a_100009816381_100011219619 [1,1,0,0,0,0|2,0,0]=4 4941 B10R0.59 CC[C@H](C)COC[C@@H](C)CC 7a_100009816381_100009816398 [1,1,0,0,0,0|1,0,0]=3 4942 B10R0.59 CC[C@H](C)COC[C@@H](C)CO 7a_100009816381_100000059175 [1,1,0,0,0,0|1,0,0]=3 4943 B10R0.59 CC[C@H](C)COC[C@@H](O)CF 7a_100009816381_100015614560 [1,1,0,0,0,0|2,0,0]=4 4944 B10R0.59 CC[C@H](C)COC[C@@H](O)CO 7a_100009816381_100009815848 [1,1,0,0,0,0|2,0,0]=4 4945 B10R0.59 CC[C@H](C)COC[C@H](F)CN 34a_100015665980_100009816398 [1,1,0,0,0,0|2,0,0]=4 4946 B10R0.59 CC[C@H](C)CSCC(O)CO 62a_100009816398_100011219619 [1,1,0,0,0,0|2,0,0]=4 4947 B10R0.59 CC[C@H](C)CSCC(O)CO 62a_100011219619_100009816398 [1,1,0,0,0,0|2,0,0]=4 4948 B10R0.59 CC[C@H](C)CSC[C@@H](C)CC 62a_100009816398_100009816398 [1,1,0,0,0,0|1,0,0]=3 4949 B10R0.59 CC[C@H](C)CSC[C@@H](C)CO 62a_100000059175_100009816398 [1,1,0,0,0,0|1,0,0]=3 4950 B10R0.59 CC[C@H](C)CSC[C@@H](C)CO 62a_100009816398_100000059175 [1,1,0,0,0,0|1,0,0]=3 4951 B10R0.59 CC[C@H](C)CSC[C@@H](O)CF 62a_100009816398_100015614560 [1,1,0,0,0,0|2,0,0]=4 4952 B10R0.59 CC[C@H](C)CSC[C@@H](O)CF 62a_100015614560_100009816398 [1,1,0,0,0,0|2,0,0]=4 4953 B10R0.59 CC[C@H](C)CSC[C@@H](O)CO 62a_100009815848_100009816398 [1,1,0,0,0,0|2,0,0]=4 4954 B10R0.59 CC[C@H](C)CSC[C@@H](O)CO 62a_100009816398_100009815848 [1,1,0,0,0,0|2,0,0]=4 4955 B10R0.59 COC(C)CCOC(C)CO 7a_100000764861_100012180447 [1,1,0,0,0,0|1,0,0]=3 4956 B10R0.59 COC(C)COCC(O)CO 34a_100000690652_100011219619 [1,1,0,0,0,0|2,0,0]=4 4957 B10R0.59 COC(C)COC[C@@H](C)CO 34a_100000690652_100000059175 [1,1,0,0,0,0|1,0,0]=3 4958 B10R0.59 COC(C)COC[C@@H](O)CO 34a_100000690652_100009815848 [1,1,0,0,0,0|2,0,0]=4 4959 B10R0.59 CO[C@H](C)CNCC(O)CO 2230a_100020591295_100011219619 [1,1,0,0,0,0|2,0,0]=4 4960 B10R0.59 CO[C@H](C)CNC[C@@H](C)CO 2230a_100020591295_100000059175 [1,1,0,0,0,0|1,0,0]=3 4961 B10R0.59 CO[C@H](C)CNC[C@@H](O)CO 2230a_100020591295_100009815848 [1,1,0,0,0,0|2,0,0]=4 4962 B10R0.59 C[C@@H](CO)CNC[C@@H](F)CO 34a_100015665980_100000059175 [1,1,0,0,0,0|2,0,0]=4 4963 B10R0.59 C[C@@H](CO)CNC[C@H](O)CO 2230a_100020644852_100000059175 [1,1,0,0,0,0|2,0,0]=4 4964 B10R0.59 C[C@@H](CO)COCC(Cl)CCl 34a_100000033668_100000059175 [1,1,0,0,0,0|2,0,0]=4 4965 B10R0.59 C[C@@H](CO)COC[C@H](F)CN 34a_100015665980_100000059175 [1,1,0,0,0,0|2,0,0]=4 4966 B10R0.59 C[C@@H](CO)CSCC(O)CO 62a_100000059175_100011219619 [1,1,0,0,0,0|2,0,0]=4 4967 B10R0.59 C[C@@H](CO)CSCC(O)CO 62a_100011219619_100000059175 [1,1,0,0,0,0|2,0,0]=4 4968 B10R0.59 C[C@@H](CO)CSC[C@@H](C)CO 62a_100000059175_100000059175 [1,1,0,0,0,0|1,0,0]=3 4969 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CF 62a_100000059175_100015614560 [1,1,0,0,0,0|2,0,0]=4 4970 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CF 62a_100015614560_100000059175 [1,1,0,0,0,0|2,0,0]=4 4971 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CO 62a_100000059175_100009815848 [1,1,0,0,0,0|2,0,0]=4 4972 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CO 62a_100009815848_100000059175 [1,1,0,0,0,0|2,0,0]=4 4973 B10R0.60 CC(C)(C)CNCC(O)CO 2230a_100000743828_100011219619 [1,1,0,0,0,0|2,0,0]=4 4974 B10R0.60 CC(C)(C)CNC[C@@H](F)CO 270004a_100015665980_100011204126 [1,1,0,0,0,0|2,0,0]=4 4975 B10R0.60 CC(C)(C)CNC[C@@H](F)CO 34a_100015665980_100011219605 [1,1,0,0,0,0|2,0,0]=4 4976 B10R0.60 CC(C)(C)CNC[C@@H](O)CO 2230a_100000743828_100009815848 [1,1,0,0,0,0|2,0,0]=4 4977 B10R0.60 CC(C)(C)CSCC(O)CO 62a_100011219605_100011219619 [1,1,0,0,0,0|2,0,0]=4 4978 B10R0.60 CC(C)(C)CSCC(O)CO 62a_100011219619_100011219605 [1,1,0,0,0,0|2,0,0]=4 4979 B10R0.60 CC(C)(C)CSC[C@@H](O)CO 62a_100009815848_100011219605 [1,1,0,0,0,0|2,0,0]=4 4980 B10R0.60 CC(C)(C)CSC[C@@H](O)CO 62a_100011219605_100009815848 [1,1,0,0,0,0|2,0,0]=4 4981 B10R0.60 CC(C)(F)CNCC(O)CO 2230a_100020643315_100011219619 [1,1,0,0,0,0|2,0,0]=4 4982 B10R0.60 CC(C)(F)CNC[C@@H](F)CO 34a_100015665980_100011997219 [1,1,0,0,0,0|2,0,0]=4 4983 B10R0.60 CC(C)(F)CNC[C@@H](O)CO 2230a_100020643315_100009815848 [1,1,0,0,0,0|2,0,0]=4 4984 B10R0.60 CC(C)(F)COCC(O)CO 34a_100000716592_100011219619 [1,1,0,0,0,0|2,0,0]=4 4985 B10R0.60 CC(C)(F)COC[C@@H](O)CO 34a_100000716592_100009815848 [1,1,0,0,0,0|2,0,0]=4 4986 B10R0.60 CC(C)(F)CSCC(O)CO 62a_100011219619_100011997219 [1,1,0,0,0,0|2,0,0]=4 4987 B10R0.60 CC(C)(F)CSCC(O)CO 62a_100011997219_100011219619 [1,1,0,0,0,0|2,0,0]=4 4988 B10R0.60 CC(C)(F)CSC[C@@H](O)CO 62a_100009815848_100011997219 [1,1,0,0,0,0|2,0,0]=4 4989 B10R0.60 CC(C)(F)CSC[C@@H](O)CO 62a_100011997219_100009815848 [1,1,0,0,0,0|2,0,0]=4 4990 B10R0.60 CC(C)(O)CNCC(O)CO 2230a_100000751335_100011219619 [1,1,0,0,0,0|2,0,0]=4 4991 B10R0.60 CC(C)(O)CNC[C@@H](F)CO 34a_100015665980_100000764493 [1,1,0,0,0,0|2,0,0]=4 4992 B10R0.60 CC(C)(O)CNC[C@@H](O)CO 2230a_100000751335_100009815848 [1,1,0,0,0,0|2,0,0]=4 4993 B10R0.60 CC(C)(O)CSCC(O)CO 62a_100000764493_100011219619 [1,1,0,0,0,0|2,0,0]=4 4994 B10R0.60 CC(C)(O)CSCC(O)CO 62a_100011219619_100000764493 [1,1,0,0,0,0|2,0,0]=4 4995 B10R0.60 CC(C)(O)CSC[C@@H](O)CO 62a_100000764493_100009815848 [1,1,0,0,0,0|2,0,0]=4 4996 B10R0.60 CC(C)(O)CSC[C@@H](O)CO 62a_100009815848_100000764493 [1,1,0,0,0,0|2,0,0]=4 4997 B10R0.60 CC(CF)OCCC(C)(C)C 34a_100016041109_100000755188 [1,1,0,0,0,0|2,0,0]=4 4998 B10R0.60 CC(CF)OCCC(C)(C)C 7a_100016041109_100000755188 [1,1,0,0,0,0|2,0,0]=4 4999 B10R0.60 CC(CF)OCCC(C)(C)O 34a_100016041109_100000702414 [1,1,0,0,0,0|2,0,0]=4 5000 B10R0.60 CC(CF)OCCC(C)(C)O 7a_100016041109_100000702414 [1,1,0,0,0,0|2,0,0]=4 5001 B10R0.60 CC(CN)COCC(C)(C)C 34a_100000744482_100011219605 [1,1,0,0,0,0|2,0,0]=4 5002 B10R0.60 CC(CN)COCC(C)(C)F 34a_100000744482_100011997219 [1,1,0,0,0,0|2,0,0]=4 5003 B10R0.60 CC(CN)COCC(C)(C)O 34a_100000744482_100000764493 [1,1,0,0,0,0|2,0,0]=4 5004 B10R0.60 CC(CN)OCCC(C)(C)C 34a_100000210904_100000755188 [1,1,0,0,0,0|2,0,0]=4 5005 B10R0.60 CC(CN)OCCC(C)(C)O 34a_100000210904_100000702414 [1,1,0,0,0,0|2,0,0]=4 5006 B10R0.60 CC(CO)CCNC(C)(C)C 34a_106354213184_100000210625 [1,1,0,0,0,0|1,0,0]=3 5007 B10R0.60 CC(CO)CNCC(C)(C)C 34a_100000744482_100011219605 [1,1,0,0,0,0|1,0,0]=3 5008 B10R0.60 CC(CO)CNCC(C)(C)F 34a_100000744482_100011997219 [1,1,0,0,0,0|1,0,0]=3 5009 B10R0.60 CC(CO)CNCC(C)(C)O 34a_100000744482_100000764493 [1,1,0,0,0,0|1,0,0]=3 5010 B10R0.60 CC(CO)NCCC(C)(C)C 2230a_100000738805_100012180447 [1,1,0,0,0,0|1,0,0]=3 5011 B10R0.60 CC(CO)NCCC(C)(C)F 2230a_100016253952_100012180447 [1,1,0,0,0,0|1,0,0]=3 5012 B10R0.60 CC(CO)OCCC(C)(C)C 7a_100000765024_100012180447 [1,1,0,0,0,0|1,0,0]=3 5013 B10R0.60 CC(CO)OCC[N+](C)(C)C 7a_200020618287_100012180447 [1,1,0,0,0,0|2,0,0]=4 5014 B10R0.60 CC(CO)OCC[Si](C)(C)C 7a_100000039746_100012180447 [1,1,0,0,0,0|1,1,0]=4 5015 B10R0.60 CC(CO)SCCC(C)(C)C 62a_100012180447_100000755188 [1,1,0,0,0,0|1,0,0]=3 5016 B10R0.60 CC(CO)SCCC(C)(C)O 62a_100012180447_100000702414 [1,1,0,0,0,0|1,0,0]=3 5017 B10R0.60 CC(CO)SCC[N+](C)(C)C 62a_100012180447_100000085578 [1,1,0,0,0,0|2,0,0]=4 5018 B10R0.60 CC(CO)SCC[Si](C)(C)C 62a_100012180447_200000733723 [1,1,0,0,0,0|1,1,0]=4 5019 B10R0.60 CCC(C)CNCC(C)(C)C 2230a_100000743828_100000748023 [1,1,0,0,0,0|1,0,0]=3 5020 B10R0.60 CCC(C)CNCC(C)(C)C 270004a_100000743828_100000243153 [1,1,0,0,0,0|1,0,0]=3 5021 B10R0.60 CCC(C)CNCC(C)(C)C 270004a_100020588543_100011204126 [1,1,0,0,0,0|1,0,0]=3 5022 B10R0.60 CCC(C)CNCC(C)(C)F 2230a_100020643315_100000748023 [1,1,0,0,0,0|1,0,0]=3 5023 B10R0.60 CCC(C)CNCC(C)(C)F 270004a_100020643315_100000243153 [1,1,0,0,0,0|1,0,0]=3 5024 B10R0.60 CCC(C)CNCC(C)(C)O 2230a_100000751335_100000748023 [1,1,0,0,0,0|1,0,0]=3 5025 B10R0.60 CCC(C)CNCC(C)(C)O 270004a_100000751335_100000243153 [1,1,0,0,0,0|1,0,0]=3 5026 B10R0.60 CCC(C)CNCC(C)(F)F 270004a_100000731000_100000243153 [1,1,0,0,0,0|2,0,0]=4 5027 B10R0.60 CCC(C)CNC[Si](C)(C)C 2230a_100020588543_100000037933 [1,1,0,0,0,0|1,1,0]=4 5028 B10R0.60 CCC(C)COCC(C)(C)F 34a_100000716592_100000748023 [1,1,0,0,0,0|1,0,0]=3 5029 B10R0.60 CCC(C)COCC(C)(F)F 34a_100000068830_100000748023 [1,1,0,0,0,0|2,0,0]=4 5030 B10R0.60 CCC(C)CSCC(C)(C)C 62a_100000748023_100011219605 [1,1,0,0,0,0|1,0,0]=3 5031 B10R0.60 CCC(C)CSCC(C)(C)C 62a_100011219605_100000748023 [1,1,0,0,0,0|1,0,0]=3 5032 B10R0.60 CCC(C)CSCC(C)(C)F 62a_100000748023_100011997219 [1,1,0,0,0,0|1,0,0]=3 5033 B10R0.60 CCC(C)CSCC(C)(C)F 62a_100011997219_100000748023 [1,1,0,0,0,0|1,0,0]=3 5034 B10R0.60 CCC(C)CSCC(C)(C)O 62a_100000748023_100000764493 [1,1,0,0,0,0|1,0,0]=3 5035 B10R0.60 CCC(C)CSCC(C)(C)O 62a_100000764493_100000748023 [1,1,0,0,0,0|1,0,0]=3 5036 B10R0.60 CCC(C)CSC[N+](C)(C)C 62a_100000748023_200000036245 [1,1,0,0,0,0|2,0,0]=4 5037 B10R0.60 CCC(C)CSC[N+](C)(C)C 62a_200000036245_100000748023 [1,1,0,0,0,0|2,0,0]=4 5038 B10R0.60 CCC(C)CSC[Si](C)(C)C 62a_100000037933_100000748023 [1,1,0,0,0,0|1,1,0]=4 5039 B10R0.60 CCC(C)CSC[Si](C)(C)C 62a_100000748023_100000037933 [1,1,0,0,0,0|1,1,0]=4 5040 B10R0.60 CCC(C)NCCC(C)(C)C 2230a_100000209981_100000755188 [1,1,0,0,0,0|1,0,0]=3 5041 B10R0.60 CCC(C)NCCC(C)(C)C 2230a_100000738805_100000758301 [1,1,0,0,0,0|1,0,0]=3 5042 B10R0.60 CCC(C)NCCC(C)(C)F 2230a_100016253952_100000758301 [1,1,0,0,0,0|1,0,0]=3 5043 B10R0.60 CCC(C)NCCC(C)(C)O 2230a_100000209981_100000702414 [1,1,0,0,0,0|1,0,0]=3 5044 B10R0.60 CCC(C)NCC[Si](C)(C)C 2230a_100000209981_200000733723 [1,1,0,0,0,0|1,1,0]=4 5045 B10R0.60 CCC(C)OCCC(C)(C)C 7a_100000210228_100000755188 [1,1,0,0,0,0|1,0,0]=3 5046 B10R0.60 CCC(C)OCCC(C)(C)C 7a_100000765024_100000758301 [1,1,0,0,0,0|1,0,0]=3 5047 B10R0.60 CCC(C)OCCC(C)(C)O 7a_100000210228_100000702414 [1,1,0,0,0,0|1,0,0]=3 5048 B10R0.60 CCC(C)OCC[N+](C)(C)C 7a_100000210228_100000085578 [1,1,0,0,0,0|2,0,0]=4 5049 B10R0.60 CCC(C)OCC[N+](C)(C)C 7a_200020618287_100000758301 [1,1,0,0,0,0|2,0,0]=4 5050 B10R0.60 CCC(C)OCC[Si](C)(C)C 7a_100000039746_100000758301 [1,1,0,0,0,0|1,1,0]=4 5051 B10R0.60 CCC(C)OCC[Si](C)(C)C 7a_100000210228_200000733723 [1,1,0,0,0,0|1,1,0]=4 5052 B10R0.60 CCC(C)SCCC(C)(C)C 62a_100000755188_100000758301 [1,1,0,0,0,0|1,0,0]=3 5053 B10R0.60 CCC(C)SCCC(C)(C)C 62a_100000758301_100000755188 [1,1,0,0,0,0|1,0,0]=3 5054 B10R0.60 CCC(C)SCCC(C)(C)O 62a_100000702414_100000758301 [1,1,0,0,0,0|1,0,0]=3 5055 B10R0.60 CCC(C)SCCC(C)(C)O 62a_100000758301_100000702414 [1,1,0,0,0,0|1,0,0]=3 5056 B10R0.60 CCC(C)SCC[N+](C)(C)C 62a_100000085578_100000758301 [1,1,0,0,0,0|2,0,0]=4 5057 B10R0.60 CCC(C)SCC[N+](C)(C)C 62a_100000758301_100000085578 [1,1,0,0,0,0|2,0,0]=4 5058 B10R0.60 CCC(C)SCC[Si](C)(C)C 62a_100000758301_200000733723 [1,1,0,0,0,0|1,1,0]=4 5059 B10R0.60 CCC(C)SCC[Si](C)(C)C 62a_200000733723_100000758301 [1,1,0,0,0,0|1,1,0]=4 5060 B10R0.60 CCC(O)CNCC(C)(C)C 2230a_100000743828_100011218378 [1,1,0,0,0,0|2,0,0]=4 5061 B10R0.60 CCC(O)CNCC(C)(C)C 270004a_100011218483_100011204126 [1,1,0,0,0,0|2,0,0]=4 5062 B10R0.60 CCC(O)CNCC(C)(C)F 2230a_100020643315_100011218378 [1,1,0,0,0,0|2,0,0]=4 5063 B10R0.60 CCC(O)CNCC(C)(C)O 2230a_100000751335_100011218378 [1,1,0,0,0,0|2,0,0]=4 5064 B10R0.60 CCC(O)COCC(C)(C)F 34a_100000716592_100011218378 [1,1,0,0,0,0|2,0,0]=4 5065 B10R0.60 CCC(O)CSCC(C)(C)C 62a_100011218378_100011219605 [1,1,0,0,0,0|2,0,0]=4 5066 B10R0.60 CCC(O)CSCC(C)(C)C 62a_100011219605_100011218378 [1,1,0,0,0,0|2,0,0]=4 5067 B10R0.60 CCC(O)CSCC(C)(C)F 62a_100011218378_100011997219 [1,1,0,0,0,0|2,0,0]=4 5068 B10R0.60 CCC(O)CSCC(C)(C)F 62a_100011997219_100011218378 [1,1,0,0,0,0|2,0,0]=4 5069 B10R0.60 CCC(O)CSCC(C)(C)O 62a_100000764493_100011218378 [1,1,0,0,0,0|2,0,0]=4 5070 B10R0.60 CCC(O)CSCC(C)(C)O 62a_100011218378_100000764493 [1,1,0,0,0,0|2,0,0]=4 5071 B10R0.60 CCN(C)CCCC(C)(C)O 2230a_100000225621_100009888830 [1,1,0,0,0,0|1,0,0]=3 5072 B10R0.60 CCN(C)CCCC(C)(C)O 269982a_100000225621_100009888830 [1,1,0,0,0,0|1,0,0]=3 5073 B10R0.60 CCN(C)CCC[N+](C)(C)C 2230a_100000225621_100016990835 [1,1,0,0,0,0|2,0,0]=4 5074 B10R0.60 CCN(C)CCC[N+](C)(C)C 269982a_100000225621_100016990835 [1,1,0,0,0,0|2,0,0]=4 5075 B10R0.60 CCN(C)CCC[Si](C)(C)C 2230a_100000225621_100011219597 [1,1,0,0,0,0|1,1,0]=4 5076 B10R0.60 CCN(C)CCC[Si](C)(C)C 269982a_100000225621_100011219597 [1,1,0,0,0,0|1,1,0]=4 5077 B10R0.60 CCN(C)CCOC(C)(C)C 2230a_100000690421_100000210202 [1,1,0,0,0,0|2,0,0]=4 5078 B10R0.60 CCN(C)CCOC(C)(C)C 269982a_100000690421_100000204670 [1,1,0,0,0,0|2,0,0]=4 5079 B10R0.60 CC[C@H](C)CNCC(C)(C)C 2230a_100000743828_100009816398 [1,1,0,0,0,0|1,0,0]=3 5080 B10R0.60 CC[C@H](C)CNCC(C)(C)F 2230a_100020643315_100009816398 [1,1,0,0,0,0|1,0,0]=3 5081 B10R0.60 CC[C@H](C)CNCC(C)(C)O 2230a_100000751335_100009816398 [1,1,0,0,0,0|1,0,0]=3 5082 B10R0.60 CC[C@H](C)COCC(C)(C)F 34a_100000716592_100009816398 [1,1,0,0,0,0|1,0,0]=3 5083 B10R0.60 CC[C@H](C)COCC(C)(C)O 7a_100009816381_100000764493 [1,1,0,0,0,0|1,0,0]=3 5084 B10R0.60 CC[C@H](C)COCC(C)(F)F 34a_100000068830_100009816398 [1,1,0,0,0,0|2,0,0]=4 5085 B10R0.60 CC[C@H](C)COC[Si](C)(C)C 7a_100009816381_100000233785 [1,1,0,0,0,0|1,1,0]=4 5086 B10R0.60 CC[C@H](C)CSCC(C)(C)C 62a_100009816398_100011219605 [1,1,0,0,0,0|1,0,0]=3 5087 B10R0.60 CC[C@H](C)CSCC(C)(C)C 62a_100011219605_100009816398 [1,1,0,0,0,0|1,0,0]=3 5088 B10R0.60 CC[C@H](C)CSCC(C)(C)F 62a_100009816398_100011997219 [1,1,0,0,0,0|1,0,0]=3 5089 B10R0.60 CC[C@H](C)CSCC(C)(C)F 62a_100011997219_100009816398 [1,1,0,0,0,0|1,0,0]=3 5090 B10R0.60 CC[C@H](C)CSCC(C)(C)O 62a_100000764493_100009816398 [1,1,0,0,0,0|1,0,0]=3 5091 B10R0.60 CC[C@H](C)CSCC(C)(C)O 62a_100009816398_100000764493 [1,1,0,0,0,0|1,0,0]=3 5092 B10R0.60 CC[C@H](C)CSC[N+](C)(C)C 62a_100009816398_200000036245 [1,1,0,0,0,0|2,0,0]=4 5093 B10R0.60 CC[C@H](C)CSC[N+](C)(C)C 62a_200000036245_100009816398 [1,1,0,0,0,0|2,0,0]=4 5094 B10R0.60 CC[C@H](C)CSC[Si](C)(C)C 62a_100000037933_100009816398 [1,1,0,0,0,0|1,1,0]=4 5095 B10R0.60 CC[C@H](C)CSC[Si](C)(C)C 62a_100009816398_100000037933 [1,1,0,0,0,0|1,1,0]=4 5096 B10R0.60 COC(C)COCC(C)(C)C 34a_100000690652_100011219605 [1,1,0,0,0,0|2,0,0]=4 5097 B10R0.60 COC(C)COCC(C)(C)F 34a_100000690652_100011997219 [1,1,0,0,0,0|2,0,0]=4 5098 B10R0.60 COC(C)COCC(C)(C)O 34a_100000690652_100000764493 [1,1,0,0,0,0|2,0,0]=4 5099 B10R0.60 COC(C)SCCC(C)(C)C 62a_100000755188_100009879195 [1,1,0,0,0,0|2,0,0]=4 5100 B10R0.60 COC(C)SCCC(C)(C)C 62a_100009879195_100000755188 [1,1,0,0,0,0|2,0,0]=4 5101 B10R0.60 COC(C)SCCC(C)(C)O 62a_100000702414_100009879195 [1,1,0,0,0,0|2,0,0]=4 5102 B10R0.60 COC(C)SCCC(C)(C)O 62a_100009879195_100000702414 [1,1,0,0,0,0|2,0,0]=4 5103 B10R0.60 CO[C@H](C)CNCC(C)(C)C 270004a_100020591295_100011204126 [1,1,0,0,0,0|2,0,0]=4 5104 B10R0.60 C[C@@H](CO)CNCC(C)(C)C 2230a_100000743828_100000059175 [1,1,0,0,0,0|1,0,0]=3 5105 B10R0.60 C[C@@H](CO)CNCC(C)(C)F 2230a_100020643315_100000059175 [1,1,0,0,0,0|1,0,0]=3 5106 B10R0.60 C[C@@H](CO)CNCC(C)(C)O 2230a_100000751335_100000059175 [1,1,0,0,0,0|1,0,0]=3 5107 B10R0.60 C[C@@H](CO)COCC(C)(C)F 34a_100000716592_100000059175 [1,1,0,0,0,0|1,0,0]=3 5108 B10R0.60 C[C@@H](CO)COCC(C)(F)F 34a_100000068830_100000059175 [1,1,0,0,0,0|2,0,0]=4 5109 B10R0.60 C[C@@H](CO)CSCC(C)(C)C 62a_100000059175_100011219605 [1,1,0,0,0,0|1,0,0]=3 5110 B10R0.60 C[C@@H](CO)CSCC(C)(C)C 62a_100011219605_100000059175 [1,1,0,0,0,0|1,0,0]=3 5111 B10R0.60 C[C@@H](CO)CSCC(C)(C)F 62a_100000059175_100011997219 [1,1,0,0,0,0|1,0,0]=3 5112 B10R0.60 C[C@@H](CO)CSCC(C)(C)F 62a_100011997219_100000059175 [1,1,0,0,0,0|1,0,0]=3 5113 B10R0.60 C[C@@H](CO)CSCC(C)(C)O 62a_100000059175_100000764493 [1,1,0,0,0,0|1,0,0]=3 5114 B10R0.60 C[C@@H](CO)CSCC(C)(C)O 62a_100000764493_100000059175 [1,1,0,0,0,0|1,0,0]=3 5115 B10R0.60 C[C@@H](CO)CSC[N+](C)(C)C 62a_100000059175_200000036245 [1,1,0,0,0,0|2,0,0]=4 5116 B10R0.60 C[C@@H](CO)CSC[N+](C)(C)C 62a_200000036245_100000059175 [1,1,0,0,0,0|2,0,0]=4 5117 B10R0.60 C[C@@H](CO)CSC[Si](C)(C)C 62a_100000037933_100000059175 [1,1,0,0,0,0|1,1,0]=4 5118 B10R0.60 C[C@@H](CO)CSC[Si](C)(C)C 62a_100000059175_100000037933 [1,1,0,0,0,0|1,1,0]=4 5119 B10R0.60 C[C@H](CO)NCCC(C)(C)C 2230a_100000737577_100000755188 [1,1,0,0,0,0|1,0,0]=3 5120 B10R0.60 C[C@H](CO)NCCC(C)(C)O 2230a_100000737577_100000702414 [1,1,0,0,0,0|1,0,0]=3 5121 B10R0.60 C[C@H](CO)NCC[Si](C)(C)C 2230a_100000737577_200000733723 [1,1,0,0,0,0|1,1,0]=4 5122 B10R0.60 C[C@H](CO)SCCC(C)(C)C 62a_100000755188_100016084084 [1,1,0,0,0,0|1,0,0]=3 5123 B10R0.60 C[C@H](CO)SCCC(C)(C)C 62a_100016084084_100000755188 [1,1,0,0,0,0|1,0,0]=3 5124 B10R0.60 C[C@H](CO)SCCC(C)(C)O 62a_100000702414_100016084084 [1,1,0,0,0,0|1,0,0]=3 5125 B10R0.60 C[C@H](CO)SCCC(C)(C)O 62a_100016084084_100000702414 [1,1,0,0,0,0|1,0,0]=3 5126 B10R0.60 C[C@H](CO)SCC[N+](C)(C)C 62a_100000085578_100016084084 [1,1,0,0,0,0|2,0,0]=4 5127 B10R0.60 C[C@H](CO)SCC[N+](C)(C)C 62a_100016084084_100000085578 [1,1,0,0,0,0|2,0,0]=4 5128 B10R0.60 C[C@H](CO)SCC[Si](C)(C)C 62a_100016084084_200000733723 [1,1,0,0,0,0|1,1,0]=4 5129 B10R0.60 C[C@H](CO)SCC[Si](C)(C)C 62a_200000733723_100016084084 [1,1,0,0,0,0|1,1,0]=4 5130 B10R0.65 CC(Br)COCC(C)(C)CO 34a_100012180447_100009813988 [1,1,0,0,0,0|2,0,0]=4 5131 B10R0.65 CC(C)CCCC(C)(C)O[13CH3] 7a_100011215742_200025704644 [1,1,0,0,0,0|1,0,0]=3 5132 B10R0.65 CC(C)CCNC(C)(C)CO 2230a_100000210608_100000210312 [1,1,0,0,0,0|1,0,0]=3 5133 B10R0.65 CC(C)CCOC(C)(C)CCl 7a_100000764493_100000210626 [1,1,0,0,0,0|2,0,0]=4 5134 B10R0.65 CC(C)CCSC(F)(F)CO 62a_100000210312_100011217949 [1,1,0,0,0,0|2,0,0]=4 5135 B10R0.65 CC(C)CCSC(F)(F)CO 62a_100011217949_100000210312 [1,1,0,0,0,0|2,0,0]=4 5136 B10R0.65 CC(C)CNCC(C)(C)CO 2230a_100020635058_100000210760 [1,1,0,0,0,0|1,0,0]=3 5137 B10R0.65 CC(C)CNCC(C)(C)CO 270004a_100020635058_100000210432 [1,1,0,0,0,0|1,0,0]=3 5138 B10R0.65 CC(C)CNCC(C)(C)CO 34a_100000210953_100009813988 [1,1,0,0,0,0|1,0,0]=3 5139 B10R0.65 CC(C)COCC(C)(C)CCl 7a_100011217199_100000210760 [1,1,0,0,0,0|2,0,0]=4 5140 B10R0.65 CC(C)COCC(C)(C)CO 34a_100000210257_100009813988 [1,1,0,0,0,0|1,0,0]=3 5141 B10R0.65 CC(C)CSCC(C)(C)CO 62a_100000210624_100009813988 [1,1,0,0,0,0|1,0,0]=3 5142 B10R0.65 CC(C)CSCC(C)(C)CO 62a_100009813988_100000210760 [1,1,0,0,0,0|1,0,0]=3 5143 B10R0.65 CC(C)OCNC(C)(C)CO 2230a_100000210608_100000709892 [1,1,0,0,0,0|2,0,0]=4 5144 B10R0.65 CC(F)COCC(C)(C)CO 34a_100015925927_100009813988 [1,1,0,0,0,0|2,0,0]=4 5145 B10R0.65 CC(O)CCNC(C)(C)CO 2230a_100000210608_100012276601 [1,1,0,0,0,0|2,0,0]=4 5146 B10R0.65 CC(O)CNCC(C)(C)CO 2230a_100020635058_100011218427 [1,1,0,0,0,0|2,0,0]=4 5147 B10R0.65 CC(O)CNCC(C)(C)CO 34a_100000210904_100009813988 [1,1,0,0,0,0|2,0,0]=4 5148 B10R0.65 CC(O)CSCC(C)(C)CO 62a_100009813988_100011218427 [1,1,0,0,0,0|2,0,0]=4 5149 B10R0.65 CC(O)CSCC(C)(C)CO 62a_100011218427_100009813988 [1,1,0,0,0,0|2,0,0]=4 5150 B10R0.65 CCC(C)(C)COCC(C)C 7a_100000765029_100000210760 [1,1,0,0,0,0|1,0,0]=3 5151 B10R0.65 CCC(C)(C)COCC(C)O 7a_100000765029_100011218427 [1,1,0,0,0,0|2,0,0]=4 5152 B10R0.65 CCC(C)(C)COC[C@@H](C)O 7a_100000765029_100009817552 [1,1,0,0,0,0|2,0,0]=4 5153 B10R0.65 CCC(C)(C)NCCC(C)C 2230a_100000211385_100000210312 [1,1,0,0,0,0|1,0,0]=3 5154 B10R0.65 CCC(C)(C)NCCC(C)O 2230a_100000211385_100012276601 [1,1,0,0,0,0|2,0,0]=4 5155 B10R0.65 CCC(C)(C)NCOC(C)C 2230a_100000211385_100000709892 [1,1,0,0,0,0|2,0,0]=4 5156 B10R0.65 CCC(C)(C)OCCC(C)C 7a_100000210230_100000210626 [1,1,0,0,0,0|1,0,0]=3 5157 B10R0.65 CCC(C)(C)OCCC(C)C 7a_100000210254_100000210677 [1,1,0,0,0,0|1,0,0]=3 5158 B10R0.65 CCC(C)(C)OCCC(C)O 7a_100000210230_100012276601 [1,1,0,0,0,0|2,0,0]=4 5159 B10R0.65 CCC(C)(C)OCCN(C)C 7a_100000210230_100000755713 [1,1,0,0,0,0|2,0,0]=4 5160 B10R0.65 CCC(C)(C)SCCC(C)C 62a_100000032637_100000210312 [1,1,0,0,0,0|1,0,0]=3 5161 B10R0.65 CCC(C)(C)SCCC(C)C 62a_100000210312_100000032637 [1,1,0,0,0,0|1,0,0]=3 5162 B10R0.65 CCC(C)(C)SCCC(C)O 62a_100000032637_100012276601 [1,1,0,0,0,0|2,0,0]=4 5163 B10R0.65 CCC(C)(C)SCCC(C)O 62a_100012276601_100000032637 [1,1,0,0,0,0|2,0,0]=4 5164 B10R0.65 CCC(C)(C)SCCN(C)C 62a_100000032637_100000755713 [1,1,0,0,0,0|2,0,0]=4 5165 B10R0.65 CCC(C)(C)SCOC(C)C 62a_100000032637_100000709892 [1,1,0,0,0,0|2,0,0]=4 5166 B10R0.65 CCC(C)(C)SCOC(C)C 62a_100000709892_100000032637 [1,1,0,0,0,0|2,0,0]=4 5167 B10R0.65 COC(C)(C)CCCC(C)C 7a_100011215742_200000210301 [1,1,0,0,0,0|1,0,0]=3 5168 B10R0.65 COC(C)(C)CCOC(C)C 7a_100000699976_100000210206 [1,1,0,0,0,0|2,0,0]=4 5169 B10R0.65 COC(C)(C)CNCC(C)C 2230a_100000763424_100000210760 [1,1,0,0,0,0|2,0,0]=4 5170 B10R0.65 COC(C)(C)CNCC(C)C 270004a_100000763424_100000210432 [1,1,0,0,0,0|2,0,0]=4 5171 B10R0.65 COC(C)(C)CNCC(C)C 34a_100000210953_100000701081 [1,1,0,0,0,0|2,0,0]=4 5172 B10R0.65 COC(C)(C)COCC(C)C 34a_100000210257_100000701081 [1,1,0,0,0,0|2,0,0]=4 5173 B10R0.65 COC(C)(C)CSCC(C)C 62a_100000210624_100000701081 [1,1,0,0,0,0|2,0,0]=4 5174 B10R0.65 COC(C)(C)CSCC(C)C 62a_100000701081_100000210760 [1,1,0,0,0,0|2,0,0]=4 5175 B10R0.65 CSC(C)(C)CNCC(C)C 270004a_100000210953_100009845794 [1,1,0,0,0,0|2,0,0]=4 5176 B10R0.65 C[C@@H](Cl)COCC(C)(C)CO 34a_100016084084_100009813988 [1,1,0,0,0,0|2,0,0]=4 5177 B10R0.65 C[C@@H](N)COCC(C)(C)CO 34a_100000737577_100009813988 [1,1,0,0,0,0|2,0,0]=4 5178 B10R0.65 C[C@@H](O)CNCC(C)(C)CO 2230a_100020635058_100009817552 [1,1,0,0,0,0|2,0,0]=4 5179 B10R0.65 C[C@@H](O)CSCC(C)(C)CO 62a_100009813988_100009817552 [1,1,0,0,0,0|2,0,0]=4 5180 B10R0.65 C[C@@H](O)CSCC(C)(C)CO 62a_100009817552_100009813988 [1,1,0,0,0,0|2,0,0]=4 5181 B10R0.77 C#CC(CC)OCCC(C)C 34a_100000758843_100000210312 [1,1,0,0,0,0|1,0,1]=4 5182 B10R0.77 C#CC(CC)OCCC(C)C 7a_100000758843_100000210626 [1,1,0,0,0,0|1,0,1]=4 5183 B10R0.77 C=CC(CC)OCCC(C)C 34a_100000766422_100000210312 [1,1,0,0,0,0|1,0,1]=4 5184 B10R0.77 C=CC(CC)OCCC(C)C 7a_100000766422_100000210626 [1,1,0,0,0,0|1,0,1]=4 5185 B10R0.77 C=C[C@@H](CO)NCCC(C)C 2230a_100016989147_100000210312 [1,1,0,0,0,0|1,0,1]=4 5186 B10R0.77 C=C[C@@H](CO)NCCC(C)C 269862a_100016989147_100000185833 [1,1,0,0,0,0|1,0,1]=4 5187 B10R0.77 C=C[C@@H](CO)NCCC(C)C 34a_100016989147_100000210312 [1,1,0,0,0,0|1,0,1]=4 5188 B10R0.77 CC(C)CCNC(CO)CO 2230a_100000759517_100000210312 [1,1,0,0,0,0|1,0,0]=3 5189 B10R0.77 CC(C)CCOC(CCl)CCl 7a_100000737055_100000210626 [1,1,0,0,0,0|2,0,0]=4 5190 B10R0.77 CC(C)CCOC(CF)CF 34a_100000032261_100000210312 [1,1,0,0,0,0|2,0,0]=4 5191 B10R0.77 CC(C)CCOC(CF)CF 7a_100000032261_100000210626 [1,1,0,0,0,0|2,0,0]=4 5192 B10R0.77 CC(C)CCOC(CN)CN 34a_100000031598_100000210312 [1,1,0,0,0,0|2,0,0]=4 5193 B10R0.77 CC(C)CCO[C@@H](CF)CCl 34a_100015614560_100000210312 [1,1,0,0,0,0|2,0,0]=4 5194 B10R0.77 CC(C)CCO[C@@H](CF)CCl 7a_100015614560_100000210626 [1,1,0,0,0,0|2,0,0]=4 5195 B10R0.77 CC(C)OCNC(CO)CO 2230a_100000759517_100000709892 [1,1,0,0,0,0|2,0,0]=4 5196 B10R0.77 CC(O)CCNC(CO)CO 2230a_100000759517_100012276601 [1,1,0,0,0,0|2,0,0]=4 5197 B10R0.77 CCC(CC)CNCC(C)C 2230a_100000210953_100011215472 [1,1,0,0,0,0|1,0,0]=3 5198 B10R0.77 CCC(CC)CNCC(C)C 2230a_100102946423_100000210760 [1,1,0,0,0,0|1,0,0]=3 5199 B10R0.77 CCC(CC)CNCC(C)C 269862a_100000210953_100000211137 [1,1,0,0,0,0|1,0,0]=3 5200 B10R0.77 CCC(CC)CNCC(C)C 270004a_100000210953_100000211137 [1,1,0,0,0,0|1,0,0]=3 5201 B10R0.77 CCC(CC)CNCC(C)C 270004a_100102946423_100000210432 [1,1,0,0,0,0|1,0,0]=3 5202 B10R0.77 CCC(CC)CNCC(C)C 34a_100000210953_100011215472 [1,1,0,0,0,0|1,0,0]=3 5203 B10R0.77 CCC(CC)CNCC(C)O 2230a_100000210904_100011215472 [1,1,0,0,0,0|2,0,0]=4 5204 B10R0.77 CCC(CC)CNCC(C)O 2230a_100102946423_100011218427 [1,1,0,0,0,0|2,0,0]=4 5205 B10R0.77 CCC(CC)CNCC(C)O 269862a_100000210904_100000211137 [1,1,0,0,0,0|2,0,0]=4 5206 B10R0.77 CCC(CC)CNCC(C)O 270004a_100000210904_100000211137 [1,1,0,0,0,0|2,0,0]=4 5207 B10R0.77 CCC(CC)CNCC(C)O 34a_100000210904_100011215472 [1,1,0,0,0,0|2,0,0]=4 5208 B10R0.77 CCC(CC)CNC[C@@H](C)O 2230a_100102946423_100009817552 [1,1,0,0,0,0|2,0,0]=4 5209 B10R0.77 CCC(CC)COCC(C)Br 34a_100012180447_100011215472 [1,1,0,0,0,0|2,0,0]=4 5210 B10R0.77 CCC(CC)COCC(C)C 34a_100000210257_100011215472 [1,1,0,0,0,0|1,0,0]=3 5211 B10R0.77 CCC(CC)COCC(C)C 7a_100000703878_100000210760 [1,1,0,0,0,0|1,0,0]=3 5212 B10R0.77 CCC(CC)COCC(C)F 34a_100015925927_100011215472 [1,1,0,0,0,0|2,0,0]=4 5213 B10R0.77 CCC(CC)COCC(C)O 7a_100000703878_100011218427 [1,1,0,0,0,0|2,0,0]=4 5214 B10R0.77 CCC(CC)COC[C@@H](C)Cl 34a_100016084084_100011215472 [1,1,0,0,0,0|2,0,0]=4 5215 B10R0.77 CCC(CC)COC[C@@H](C)N 34a_100000737577_100011215472 [1,1,0,0,0,0|2,0,0]=4 5216 B10R0.77 CCC(CC)COC[C@@H](C)O 7a_100000703878_100009817552 [1,1,0,0,0,0|2,0,0]=4 5217 B10R0.77 CCC(CC)CSCC(C)C 62a_100000210624_100011215472 [1,1,0,0,0,0|1,0,0]=3 5218 B10R0.77 CCC(CC)CSCC(C)C 62a_100011215472_100000210760 [1,1,0,0,0,0|1,0,0]=3 5219 B10R0.77 CCC(CC)CSCC(C)O 62a_100011215472_100011218427 [1,1,0,0,0,0|2,0,0]=4 5220 B10R0.77 CCC(CC)CSCC(C)O 62a_100011218427_100011215472 [1,1,0,0,0,0|2,0,0]=4 5221 B10R0.77 CCC(CC)CSC[C@@H](C)O 62a_100009817552_100011215472 [1,1,0,0,0,0|2,0,0]=4 5222 B10R0.77 CCC(CC)CSC[C@@H](C)O 62a_100011215472_100009817552 [1,1,0,0,0,0|2,0,0]=4 5223 B10R0.77 CCC(CC)NCCC(C)C 2230a_100000199018_100000210312 [1,1,0,0,0,0|1,0,0]=3 5224 B10R0.77 CCC(CC)NCCC(C)C 269862a_100000199018_100000185833 [1,1,0,0,0,0|1,0,0]=3 5225 B10R0.77 CCC(CC)NCCC(C)C 270004a_100000210545_100000210860 [1,1,0,0,0,0|1,0,0]=3 5226 B10R0.77 CCC(CC)NCCC(C)O 2230a_100000199018_100012276601 [1,1,0,0,0,0|2,0,0]=4 5227 B10R0.77 CCC(CC)NCCC(C)O 270004a_200000755665_100000210860 [1,1,0,0,0,0|2,0,0]=4 5228 B10R0.77 CCC(CC)NCCN(C)C 270004a_100000210585_100000210860 [1,1,0,0,0,0|2,0,0]=4 5229 B10R0.77 CCC(CC)NCOC(C)C 2230a_100000199018_100000709892 [1,1,0,0,0,0|2,0,0]=4 5230 B10R0.77 CCC(CC)OCCC(C)C 7a_100000210254_100000210505 [1,1,0,0,0,0|1,0,0]=3 5231 B10R0.77 CCC(CC)OCCC(C)C 7a_100000688536_100000210626 [1,1,0,0,0,0|1,0,0]=3 5232 B10R0.77 CCC(CC)OCCC(C)O 7a_100000688536_100012276601 [1,1,0,0,0,0|2,0,0]=4 5233 B10R0.77 CCC(CC)OCCN(C)C 7a_100000688536_100000755713 [1,1,0,0,0,0|2,0,0]=4 5234 B10R0.77 CCC(CC)SCCC(C)C 62a_100000210312_100000210505 [1,1,0,0,0,0|1,0,0]=3 5235 B10R0.77 CCC(CC)SCCC(C)C 62a_100000210505_100000210312 [1,1,0,0,0,0|1,0,0]=3 5236 B10R0.77 CCC(CC)SCCC(C)O 62a_100000210505_100012276601 [1,1,0,0,0,0|2,0,0]=4 5237 B10R0.77 CCC(CC)SCCC(C)O 62a_100012276601_100000210505 [1,1,0,0,0,0|2,0,0]=4 5238 B10R0.77 CCC(CC)SCCN(C)C 62a_100000210505_100000755713 [1,1,0,0,0,0|2,0,0]=4 5239 B10R0.77 CCC(CC)SCOC(C)C 62a_100000210505_100000709892 [1,1,0,0,0,0|2,0,0]=4 5240 B10R0.77 CCC(CC)SCOC(C)C 62a_100000709892_100000210505 [1,1,0,0,0,0|2,0,0]=4 5241 B10R0.77 CCC(CNCC(C)C)OC 270004a_100000731041_100000210432 [1,1,0,0,0,0|1,0,0]=3 5242 B10R0.77 CCC(COCC(C)C)OC 34a_100011934954_100000210624 [1,1,0,0,0,0|1,0,0]=3 5243 B10R0.77 CCC(COCC(C)C)OC 7a_100011934954_100000210760 [1,1,0,0,0,0|1,0,0]=3 5244 B10R0.77 CCC(COCC(C)O)OC 34a_100011934954_100011218427 [1,1,0,0,0,0|2,0,0]=4 5245 B10R0.77 CCC(COCC(C)O)OC 7a_100011934954_100011218427 [1,1,0,0,0,0|2,0,0]=4 5246 B10R0.77 CCC(COC[C@@H](C)O)OC 34a_100011934954_100009817552 [1,1,0,0,0,0|2,0,0]=4 5247 B10R0.77 CCC(COC[C@@H](C)O)OC 7a_100011934954_100009817552 [1,1,0,0,0,0|2,0,0]=4 5248 B10R0.77 CCN(CC)CCCC(C)C 2230a_100000724800_100011214892 [1,1,0,0,0,0|1,0,0]=3 5249 B10R0.77 CCN(CC)CCCC(C)C 269956a_100000042499_100011214892 [1,1,0,0,0,0|1,0,0]=3 5250 B10R0.77 CCN(CC)CCCC(C)C 269982a_100000724800_100011214892 [1,1,0,0,0,0|1,0,0]=3 5251 B10R0.77 CCN(CC)CCCC(C)O 2230a_100000724800_200000718107 [1,1,0,0,0,0|2,0,0]=4 5252 B10R0.77 CCN(CC)CCCC(C)O 269956a_100000042499_200000718107 [1,1,0,0,0,0|2,0,0]=4 5253 B10R0.77 CCN(CC)CCCC(C)O 269982a_100000724800_200000718107 [1,1,0,0,0,0|2,0,0]=4 5254 B10R0.77 CCN(CC)CCCN(C)C 2230a_100102631434_100000709985 [1,1,0,0,0,0|2,0,0]=4 5255 B10R0.77 CCN(CC)CCCN(C)C 269956a_100000042499_100000757444 [1,1,0,0,0,0|2,0,0]=4 5256 B10R0.77 CCN(CC)CCCN(C)C 269982a_100000225837_100000204670 [1,1,0,0,0,0|2,0,0]=4 5257 B10R0.77 CCN(CC)CCCN(C)C 269982a_100000724800_100000757444 [1,1,0,0,0,0|2,0,0]=4 5258 B10R0.77 CCN(CC)CCCN(C)C 269982a_100102631434_100000709985 [1,1,0,0,0,0|2,0,0]=4 5259 B10R0.77 CCN(CC)CCNC(C)C 2230a_100015382049_100000210206 [1,1,0,0,0,0|2,0,0]=4 5260 B10R0.77 CCN(CC)CCNC(C)C 2230a_100138425928_100000700428 [1,1,0,0,0,0|2,0,0]=4 5261 B10R0.77 CCN(CC)CCOC(C)C 2230a_100000724800_100000211751 [1,1,0,0,0,0|2,0,0]=4 5262 B10R0.77 CCN(CC)CCOC(C)C 269956a_100000042499_100000211751 [1,1,0,0,0,0|2,0,0]=4 5263 B10R0.77 CCN(CC)CCOC(C)C 269982a_100000724800_100000211751 [1,1,0,0,0,0|2,0,0]=4 5264 B10R0.77 CCN(CC)CCOC(C)C 7a_100016990331_100000210206 [1,1,0,0,0,0|2,0,0]=4 5265 B10R0.77 CCN(CC)CCSC(C)C 2230a_100000724800_100000730970 [1,1,0,0,0,0|2,0,0]=4 5266 B10R0.77 CCN(CC)CCSC(C)C 269956a_100000042499_100000730970 [1,1,0,0,0,0|2,0,0]=4 5267 B10R0.77 CCN(CC)CCSC(C)C 269982a_100000724800_100000730970 [1,1,0,0,0,0|2,0,0]=4 5268 B10R0.77 CCN(CC)CCSC(C)C 62a_100000210206_100000700428 [1,1,0,0,0,0|2,0,0]=4 5269 B10R0.77 CCN(CC)COCC(C)C 7a_200015374951_100000210760 [1,1,0,0,0,0|2,0,0]=4 5270 B10R0.77 CCN(CF)CCCN(C)C 269982a_100000225837_100015361967 [1,1,0,0,0,0|2,0,0]=4 5271 B10R0.77 CC[C@@H](CO)NCCC(C)C 2230a_100000709445_100000210312 [1,1,0,0,0,0|1,0,0]=3 5272 B10R0.77 CC[C@@H](CO)NCCC(C)C 269862a_100000709445_100000185833 [1,1,0,0,0,0|1,0,0]=3 5273 B10R0.77 CC[C@@H](CO)NCCC(C)O 2230a_100000709445_100012276601 [1,1,0,0,0,0|2,0,0]=4 5274 B10R0.77 CC[C@@H](CO)NCOC(C)C 2230a_100000709445_100000709892 [1,1,0,0,0,0|2,0,0]=4 5275 B10R0.77 COC(CCCN(C)C)OC 2230a_100102631434_100000069011 [1,1,0,0,0,0|2,0,0]=4 5276 B10R0.77 COC(CCCN(C)C)OC 269982a_100102631434_100000069011 [1,1,0,0,0,0|2,0,0]=4 5277 B10R0.77 COC(CCNC(C)C)OC 2230a_100138425928_100009813347 [1,1,0,0,0,0|2,0,0]=4 5278 B10R0.77 COC(CCNC(C)C)OC 34a_100138425928_100000139399 [1,1,0,0,0,0|2,0,0]=4 5279 B10R0.77 COC(CCOC(C)C)OC 34a_100000212225_100000139399 [1,1,0,0,0,0|2,0,0]=4 5280 B10R0.77 COC(CCSC(C)C)OC 62a_100000139399_100000210206 [1,1,0,0,0,0|2,0,0]=4 5281 B10R0.77 COC(CCSC(C)C)OC 62a_100000210206_100000139399 [1,1,0,0,0,0|2,0,0]=4 5282 B10R0.77 COC(CNCC(C)C)OC 2230a_100000210953_100000751394 [1,1,0,0,0,0|2,0,0]=4 5283 B10R0.77 COC(CNCC(C)C)OC 270004a_100000210479_100000210432 [1,1,0,0,0,0|2,0,0]=4 5284 B10R0.77 COC(CNCC(C)C)OC 270004a_100000210953_100000752162 [1,1,0,0,0,0|2,0,0]=4 5285 B10R0.77 COC(CNCC(C)C)OC 34a_100000210953_100000211822 [1,1,0,0,0,0|2,0,0]=4 5286 B10R0.77 COC(COCC(C)C)OC 34a_100000210257_100000211822 [1,1,0,0,0,0|2,0,0]=4 5287 B10R0.77 COC(COCC(C)C)OC 34a_100011216393_100000210624 [1,1,0,0,0,0|2,0,0]=4 5288 B10R0.77 COC(CSCC(C)C)OC 62a_100000210624_100000751394 [1,1,0,0,0,0|2,0,0]=4 5289 B10R0.77 COC(CSCC(C)C)OC 62a_100000751394_100000210760 [1,1,0,0,0,0|2,0,0]=4 5290 B10R0.82 CC(C)C(=O)CN[C@H](C)CO 2230a_100000737577_100000753385 [1,1,0,0,0,0|1,0,1]=4 5291 B10R0.82 CC(C)C(=O)CS[C@H](C)CO 62a_100000753385_100016084084 [1,1,0,0,0,0|1,0,1]=4 5292 B10R0.82 CC(C)C(=O)CS[C@H](C)CO 62a_100016084084_100000753385 [1,1,0,0,0,0|1,0,1]=4 5293 B10R0.82 CC(C)C(C)NCC(O)CO 2230a_100000211541_100011219619 [1,1,0,0,0,0|2,0,0]=4 5294 B10R0.82 CC(C)C(C)NC[C@@H](C)CO 2230a_100000211541_100000059175 [1,1,0,0,0,0|1,0,0]=3 5295 B10R0.82 CC(C)C(C)NC[C@@H](O)CO 2230a_100000211541_100009815848 [1,1,0,0,0,0|2,0,0]=4 5296 B10R0.82 CC(C)C(C)OCC(O)CO 7a_100000748068_100011219619 [1,1,0,0,0,0|2,0,0]=4 5297 B10R0.82 CC(C)C(C)OC[C@@H](C)CO 7a_100000748068_100000059175 [1,1,0,0,0,0|1,0,0]=3 5298 B10R0.82 CC(C)C(C)OC[C@@H](O)CO 7a_100000748068_100009815848 [1,1,0,0,0,0|2,0,0]=4 5299 B10R0.82 CC(CO)CNC(=O)C(C)C 240690a_100000744482_100000210198 [1,1,0,0,0,0|1,0,1]=4 5300 B10R0.82 CC(CO)CNC(=O)C(C)C 527a_100000744482_100000210198 [1,1,0,0,0,0|1,0,1]=4 5301 B10R0.82 CC(CO)NCC(O)C(C)C 2230a_100000759067_100012180447 [1,1,0,0,0,0|1,0,0]=3 5302 B10R0.82 CC(CO)NCC(O)C(C)C 34a_100000759067_100012180447 [1,1,0,0,0,0|1,0,0]=3 5303 B10R0.82 CC(CO)OC[C@H](N)C(C)C 34a_100011830312_100012180447 [1,1,0,0,0,0|1,0,0]=3 5304 B10R0.82 CC(CO)SCC(=O)C(C)C 62a_100012180447_100000753385 [1,1,0,0,0,0|1,0,1]=4 5305 B10R0.82 CCC(C)CCC(=O)C(C)C 1458a_100000701222_100000210206 [1,1,0,0,0,0|0,0,1]=3 5306 B10R0.82 CCC(C)CCC(=O)N(C)C 11a_100102631434_100000701222 [1,1,0,0,0,0|1,0,1]=4 5307 B10R0.82 CCC(C)CCC(=O)N(C)C 1626a_100102631434_100000701222 [1,1,0,0,0,0|1,0,1]=4 5308 B10R0.82 CCC(C)CCC(=O)N(C)C 240690a_100102631434_100000701222 [1,1,0,0,0,0|1,0,1]=4 5309 B10R0.82 CCC(C)CCC(=O)N(C)C 527a_100102631434_100000701222 [1,1,0,0,0,0|1,0,1]=4 5310 B10R0.82 CCC(C)CNC(=O)C(C)C 11a_100020588543_100000210198 [1,1,0,0,0,0|1,0,1]=4 5311 B10R0.82 CCC(C)CNC(=O)C(C)C 1626a_100020588543_100000210198 [1,1,0,0,0,0|1,0,1]=4 5312 B10R0.82 CCC(C)CNC(=O)C(C)C 240690a_100020588543_100000210198 [1,1,0,0,0,0|1,0,1]=4 5313 B10R0.82 CCC(C)CNC(=O)C(C)C 527a_100020588543_100000210198 [1,1,0,0,0,0|1,0,1]=4 5314 B10R0.82 CCC(C)CNC(C)C(C)C 2230a_100000211541_100000748023 [1,1,0,0,0,0|1,0,0]=3 5315 B10R0.82 CCC(C)CNC(C)C(C)C 270004a_100000211541_100000243153 [1,1,0,0,0,0|1,0,0]=3 5316 B10R0.82 CCC(C)COC(C)C(C)C 7a_100000748068_100000748023 [1,1,0,0,0,0|1,0,0]=3 5317 B10R0.82 CCC(C)NCC(=O)C(C)C 2230a_100000209981_100000753385 [1,1,0,0,0,0|1,0,1]=4 5318 B10R0.82 CCC(C)NCC(O)C(C)C 2230a_100000759067_100000758301 [1,1,0,0,0,0|1,0,0]=3 5319 B10R0.82 CCC(C)NCC(O)C(C)C 34a_100000759067_100011215416 [1,1,0,0,0,0|1,0,0]=3 5320 B10R0.82 CCC(C)OCC(=O)C(C)C 7a_100000210228_100000753385 [1,1,0,0,0,0|1,0,1]=4 5321 B10R0.82 CCC(C)OC[C@H](N)C(C)C 34a_100011830312_100011215416 [1,1,0,0,0,0|1,0,0]=3 5322 B10R0.82 CCC(C)SCC(=O)C(C)C 62a_100000753385_100000758301 [1,1,0,0,0,0|1,0,1]=4 5323 B10R0.82 CCC(C)SCC(=O)C(C)C 62a_100000758301_100000753385 [1,1,0,0,0,0|1,0,1]=4 5324 B10R0.82 CCC(O)CNC(C)C(C)C 2230a_100000211541_100011218378 [1,1,0,0,0,0|2,0,0]=4 5325 B10R0.82 CCC(O)COC(C)C(C)C 7a_100000748068_100011218378 [1,1,0,0,0,0|2,0,0]=4 5326 B10R0.82 CCN(C)CCC(=O)C(C)C 1458a_100000755305_100000210206 [1,1,0,0,0,0|1,0,1]=4 5327 B10R0.82 CC[C@H](C)CNC(C)C(C)C 2230a_100000211541_100009816398 [1,1,0,0,0,0|1,0,0]=3 5328 B10R0.82 CC[C@H](C)COC(C)C(C)C 7a_100000748068_100009816398 [1,1,0,0,0,0|1,0,0]=3 5329 B10R0.98 C=C(C)C(C)NCCC(C)C 269862a_100000210545_100011216138 [1,1,0,0,0,0|1,0,1]=4 5330 B10R0.98 CC(=O)C(C)COCC(C)C 34a_100000032740_100000210624 [1,1,0,0,0,0|1,0,1]=4 5331 B10R0.98 CC(=O)C(C)COCC(C)C 7a_100000032740_100000210760 [1,1,0,0,0,0|1,0,1]=4 5332 B10R0.98 CC(=O)C(C)OCCC(C)C 34a_100000212229_100000210312 [1,1,0,0,0,0|1,0,1]=4 5333 B10R0.98 CC(=O)C(C)OCCC(C)C 7a_100000210254_100000179758 [1,1,0,0,0,0|1,0,1]=4 5334 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100000210312_100009814033 [1,1,0,0,0,0|1,0,1]=4 5335 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100009814033_100000210312 [1,1,0,0,0,0|1,0,1]=4 5336 B10R0.98 CC(C)C(C)OCCN(C)C 7a_100000748068_100000755713 [1,1,0,0,0,0|2,0,0]=4 5337 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100000210198_100011214892 [1,1,0,0,0,0|1,0,1]=4 5338 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100011216857_100000210206 [1,1,0,0,0,0|1,0,1]=4 5339 B10R0.98 CC(C)CCCC(=O)C(C)F 1458a_100000062450_100011214892 [1,1,0,0,0,0|1,0,1]=4 5340 B10R0.98 CC(C)CCCC(=O)C(O)O 1458a_100000233687_100011214892 [1,1,0,0,0,0|1,0,1]=4 5341 B10R0.98 CC(C)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011214892 [1,1,0,0,0,0|1,0,1]=4 5342 B10R0.98 CC(C)CCCC(=O)[C@H](C)O 1458a_217856618621_100011214892 [1,1,0,0,0,0|1,0,1]=4 5343 B10R0.98 CC(C)CCCC(C)N(C)C 270004a_100102631434_100000753411 [1,1,0,0,0,0|1,0,0]=3 5344 B10R0.98 CC(C)CCCN(C)C(C)C 269982a_200000211004_100011214892 [1,1,0,0,0,0|1,0,0]=3 5345 B10R0.98 CC(C)CCNC(C)C(C)C 2230a_100000211541_100000210312 [1,1,0,0,0,0|1,0,0]=3 5346 B10R0.98 CC(C)CCNC(C)C(C)C 269862a_100000211541_100000185833 [1,1,0,0,0,0|1,0,0]=3 5347 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [1,1,0,0,0,0|1,0,1]=4 5348 B10R0.98 CC(C)CCOC(C)C(C)C 7a_100000748068_100000210626 [1,1,0,0,0,0|1,0,0]=3 5349 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [1,1,0,0,0,0|1,0,1]=4 5350 B10R0.98 CC(C)CNCC(O)C(C)C 2230a_100000759067_100000210760 [1,1,0,0,0,0|2,0,0]=4 5351 B10R0.98 CC(C)CNCC(O)C(C)C 270004a_100000759067_100000210432 [1,1,0,0,0,0|2,0,0]=4 5352 B10R0.98 CC(C)CNCC(O)C(C)C 34a_100000759067_100000210624 [1,1,0,0,0,0|2,0,0]=4 5353 B10R0.98 CC(C)COC[C@H](N)C(C)C 34a_100011830312_100000210624 [1,1,0,0,0,0|2,0,0]=4 5354 B10R0.98 CC(C)N(C)CCCN(C)C 269982a_100000225831_100000210206 [1,1,0,0,0,0|2,0,0]=4 5355 B10R0.98 CC(C)N(C)CCCN(C)C 269982a_200000211004_100000757444 [1,1,0,0,0,0|2,0,0]=4 5356 B10R0.98 CC(C)OCCC(C)N(C)C 270004a_100102631434_200011219172 [1,1,0,0,0,0|2,0,0]=4 5357 B10R0.98 CC(C)OCCC(N)C(C)C 34a_100161115045_100000210206 [1,1,0,0,0,0|2,0,0]=4 5358 B10R0.98 CC(C)OCCN(C)C(C)C 269982a_200000211004_100000211751 [1,1,0,0,0,0|2,0,0]=4 5359 B10R0.98 CC(C)OCNC(C)C(C)C 2230a_100000211541_100000709892 [1,1,0,0,0,0|2,0,0]=4 5360 B10R0.98 CC(C)SCCN(C)C(C)C 269982a_200000211004_100000730970 [1,1,0,0,0,0|2,0,0]=4 5361 B10R0.98 CC(O)CCCN(C)C(C)C 269982a_200000211004_200000718107 [1,1,0,0,0,0|2,0,0]=4 5362 B10R0.98 CC(O)CCNC(C)C(C)C 2230a_100000211541_100012276601 [1,1,0,0,0,0|2,0,0]=4 5363 B10R0.98 CC(O)CCOC(C)C(C)C 7a_100000748068_100012276601 [1,1,0,0,0,0|2,0,0]=4 5364 B10R0.4 C#CCCCCCCN(C)C 2230a_100102631434_100012276617 [1,1,0,0,0,0|2,0,0]=4 5365 B10R0.4 C#CCCCCCCN(C)C 269982a_100102631434_100012276617 [1,1,0,0,0,0|2,0,0]=4 5366 B10R0.4 C#CCCCCCNC(C)C 2230a_100138425928_100012094781 [1,1,0,0,0,0|1,0,1]=4 5367 B10R0.4 C#CCCCCCNC(C)C 34a_100138425928_100012094781 [1,1,0,0,0,0|1,0,1]=4 5368 B10R0.4 C#CCCCCCOC(C)C 34a_100000212225_100012094781 [1,1,0,0,0,0|1,0,1]=4 5369 B10R0.4 C#CCCCCCOC(C)C 34a_100000766912_100000210206 [1,1,0,0,0,0|1,0,1]=4 5370 B10R0.4 C#CCCCCCOC(C)C 7a_100000766912_100000210206 [1,1,0,0,0,0|1,0,1]=4 5371 B10R0.4 C#CCCCCCSC(C)C 62a_100000210206_100012094781 [1,1,0,0,0,0|1,0,1]=4 5372 B10R0.4 C#CCCCCCSC(C)C 62a_100012094781_100000210206 [1,1,0,0,0,0|1,0,1]=4 5373 B10R0.4 C#CCCCCNCC(C)C 2230a_100000210953_100010269958 [1,1,0,0,0,0|1,0,1]=4 5374 B10R0.4 C#CCCCCNCC(C)C 2230a_100000706060_100000210760 [1,1,0,0,0,0|1,0,1]=4 5375 B10R0.4 C#CCCCCNCC(C)C 34a_100000210953_100010269958 [1,1,0,0,0,0|1,0,1]=4 5376 B10R0.4 C#CCCCCNCC(C)C 34a_100000706060_100000210624 [1,1,0,0,0,0|1,0,1]=4 5377 B10R0.4 C#CCCCCOCC(C)C 34a_100000210257_100010269958 [1,1,0,0,0,0|1,0,1]=4 5378 B10R0.4 C#CCCCCOCC(C)C 34a_100000766709_100000210624 [1,1,0,0,0,0|1,0,1]=4 5379 B10R0.4 C#CCCCCOCC(C)C 7a_100000766709_100000210760 [1,1,0,0,0,0|1,0,1]=4 5380 B10R0.4 C#CCCCCSCC(C)C 62a_100000210624_100010269958 [1,1,0,0,0,0|1,0,1]=4 5381 B10R0.4 C#CCCCCSCC(C)C 62a_100010269958_100000210760 [1,1,0,0,0,0|1,0,1]=4 5382 B10R0.4 C#CCCCNCCC(C)C 34a_100000718082_100000210312 [1,1,0,0,0,0|1,0,1]=4 5383 B10R0.4 C#CCCCOCCC(C)C 34a_100000210254_100000695029 [1,1,0,0,0,0|1,0,1]=4 5384 B10R0.4 C#CCCCOCCC(C)C 34a_100000215630_100000210312 [1,1,0,0,0,0|1,0,1]=4 5385 B10R0.4 C#CCCCOCCC(C)C 7a_100000210254_100011215417 [1,1,0,0,0,0|1,0,1]=4 5386 B10R0.4 C#CCCCOCCC(C)C 7a_100000215630_100000210626 [1,1,0,0,0,0|1,0,1]=4 5387 B10R0.4 C#CCCCSCCC(C)C 62a_100000210312_100011215417 [1,1,0,0,0,0|1,0,1]=4 5388 B10R0.4 C#CCCCSCCC(C)C 62a_100011215417_100000210312 [1,1,0,0,0,0|1,0,1]=4 5389 B10R0.4 C#CCCNCCCC(C)C 2230a_200000737386_100000688953 [1,1,0,0,0,0|1,0,1]=4 5390 B10R0.4 C#CCCNCCCC(C)C 34a_100000755551_100011214892 [1,1,0,0,0,0|1,0,1]=4 5391 B10R0.4 C#CCCNCCCC(C)C 34a_200000737386_100000688953 [1,1,0,0,0,0|1,0,1]=4 5392 B10R0.4 C#CCCOCCCC(C)C 34a_100000210774_100000688953 [1,1,0,0,0,0|1,0,1]=4 5393 B10R0.4 C#CCCOCCCC(C)C 34a_100011215631_100011214892 [1,1,0,0,0,0|1,0,1]=4 5394 B10R0.4 C#CCCOCCCC(C)C 7a_100000210774_100000688953 [1,1,0,0,0,0|1,0,1]=4 5395 B10R0.4 C#CCCSCCCC(C)C 62a_100000688953_100011214892 [1,1,0,0,0,0|1,0,1]=4 5396 B10R0.4 C#CCCSCCCC(C)C 62a_100011214892_100000688953 [1,1,0,0,0,0|1,0,1]=4 5397 B10R0.4 C#CCNCCCCC(C)C 34a_100000212058_100011216152 [1,1,0,0,0,0|1,0,1]=4 5398 B10R0.4 C#CCOCCCCC(C)C 34a_100000210247_100011216152 [1,1,0,0,0,0|1,0,1]=4 5399 B10R0.4 C#CCOCCCCC(C)C 34a_100011214890_100000184674 [1,1,0,0,0,0|1,0,1]=4 5400 B10R0.4 C#CCOCCCCC(C)C 7a_100011214890_100000038162 [1,1,0,0,0,0|1,0,1]=4 5401 B10R0.4 C#CCSCCCCC(C)C 62a_100000038162_100011216152 [1,1,0,0,0,0|1,0,1]=4 5402 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [1,1,0,0,0,0|0,0,2]=4 5403 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [1,1,0,0,0,0|0,0,2]=4 5404 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [1,1,0,0,0,0|0,0,2]=4 5405 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [1,1,0,0,0,0|0,0,2]=4 5406 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [1,1,0,0,0,0|0,0,2]=4 5407 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [1,1,0,0,0,0|0,0,2]=4 5408 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [1,1,0,0,0,0|0,0,2]=4 5409 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [1,1,0,0,0,0|0,0,2]=4 5410 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [1,1,0,0,0,0|0,0,2]=4 5411 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [1,1,0,0,0,0|0,0,2]=4 5412 B10R0.4 C=CCCCCCCN(C)C 2230a_100102631434_100011215473 [1,1,0,0,0,0|2,0,0]=4 5413 B10R0.4 C=CCCCCCCN(C)C 269982a_100102631434_100011215473 [1,1,0,0,0,0|2,0,0]=4 5414 B10R0.4 C=CCCCCCNC(C)C 2230a_100138425928_100000700193 [1,1,0,0,0,0|1,0,1]=4 5415 B10R0.4 C=CCCCCCNC(C)C 34a_100138425928_100000700193 [1,1,0,0,0,0|1,0,1]=4 5416 B10R0.4 C=CCCCCCOC(C)C 34a_100000212225_100000700193 [1,1,0,0,0,0|1,0,1]=4 5417 B10R0.4 C=CCCCCCOC(C)C 34a_100011216702_100000210206 [1,1,0,0,0,0|1,0,1]=4 5418 B10R0.4 C=CCCCCCOC(C)C 7a_100011216702_100000210206 [1,1,0,0,0,0|1,0,1]=4 5419 B10R0.4 C=CCCCCCSC(C)C 62a_100000210206_100000700193 [1,1,0,0,0,0|1,0,1]=4 5420 B10R0.4 C=CCCCCCSC(C)C 62a_100000700193_100000210206 [1,1,0,0,0,0|1,0,1]=4 5421 B10R0.4 C=CCCCCNCC(C)C 2230a_100000210953_100011215482 [1,1,0,0,0,0|1,0,1]=4 5422 B10R0.4 C=CCCCCNCC(C)C 2230a_100000703577_100000210760 [1,1,0,0,0,0|1,0,1]=4 5423 B10R0.4 C=CCCCCNCC(C)C 270004a_100000703577_100000210432 [1,1,0,0,0,0|1,0,1]=4 5424 B10R0.4 C=CCCCCNCC(C)C 34a_100000210953_100011215482 [1,1,0,0,0,0|1,0,1]=4 5425 B10R0.4 C=CCCCCNCC(C)C 34a_100000703577_100000210624 [1,1,0,0,0,0|1,0,1]=4 5426 B10R0.4 C=CCCCCOCC(C)C 34a_100000210257_100011215482 [1,1,0,0,0,0|1,0,1]=4 5427 B10R0.4 C=CCCCCOCC(C)C 34a_100000766645_100000210624 [1,1,0,0,0,0|1,0,1]=4 5428 B10R0.4 C=CCCCCOCC(C)C 7a_100000766645_100000210760 [1,1,0,0,0,0|1,0,1]=4 5429 B10R0.4 C=CCCCCSCC(C)C 62a_100000210624_100011215482 [1,1,0,0,0,0|1,0,1]=4 5430 B10R0.4 C=CCCCCSCC(C)C 62a_100011215482_100000210760 [1,1,0,0,0,0|1,0,1]=4 5431 B10R0.4 C=CCCCNCCC(C)C 2230a_100000700776_100000210312 [1,1,0,0,0,0|1,0,1]=4 5432 B10R0.4 C=CCCCNCCC(C)C 269862a_100000700776_100000185833 [1,1,0,0,0,0|1,0,1]=4 5433 B10R0.4 C=CCCCNCCC(C)C 34a_100000700776_100000210312 [1,1,0,0,0,0|1,0,1]=4 5434 B10R0.4 C=CCCCOCCC(C)C 34a_100000210254_100000757094 [1,1,0,0,0,0|1,0,1]=4 5435 B10R0.4 C=CCCCOCCC(C)C 34a_100000758997_100000210312 [1,1,0,0,0,0|1,0,1]=4 5436 B10R0.4 C=CCCCOCCC(C)C 7a_100000210254_100000757094 [1,1,0,0,0,0|1,0,1]=4 5437 B10R0.4 C=CCCCOCCC(C)C 7a_100000758997_100000210626 [1,1,0,0,0,0|1,0,1]=4 5438 B10R0.4 C=CCCCSCCC(C)C 62a_100000210312_100000757094 [1,1,0,0,0,0|1,0,1]=4 5439 B10R0.4 C=CCCCSCCC(C)C 62a_100011713584_100000210312 [1,1,0,0,0,0|1,0,1]=4 5440 B10R0.4 C=CCCNCCCC(C)C 2230a_100015191253_100011214892 [1,1,0,0,0,0|1,0,1]=4 5441 B10R0.4 C=CCCNCCCC(C)C 2230a_200000737386_100000754431 [1,1,0,0,0,0|1,0,1]=4 5442 B10R0.4 C=CCCNCCCC(C)C 34a_200000737386_100000754431 [1,1,0,0,0,0|1,0,1]=4 5443 B10R0.4 C=CCCOCCCC(C)C 34a_100000210774_100000754431 [1,1,0,0,0,0|1,0,1]=4 5444 B10R0.4 C=CCCOCCCC(C)C 34a_100011205117_100011214892 [1,1,0,0,0,0|1,0,1]=4 5445 B10R0.4 C=CCCOCCCC(C)C 7a_100000210774_100000754431 [1,1,0,0,0,0|1,0,1]=4 5446 B10R0.4 C=CCCSCCCC(C)C 62a_100000754431_100011214892 [1,1,0,0,0,0|1,0,1]=4 5447 B10R0.4 C=CCCSCCCC(C)C 62a_100011214892_100000754431 [1,1,0,0,0,0|1,0,1]=4 5448 B10R0.4 C=CCNCCCCC(C)C 2230a_100020586998_100011216152 [1,1,0,0,0,0|1,0,1]=4 5449 B10R0.4 C=CCOCCCCC(C)C 34a_100011214890_100015514636 [1,1,0,0,0,0|1,0,1]=4 5450 B10R0.4 C=CCOCCCCC(C)C 34a_200000210373_100011216152 [1,1,0,0,0,0|1,0,1]=4 5451 B10R0.4 C=CCOCCCCC(C)C 7a_100011214890_100015514636 [1,1,0,0,0,0|1,0,1]=4 5452 B10R0.4 C=CCSCCCCC(C)C 62a_100000210623_100011216152 [1,1,0,0,0,0|1,0,1]=4 5453 B10R0.4 C=CCSCCCCC(C)C 62a_100011216152_100000210623 [1,1,0,0,0,0|1,0,1]=4 5454 B10R0.4 CC(=CCCSCCCO)C 62a_100011215043_100011217483 [1,1,0,0,0,0|0,0,2]=4 5455 B10R0.4 CC(=CCCSCCCO)C 62a_100011217483_100011215043 [1,1,0,0,0,0|0,0,2]=4 5456 B10R0.4 CC(=CCNCCCCO)C 2230a_100000750430_100000761012 [1,1,0,0,0,0|0,0,2]=4 5457 B10R0.4 CC(=CCNCCCCO)C 34a_100000718196_100011216708 [1,1,0,0,0,0|0,0,2]=4 5458 B10R0.4 CC(=CCNCCCCO)C 34a_100000750430_100000761012 [1,1,0,0,0,0|0,0,2]=4 5459 B10R0.4 CC(=CCOCCCCO)C 34a_100000753907_100011216708 [1,1,0,0,0,0|0,0,2]=4 5460 B10R0.4 CC(=CCSCCCCO)C 62a_100000210776_100000761012 [1,1,0,0,0,0|0,0,2]=4 5461 B10R0.4 CC(=CCSCCCCO)C 62a_100000761012_100000210776 [1,1,0,0,0,0|0,0,2]=4 5462 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,1,0,0,0,0|1,0,1]=4 5463 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,1,0,0,0,0|1,0,1]=4 5464 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [1,1,0,0,0,0|1,0,1]=4 5465 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [1,1,0,0,0,0|1,0,1]=4 5466 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [1,1,0,0,0,0|1,0,1]=4 5467 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [1,1,0,0,0,0|1,0,1]=4 5468 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [1,1,0,0,0,0|1,0,1]=4 5469 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [1,1,0,0,0,0|1,0,1]=4 5470 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [1,1,0,0,0,0|1,0,1]=4 5471 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [1,1,0,0,0,0|1,0,1]=4 5472 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [1,1,0,0,0,0|1,0,1]=4 5473 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [1,1,0,0,0,0|1,0,1]=4 5474 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [1,1,0,0,0,0|1,0,1]=4 5475 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [1,1,0,0,0,0|1,0,1]=4 5476 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [1,1,0,0,0,0|1,0,1]=4 5477 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [1,1,0,0,0,0|1,0,1]=4 5478 B10R0.4 CC(Br)CCOCCCCF 34a_100009893172_100000729493 [1,1,0,0,0,0|2,0,0]=4 5479 B10R0.4 CC(Br)CCOCCCCO 34a_100009893172_100011216708 [1,1,0,0,0,0|1,0,0]=3 5480 B10R0.4 CC(Br)COCCCCCF 34a_100012180447_100000729378 [1,1,0,0,0,0|2,0,0]=4 5481 B10R0.4 CC(Br)COCCCCCO 34a_100012180447_100000746330 [1,1,0,0,0,0|1,0,0]=3 5482 B10R0.4 CC(Br)COCCOCCO 34a_100012180447_100000692535 [1,1,0,0,0,0|2,0,0]=4 5483 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [1,1,0,0,0,0|1,0,0]=3 5484 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [1,1,0,0,0,0|1,0,0]=3 5485 B10R0.4 CC(C)CCCCCNCF 34a_100011290863_100015361967 [1,1,0,0,0,0|1,0,0]=3 5486 B10R0.4 CC(C)CCCCCOCF 34a_100011995859_100015361967 [1,1,0,0,0,0|1,0,0]=3 5487 B10R0.4 CC(C)CCCCCOCF 7a_100011995859_100015361967 [1,1,0,0,0,0|1,0,0]=3 5488 B10R0.4 CC(C)CCCCCSCF 62a_100000210682_100015361967 [1,1,0,0,0,0|1,0,0]=3 5489 B10R0.4 CC(C)CCCCCSCF 62a_100015361967_100000210682 [1,1,0,0,0,0|1,0,0]=3 5490 B10R0.4 CC(C)CCCCNCCF 34a_100000724931_100011216152 [1,1,0,0,0,0|1,0,0]=3 5491 B10R0.4 CC(C)CCCCNCCO 2230a_100016997473_100011216152 [1,1,0,0,0,0|0,0,0]=2 5492 B10R0.4 CC(C)CCCCNCCO 34a_100016990907_100011216152 [1,1,0,0,0,0|0,0,0]=2 5493 B10R0.4 CC(C)CCCCOCC#N 7a_100011214890_100011215382 [1,1,0,0,0,0|1,0,1]=4 5494 B10R0.4 CC(C)CCCCOCC=O 34a_100011214890_200009817547 [1,1,0,0,0,0|0,0,2]=4 5495 B10R0.4 CC(C)CCCCOCC=O 7a_100011214890_200015260668 [1,1,0,0,0,0|0,0,2]=4 5496 B10R0.4 CC(C)CCCCOCCBr 34a_100000211926_100011216152 [1,1,0,0,0,0|1,0,0]=3 5497 B10R0.4 CC(C)CCCCOCCF 34a_100011214890_100011217306 [1,1,0,0,0,0|1,0,0]=3 5498 B10R0.4 CC(C)CCCCOCCF 7a_100011214890_100011217306 [1,1,0,0,0,0|1,0,0]=3 5499 B10R0.4 CC(C)CCCCOCCN 34a_100000210304_100011216152 [1,1,0,0,0,0|1,0,0]=3 5500 B10R0.4 CC(C)CCCCOCCO 34a_100011214890_100000211926 [1,1,0,0,0,0|0,0,0]=2 5501 B10R0.4 CC(C)CCCCOCCO 7a_100011214890_100000211926 [1,1,0,0,0,0|0,0,0]=2 5502 B10R0.4 CC(C)CCCCSCC#N 62a_100011215382_100011216152 [1,1,0,0,0,0|1,0,1]=4 5503 B10R0.4 CC(C)CCCCSCC#N 62a_100011216152_100011215382 [1,1,0,0,0,0|1,0,1]=4 5504 B10R0.4 CC(C)CCCCSCC=O 62a_100011216152_200015260668 [1,1,0,0,0,0|0,0,2]=4 5505 B10R0.4 CC(C)CCCCSCC=O 62a_200015260668_100011216152 [1,1,0,0,0,0|0,0,2]=4 5506 B10R0.4 CC(C)CCCCSCCF 62a_100011216152_100011217306 [1,1,0,0,0,0|1,0,0]=3 5507 B10R0.4 CC(C)CCCCSCCF 62a_100011217306_100011216152 [1,1,0,0,0,0|1,0,0]=3 5508 B10R0.4 CC(C)CCCCSCCO 62a_100000211926_100011216152 [1,1,0,0,0,0|0,0,0]=2 5509 B10R0.4 CC(C)CCCCSCCO 62a_100011216152_100000211926 [1,1,0,0,0,0|0,0,0]=2 5510 B10R0.4 CC(C)CCCNCCC#N 2230a_200000737386_100011215226 [1,1,0,0,0,0|1,0,1]=4 5511 B10R0.4 CC(C)CCCNCCCF 2230a_100015189416_100011214892 [1,1,0,0,0,0|1,0,0]=3 5512 B10R0.4 CC(C)CCCNCCCF 2230a_200000737386_100011934791 [1,1,0,0,0,0|1,0,0]=3 5513 B10R0.4 CC(C)CCCNCCCF 34a_100015189416_100011214892 [1,1,0,0,0,0|1,0,0]=3 5514 B10R0.4 CC(C)CCCNCCCF 34a_200000737386_100011934791 [1,1,0,0,0,0|1,0,0]=3 5515 B10R0.4 CC(C)CCCNCCCO 2230a_200000737386_100000230001 [1,1,0,0,0,0|0,0,0]=2 5516 B10R0.4 CC(C)CCCNCCCO 34a_200000737386_100000230001 [1,1,0,0,0,0|0,0,0]=2 5517 B10R0.4 CC(C)CCCOCCC#N 7a_100000210774_100000184422 [1,1,0,0,0,0|1,0,1]=4 5518 B10R0.4 CC(C)CCCOCCCBr 34a_100011217188_100011214892 [1,1,0,0,0,0|1,0,0]=3 5519 B10R0.4 CC(C)CCCOCCCCl 34a_100000230001_100011214892 [1,1,0,0,0,0|1,0,0]=3 5520 B10R0.4 CC(C)CCCOCCCF 34a_100000210774_100011934791 [1,1,0,0,0,0|1,0,0]=3 5521 B10R0.4 CC(C)CCCOCCCF 34a_100000759539_100011214892 [1,1,0,0,0,0|1,0,0]=3 5522 B10R0.4 CC(C)CCCOCCCF 7a_100000210774_100011934791 [1,1,0,0,0,0|1,0,0]=3 5523 B10R0.4 CC(C)CCCOCCCN 34a_100000182051_100011214892 [1,1,0,0,0,0|1,0,0]=3 5524 B10R0.4 CC(C)CCCOCCCO 34a_100000210774_100000230001 [1,1,0,0,0,0|0,0,0]=2 5525 B10R0.4 CC(C)CCCOCCCO 7a_100000210774_100011215043 [1,1,0,0,0,0|0,0,0]=2 5526 B10R0.4 CC(C)CCCOCCON 34a_100000700252_100011214892 [1,1,0,0,0,0|1,0,0]=3 5527 B10R0.4 CC(C)CCCSCCC#N 62a_100011214892_100011215226 [1,1,0,0,0,0|1,0,1]=4 5528 B10R0.4 CC(C)CCCSCCC#N 62a_100011215226_100011214892 [1,1,0,0,0,0|1,0,1]=4 5529 B10R0.4 CC(C)CCCSCCCF 62a_100011214892_100011934791 [1,1,0,0,0,0|1,0,0]=3 5530 B10R0.4 CC(C)CCCSCCCF 62a_100011934791_100011214892 [1,1,0,0,0,0|1,0,0]=3 5531 B10R0.4 CC(C)CCCSCCCO 62a_100011214892_100011215043 [1,1,0,0,0,0|0,0,0]=2 5532 B10R0.4 CC(C)CCCSCCCO 62a_100011215043_100011214892 [1,1,0,0,0,0|0,0,0]=2 5533 B10R0.4 CC(C)CCNCCCCO 2230a_100000750430_100000210312 [1,1,0,0,0,0|0,0,0]=2 5534 B10R0.4 CC(C)CCNCCCCO 269862a_100000750430_100000185833 [1,1,0,0,0,0|0,0,0]=2 5535 B10R0.4 CC(C)CCNCCCCO 34a_100000750430_100000210312 [1,1,0,0,0,0|0,0,0]=2 5536 B10R0.4 CC(C)CCOCC#CCO 34a_100000210254_200000047223 [1,1,0,0,0,0|0,0,2]=4 5537 B10R0.4 CC(C)CCOCC#CCO 7a_100000210254_200000047223 [1,1,0,0,0,0|0,0,2]=4 5538 B10R0.4 CC(C)CCOCCCC#N 7a_100000210254_100000687738 [1,1,0,0,0,0|1,0,1]=4 5539 B10R0.4 CC(C)CCOCCCC=O 7a_100000210254_200011292268 [1,1,0,0,0,0|0,0,2]=4 5540 B10R0.4 CC(C)CCOCCCCBr 34a_100011216708_100000210312 [1,1,0,0,0,0|1,0,0]=3 5541 B10R0.4 CC(C)CCOCCCCCl 34a_100000210776_100000210312 [1,1,0,0,0,0|1,0,0]=3 5542 B10R0.4 CC(C)CCOCCCCCl 7a_100000210776_100000210626 [1,1,0,0,0,0|1,0,0]=3 5543 B10R0.4 CC(C)CCOCCCCF 34a_100000210254_100000729493 [1,1,0,0,0,0|1,0,0]=3 5544 B10R0.4 CC(C)CCOCCCCF 34a_100011995726_100000210312 [1,1,0,0,0,0|1,0,0]=3 5545 B10R0.4 CC(C)CCOCCCCF 7a_100000210254_100000729493 [1,1,0,0,0,0|1,0,0]=3 5546 B10R0.4 CC(C)CCOCCCCF 7a_100011995726_100000210626 [1,1,0,0,0,0|1,0,0]=3 5547 B10R0.4 CC(C)CCOCCCCI 34a_200012148704_100000210312 [1,1,0,0,0,0|1,0,0]=3 5548 B10R0.4 CC(C)CCOCCCCN 34a_100000750430_100000210312 [1,1,0,0,0,0|1,0,0]=3 5549 B10R0.4 CC(C)CCOCCCCO 34a_100000210254_100011216708 [1,1,0,0,0,0|0,0,0]=2 5550 B10R0.4 CC(C)CCOCCCCO 7a_100000210254_100000210776 [1,1,0,0,0,0|0,0,0]=2 5551 B10R0.4 CC(C)CCSCC#CCO 62a_100000210312_200000047223 [1,1,0,0,0,0|0,0,2]=4 5552 B10R0.4 CC(C)CCSCC#CCO 62a_200000047223_100000210312 [1,1,0,0,0,0|0,0,2]=4 5553 B10R0.4 CC(C)CCSCCCC#N 62a_100000210312_100000687738 [1,1,0,0,0,0|1,0,1]=4 5554 B10R0.4 CC(C)CCSCCCC#N 62a_100000687738_100000210312 [1,1,0,0,0,0|1,0,1]=4 5555 B10R0.4 CC(C)CCSCCCC=O 62a_100000210312_200011292268 [1,1,0,0,0,0|0,0,2]=4 5556 B10R0.4 CC(C)CCSCCCC=O 62a_200011292268_100000210312 [1,1,0,0,0,0|0,0,2]=4 5557 B10R0.4 CC(C)CCSCCCCF 62a_100000210312_100000729493 [1,1,0,0,0,0|1,0,0]=3 5558 B10R0.4 CC(C)CCSCCCCF 62a_100000729493_100000210312 [1,1,0,0,0,0|1,0,0]=3 5559 B10R0.4 CC(C)CCSCCCCO 62a_100000210312_100000210776 [1,1,0,0,0,0|0,0,0]=2 5560 B10R0.4 CC(C)CCSCCCCO 62a_100000210776_100000210312 [1,1,0,0,0,0|0,0,0]=2 5561 B10R0.4 CC(C)CNCCCCC#N 2230a_100000210953_100000211819 [1,1,0,0,0,0|1,0,1]=4 5562 B10R0.4 CC(C)CNCCCCC#N 270004a_100000751965_100000210432 [1,1,0,0,0,0|1,0,1]=4 5563 B10R0.4 CC(C)CNCCCCC=O 2230a_100000210953_100000139335 [1,1,0,0,0,0|0,0,2]=4 5564 B10R0.4 CC(C)CNCCCCCF 2230a_100000210953_100000729378 [1,1,0,0,0,0|1,0,0]=3 5565 B10R0.4 CC(C)CNCCCCCF 34a_100000210953_100000729378 [1,1,0,0,0,0|1,0,0]=3 5566 B10R0.4 CC(C)CNCCCCCO 2230a_100000210953_100000746330 [1,1,0,0,0,0|0,0,0]=2 5567 B10R0.4 CC(C)CNCCCCCO 2230a_100000762737_100000210760 [1,1,0,0,0,0|0,0,0]=2 5568 B10R0.4 CC(C)CNCCCCCO 270004a_100000762737_100000210432 [1,1,0,0,0,0|0,0,0]=2 5569 B10R0.4 CC(C)CNCCCCCO 34a_100000210953_100000746330 [1,1,0,0,0,0|0,0,0]=2 5570 B10R0.4 CC(C)CNCCCCCO 34a_100000762737_100000210624 [1,1,0,0,0,0|0,0,0]=2 5571 B10R0.4 CC(C)CNCCOCCF 34a_100015185251_100011217306 [1,1,0,0,0,0|2,0,0]=4 5572 B10R0.4 CC(C)CNCCOCCO 2230a_100000210953_100011215305 [1,1,0,0,0,0|1,0,0]=3 5573 B10R0.4 CC(C)CNCCOCCO 2230a_100000211614_100000210760 [1,1,0,0,0,0|1,0,0]=3 5574 B10R0.4 CC(C)CNCCOCCO 270004a_100000211614_100000210432 [1,1,0,0,0,0|1,0,0]=3 5575 B10R0.4 CC(C)CNCCOCCO 34a_100000210953_100000692535 [1,1,0,0,0,0|1,0,0]=3 5576 B10R0.4 CC(C)CNCCOCCO 34a_100000211614_100000210624 [1,1,0,0,0,0|1,0,0]=3 5577 B10R0.4 CC(C)CNCCOCCO 34a_100015185251_100000211926 [1,1,0,0,0,0|1,0,0]=3 5578 B10R0.4 CC(C)CNCCSCCO 2230a_100011219999_100000210760 [1,1,0,0,0,0|1,0,0]=3 5579 B10R0.4 CC(C)CNCCSCCO 270004a_100011219999_100000210432 [1,1,0,0,0,0|1,0,0]=3 5580 B10R0.4 CC(C)COCCCCCBr 34a_100000746331_100000210624 [1,1,0,0,0,0|1,0,0]=3 5581 B10R0.4 CC(C)COCCCCCBr 7a_100000746331_100000210760 [1,1,0,0,0,0|1,0,0]=3 5582 B10R0.4 CC(C)COCCCCCCl 34a_100000746330_100000210624 [1,1,0,0,0,0|1,0,0]=3 5583 B10R0.4 CC(C)COCCCCCCl 7a_100000746330_100000210760 [1,1,0,0,0,0|1,0,0]=3 5584 B10R0.4 CC(C)COCCCCCF 34a_100000210257_100000729378 [1,1,0,0,0,0|1,0,0]=3 5585 B10R0.4 CC(C)COCCCCCI 34a_200012148887_100000210624 [1,1,0,0,0,0|1,0,0]=3 5586 B10R0.4 CC(C)COCCCCCI 7a_200012148887_100000210760 [1,1,0,0,0,0|1,0,0]=3 5587 B10R0.4 CC(C)COCCCCCN 34a_100000762737_100000210624 [1,1,0,0,0,0|1,0,0]=3 5588 B10R0.4 CC(C)COCCCCCO 34a_100000210257_100000746330 [1,1,0,0,0,0|0,0,0]=2 5589 B10R0.4 CC(C)COCCCNCF 34a_100000205972_100015361967 [1,1,0,0,0,0|2,0,0]=4 5590 B10R0.4 CC(C)COCCOCCBr 34a_100000692535_100000210624 [1,1,0,0,0,0|2,0,0]=4 5591 B10R0.4 CC(C)COCCOCCBr 7a_100000692535_100000210760 [1,1,0,0,0,0|2,0,0]=4 5592 B10R0.4 CC(C)COCCOCCCl 34a_100011215305_100000210624 [1,1,0,0,0,0|2,0,0]=4 5593 B10R0.4 CC(C)COCCOCCCl 7a_100011215305_100000210760 [1,1,0,0,0,0|2,0,0]=4 5594 B10R0.4 CC(C)COCCOCCF 34a_100000703358_100011217306 [1,1,0,0,0,0|2,0,0]=4 5595 B10R0.4 CC(C)COCCOCCF 34a_200015357709_100000210624 [1,1,0,0,0,0|2,0,0]=4 5596 B10R0.4 CC(C)COCCOCCF 7a_100000703358_100011217306 [1,1,0,0,0,0|2,0,0]=4 5597 B10R0.4 CC(C)COCCOCCF 7a_200015357709_100000210760 [1,1,0,0,0,0|2,0,0]=4 5598 B10R0.4 CC(C)COCCOCCI 34a_100012149058_100000210624 [1,1,0,0,0,0|2,0,0]=4 5599 B10R0.4 CC(C)COCCOCCI 7a_100012149058_100000210760 [1,1,0,0,0,0|2,0,0]=4 5600 B10R0.4 CC(C)COCCOCCN 34a_100000211614_100000210624 [1,1,0,0,0,0|2,0,0]=4 5601 B10R0.4 CC(C)COCCOCCO 34a_100000210257_100000692535 [1,1,0,0,0,0|1,0,0]=3 5602 B10R0.4 CC(C)COCCOCCO 34a_100000703358_100000211926 [1,1,0,0,0,0|1,0,0]=3 5603 B10R0.4 CC(C)COCCOCCO 7a_100000703358_100000211926 [1,1,0,0,0,0|1,0,0]=3 5604 B10R0.4 CC(C)CSCCCCC#N 62a_100000210624_100000211819 [1,1,0,0,0,0|1,0,1]=4 5605 B10R0.4 CC(C)CSCCCCC#N 62a_100011219923_100000210760 [1,1,0,0,0,0|1,0,1]=4 5606 B10R0.4 CC(C)CSCCCCC=O 62a_100000139335_100000210760 [1,1,0,0,0,0|0,0,2]=4 5607 B10R0.4 CC(C)CSCCCCC=O 62a_100000210624_100000139335 [1,1,0,0,0,0|0,0,2]=4 5608 B10R0.4 CC(C)CSCCCCCF 62a_100000210624_100000729378 [1,1,0,0,0,0|1,0,0]=3 5609 B10R0.4 CC(C)CSCCCCCF 62a_100000729378_100000210760 [1,1,0,0,0,0|1,0,0]=3 5610 B10R0.4 CC(C)CSCCCCCO 62a_100000210624_100000746330 [1,1,0,0,0,0|0,0,0]=2 5611 B10R0.4 CC(C)CSCCCCCO 62a_100000746330_100000210760 [1,1,0,0,0,0|0,0,0]=2 5612 B10R0.4 CC(C)CSCCOCCF 34a_200000230437_100011217306 [1,1,0,0,0,0|2,0,0]=4 5613 B10R0.4 CC(C)CSCCOCCF 7a_200000230437_100011217306 [1,1,0,0,0,0|2,0,0]=4 5614 B10R0.4 CC(C)CSCCOCCO 34a_200000230437_100000211926 [1,1,0,0,0,0|1,0,0]=3 5615 B10R0.4 CC(C)CSCCOCCO 62a_100000210624_100011215305 [1,1,0,0,0,0|1,0,0]=3 5616 B10R0.4 CC(C)CSCCOCCO 62a_100011215305_100000210760 [1,1,0,0,0,0|1,0,0]=3 5617 B10R0.4 CC(C)CSCCOCCO 7a_200000230437_100000211926 [1,1,0,0,0,0|1,0,0]=3 5618 B10R0.4 CC(C)NCCCCCC#N 2230a_100138425928_100009813376 [1,1,0,0,0,0|1,0,1]=4 5619 B10R0.4 CC(C)NCCCCCC=O 2230a_100138425928_100000139337 [1,1,0,0,0,0|0,0,2]=4 5620 B10R0.4 CC(C)NCCCCCCF 2230a_100138425928_100015922095 [1,1,0,0,0,0|1,0,0]=3 5621 B10R0.4 CC(C)NCCCCCCF 34a_100138425928_100015922095 [1,1,0,0,0,0|1,0,0]=3 5622 B10R0.4 CC(C)NCCCCCCO 2230a_100000686447_100000210206 [1,1,0,0,0,0|0,0,0]=2 5623 B10R0.4 CC(C)NCCCCCCO 2230a_100138425928_100000766143 [1,1,0,0,0,0|0,0,0]=2 5624 B10R0.4 CC(C)NCCCCCCO 34a_100000686447_100000210206 [1,1,0,0,0,0|0,0,0]=2 5625 B10R0.4 CC(C)NCCCCCCO 34a_100138425928_100000766143 [1,1,0,0,0,0|0,0,0]=2 5626 B10R0.4 CC(C)NCCCCCO[13CH3] 34a_100011629493_200025704644 [1,1,0,0,0,0|1,0,0]=3 5627 B10R0.4 CC(C)NCCCCOCF 34a_100011521146_100015361967 [1,1,0,0,0,0|2,0,0]=4 5628 B10R0.4 CC(C)NCCCOCCF 34a_100000182298_100011217306 [1,1,0,0,0,0|2,0,0]=4 5629 B10R0.4 CC(C)NCCCOCCO 34a_100000182298_100000211926 [1,1,0,0,0,0|1,0,0]=3 5630 B10R0.4 CC(C)NCCOCCCF 34a_100000224655_100011934791 [1,1,0,0,0,0|2,0,0]=4 5631 B10R0.4 CC(C)NCCOCCCO 34a_100000224655_100000230001 [1,1,0,0,0,0|1,0,0]=3 5632 B10R0.4 CC(C)NN=CCCCCO 4a_100000741168_100000031955 [1,1,0,0,0,0|1,0,1]=4 5633 B10R0.4 CC(C)OCCCCCCBr 34a_100011215345_100000210206 [1,1,0,0,0,0|1,0,0]=3 5634 B10R0.4 CC(C)OCCCCCCBr 7a_100011215345_100000210206 [1,1,0,0,0,0|1,0,0]=3 5635 B10R0.4 CC(C)OCCCCCCCl 34a_100000766143_100000210206 [1,1,0,0,0,0|1,0,0]=3 5636 B10R0.4 CC(C)OCCCCCCCl 7a_100000766143_100000210206 [1,1,0,0,0,0|1,0,0]=3 5637 B10R0.4 CC(C)OCCCCCCF 34a_100000212225_100015922095 [1,1,0,0,0,0|1,0,0]=3 5638 B10R0.4 CC(C)OCCCCCCF 34a_100000732779_100000210206 [1,1,0,0,0,0|1,0,0]=3 5639 B10R0.4 CC(C)OCCCCCCF 7a_100000732779_100000210206 [1,1,0,0,0,0|1,0,0]=3 5640 B10R0.4 CC(C)OCCCCCCN 34a_100000686447_100000210206 [1,1,0,0,0,0|1,0,0]=3 5641 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [1,1,0,0,0,0|0,0,0]=2 5642 B10R0.4 CC(C)OCCCNCCF 2230a_100000737246_100011217306 [1,1,0,0,0,0|2,0,0]=4 5643 B10R0.4 CC(C)OCCCNCCF 34a_100000737246_100011217306 [1,1,0,0,0,0|2,0,0]=4 5644 B10R0.4 CC(C)OCCCNCCO 2230a_100000737246_100000211926 [1,1,0,0,0,0|1,0,0]=3 5645 B10R0.4 CC(C)OCCCNCCO 34a_100000737246_100000211926 [1,1,0,0,0,0|1,0,0]=3 5646 B10R0.4 CC(C)OCCNCCCF 2230a_100000701111_100011934791 [1,1,0,0,0,0|2,0,0]=4 5647 B10R0.4 CC(C)OCCNCCCF 2230a_100015189416_100000211751 [1,1,0,0,0,0|2,0,0]=4 5648 B10R0.4 CC(C)OCCNCCCF 34a_100000701111_100011934791 [1,1,0,0,0,0|2,0,0]=4 5649 B10R0.4 CC(C)OCCNCCCF 34a_100015189416_100000211751 [1,1,0,0,0,0|2,0,0]=4 5650 B10R0.4 CC(C)OCCNCCCO 2230a_100000701111_100000230001 [1,1,0,0,0,0|1,0,0]=3 5651 B10R0.4 CC(C)OCCNCCCO 34a_100000701111_100000230001 [1,1,0,0,0,0|1,0,0]=3 5652 B10R0.4 CC(C)OCCOCCCBr 34a_100011217188_100000211751 [1,1,0,0,0,0|2,0,0]=4 5653 B10R0.4 CC(C)OCCOCCCCl 34a_100000230001_100000211751 [1,1,0,0,0,0|2,0,0]=4 5654 B10R0.4 CC(C)OCCOCCCF 34a_100000211219_100011934791 [1,1,0,0,0,0|2,0,0]=4 5655 B10R0.4 CC(C)OCCOCCCF 34a_100000759539_100000211751 [1,1,0,0,0,0|2,0,0]=4 5656 B10R0.4 CC(C)OCCOCCCF 7a_100000211219_100011934791 [1,1,0,0,0,0|2,0,0]=4 5657 B10R0.4 CC(C)OCCOCCCN 34a_100000182051_100000211751 [1,1,0,0,0,0|2,0,0]=4 5658 B10R0.4 CC(C)OCCOCCCO 34a_100000211219_100000230001 [1,1,0,0,0,0|1,0,0]=3 5659 B10R0.4 CC(C)OCCOCCCO 7a_100000211219_100011215043 [1,1,0,0,0,0|1,0,0]=3 5660 B10R0.4 CC(C)OCCOCCON 34a_100000700252_100000211751 [1,1,0,0,0,0|2,0,0]=4 5661 B10R0.4 CC(C)OCCSCCCF 62a_100000211751_100011934791 [1,1,0,0,0,0|2,0,0]=4 5662 B10R0.4 CC(C)OCCSCCCF 62a_100011934791_100000211751 [1,1,0,0,0,0|2,0,0]=4 5663 B10R0.4 CC(C)OCCSCCCO 62a_100000211751_100011215043 [1,1,0,0,0,0|1,0,0]=3 5664 B10R0.4 CC(C)OCCSCCCO 62a_100011215043_100000211751 [1,1,0,0,0,0|1,0,0]=3 5665 B10R0.4 CC(C)OCNCCCCO 2230a_100000750430_100000709892 [1,1,0,0,0,0|1,0,0]=3 5666 B10R0.4 CC(C)OCNCCCCO 34a_100000750430_100000709892 [1,1,0,0,0,0|1,0,0]=3 5667 B10R0.4 CC(C)OCOCCCCBr 34a_100011216708_100000709892 [1,1,0,0,0,0|2,0,0]=4 5668 B10R0.4 CC(C)OCOCCCCCl 34a_100000210776_100000709892 [1,1,0,0,0,0|2,0,0]=4 5669 B10R0.4 CC(C)OCOCCCCF 34a_100011995726_100000709892 [1,1,0,0,0,0|2,0,0]=4 5670 B10R0.4 CC(C)OCOCCCCI 34a_200012148704_100000709892 [1,1,0,0,0,0|2,0,0]=4 5671 B10R0.4 CC(C)OCOCCCCN 34a_100000750430_100000709892 [1,1,0,0,0,0|2,0,0]=4 5672 B10R0.4 CC(C)OCSCCCCF 62a_100000709892_100000729493 [1,1,0,0,0,0|2,0,0]=4 5673 B10R0.4 CC(C)OCSCCCCF 62a_100000729493_100000709892 [1,1,0,0,0,0|2,0,0]=4 5674 B10R0.4 CC(C)OCSCCCCO 62a_100000210776_100000709892 [1,1,0,0,0,0|1,0,0]=3 5675 B10R0.4 CC(C)OCSCCCCO 62a_100000709892_100000210776 [1,1,0,0,0,0|1,0,0]=3 5676 B10R0.4 CC(C)SCCCCCC#N 62a_100000210206_100009813376 [1,1,0,0,0,0|1,0,1]=4 5677 B10R0.4 CC(C)SCCCCCC#N 62a_100009813376_100000210206 [1,1,0,0,0,0|1,0,1]=4 5678 B10R0.4 CC(C)SCCCCCC=O 62a_100000139337_100000210206 [1,1,0,0,0,0|0,0,2]=4 5679 B10R0.4 CC(C)SCCCCCC=O 62a_100000210206_100000139337 [1,1,0,0,0,0|0,0,2]=4 5680 B10R0.4 CC(C)SCCCCCCF 62a_100000210206_100015922095 [1,1,0,0,0,0|1,0,0]=3 5681 B10R0.4 CC(C)SCCCCCCF 62a_100015922095_100000210206 [1,1,0,0,0,0|1,0,0]=3 5682 B10R0.4 CC(C)SCCCCCCO 62a_100000210206_100000766143 [1,1,0,0,0,0|0,0,0]=2 5683 B10R0.4 CC(C)SCCCCCCO 62a_100000766143_100000210206 [1,1,0,0,0,0|0,0,0]=2 5684 B10R0.4 CC(C)SCCNCCCF 2230a_100000731138_100011934791 [1,1,0,0,0,0|2,0,0]=4 5685 B10R0.4 CC(C)SCCNCCCF 2230a_100015189416_100000730970 [1,1,0,0,0,0|2,0,0]=4 5686 B10R0.4 CC(C)SCCNCCCF 34a_100000731138_100011934791 [1,1,0,0,0,0|2,0,0]=4 5687 B10R0.4 CC(C)SCCNCCCF 34a_100015189416_100000730970 [1,1,0,0,0,0|2,0,0]=4 5688 B10R0.4 CC(C)SCCNCCCO 2230a_100000731138_100000230001 [1,1,0,0,0,0|1,0,0]=3 5689 B10R0.4 CC(C)SCCNCCCO 34a_100000731138_100000230001 [1,1,0,0,0,0|1,0,0]=3 5690 B10R0.4 CC(C)SCCOCCCBr 34a_100011217188_100000730970 [1,1,0,0,0,0|2,0,0]=4 5691 B10R0.4 CC(C)SCCOCCCCl 34a_100000230001_100000730970 [1,1,0,0,0,0|2,0,0]=4 5692 B10R0.4 CC(C)SCCOCCCF 34a_100000759539_100000730970 [1,1,0,0,0,0|2,0,0]=4 5693 B10R0.4 CC(C)SCCOCCCF 34a_200011212901_100011934791 [1,1,0,0,0,0|2,0,0]=4 5694 B10R0.4 CC(C)SCCOCCCF 7a_200011212901_100011934791 [1,1,0,0,0,0|2,0,0]=4 5695 B10R0.4 CC(C)SCCOCCCN 34a_100000182051_100000730970 [1,1,0,0,0,0|2,0,0]=4 5696 B10R0.4 CC(C)SCCOCCCO 34a_200011212901_100000230001 [1,1,0,0,0,0|1,0,0]=3 5697 B10R0.4 CC(C)SCCOCCCO 7a_200011212901_100011215043 [1,1,0,0,0,0|1,0,0]=3 5698 B10R0.4 CC(C)SCCOCCON 34a_100000700252_100000730970 [1,1,0,0,0,0|2,0,0]=4 5699 B10R0.4 CC(C)SCCSCCCF 62a_100000730970_100011934791 [1,1,0,0,0,0|2,0,0]=4 5700 B10R0.4 CC(C)SCCSCCCF 62a_100011934791_100000730970 [1,1,0,0,0,0|2,0,0]=4 5701 B10R0.4 CC(C)SCCSCCCO 62a_100000730970_100011215043 [1,1,0,0,0,0|1,0,0]=3 5702 B10R0.4 CC(C)SCCSCCCO 62a_100011215043_100000730970 [1,1,0,0,0,0|1,0,0]=3 5703 B10R0.4 CC(F)COCCCCCF 34a_100015925927_100000729378 [1,1,0,0,0,0|2,0,0]=4 5704 B10R0.4 CC(F)COCCCCCO 34a_100015925927_100000746330 [1,1,0,0,0,0|1,0,0]=3 5705 B10R0.4 CC(F)COCCOCCO 34a_100015925927_100000692535 [1,1,0,0,0,0|2,0,0]=4 5706 B10R0.4 CC(O)CCCNCCCF 2230a_100015189416_200000718107 [1,1,0,0,0,0|2,0,0]=4 5707 B10R0.4 CC(O)CCCNCCCF 34a_100015189416_200000718107 [1,1,0,0,0,0|2,0,0]=4 5708 B10R0.4 CC(O)CCCOCCCBr 34a_100011217188_200000718107 [1,1,0,0,0,0|2,0,0]=4 5709 B10R0.4 CC(O)CCCOCCCCl 34a_100000230001_200000718107 [1,1,0,0,0,0|2,0,0]=4 5710 B10R0.4 CC(O)CCCOCCCF 34a_100000759539_200000718107 [1,1,0,0,0,0|2,0,0]=4 5711 B10R0.4 CC(O)CCCOCCCN 34a_100000182051_200000718107 [1,1,0,0,0,0|2,0,0]=4 5712 B10R0.4 CC(O)CCCOCCON 34a_100000700252_200000718107 [1,1,0,0,0,0|2,0,0]=4 5713 B10R0.4 CC(O)CCCSCCCF 62a_100011934791_200000718107 [1,1,0,0,0,0|2,0,0]=4 5714 B10R0.4 CC(O)CCCSCCCF 62a_200000718107_100011934791 [1,1,0,0,0,0|2,0,0]=4 5715 B10R0.4 CC(O)CCCSCCCO 62a_100011215043_200000718107 [1,1,0,0,0,0|1,0,0]=3 5716 B10R0.4 CC(O)CCCSCCCO 62a_200000718107_100011215043 [1,1,0,0,0,0|1,0,0]=3 5717 B10R0.4 CC(O)CCNCCCCF 2230a_200000755665_100000729493 [1,1,0,0,0,0|2,0,0]=4 5718 B10R0.4 CC(O)CCNCCCCO 2230a_100000750430_100012276601 [1,1,0,0,0,0|1,0,0]=3 5719 B10R0.4 CC(O)CCNCCCCO 2230a_200000755665_100000210776 [1,1,0,0,0,0|1,0,0]=3 5720 B10R0.4 CC(O)CCNCCCCO 34a_100000750430_100012276601 [1,1,0,0,0,0|1,0,0]=3 5721 B10R0.4 CC(O)CCOCCCCBr 34a_100011216708_100012276601 [1,1,0,0,0,0|2,0,0]=4 5722 B10R0.4 CC(O)CCOCCCCCl 34a_100000210776_100012276601 [1,1,0,0,0,0|2,0,0]=4 5723 B10R0.4 CC(O)CCOCCCCCl 7a_100000210776_100012276601 [1,1,0,0,0,0|2,0,0]=4 5724 B10R0.4 CC(O)CCOCCCCF 34a_100011995726_100012276601 [1,1,0,0,0,0|2,0,0]=4 5725 B10R0.4 CC(O)CCOCCCCF 7a_100011995726_100012276601 [1,1,0,0,0,0|2,0,0]=4 5726 B10R0.4 CC(O)CCOCCCCI 34a_200012148704_100012276601 [1,1,0,0,0,0|2,0,0]=4 5727 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [1,1,0,0,0,0|2,0,0]=4 5728 B10R0.4 CC(O)CCSCCCCF 62a_100000729493_100012276601 [1,1,0,0,0,0|2,0,0]=4 5729 B10R0.4 CC(O)CCSCCCCF 62a_100012276601_100000729493 [1,1,0,0,0,0|2,0,0]=4 5730 B10R0.4 CC(O)CCSCCCCO 62a_100000210776_100012276601 [1,1,0,0,0,0|1,0,0]=3 5731 B10R0.4 CC(O)CCSCCCCO 62a_100012276601_100000210776 [1,1,0,0,0,0|1,0,0]=3 5732 B10R0.4 CC(O)CNCCCCCF 2230a_100000210904_100000729378 [1,1,0,0,0,0|2,0,0]=4 5733 B10R0.4 CC(O)CNCCCCCF 34a_100000210904_100000729378 [1,1,0,0,0,0|2,0,0]=4 5734 B10R0.4 CC(O)CNCCCCCO 2230a_100000210904_100000746330 [1,1,0,0,0,0|1,0,0]=3 5735 B10R0.4 CC(O)CNCCCCCO 2230a_100000762737_100011218427 [1,1,0,0,0,0|1,0,0]=3 5736 B10R0.4 CC(O)CNCCCCCO 34a_100000210904_100000746330 [1,1,0,0,0,0|1,0,0]=3 5737 B10R0.4 CC(O)CNCCCCCO 34a_100000762737_100011218427 [1,1,0,0,0,0|1,0,0]=3 5738 B10R0.4 CC(O)CNCCOCCO 2230a_100000210904_100011215305 [1,1,0,0,0,0|2,0,0]=4 5739 B10R0.4 CC(O)CNCCOCCO 2230a_100000211614_100011218427 [1,1,0,0,0,0|2,0,0]=4 5740 B10R0.4 CC(O)CNCCOCCO 34a_100000210904_100000692535 [1,1,0,0,0,0|2,0,0]=4 5741 B10R0.4 CC(O)CNCCOCCO 34a_100000211614_100011218427 [1,1,0,0,0,0|2,0,0]=4 5742 B10R0.4 CC(O)CNCCSCCO 2230a_100011219999_100011218427 [1,1,0,0,0,0|2,0,0]=4 5743 B10R0.4 CC(O)COCCCCCBr 34a_100000746331_100011218427 [1,1,0,0,0,0|2,0,0]=4 5744 B10R0.4 CC(O)COCCCCCBr 7a_100000746331_100011218427 [1,1,0,0,0,0|2,0,0]=4 5745 B10R0.4 CC(O)COCCCCCCl 34a_100000746330_100011218427 [1,1,0,0,0,0|2,0,0]=4 5746 B10R0.4 CC(O)COCCCCCCl 7a_100000746330_100011218427 [1,1,0,0,0,0|2,0,0]=4 5747 B10R0.4 CC(O)COCCCCCI 34a_200012148887_100011218427 [1,1,0,0,0,0|2,0,0]=4 5748 B10R0.4 CC(O)COCCCCCI 7a_200012148887_100011218427 [1,1,0,0,0,0|2,0,0]=4 5749 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [1,1,0,0,0,0|2,0,0]=4 5750 B10R0.4 CC(O)CSCCCCCF 62a_100000729378_100011218427 [1,1,0,0,0,0|2,0,0]=4 5751 B10R0.4 CC(O)CSCCCCCF 62a_100011218427_100000729378 [1,1,0,0,0,0|2,0,0]=4 5752 B10R0.4 CC(O)CSCCCCCO 62a_100000746330_100011218427 [1,1,0,0,0,0|1,0,0]=3 5753 B10R0.4 CC(O)CSCCCCCO 62a_100011218427_100000746330 [1,1,0,0,0,0|1,0,0]=3 5754 B10R0.4 CC(O)CSCCOCCO 62a_100011215305_100011218427 [1,1,0,0,0,0|2,0,0]=4 5755 B10R0.4 CC(O)CSCCOCCO 62a_100011218427_100011215305 [1,1,0,0,0,0|2,0,0]=4 5756 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [1,1,0,0,0,0|2,0,0]=4 5757 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [1,1,0,0,0,0|2,0,0]=4 5758 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [1,1,0,0,0,0|2,0,0]=4 5759 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [1,1,0,0,0,0|2,0,0]=4 5760 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [1,1,0,0,0,0|2,0,0]=4 5761 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [1,1,0,0,0,0|2,0,0]=4 5762 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [1,1,0,0,0,0|1,0,0]=3 5763 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [1,1,0,0,0,0|1,0,0]=3 5764 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [1,1,0,0,0,0|1,0,0]=3 5765 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [1,1,0,0,0,0|1,0,0]=3 5766 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [1,1,0,0,0,0|1,0,0]=3 5767 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [1,1,0,0,0,0|1,0,0]=3 5768 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [1,1,0,0,0,0|1,0,0]=3 5769 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [1,1,0,0,0,0|1,0,0]=3 5770 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [1,1,0,0,0,0|1,0,0]=3 5771 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [1,1,0,0,0,0|1,0,0]=3 5772 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [1,1,0,0,0,0|1,0,0]=3 5773 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [1,1,0,0,0,0|1,0,0]=3 5774 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [1,1,0,0,0,0|2,0,0]=4 5775 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [1,1,0,0,0,0|2,0,0]=4 5776 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [1,1,0,0,0,0|2,0,0]=4 5777 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [1,1,0,0,0,0|2,0,0]=4 5778 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [1,1,0,0,0,0|2,0,0]=4 5779 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [1,1,0,0,0,0|1,0,0]=3 5780 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [1,1,0,0,0,0|1,0,0]=3 5781 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [1,1,0,0,0,0|1,0,0]=3 5782 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [1,1,0,0,0,0|2,0,0]=4 5783 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [1,1,0,0,0,0|2,0,0]=4 5784 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [1,1,0,0,0,0|2,0,0]=4 5785 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [1,1,0,0,0,0|2,0,0]=4 5786 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [1,1,0,0,0,0|2,0,0]=4 5787 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [1,1,0,0,0,0|2,0,0]=4 5788 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [1,1,0,0,0,0|2,0,0]=4 5789 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [1,1,0,0,0,0|1,0,0]=3 5790 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [1,1,0,0,0,0|1,0,0]=3 5791 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [1,1,0,0,0,0|2,0,0]=4 5792 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [1,1,0,0,0,0|2,0,0]=4 5793 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [1,1,0,0,0,0|2,0,0]=4 5794 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [1,1,0,0,0,0|2,0,0]=4 5795 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [1,1,0,0,0,0|1,0,0]=3 5796 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [1,1,0,0,0,0|1,0,0]=3 5797 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [1,1,0,0,0,0|2,0,0]=4 5798 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [1,1,0,0,0,0|2,0,0]=4 5799 B10R0.4 CCCCCNCOC(C)C 2230a_100000209983_100000709892 [1,1,0,0,0,0|2,0,0]=4 5800 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [1,1,0,0,0,0|2,0,0]=4 5801 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [1,1,0,0,0,0|1,0,0]=3 5802 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [1,1,0,0,0,0|1,0,0]=3 5803 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [1,1,0,0,0,0|1,0,0]=3 5804 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [1,1,0,0,0,0|1,0,0]=3 5805 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [1,1,0,0,0,0|2,0,0]=4 5806 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [1,1,0,0,0,0|2,0,0]=4 5807 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [1,1,0,0,0,0|2,0,0]=4 5808 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [1,1,0,0,0,0|2,0,0]=4 5809 B10R0.4 CCCCCOCOC(C)C 34a_100000210253_100000709892 [1,1,0,0,0,0|2,0,0]=4 5810 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [1,1,0,0,0,0|1,0,0]=3 5811 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [1,1,0,0,0,0|1,0,0]=3 5812 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [1,1,0,0,0,0|2,0,0]=4 5813 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [1,1,0,0,0,0|2,0,0]=4 5814 B10R0.4 CCCCCSCCN(C)C 62a_100000210326_100000755713 [1,1,0,0,0,0|2,0,0]=4 5815 B10R0.4 CCCCCSCOC(C)C 62a_100000210326_100000709892 [1,1,0,0,0,0|2,0,0]=4 5816 B10R0.4 CCCCCSCOC(C)C 62a_100000709892_100000210326 [1,1,0,0,0,0|2,0,0]=4 5817 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [1,1,0,0,0,0|1,0,0]=3 5818 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [1,1,0,0,0,0|1,0,0]=3 5819 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [1,1,0,0,0,0|1,0,0]=3 5820 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [1,1,0,0,0,0|1,0,0]=3 5821 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [1,1,0,0,0,0|2,0,0]=4 5822 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [1,1,0,0,0,0|2,0,0]=4 5823 B10R0.4 CCCCNCCCN(C)C 7a_106832991798_100000757444 [1,1,0,0,0,0|2,0,0]=4 5824 B10R0.4 CCCCNCCOC(C)C 2230a_100000102301_100000211751 [1,1,0,0,0,0|2,0,0]=4 5825 B10R0.4 CCCCNCCOC(C)C 2230a_100000701111_100000210211 [1,1,0,0,0,0|2,0,0]=4 5826 B10R0.4 CCCCNCCOC(C)C 34a_100000701111_100000210210 [1,1,0,0,0,0|2,0,0]=4 5827 B10R0.4 CCCCNCCOC(C)C 7a_106832991798_100000211751 [1,1,0,0,0,0|2,0,0]=4 5828 B10R0.4 CCCCNCCSC(C)C 2230a_100000102301_100000730970 [1,1,0,0,0,0|2,0,0]=4 5829 B10R0.4 CCCCNCCSC(C)C 2230a_100000731138_100000210211 [1,1,0,0,0,0|2,0,0]=4 5830 B10R0.4 CCCCNCCSC(C)C 34a_100000731138_100000210210 [1,1,0,0,0,0|2,0,0]=4 5831 B10R0.4 CCCCNCCSC(C)C 7a_106832991798_100000730970 [1,1,0,0,0,0|2,0,0]=4 5832 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [1,1,0,0,0,0|1,0,0]=3 5833 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [1,1,0,0,0,0|1,0,0]=3 5834 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [1,1,0,0,0,0|1,0,0]=3 5835 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [1,1,0,0,0,0|1,0,0]=3 5836 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [1,1,0,0,0,0|2,0,0]=4 5837 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [1,1,0,0,0,0|2,0,0]=4 5838 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [1,1,0,0,0,0|2,0,0]=4 5839 B10R0.4 CCCCOCCNC(C)C 2230a_100138425928_100000743108 [1,1,0,0,0,0|2,0,0]=4 5840 B10R0.4 CCCCOCCNC(C)C 34a_100000224655_100000210210 [1,1,0,0,0,0|2,0,0]=4 5841 B10R0.4 CCCCOCCNC(C)C 34a_100138425928_100000743108 [1,1,0,0,0,0|2,0,0]=4 5842 B10R0.4 CCCCOCCOC(C)C 34a_100000210227_100000211751 [1,1,0,0,0,0|2,0,0]=4 5843 B10R0.4 CCCCOCCOC(C)C 34a_100000210238_100000210206 [1,1,0,0,0,0|2,0,0]=4 5844 B10R0.4 CCCCOCCOC(C)C 34a_100000211219_100000210210 [1,1,0,0,0,0|2,0,0]=4 5845 B10R0.4 CCCCOCCOC(C)C 34a_100000212225_100000743108 [1,1,0,0,0,0|2,0,0]=4 5846 B10R0.4 CCCCOCCOC(C)C 7a_100000210227_100000211751 [1,1,0,0,0,0|2,0,0]=4 5847 B10R0.4 CCCCOCCOC(C)C 7a_100000210238_100000210206 [1,1,0,0,0,0|2,0,0]=4 5848 B10R0.4 CCCCOCCOC(C)C 7a_100000211219_100000210211 [1,1,0,0,0,0|2,0,0]=4 5849 B10R0.4 CCCCOCCSC(C)C 34a_100000210227_100000730970 [1,1,0,0,0,0|2,0,0]=4 5850 B10R0.4 CCCCOCCSC(C)C 34a_200011212901_100000210210 [1,1,0,0,0,0|2,0,0]=4 5851 B10R0.4 CCCCOCCSC(C)C 62a_100000210206_100000743108 [1,1,0,0,0,0|2,0,0]=4 5852 B10R0.4 CCCCOCCSC(C)C 62a_100000743108_100000210206 [1,1,0,0,0,0|2,0,0]=4 5853 B10R0.4 CCCCOCCSC(C)C 7a_100000210227_100000730970 [1,1,0,0,0,0|2,0,0]=4 5854 B10R0.4 CCCCOCCSC(C)C 7a_200011212901_100000210211 [1,1,0,0,0,0|2,0,0]=4 5855 B10R0.4 CCCCOCNCC(C)C 2230a_100000210953_100011995733 [1,1,0,0,0,0|2,0,0]=4 5856 B10R0.4 CCCCOCNCC(C)C 34a_100000210953_100011995733 [1,1,0,0,0,0|2,0,0]=4 5857 B10R0.4 CCCCOCOCC(C)C 34a_100000210257_100011995733 [1,1,0,0,0,0|2,0,0]=4 5858 B10R0.4 CCCCOCSCC(C)C 62a_100000210624_100011995733 [1,1,0,0,0,0|2,0,0]=4 5859 B10R0.4 CCCCOCSCC(C)C 62a_100011995733_100000210760 [1,1,0,0,0,0|2,0,0]=4 5860 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [1,1,0,0,0,0|1,0,0]=3 5861 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [1,1,0,0,0,0|1,0,0]=3 5862 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [1,1,0,0,0,0|2,0,0]=4 5863 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [1,1,0,0,0,0|2,0,0]=4 5864 B10R0.4 CCCCSCCCN(C)C 62a_100000210211_100000757444 [1,1,0,0,0,0|2,0,0]=4 5865 B10R0.4 CCCCSCCNC(C)C 2230a_100025743550_100000210206 [1,1,0,0,0,0|2,0,0]=4 5866 B10R0.4 CCCCSCCOC(C)C 34a_200000230436_100000210206 [1,1,0,0,0,0|2,0,0]=4 5867 B10R0.4 CCCCSCCOC(C)C 62a_100000210211_100000211751 [1,1,0,0,0,0|2,0,0]=4 5868 B10R0.4 CCCCSCCOC(C)C 62a_100000211751_100000210210 [1,1,0,0,0,0|2,0,0]=4 5869 B10R0.4 CCCCSCCOC(C)C 7a_200000230436_100000210206 [1,1,0,0,0,0|2,0,0]=4 5870 B10R0.4 CCCCSCCSC(C)C 62a_100000210211_100000730970 [1,1,0,0,0,0|2,0,0]=4 5871 B10R0.4 CCCCSCCSC(C)C 62a_100000730970_100000210210 [1,1,0,0,0,0|2,0,0]=4 5872 B10R0.4 CCCNCCCOC(C)C 2230a_100000737246_100000210303 [1,1,0,0,0,0|2,0,0]=4 5873 B10R0.4 CCCNCCCOC(C)C 34a_100000737246_100000210303 [1,1,0,0,0,0|2,0,0]=4 5874 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [1,1,0,0,0,0|1,0,0]=3 5875 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [1,1,0,0,0,0|1,0,0]=3 5876 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [1,1,0,0,0,0|1,0,0]=3 5877 B10R0.4 CCCOCCCNC(C)C 2230a_100011217757_100000210206 [1,1,0,0,0,0|2,0,0]=4 5878 B10R0.4 CCCOCCCNC(C)C 34a_100000182298_100000210303 [1,1,0,0,0,0|2,0,0]=4 5879 B10R0.4 CCCOCCCNC(C)C 34a_100011217757_100000210206 [1,1,0,0,0,0|2,0,0]=4 5880 B10R0.4 CCCOCCNCC(C)C 2230a_100000210953_100011215938 [1,1,0,0,0,0|2,0,0]=4 5881 B10R0.4 CCCOCCNCC(C)C 2230a_100161115042_100000210760 [1,1,0,0,0,0|2,0,0]=4 5882 B10R0.4 CCCOCCNCC(C)C 270004a_100161115042_100000210432 [1,1,0,0,0,0|2,0,0]=4 5883 B10R0.4 CCCOCCNCC(C)C 34a_100000210953_100011215938 [1,1,0,0,0,0|2,0,0]=4 5884 B10R0.4 CCCOCCNCC(C)C 34a_100015185251_100000210303 [1,1,0,0,0,0|2,0,0]=4 5885 B10R0.4 CCCOCCNCC(C)C 34a_100161115042_100000210624 [1,1,0,0,0,0|2,0,0]=4 5886 B10R0.4 CCCOCCOCC(C)C 34a_100000210257_100011215938 [1,1,0,0,0,0|2,0,0]=4 5887 B10R0.4 CCCOCCOCC(C)C 34a_100000703358_100000210303 [1,1,0,0,0,0|2,0,0]=4 5888 B10R0.4 CCCOCCOCC(C)C 34a_100000752267_100000210624 [1,1,0,0,0,0|2,0,0]=4 5889 B10R0.4 CCCOCCOCC(C)C 7a_100000703358_100000210303 [1,1,0,0,0,0|2,0,0]=4 5890 B10R0.4 CCCOCCOCC(C)C 7a_100000752267_100000210760 [1,1,0,0,0,0|2,0,0]=4 5891 B10R0.4 CCCOCCSCC(C)C 34a_200000230437_100000210303 [1,1,0,0,0,0|2,0,0]=4 5892 B10R0.4 CCCOCCSCC(C)C 62a_100000210624_100011215938 [1,1,0,0,0,0|2,0,0]=4 5893 B10R0.4 CCCOCCSCC(C)C 62a_100011215938_100000210760 [1,1,0,0,0,0|2,0,0]=4 5894 B10R0.4 CCCOCCSCC(C)C 7a_200000230437_100000210303 [1,1,0,0,0,0|2,0,0]=4 5895 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [1,1,0,0,0,0|1,0,0]=3 5896 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [1,1,0,0,0,0|1,0,0]=3 5897 B10R0.4 CCCSCCCCN(C)C 62a_100000210303_100000690147 [1,1,0,0,0,0|2,0,0]=4 5898 B10R0.4 CCCSCCNCC(C)C 2230a_100020603323_100000210760 [1,1,0,0,0,0|2,0,0]=4 5899 B10R0.4 CCCSCCNCC(C)C 270004a_100020603323_100000210432 [1,1,0,0,0,0|2,0,0]=4 5900 B10R0.4 CCCSCCOCC(C)C 34a_200000230433_100000210624 [1,1,0,0,0,0|2,0,0]=4 5901 B10R0.4 CCCSCCOCC(C)C 7a_200000230433_100000210760 [1,1,0,0,0,0|2,0,0]=4 5902 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [1,1,0,0,0,0|1,0,0]=3 5903 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [1,1,0,0,0,0|1,0,0]=3 5904 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [1,1,0,0,0,0|1,0,0]=3 5905 B10R0.4 CCNCCCOCC(C)C 2230a_100000205972_100000210202 [1,1,0,0,0,0|2,0,0]=4 5906 B10R0.4 CCNCCCOCC(C)C 34a_100000205972_100000210202 [1,1,0,0,0,0|2,0,0]=4 5907 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [1,1,0,0,0,0|1,0,0]=3 5908 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [1,1,0,0,0,0|1,0,0]=3 5909 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [1,1,0,0,0,0|1,0,0]=3 5910 B10R0.4 CCOCCCCNC(C)C 34a_100011521146_100000210202 [1,1,0,0,0,0|2,0,0]=4 5911 B10R0.4 CCOCCCNCC(C)C 2230a_100000210953_100012232248 [1,1,0,0,0,0|2,0,0]=4 5912 B10R0.4 CCOCCCNCC(C)C 2230a_100000210961_100000210760 [1,1,0,0,0,0|2,0,0]=4 5913 B10R0.4 CCOCCCNCC(C)C 270004a_100000210961_100000210432 [1,1,0,0,0,0|2,0,0]=4 5914 B10R0.4 CCOCCCNCC(C)C 34a_100000210953_100012232248 [1,1,0,0,0,0|2,0,0]=4 5915 B10R0.4 CCOCCCNCC(C)C 34a_100000210961_100000210624 [1,1,0,0,0,0|2,0,0]=4 5916 B10R0.4 CCOCCCOCC(C)C 34a_100000210257_100012232248 [1,1,0,0,0,0|2,0,0]=4 5917 B10R0.4 CCOCCCOCC(C)C 34a_100000757476_100000210624 [1,1,0,0,0,0|2,0,0]=4 5918 B10R0.4 CCOCCCOCC(C)C 7a_100000757476_100000210760 [1,1,0,0,0,0|2,0,0]=4 5919 B10R0.4 CCOCCCSCC(C)C 62a_100000210624_100012232248 [1,1,0,0,0,0|2,0,0]=4 5920 B10R0.4 CCOCCCSCC(C)C 62a_100012232248_100000210760 [1,1,0,0,0,0|2,0,0]=4 5921 B10R0.4 CCOCCNCCC(C)C 2230a_102516460346_100000210312 [1,1,0,0,0,0|2,0,0]=4 5922 B10R0.4 CCOCCNCCC(C)C 269862a_100011200944_100000185833 [1,1,0,0,0,0|2,0,0]=4 5923 B10R0.4 CCOCCNCCC(C)C 34a_102516460346_100000210312 [1,1,0,0,0,0|2,0,0]=4 5924 B10R0.4 CCOCCOCCC(C)C 34a_100000210136_100000210312 [1,1,0,0,0,0|2,0,0]=4 5925 B10R0.4 CCOCCOCCC(C)C 34a_100000210254_100000210147 [1,1,0,0,0,0|2,0,0]=4 5926 B10R0.4 CCOCCOCCC(C)C 7a_100000210136_100000210626 [1,1,0,0,0,0|2,0,0]=4 5927 B10R0.4 CCOCCOCCC(C)C 7a_100000210254_100011215890 [1,1,0,0,0,0|2,0,0]=4 5928 B10R0.4 CCOCCSCCC(C)C 62a_100000210147_100000210312 [1,1,0,0,0,0|2,0,0]=4 5929 B10R0.4 CCOCCSCCC(C)C 62a_100000210312_100011215890 [1,1,0,0,0,0|2,0,0]=4 5930 B10R0.4 CCOCSCCCC(C)C 62a_100000739092_100011214892 [1,1,0,0,0,0|2,0,0]=4 5931 B10R0.4 CCOCSCCCC(C)C 62a_100011214892_100000739092 [1,1,0,0,0,0|2,0,0]=4 5932 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [1,1,0,0,0,0|1,0,0]=3 5933 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [1,1,0,0,0,0|1,0,0]=3 5934 B10R0.4 CCSCCCOCC(C)C 34a_100011216438_100000210624 [1,1,0,0,0,0|2,0,0]=4 5935 B10R0.4 CCSCCCOCC(C)C 7a_100011216438_100000210760 [1,1,0,0,0,0|2,0,0]=4 5936 B10R0.4 CCSCCNCCC(C)C 2230a_100000106463_100000210312 [1,1,0,0,0,0|2,0,0]=4 5937 B10R0.4 CCSCCNCCC(C)C 269862a_100000106463_100000185833 [1,1,0,0,0,0|2,0,0]=4 5938 B10R0.4 CCSCCOCCC(C)C 34a_100000210254_100000757381 [1,1,0,0,0,0|2,0,0]=4 5939 B10R0.4 CCSCCOCCC(C)C 34a_100000212035_100000210312 [1,1,0,0,0,0|2,0,0]=4 5940 B10R0.4 CCSCCOCCC(C)C 7a_100000210254_100000757381 [1,1,0,0,0,0|2,0,0]=4 5941 B10R0.4 CCSCCOCCC(C)C 7a_100000212035_100000210626 [1,1,0,0,0,0|2,0,0]=4 5942 B10R0.4 CCSCCSCCC(C)C 62a_100000210312_100000757381 [1,1,0,0,0,0|2,0,0]=4 5943 B10R0.4 CCSCCSCCC(C)C 62a_100000757381_100000210312 [1,1,0,0,0,0|2,0,0]=4 5944 B10R0.4 CN(C)CCCCCCC#N 2230a_100102631434_100009813337 [1,1,0,0,0,0|2,0,0]=4 5945 B10R0.4 CN(C)CCCCCCC#N 269982a_100102631434_100009813337 [1,1,0,0,0,0|2,0,0]=4 5946 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [1,1,0,0,0,0|1,0,0]=3 5947 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [1,1,0,0,0,0|1,0,0]=3 5948 B10R0.4 CN(C)CCCCSCCF 62a_100011217306_100000690147 [1,1,0,0,0,0|2,0,0]=4 5949 B10R0.4 CN(C)CCCCSCCO 62a_100000211926_100000690147 [1,1,0,0,0,0|1,0,0]=3 5950 B10R0.4 CN(C)CCCSCCCF 62a_100011934791_100000757444 [1,1,0,0,0,0|2,0,0]=4 5951 B10R0.4 CN(C)CCCSCCCO 62a_100011215043_100000757444 [1,1,0,0,0,0|1,0,0]=3 5952 B10R0.4 CN(C)CCOCCCCCl 7a_100000210776_100000755713 [1,1,0,0,0,0|2,0,0]=4 5953 B10R0.4 CN(C)CCOCCCCF 7a_100011995726_100000755713 [1,1,0,0,0,0|2,0,0]=4 5954 B10R0.4 CN(C)CCSCCCCF 62a_100000729493_100000755713 [1,1,0,0,0,0|2,0,0]=4 5955 B10R0.4 CN(C)CCSCCCCO 62a_100000210776_100000755713 [1,1,0,0,0,0|1,0,0]=3 5956 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [1,1,0,0,0,0|1,0,0]=3 5957 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [1,1,0,0,0,0|1,0,0]=3 5958 B10R0.4 CNCCCCCOC(C)C 34a_100000722520_100000210206 [1,1,0,0,0,0|2,0,0]=4 5959 B10R0.4 CNCCCOCCC(C)C 34a_100000213112_100000210312 [1,1,0,0,0,0|2,0,0]=4 5960 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,1,0,0,0,0|1,0,1]=4 5961 B10R0.4 COCCCCCCN(C)C 2230a_100102631434_100011998445 [1,1,0,0,0,0|1,0,0]=3 5962 B10R0.4 COCCCCCCN(C)C 269982a_100102631434_100011998445 [1,1,0,0,0,0|1,0,0]=3 5963 B10R0.4 COCCCCCNC(C)C 2230a_100000747528_100000210206 [1,1,0,0,0,0|1,0,0]=3 5964 B10R0.4 COCCCCCNC(C)C 34a_100000747528_100000210206 [1,1,0,0,0,0|1,0,0]=3 5965 B10R0.4 COCCCCCNC(C)C 34a_100011629493_200000210301 [1,1,0,0,0,0|1,0,0]=3 5966 B10R0.4 COCCCCNCC(C)C 2230a_100000210953_100000730899 [1,1,0,0,0,0|1,0,0]=3 5967 B10R0.4 COCCCCNCC(C)C 34a_100000210953_100000755781 [1,1,0,0,0,0|1,0,0]=3 5968 B10R0.4 COCCCCNCC(C)O 2230a_100000210904_100000730899 [1,1,0,0,0,0|2,0,0]=4 5969 B10R0.4 COCCCCNCC(C)O 34a_100000210904_100000755781 [1,1,0,0,0,0|2,0,0]=4 5970 B10R0.4 COCCCCOCC(C)Br 34a_100012180447_100000755781 [1,1,0,0,0,0|2,0,0]=4 5971 B10R0.4 COCCCCOCC(C)C 34a_100000210257_100000755781 [1,1,0,0,0,0|1,0,0]=3 5972 B10R0.4 COCCCCOCC(C)C 34a_100000740925_100000210624 [1,1,0,0,0,0|1,0,0]=3 5973 B10R0.4 COCCCCOCC(C)F 34a_100015925927_100000755781 [1,1,0,0,0,0|2,0,0]=4 5974 B10R0.4 COCCCCOCC(C)O 34a_100000740925_100011218427 [1,1,0,0,0,0|2,0,0]=4 5975 B10R0.4 COCCCCOC[C@@H](C)Cl 34a_100016084084_100000755781 [1,1,0,0,0,0|2,0,0]=4 5976 B10R0.4 COCCCCOC[C@@H](C)N 34a_100000737577_100000755781 [1,1,0,0,0,0|2,0,0]=4 5977 B10R0.4 COCCCCOC[C@@H](C)O 34a_100000740925_100009817552 [1,1,0,0,0,0|2,0,0]=4 5978 B10R0.4 COCCCCSCC(C)C 62a_100000210624_100000730899 [1,1,0,0,0,0|1,0,0]=3 5979 B10R0.4 COCCCCSCC(C)C 62a_100000730899_100000210760 [1,1,0,0,0,0|1,0,0]=3 5980 B10R0.4 COCCCCSCC(C)O 62a_100000730899_100011218427 [1,1,0,0,0,0|2,0,0]=4 5981 B10R0.4 COCCCCSCC(C)O 62a_100011218427_100000730899 [1,1,0,0,0,0|2,0,0]=4 5982 B10R0.4 COCCCCSC[C@@H](C)O 62a_100000730899_100009817552 [1,1,0,0,0,0|2,0,0]=4 5983 B10R0.4 COCCCCSC[C@@H](C)O 62a_100009817552_100000730899 [1,1,0,0,0,0|2,0,0]=4 5984 B10R0.4 COCCCNCCC(C)C 269862a_100150723488_100000185833 [1,1,0,0,0,0|1,0,0]=3 5985 B10R0.4 COCCCNCCC(C)C 34a_100150723488_100000210312 [1,1,0,0,0,0|1,0,0]=3 5986 B10R0.4 COCCCNCCC(C)O 2230a_200000755665_100000740836 [1,1,0,0,0,0|2,0,0]=4 5987 B10R0.4 COCCCNCCC(C)O 34a_100150723488_100012276601 [1,1,0,0,0,0|2,0,0]=4 5988 B10R0.4 COCCCNCOC(C)C 34a_100150723488_100000709892 [1,1,0,0,0,0|2,0,0]=4 5989 B10R0.4 COCCCOCCC(C)Br 34a_100009893172_100000740836 [1,1,0,0,0,0|2,0,0]=4 5990 B10R0.4 COCCCOCCC(C)C 34a_100000210254_100000740836 [1,1,0,0,0,0|1,0,0]=3 5991 B10R0.4 COCCCOCCC(C)C 34a_100000740835_100000210312 [1,1,0,0,0,0|1,0,0]=3 5992 B10R0.4 COCCCOCCC(C)C 7a_100000210254_100000740836 [1,1,0,0,0,0|1,0,0]=3 5993 B10R0.4 COCCCOCCC(C)O 34a_100000740835_100012276601 [1,1,0,0,0,0|2,0,0]=4 5994 B10R0.4 COCCCOCC[C@@H](C)N 34a_100000706166_100000740836 [1,1,0,0,0,0|2,0,0]=4 5995 B10R0.4 COCCCOCOC(C)C 34a_100000740835_100000709892 [1,1,0,0,0,0|2,0,0]=4 5996 B10R0.4 COCCCSCCC(C)C 62a_100000210312_100000709357 [1,1,0,0,0,0|1,0,0]=3 5997 B10R0.4 COCCCSCCC(C)C 62a_100000709357_100000210312 [1,1,0,0,0,0|1,0,0]=3 5998 B10R0.4 COCCCSCCC(C)O 62a_100000709357_100012276601 [1,1,0,0,0,0|2,0,0]=4 5999 B10R0.4 COCCCSCCC(C)O 62a_100012276601_100000709357 [1,1,0,0,0,0|2,0,0]=4 6000 B10R0.4 COCCCSCCN(C)C 62a_100000709357_100000755713 [1,1,0,0,0,0|2,0,0]=4 6001 B10R0.4 COCCCSCOC(C)C 62a_100000709357_100000709892 [1,1,0,0,0,0|2,0,0]=4 6002 B10R0.4 COCCCSCOC(C)C 62a_100000709892_100000709357 [1,1,0,0,0,0|2,0,0]=4 6003 B10R0.4 COCCNCCCC(C)C 2230a_100000209980_100011214892 [1,1,0,0,0,0|1,0,0]=3 6004 B10R0.4 COCCNCCCC(C)C 2230a_200000737386_100011201679 [1,1,0,0,0,0|1,0,0]=3 6005 B10R0.4 COCCNCCCC(C)C 34a_200000737386_100011201679 [1,1,0,0,0,0|1,0,0]=3 6006 B10R0.4 COCCNCCCC(C)O 2230a_100000209980_200000718107 [1,1,0,0,0,0|2,0,0]=4 6007 B10R0.4 COCCNCCOC(C)C 2230a_100000209980_100000211751 [1,1,0,0,0,0|2,0,0]=4 6008 B10R0.4 COCCNCCOC(C)C 2230a_100000701111_100011201679 [1,1,0,0,0,0|2,0,0]=4 6009 B10R0.4 COCCNCCOC(C)C 34a_100000701111_100011201679 [1,1,0,0,0,0|2,0,0]=4 6010 B10R0.4 COCCNCCSC(C)C 2230a_100000209980_100000730970 [1,1,0,0,0,0|2,0,0]=4 6011 B10R0.4 COCCNCCSC(C)C 2230a_100000731138_100011201679 [1,1,0,0,0,0|2,0,0]=4 6012 B10R0.4 COCCNCCSC(C)C 34a_100000731138_100011201679 [1,1,0,0,0,0|2,0,0]=4 6013 B10R0.4 COCCOCCCC(C)C 34a_100000210237_100011214892 [1,1,0,0,0,0|1,0,0]=3 6014 B10R0.4 COCCOCCCC(C)C 34a_100000210774_100011201679 [1,1,0,0,0,0|1,0,0]=3 6015 B10R0.4 COCCOCCCC(C)C 7a_100000210774_100000233755 [1,1,0,0,0,0|1,0,0]=3 6016 B10R0.4 COCCOCCCC(C)O 34a_100000210237_200000718107 [1,1,0,0,0,0|2,0,0]=4 6017 B10R0.4 COCCOCCCN(C)C 2230a_100102631434_100011216529 [1,1,0,0,0,0|2,0,0]=4 6018 B10R0.4 COCCOCCCN(C)C 269982a_100102631434_100011216529 [1,1,0,0,0,0|2,0,0]=4 6019 B10R0.4 COCCOCCNC(C)C 2230a_100000745349_100000210206 [1,1,0,0,0,0|2,0,0]=4 6020 B10R0.4 COCCOCCNC(C)C 2230a_100138425928_100000695917 [1,1,0,0,0,0|2,0,0]=4 6021 B10R0.4 COCCOCCNC(C)C 34a_100000224655_100011201679 [1,1,0,0,0,0|2,0,0]=4 6022 B10R0.4 COCCOCCNC(C)C 34a_100000745349_100000210206 [1,1,0,0,0,0|2,0,0]=4 6023 B10R0.4 COCCOCCNC(C)C 34a_100138425928_100000695917 [1,1,0,0,0,0|2,0,0]=4 6024 B10R0.4 COCCOCCOC(C)C 34a_100000210237_100000211751 [1,1,0,0,0,0|2,0,0]=4 6025 B10R0.4 COCCOCCOC(C)C 34a_100000211219_100011201679 [1,1,0,0,0,0|2,0,0]=4 6026 B10R0.4 COCCOCCOC(C)C 34a_100000212225_100000695917 [1,1,0,0,0,0|2,0,0]=4 6027 B10R0.4 COCCOCCOC(C)C 34a_100011215163_100000210206 [1,1,0,0,0,0|2,0,0]=4 6028 B10R0.4 COCCOCCOC(C)C 7a_100000211219_100000233755 [1,1,0,0,0,0|2,0,0]=4 6029 B10R0.4 COCCOCCOC(C)C 7a_100011215163_100000210206 [1,1,0,0,0,0|2,0,0]=4 6030 B10R0.4 COCCOCCSC(C)C 34a_100000210237_100000730970 [1,1,0,0,0,0|2,0,0]=4 6031 B10R0.4 COCCOCCSC(C)C 34a_200011212901_100011201679 [1,1,0,0,0,0|2,0,0]=4 6032 B10R0.4 COCCOCCSC(C)C 62a_100000210206_100000695917 [1,1,0,0,0,0|2,0,0]=4 6033 B10R0.4 COCCOCCSC(C)C 62a_100000695917_100000210206 [1,1,0,0,0,0|2,0,0]=4 6034 B10R0.4 COCCOCCSC(C)C 7a_200011212901_100000233755 [1,1,0,0,0,0|2,0,0]=4 6035 B10R0.4 COCCOCNCC(C)C 2230a_100000210953_100000231047 [1,1,0,0,0,0|2,0,0]=4 6036 B10R0.4 COCCOCSCC(C)C 62a_100000210624_100000231047 [1,1,0,0,0,0|2,0,0]=4 6037 B10R0.4 COCCOCSCC(C)C 62a_100000231047_100000210760 [1,1,0,0,0,0|2,0,0]=4 6038 B10R0.4 COCCSCCCC(C)C 62a_100000233755_100011214892 [1,1,0,0,0,0|1,0,0]=3 6039 B10R0.4 COCCSCCCC(C)C 62a_100011214892_100000233755 [1,1,0,0,0,0|1,0,0]=3 6040 B10R0.4 COCCSCCCC(C)O 62a_100000233755_200000718107 [1,1,0,0,0,0|2,0,0]=4 6041 B10R0.4 COCCSCCCC(C)O 62a_200000718107_100000233755 [1,1,0,0,0,0|2,0,0]=4 6042 B10R0.4 COCCSCCCN(C)C 62a_100000233755_100000757444 [1,1,0,0,0,0|2,0,0]=4 6043 B10R0.4 COCCSCCOC(C)C 62a_100000211751_100000233755 [1,1,0,0,0,0|2,0,0]=4 6044 B10R0.4 COCCSCCOC(C)C 62a_100000233755_100000211751 [1,1,0,0,0,0|2,0,0]=4 6045 B10R0.4 COCCSCCSC(C)C 62a_100000233755_100000730970 [1,1,0,0,0,0|2,0,0]=4 6046 B10R0.4 COCCSCCSC(C)C 62a_100000730970_100000233755 [1,1,0,0,0,0|2,0,0]=4 6047 B10R0.4 COCNCCCOC(C)C 2230a_100000737246_100000766300 [1,1,0,0,0,0|2,0,0]=4 6048 B10R0.4 COCSCCCCC(C)C 62a_100000766300_100011216152 [1,1,0,0,0,0|1,0,0]=3 6049 B10R0.4 COCSCCCCC(C)C 62a_100011216152_100000766300 [1,1,0,0,0,0|1,0,0]=3 6050 B10R0.4 COCSCCCCN(C)C 62a_100000766300_100000690147 [1,1,0,0,0,0|2,0,0]=4 6051 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [1,1,0,0,0,0|2,0,0]=4 6052 B10R0.4 CSCCCCOCC(C)C 34a_100011217163_100000210624 [1,1,0,0,0,0|1,1,0]=4 6053 B10R0.4 CSCCCCOCC(C)C 7a_100011217163_100000210760 [1,1,0,0,0,0|1,1,0]=4 6054 B10R0.4 CSCCCNCCC(C)C 2230a_100000749238_100000210312 [1,1,0,0,0,0|1,1,0]=4 6055 B10R0.4 CSCCCNCCC(C)C 269862a_100000749238_100000185833 [1,1,0,0,0,0|1,1,0]=4 6056 B10R0.4 CSCCCOCCC(C)C 34a_100000690336_100000210312 [1,1,0,0,0,0|1,1,0]=4 6057 B10R0.4 CSCCCOCCC(C)C 7a_100000690336_100000210626 [1,1,0,0,0,0|1,1,0]=4 6058 B10R0.4 CSCCNCCCC(C)C 2230a_100020590264_100011214892 [1,1,0,0,0,0|1,1,0]=4 6059 B10R0.4 CSCCNCCCC(C)C 2230a_200000737386_100000751147 [1,1,0,0,0,0|1,1,0]=4 6060 B10R0.4 CSCCNCCCC(C)C 34a_200000737386_100000212216 [1,1,0,0,0,0|1,1,0]=4 6061 B10R0.4 CSCCOCCCC(C)C 34a_100000210774_100000212216 [1,1,0,0,0,0|1,1,0]=4 6062 B10R0.4 CSCCOCCCC(C)C 34a_100000230434_100011214892 [1,1,0,0,0,0|1,1,0]=4 6063 B10R0.4 CSCCOCCCC(C)C 7a_100000210774_100000212216 [1,1,0,0,0,0|1,1,0]=4 6064 B10R0.4 CSCCOCCCC(C)C 7a_100000230434_100011214892 [1,1,0,0,0,0|1,1,0]=4 6065 B10R0.4 CSCCSCCCC(C)C 62a_100000212216_100011214892 [1,1,0,0,0,0|1,1,0]=4 6066 B10R0.4 CSCCSCCCC(C)C 62a_100011214892_100000751147 [1,1,0,0,0,0|1,1,0]=4 6067 B10R0.4 CSCOCCCCC(C)C 34a_100011214890_100011218213 [1,1,0,0,0,0|1,1,0]=4 6068 B10R0.4 CSCSCCCCC(C)C 62a_100011216152_100011218213 [1,1,0,0,0,0|1,1,0]=4 6069 B10R0.4 CSCSCCCCC(C)C 62a_100011218213_100011216152 [1,1,0,0,0,0|1,1,0]=4 6070 B10R0.4 C[C@@H](Cl)COCCCCCF 34a_100016084084_100000729378 [1,1,0,0,0,0|2,0,0]=4 6071 B10R0.4 C[C@@H](Cl)COCCCCCO 34a_100016084084_100000746330 [1,1,0,0,0,0|1,0,0]=3 6072 B10R0.4 C[C@@H](Cl)COCCOCCO 34a_100016084084_100000692535 [1,1,0,0,0,0|2,0,0]=4 6073 B10R0.4 C[C@@H](N)CCOCCCCF 34a_100000706166_100000729493 [1,1,0,0,0,0|2,0,0]=4 6074 B10R0.4 C[C@@H](N)CCOCCCCO 34a_100000706166_100011216708 [1,1,0,0,0,0|1,0,0]=3 6075 B10R0.4 C[C@@H](N)COCCCCCF 34a_100000737577_100000729378 [1,1,0,0,0,0|2,0,0]=4 6076 B10R0.4 C[C@@H](N)COCCCCCO 34a_100000737577_100000746330 [1,1,0,0,0,0|1,0,0]=3 6077 B10R0.4 C[C@@H](N)COCCOCCO 34a_100000737577_100000692535 [1,1,0,0,0,0|2,0,0]=4 6078 B10R0.4 C[C@@H](O)CNCCCCCO 2230a_100000762737_100009817552 [1,1,0,0,0,0|1,0,0]=3 6079 B10R0.4 C[C@@H](O)CNCCCCCO 34a_100000762737_100009817552 [1,1,0,0,0,0|1,0,0]=3 6080 B10R0.4 C[C@@H](O)CNCCOCCO 2230a_100000211614_100009817552 [1,1,0,0,0,0|2,0,0]=4 6081 B10R0.4 C[C@@H](O)CNCCOCCO 34a_100000211614_100009817552 [1,1,0,0,0,0|2,0,0]=4 6082 B10R0.4 C[C@@H](O)CNCCSCCO 2230a_100011219999_100009817552 [1,1,0,0,0,0|2,0,0]=4 6083 B10R0.4 C[C@@H](O)COCCCCCBr 34a_100000746331_100009817552 [1,1,0,0,0,0|2,0,0]=4 6084 B10R0.4 C[C@@H](O)COCCCCCBr 7a_100000746331_100009817552 [1,1,0,0,0,0|2,0,0]=4 6085 B10R0.4 C[C@@H](O)COCCCCCCl 34a_100000746330_100009817552 [1,1,0,0,0,0|2,0,0]=4 6086 B10R0.4 C[C@@H](O)COCCCCCCl 7a_100000746330_100009817552 [1,1,0,0,0,0|2,0,0]=4 6087 B10R0.4 C[C@@H](O)COCCCCCI 34a_200012148887_100009817552 [1,1,0,0,0,0|2,0,0]=4 6088 B10R0.4 C[C@@H](O)COCCCCCI 7a_200012148887_100009817552 [1,1,0,0,0,0|2,0,0]=4 6089 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [1,1,0,0,0,0|2,0,0]=4 6090 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100000729378_100009817552 [1,1,0,0,0,0|2,0,0]=4 6091 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100009817552_100000729378 [1,1,0,0,0,0|2,0,0]=4 6092 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100000746330_100009817552 [1,1,0,0,0,0|1,0,0]=3 6093 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100009817552_100000746330 [1,1,0,0,0,0|1,0,0]=3 6094 B10R0.4 C[C@@H](O)CSCCOCCO 62a_100009817552_100011215305 [1,1,0,0,0,0|2,0,0]=4 6095 B10R0.4 C[C@@H](O)CSCCOCCO 62a_100011215305_100009817552 [1,1,0,0,0,0|2,0,0]=4 6096 B10R0.4 OCCCCCNCC(F)F 2230a_100000762737_100011934356 [1,1,0,0,0,0|2,0,0]=4 6097 B10R0.4 OCCCCCNCC(F)F 34a_100000762737_100011934356 [1,1,0,0,0,0|2,0,0]=4 6098 B10R0.4 OCCCCCNCC(F)F 34a_100000765723_100000746330 [1,1,0,0,0,0|2,0,0]=4 6099 B10R0.4 OCCCCCOCC(F)F 34a_100000743014_100000746330 [1,1,0,0,0,0|2,0,0]=4 6100 B10R0.4 OCCCCCSCC(F)F 62a_100000746330_100011934356 [1,1,0,0,0,0|2,0,0]=4 6101 B10R0.4 OCCCCCSCC(F)F 62a_100011934356_100000746330 [1,1,0,0,0,0|2,0,0]=4 6102 B10R0.4 OCCCCOCCC(F)F 34a_100103093639_100011216708 [1,1,0,0,0,0|2,0,0]=4 6103 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,1,0,0,0,0|1,0,1]=4 6104 B10R0.6 CC(C)CC(=O)CCCCF 1458a_100000210554_100000729493 [1,1,0,0,0,0|1,0,1]=4 6105 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [1,1,0,0,0,0|0,0,1]=3 6106 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [1,1,0,0,0,0|0,0,1]=3 6107 B10R0.6 CC(C)CC(=O)COCCO 1458a_100000708028_100000210624 [1,1,0,0,0,0|1,0,1]=4 6108 B10R0.6 CC(C)CC(=O)NCCCO 240690a_100000182051_100000210554 [1,1,0,0,0,0|1,0,1]=4 6109 B10R0.6 CC(C)CC(=O)NCCCO 527a_100000182051_100000210554 [1,1,0,0,0,0|1,0,1]=4 6110 B10R0.6 CC(C)CC(C)NCCCF 2230a_100000692259_100011934791 [1,1,0,0,0,0|2,0,0]=4 6111 B10R0.6 CC(C)CC(C)NCCCF 2230a_100015189416_100000731052 [1,1,0,0,0,0|2,0,0]=4 6112 B10R0.6 CC(C)CC(C)NCCCF 34a_100015189416_100000731052 [1,1,0,0,0,0|2,0,0]=4 6113 B10R0.6 CC(C)CC(C)NCCCO 2230a_100000692259_100000230001 [1,1,0,0,0,0|1,0,0]=3 6114 B10R0.6 CC(C)CC(C)OCCCBr 34a_100011217188_100000731052 [1,1,0,0,0,0|2,0,0]=4 6115 B10R0.6 CC(C)CC(C)OCCCCl 34a_100000230001_100000731052 [1,1,0,0,0,0|2,0,0]=4 6116 B10R0.6 CC(C)CC(C)OCCCF 34a_100000211805_100011934791 [1,1,0,0,0,0|2,0,0]=4 6117 B10R0.6 CC(C)CC(C)OCCCF 34a_100000759539_100000731052 [1,1,0,0,0,0|2,0,0]=4 6118 B10R0.6 CC(C)CC(C)OCCCF 7a_100000211805_100011934791 [1,1,0,0,0,0|2,0,0]=4 6119 B10R0.6 CC(C)CC(C)OCCCN 34a_100000182051_100000731052 [1,1,0,0,0,0|2,0,0]=4 6120 B10R0.6 CC(C)CC(C)OCCCO 34a_100000211805_100000230001 [1,1,0,0,0,0|1,0,0]=3 6121 B10R0.6 CC(C)CC(C)OCCCO 7a_100000211805_100011215043 [1,1,0,0,0,0|1,0,0]=3 6122 B10R0.6 CC(C)CC(C)SCCCF 62a_100000731052_100011934791 [1,1,0,0,0,0|2,0,0]=4 6123 B10R0.6 CC(C)CC(C)SCCCF 62a_100011934791_100000731052 [1,1,0,0,0,0|2,0,0]=4 6124 B10R0.6 CC(C)CC(C)SCCCO 62a_100000731052_100011215043 [1,1,0,0,0,0|1,0,0]=3 6125 B10R0.6 CC(C)CC(C)SCCCO 62a_100011215043_100000731052 [1,1,0,0,0,0|1,0,0]=3 6126 B10R0.6 CC(C)CN(C)CCCCF 2230a_100000747067_100000729493 [1,1,0,0,0,0|2,0,0]=4 6127 B10R0.6 CC(C)CN(C)CCCCF 269982a_100000747067_100000729493 [1,1,0,0,0,0|2,0,0]=4 6128 B10R0.6 CC(C)CN(C)CCCCO 2230a_100000717598_100000210760 [1,1,0,0,0,0|1,0,0]=3 6129 B10R0.6 CC(C)CN(C)CCCCO 2230a_100000747067_100000210776 [1,1,0,0,0,0|1,0,0]=3 6130 B10R0.6 CC(C)CN(C)CCCCO 269982a_100000717598_100000210624 [1,1,0,0,0,0|1,0,0]=3 6131 B10R0.6 CC(C)CN(C)CCCCO 269982a_100000747067_100000210776 [1,1,0,0,0,0|1,0,0]=3 6132 B10R0.6 CC(C)CN(C)CCCCO 270004a_100000717598_100000210432 [1,1,0,0,0,0|1,0,0]=3 6133 B10R0.6 CC(C)C[C@H](N)CCOCF 34a_100161151251_100015361967 [1,1,0,0,0,0|2,0,0]=4 6134 B10R0.6 CC(C)C[C@H](N)COCCF 34a_100011830311_100011217306 [1,1,0,0,0,0|2,0,0]=4 6135 B10R0.6 CC(C)C[C@H](N)COCCO 34a_100011830311_100000211926 [1,1,0,0,0,0|1,0,0]=3 6136 B10R0.6 CC(C)NC(=O)CCCCO 1626a_100138425928_100000695505 [1,1,0,0,0,0|1,0,1]=4 6137 B10R0.6 CC(CN(C)C)SCCCO 62a_100011215043_100020606517 [1,1,0,0,0,0|2,0,0]=4 6138 B10R0.6 CC(CN(C)C)SCCCO 62a_100020606517_100011215043 [1,1,0,0,0,0|2,0,0]=4 6139 B10R0.6 CC(CNCCO)CN(C)C 2230a_100016997473_100015348159 [1,1,0,0,0,0|2,0,0]=4 6140 B10R0.6 CC(CSCCO)CN(C)C 62a_100000211926_100015348159 [1,1,0,0,0,0|2,0,0]=4 6141 B10R0.6 CC(CSCCO)CN(C)C 62a_100015348159_100000211926 [1,1,0,0,0,0|2,0,0]=4 6142 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [1,1,0,0,0,0|1,0,1]=4 6143 B10R0.6 CC(O)CN(C)CCCCO 2230a_100000227577_100000210776 [1,1,0,0,0,0|2,0,0]=4 6144 B10R0.6 CC(O)CN(C)CCCCO 2230a_100000717598_100011218427 [1,1,0,0,0,0|2,0,0]=4 6145 B10R0.6 CC(O)CN(C)CCCCO 269982a_100000227577_100000210776 [1,1,0,0,0,0|2,0,0]=4 6146 B10R0.6 CC(O)CN(C)CCCCO 269982a_100000717598_100011218427 [1,1,0,0,0,0|2,0,0]=4 6147 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [1,1,0,0,0,0|1,0,1]=4 6148 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [1,1,0,0,0,0|1,0,1]=4 6149 B10R0.6 CCCCCC(C)NC(C)C 2230a_100000211957_100000210206 [1,1,0,0,0,0|2,0,0]=4 6150 B10R0.6 CCCCCC(C)NC(C)C 2230a_100138425928_200011218191 [1,1,0,0,0,0|2,0,0]=4 6151 B10R0.6 CCCCCC(C)NC(C)C 34a_100138425928_200011218191 [1,1,0,0,0,0|2,0,0]=4 6152 B10R0.6 CCCCCC(C)OC(C)C 34a_100000212225_200011218191 [1,1,0,0,0,0|2,0,0]=4 6153 B10R0.6 CCCCCC(C)OC(C)C 34a_100011215632_100000210206 [1,1,0,0,0,0|2,0,0]=4 6154 B10R0.6 CCCCCC(C)OC(C)C 7a_100011215632_100000210206 [1,1,0,0,0,0|2,0,0]=4 6155 B10R0.6 CCCCCC(C)SC(C)C 62a_100000210206_200011218191 [1,1,0,0,0,0|2,0,0]=4 6156 B10R0.6 CCCCCC(C)SC(C)C 62a_200011218191_100000210206 [1,1,0,0,0,0|2,0,0]=4 6157 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000223495_100000210760 [1,1,0,0,0,0|2,0,0]=4 6158 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000747067_100000210326 [1,1,0,0,0,0|2,0,0]=4 6159 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000223495_100000210624 [1,1,0,0,0,0|2,0,0]=4 6160 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000747067_100000210215 [1,1,0,0,0,0|2,0,0]=4 6161 B10R0.6 CCCCCN(C)CC(C)C 270004a_100000223495_100000210432 [1,1,0,0,0,0|2,0,0]=4 6162 B10R0.6 CCCCNC(C)CC(C)C 2230a_100000102301_100000731052 [1,1,0,0,0,0|2,0,0]=4 6163 B10R0.6 CCCCNC(C)CC(C)C 2230a_100000692259_100000210211 [1,1,0,0,0,0|2,0,0]=4 6164 B10R0.6 CCCCNC(C)CC(C)C 7a_106832991798_100000731052 [1,1,0,0,0,0|2,0,0]=4 6165 B10R0.6 CCCCOC(C)CC(C)C 34a_100000210227_100000731052 [1,1,0,0,0,0|2,0,0]=4 6166 B10R0.6 CCCCOC(C)CC(C)C 34a_100000211805_100000210210 [1,1,0,0,0,0|2,0,0]=4 6167 B10R0.6 CCCCOC(C)CC(C)C 7a_100000210227_100000731052 [1,1,0,0,0,0|2,0,0]=4 6168 B10R0.6 CCCCOC(C)CC(C)C 7a_100000211805_100000210211 [1,1,0,0,0,0|2,0,0]=4 6169 B10R0.6 CCCCSC(C)CC(C)C 62a_100000210211_100000731052 [1,1,0,0,0,0|2,0,0]=4 6170 B10R0.6 CCCCSC(C)CC(C)C 62a_100000731052_100000210210 [1,1,0,0,0,0|2,0,0]=4 6171 B10R0.6 CCCOC[C@@H](N)CC(C)C 34a_100011830311_100000210303 [1,1,0,0,0,0|2,0,0]=4 6172 B10R0.6 CCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210202 [1,1,0,0,0,0|2,0,0]=4 6173 B10R0.6 CN(C)CC(=O)CCCCO 1458a_100000750896_100000210776 [1,1,0,0,0,0|1,0,1]=4 6174 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [1,1,0,0,0,0|1,0,1]=4 6175 B10R0.6 C[C@@H](O)CN(C)CCCCO 2230a_100000717598_100009817552 [1,1,0,0,0,0|2,0,0]=4 6176 B10R0.6 C[C@@H](O)CN(C)CCCCO 269982a_100000717598_100009817552 [1,1,0,0,0,0|2,0,0]=4 6177 B10R0.6 C[S+](C)CC(=O)CCCCO 1458a_200159257847_100000210776 [1,1,0,0,0,0|1,0,1]=4 6178 B10R0.22 CC(C)(C)CCNCCCF 2230a_100000738805_100011934791 [1,1,0,0,0,0|2,0,0]=4 6179 B10R0.22 CC(C)(C)CCNCCCF 2230a_100015189416_100000755188 [1,1,0,0,0,0|2,0,0]=4 6180 B10R0.22 CC(C)(C)CCNCCCF 34a_100015189416_100000755188 [1,1,0,0,0,0|2,0,0]=4 6181 B10R0.22 CC(C)(C)CCNCCCO 2230a_100000738805_100000230001 [1,1,0,0,0,0|1,0,0]=3 6182 B10R0.22 CC(C)(C)CCOCCCBr 34a_100011217188_100000755188 [1,1,0,0,0,0|2,0,0]=4 6183 B10R0.22 CC(C)(C)CCOCCCCl 34a_100000230001_100000755188 [1,1,0,0,0,0|2,0,0]=4 6184 B10R0.22 CC(C)(C)CCOCCCF 34a_100000759539_100000755188 [1,1,0,0,0,0|2,0,0]=4 6185 B10R0.22 CC(C)(C)CCOCCCF 7a_100000765024_100011934791 [1,1,0,0,0,0|2,0,0]=4 6186 B10R0.22 CC(C)(C)CCOCCCN 34a_100000182051_100000755188 [1,1,0,0,0,0|2,0,0]=4 6187 B10R0.22 CC(C)(C)CCOCCCO 7a_100000765024_100011215043 [1,1,0,0,0,0|1,0,0]=3 6188 B10R0.22 CC(C)(C)CCSCCCF 62a_100000755188_100011934791 [1,1,0,0,0,0|2,0,0]=4 6189 B10R0.22 CC(C)(C)CCSCCCF 62a_100011934791_100000755188 [1,1,0,0,0,0|2,0,0]=4 6190 B10R0.22 CC(C)(C)CCSCCCO 62a_100000755188_100011215043 [1,1,0,0,0,0|1,0,0]=3 6191 B10R0.22 CC(C)(C)CCSCCCO 62a_100011215043_100000755188 [1,1,0,0,0,0|1,0,0]=3 6192 B10R0.22 CC(C)(C)CNCCCCF 2230a_100000743828_100000729493 [1,1,0,0,0,0|2,0,0]=4 6193 B10R0.22 CC(C)(C)CNCCCCO 2230a_100000743828_100000210776 [1,1,0,0,0,0|1,0,0]=3 6194 B10R0.22 CC(C)(C)CNCCCCO 270004a_100000750430_100011204126 [1,1,0,0,0,0|1,0,0]=3 6195 B10R0.22 CC(C)(C)CNCCCCO 34a_100000750430_100011219605 [1,1,0,0,0,0|1,0,0]=3 6196 B10R0.22 CC(C)(C)COCCCCBr 34a_100011216708_100011219605 [1,1,0,0,0,0|2,0,0]=4 6197 B10R0.22 CC(C)(C)COCCCCCl 34a_100000210776_100011219605 [1,1,0,0,0,0|2,0,0]=4 6198 B10R0.22 CC(C)(C)COCCCCF 34a_100011995726_100011219605 [1,1,0,0,0,0|2,0,0]=4 6199 B10R0.22 CC(C)(C)COCCCCI 34a_200012148704_100011219605 [1,1,0,0,0,0|2,0,0]=4 6200 B10R0.22 CC(C)(C)COCCCCN 34a_100000750430_100011219605 [1,1,0,0,0,0|2,0,0]=4 6201 B10R0.22 CC(C)(C)CSCCCCF 62a_100000729493_100011219605 [1,1,0,0,0,0|2,0,0]=4 6202 B10R0.22 CC(C)(C)CSCCCCF 62a_100011219605_100000729493 [1,1,0,0,0,0|2,0,0]=4 6203 B10R0.22 CC(C)(C)CSCCCCO 62a_100000210776_100011219605 [1,1,0,0,0,0|1,0,0]=3 6204 B10R0.22 CC(C)(C)CSCCCCO 62a_100011219605_100000210776 [1,1,0,0,0,0|1,0,0]=3 6205 B10R0.22 CC(C)(C)NCCCCCF 2230a_100000715429_100000729378 [1,1,0,0,0,0|2,0,0]=4 6206 B10R0.22 CC(C)(C)NCCCCCO 2230a_100000715429_100000746330 [1,1,0,0,0,0|1,0,0]=3 6207 B10R0.22 CC(C)(C)NCCCCCO 34a_100000762737_100000210625 [1,1,0,0,0,0|1,0,0]=3 6208 B10R0.22 CC(C)(C)NCCOCCO 2230a_100000715429_100011215305 [1,1,0,0,0,0|2,0,0]=4 6209 B10R0.22 CC(C)(C)NCCOCCO 34a_100000211614_100000210625 [1,1,0,0,0,0|2,0,0]=4 6210 B10R0.22 CC(C)(C)OCCCCCBr 34a_100000746331_100000210625 [1,1,0,0,0,0|2,0,0]=4 6211 B10R0.22 CC(C)(C)OCCCCCCl 34a_100000746330_100000210625 [1,1,0,0,0,0|2,0,0]=4 6212 B10R0.22 CC(C)(C)OCCCCCF 34a_100015890283_100000729378 [1,1,0,0,0,0|2,0,0]=4 6213 B10R0.22 CC(C)(C)OCCCCCF 7a_100015890283_100000729378 [1,1,0,0,0,0|2,0,0]=4 6214 B10R0.22 CC(C)(C)OCCCCCI 34a_200012148887_100000210625 [1,1,0,0,0,0|2,0,0]=4 6215 B10R0.22 CC(C)(C)OCCCCCN 34a_100000762737_100000210625 [1,1,0,0,0,0|2,0,0]=4 6216 B10R0.22 CC(C)(C)OCCCCCO 34a_100015890283_100000746330 [1,1,0,0,0,0|1,0,0]=3 6217 B10R0.22 CC(C)(C)OCCCCCO 7a_100015890283_100000746330 [1,1,0,0,0,0|1,0,0]=3 6218 B10R0.22 CC(C)(C)OCCNCCO 2230a_100000747557_100000211926 [1,1,0,0,0,0|2,0,0]=4 6219 B10R0.22 CC(C)(C)OCCOCCO 34a_100000693234_100000211926 [1,1,0,0,0,0|2,0,0]=4 6220 B10R0.22 CC(C)(C)OCCOCCO 34a_100015890283_100000692535 [1,1,0,0,0,0|2,0,0]=4 6221 B10R0.22 CC(C)(C)OCCOCCO 7a_100000693234_100000211926 [1,1,0,0,0,0|2,0,0]=4 6222 B10R0.22 CC(C)(C)OCCOCCO 7a_100015890283_100011215305 [1,1,0,0,0,0|2,0,0]=4 6223 B10R0.22 CC(C)(C)SCCCCCF 62a_100000211941_100000729378 [1,1,0,0,0,0|2,0,0]=4 6224 B10R0.22 CC(C)(C)SCCCCCF 62a_100000729378_100000211941 [1,1,0,0,0,0|2,0,0]=4 6225 B10R0.22 CC(C)(C)SCCCCCO 62a_100000211941_100000746330 [1,1,0,0,0,0|1,0,0]=3 6226 B10R0.22 CC(C)(C)SCCCCCO 62a_100000746330_100000211941 [1,1,0,0,0,0|1,0,0]=3 6227 B10R0.22 CC(C)(C)SCCNCCO 2230a_100000689375_100000211926 [1,1,0,0,0,0|2,0,0]=4 6228 B10R0.22 CC(C)(C)SCCOCCO 62a_100000211941_100011215305 [1,1,0,0,0,0|2,0,0]=4 6229 B10R0.22 CC(C)(C)SCCOCCO 62a_100011215305_100000211941 [1,1,0,0,0,0|2,0,0]=4 6230 B10R0.22 CC(C)(F)CCNCCCF 2230a_100016253952_100011934791 [1,1,0,0,0,0|2,0,0]=4 6231 B10R0.22 CC(C)(F)CCNCCCO 2230a_100016253952_100000230001 [1,1,0,0,0,0|1,0,0]=3 6232 B10R0.22 CC(C)(F)CNCCCCF 2230a_100020643315_100000729493 [1,1,0,0,0,0|2,0,0]=4 6233 B10R0.22 CC(C)(F)CNCCCCO 2230a_100020643315_100000210776 [1,1,0,0,0,0|1,0,0]=3 6234 B10R0.22 CC(C)(F)CNCCCCO 34a_100000750430_100011997219 [1,1,0,0,0,0|1,0,0]=3 6235 B10R0.22 CC(C)(F)COCCCCBr 34a_100011216708_100011997219 [1,1,0,0,0,0|2,0,0]=4 6236 B10R0.22 CC(C)(F)COCCCCCl 34a_100000210776_100011997219 [1,1,0,0,0,0|2,0,0]=4 6237 B10R0.22 CC(C)(F)COCCCCF 34a_100000716592_100000729493 [1,1,0,0,0,0|2,0,0]=4 6238 B10R0.22 CC(C)(F)COCCCCF 34a_100011995726_100011997219 [1,1,0,0,0,0|2,0,0]=4 6239 B10R0.22 CC(C)(F)COCCCCI 34a_200012148704_100011997219 [1,1,0,0,0,0|2,0,0]=4 6240 B10R0.22 CC(C)(F)COCCCCN 34a_100000750430_100011997219 [1,1,0,0,0,0|2,0,0]=4 6241 B10R0.22 CC(C)(F)COCCCCO 34a_100000716592_100011216708 [1,1,0,0,0,0|1,0,0]=3 6242 B10R0.22 CC(C)(F)CSCCCCF 62a_100000729493_100011997219 [1,1,0,0,0,0|2,0,0]=4 6243 B10R0.22 CC(C)(F)CSCCCCF 62a_100011997219_100000729493 [1,1,0,0,0,0|2,0,0]=4 6244 B10R0.22 CC(C)(F)CSCCCCO 62a_100000210776_100011997219 [1,1,0,0,0,0|1,0,0]=3 6245 B10R0.22 CC(C)(F)CSCCCCO 62a_100011997219_100000210776 [1,1,0,0,0,0|1,0,0]=3 6246 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_100010402123_200025704644 [1,1,0,0,0,0|2,0,0]=4 6247 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_200025704644_100010402123 [1,1,0,0,0,0|2,0,0]=4 6248 B10R0.22 CC(C)(O)CCCNCCF 34a_100000724931_100009888830 [1,1,0,0,0,0|2,0,0]=4 6249 B10R0.22 CC(C)(O)CCCNCCO 2230a_100016997473_100009888830 [1,1,0,0,0,0|1,0,0]=3 6250 B10R0.22 CC(C)(O)CCCNCCO 34a_100016990907_100009888830 [1,1,0,0,0,0|1,0,0]=3 6251 B10R0.22 CC(C)(O)CCCOCCBr 34a_100000211926_100009888830 [1,1,0,0,0,0|2,0,0]=4 6252 B10R0.22 CC(C)(O)CCCOCCN 34a_100000210304_100009888830 [1,1,0,0,0,0|2,0,0]=4 6253 B10R0.22 CC(C)(O)CCCSCCF 62a_100009888830_100011217306 [1,1,0,0,0,0|2,0,0]=4 6254 B10R0.22 CC(C)(O)CCCSCCF 62a_100011217306_100009888830 [1,1,0,0,0,0|2,0,0]=4 6255 B10R0.22 CC(C)(O)CCCSCCO 62a_100000211926_100009888830 [1,1,0,0,0,0|1,0,0]=3 6256 B10R0.22 CC(C)(O)CCCSCCO 62a_100009888830_100000211926 [1,1,0,0,0,0|1,0,0]=3 6257 B10R0.22 CC(C)(O)CCNCCCF 2230a_100015189416_100000702414 [1,1,0,0,0,0|2,0,0]=4 6258 B10R0.22 CC(C)(O)CCNCCCF 34a_100015189416_100000702414 [1,1,0,0,0,0|2,0,0]=4 6259 B10R0.22 CC(C)(O)CCOCCCBr 34a_100011217188_100000702414 [1,1,0,0,0,0|2,0,0]=4 6260 B10R0.22 CC(C)(O)CCOCCCCl 34a_100000230001_100000702414 [1,1,0,0,0,0|2,0,0]=4 6261 B10R0.22 CC(C)(O)CCOCCCF 34a_100000759539_100000702414 [1,1,0,0,0,0|2,0,0]=4 6262 B10R0.22 CC(C)(O)CCOCCCN 34a_100000182051_100000702414 [1,1,0,0,0,0|2,0,0]=4 6263 B10R0.22 CC(C)(O)CCSCCCF 62a_100000702414_100011934791 [1,1,0,0,0,0|2,0,0]=4 6264 B10R0.22 CC(C)(O)CCSCCCF 62a_100011934791_100000702414 [1,1,0,0,0,0|2,0,0]=4 6265 B10R0.22 CC(C)(O)CCSCCCO 62a_100000702414_100011215043 [1,1,0,0,0,0|1,0,0]=3 6266 B10R0.22 CC(C)(O)CCSCCCO 62a_100011215043_100000702414 [1,1,0,0,0,0|1,0,0]=3 6267 B10R0.22 CC(C)(O)CNCCCCF 2230a_100000751335_100000729493 [1,1,0,0,0,0|2,0,0]=4 6268 B10R0.22 CC(C)(O)CNCCCCO 2230a_100000751335_100000210776 [1,1,0,0,0,0|1,0,0]=3 6269 B10R0.22 CC(C)(O)CNCCCCO 34a_100000750430_100000764493 [1,1,0,0,0,0|1,0,0]=3 6270 B10R0.22 CC(C)(O)COCCCCBr 34a_100011216708_100000764493 [1,1,0,0,0,0|2,0,0]=4 6271 B10R0.22 CC(C)(O)COCCCCCl 34a_100000210776_100000764493 [1,1,0,0,0,0|2,0,0]=4 6272 B10R0.22 CC(C)(O)COCCCCCl 7a_100000210776_100000764493 [1,1,0,0,0,0|2,0,0]=4 6273 B10R0.22 CC(C)(O)COCCCCF 34a_100011995726_100000764493 [1,1,0,0,0,0|2,0,0]=4 6274 B10R0.22 CC(C)(O)COCCCCF 7a_100011995726_100000764493 [1,1,0,0,0,0|2,0,0]=4 6275 B10R0.22 CC(C)(O)COCCCCI 34a_200012148704_100000764493 [1,1,0,0,0,0|2,0,0]=4 6276 B10R0.22 CC(C)(O)COCCCCN 34a_100000750430_100000764493 [1,1,0,0,0,0|2,0,0]=4 6277 B10R0.22 CC(C)(O)CSCCCCF 62a_100000729493_100000764493 [1,1,0,0,0,0|2,0,0]=4 6278 B10R0.22 CC(C)(O)CSCCCCF 62a_100000764493_100000729493 [1,1,0,0,0,0|2,0,0]=4 6279 B10R0.22 CC(C)(O)CSCCCCO 62a_100000210776_100000764493 [1,1,0,0,0,0|1,0,0]=3 6280 B10R0.22 CC(C)(O)CSCCCCO 62a_100000764493_100000210776 [1,1,0,0,0,0|1,0,0]=3 6281 B10R0.22 CC(F)(F)COCCCCO 34a_100000068830_100011216708 [1,1,0,0,0,0|2,0,0]=4 6282 B10R0.22 CCCCCCNC(C)(C)C 2230a_100000715429_100000210314 [1,1,0,0,0,0|2,0,0]=4 6283 B10R0.22 CCCCCCOC(C)(C)C 34a_100000210259_100000210625 [1,1,0,0,0,0|2,0,0]=4 6284 B10R0.22 CCCCCCOC(C)(C)C 34a_100015890283_100000210314 [1,1,0,0,0,0|2,0,0]=4 6285 B10R0.22 CCCCCCOC(C)(C)C 7a_100015890283_100000210314 [1,1,0,0,0,0|2,0,0]=4 6286 B10R0.22 CCCCCCSC(C)(C)C 62a_100000210314_100000211941 [1,1,0,0,0,0|2,0,0]=4 6287 B10R0.22 CCCCCCSC(C)(C)C 62a_100000211941_100000210757 [1,1,0,0,0,0|2,0,0]=4 6288 B10R0.22 CCCCCNCC(C)(C)C 2230a_100000743828_100000210326 [1,1,0,0,0,0|2,0,0]=4 6289 B10R0.22 CCCCCNCC(C)(C)C 270004a_100000209983_100011204126 [1,1,0,0,0,0|2,0,0]=4 6290 B10R0.22 CCCCCNCC(C)(C)F 2230a_100020643315_100000210326 [1,1,0,0,0,0|2,0,0]=4 6291 B10R0.22 CCCCCNCC(C)(C)O 2230a_100000751335_100000210326 [1,1,0,0,0,0|2,0,0]=4 6292 B10R0.22 CCCCCOCC(C)(C)C 34a_100000210253_100011219605 [1,1,0,0,0,0|2,0,0]=4 6293 B10R0.22 CCCCCOCC(C)(C)F 34a_100000210253_100011997219 [1,1,0,0,0,0|2,0,0]=4 6294 B10R0.22 CCCCCOCC(C)(C)F 34a_100000716592_100000718602 [1,1,0,0,0,0|2,0,0]=4 6295 B10R0.22 CCCCCOCC(C)(C)O 34a_100000210253_100000764493 [1,1,0,0,0,0|2,0,0]=4 6296 B10R0.22 CCCCCOCC(C)(C)O 7a_100000210253_100000764493 [1,1,0,0,0,0|2,0,0]=4 6297 B10R0.22 CCCCCSCC(C)(C)C 62a_100000210326_100011219605 [1,1,0,0,0,0|2,0,0]=4 6298 B10R0.22 CCCCCSCC(C)(C)C 62a_100011219605_100000210326 [1,1,0,0,0,0|2,0,0]=4 6299 B10R0.22 CCCCCSCC(C)(C)F 62a_100000210326_100011997219 [1,1,0,0,0,0|2,0,0]=4 6300 B10R0.22 CCCCCSCC(C)(C)F 62a_100011997219_100000210326 [1,1,0,0,0,0|2,0,0]=4 6301 B10R0.22 CCCCCSCC(C)(C)O 62a_100000210326_100000764493 [1,1,0,0,0,0|2,0,0]=4 6302 B10R0.22 CCCCCSCC(C)(C)O 62a_100000764493_100000210326 [1,1,0,0,0,0|2,0,0]=4 6303 B10R0.22 CCCCNCCC(C)(C)C 2230a_100000102301_100000755188 [1,1,0,0,0,0|2,0,0]=4 6304 B10R0.22 CCCCNCCC(C)(C)C 2230a_100000738805_100000210211 [1,1,0,0,0,0|2,0,0]=4 6305 B10R0.22 CCCCNCCC(C)(C)C 7a_106832991798_100000755188 [1,1,0,0,0,0|2,0,0]=4 6306 B10R0.22 CCCCNCCC(C)(C)F 2230a_100016253952_100000210211 [1,1,0,0,0,0|2,0,0]=4 6307 B10R0.22 CCCCNCCC(C)(C)O 2230a_100000102301_100000702414 [1,1,0,0,0,0|2,0,0]=4 6308 B10R0.22 CCCCNCCC(C)(C)O 7a_106832991798_100000702414 [1,1,0,0,0,0|2,0,0]=4 6309 B10R0.22 CCCCOCCC(C)(C)C 34a_100000210227_100000755188 [1,1,0,0,0,0|2,0,0]=4 6310 B10R0.22 CCCCOCCC(C)(C)C 7a_100000210227_100000755188 [1,1,0,0,0,0|2,0,0]=4 6311 B10R0.22 CCCCOCCC(C)(C)C 7a_100000765024_100000210211 [1,1,0,0,0,0|2,0,0]=4 6312 B10R0.22 CCCCOCCC(C)(C)O 34a_100000210227_100000702414 [1,1,0,0,0,0|2,0,0]=4 6313 B10R0.22 CCCCOCCC(C)(C)O 7a_100000210227_100000702414 [1,1,0,0,0,0|2,0,0]=4 6314 B10R0.22 CCCCSCCC(C)(C)C 62a_100000210211_100000755188 [1,1,0,0,0,0|2,0,0]=4 6315 B10R0.22 CCCCSCCC(C)(C)C 62a_100000755188_100000210210 [1,1,0,0,0,0|2,0,0]=4 6316 B10R0.22 CCCCSCCC(C)(C)O 62a_100000210211_100000702414 [1,1,0,0,0,0|2,0,0]=4 6317 B10R0.22 CCCCSCCC(C)(C)O 62a_100000702414_100000210210 [1,1,0,0,0,0|2,0,0]=4 6318 B10R0.22 CCCOCCCC(C)(C)O 34a_100000210258_100009888830 [1,1,0,0,0,0|2,0,0]=4 6319 B10R0.22 CCCSCCCC(C)(C)O 62a_100000210303_100009888830 [1,1,0,0,0,0|2,0,0]=4 6320 B10R0.22 CCCSCCCC(C)(C)O 62a_100009888830_100000210303 [1,1,0,0,0,0|2,0,0]=4 6321 B10R0.22 CNCCCCCC(C)(C)O 2230a_106832991635_100010402123 [1,1,0,0,0,0|2,0,0]=4 6322 B10R0.22 CNCCCCCC(C)(C)O 34a_100102657272_100010402123 [1,1,0,0,0,0|2,0,0]=4 6323 B10R0.22 CNCCCCCC(C)(C)O 7a_106832991635_100010402123 [1,1,0,0,0,0|2,0,0]=4 6324 B10R0.22 COCCCCCC(C)(C)O 34a_100138415774_100010402123 [1,1,0,0,0,0|2,0,0]=4 6325 B10R0.22 CSCCCCCC(C)(C)O 62a_100010402123_200000210301 [1,1,0,0,0,0|2,0,0]=4 6326 B10R0.22 CSCCCCCC(C)(C)O 62a_200000210301_100010402123 [1,1,0,0,0,0|2,0,0]=4 6327 B10R0.22 C[N+](C)(C)CCCNCCO 2230a_100016997473_100016990835 [1,1,0,0,0,0|2,0,0]=4 6328 B10R0.22 C[N+](C)(C)CCCNCCO 34a_100016990907_100016990835 [1,1,0,0,0,0|2,0,0]=4 6329 B10R0.22 C[N+](C)(C)CCCSCCO 62a_100000211926_100016990835 [1,1,0,0,0,0|2,0,0]=4 6330 B10R0.22 C[N+](C)(C)CCCSCCO 62a_100016990835_100000211926 [1,1,0,0,0,0|2,0,0]=4 6331 B10R0.22 C[N+](C)(C)CCOCCCO 7a_200020618287_100011215043 [1,1,0,0,0,0|2,0,0]=4 6332 B10R0.22 C[N+](C)(C)CCSCCCO 62a_100000085578_100011215043 [1,1,0,0,0,0|2,0,0]=4 6333 B10R0.22 C[N+](C)(C)CCSCCCO 62a_100011215043_100000085578 [1,1,0,0,0,0|2,0,0]=4 6334 B10R0.22 C[N+](C)(C)CSCCCCO 62a_100000210776_200000036245 [1,1,0,0,0,0|2,0,0]=4 6335 B10R0.22 C[N+](C)(C)CSCCCCO 62a_200000036245_100000210776 [1,1,0,0,0,0|2,0,0]=4 6336 B10R0.22 C[Si](C)(C)CCCNCCO 2230a_100016997473_100011219597 [1,1,0,0,0,0|1,1,0]=4 6337 B10R0.22 C[Si](C)(C)CCCNCCO 34a_100016990907_100011219597 [1,1,0,0,0,0|1,1,0]=4 6338 B10R0.22 C[Si](C)(C)CCCOCCO 7a_200011215415_100000211926 [1,1,0,0,0,0|1,1,0]=4 6339 B10R0.22 C[Si](C)(C)CCCSCCO 62a_100000211926_100011219597 [1,1,0,0,0,0|1,1,0]=4 6340 B10R0.22 C[Si](C)(C)CCCSCCO 62a_100011219597_100000211926 [1,1,0,0,0,0|1,1,0]=4 6341 B10R0.22 C[Si](C)(C)CCOCCCO 7a_100000039746_100011215043 [1,1,0,0,0,0|1,1,0]=4 6342 B10R0.22 C[Si](C)(C)CCSCCCO 62a_100011215043_200000733723 [1,1,0,0,0,0|1,1,0]=4 6343 B10R0.22 C[Si](C)(C)CCSCCCO 62a_200000733723_100011215043 [1,1,0,0,0,0|1,1,0]=4 6344 B10R0.22 C[Si](C)(C)CNCCCCO 2230a_100000750430_100000037933 [1,1,0,0,0,0|1,1,0]=4 6345 B10R0.22 C[Si](C)(C)CSCCCCO 62a_100000037933_100000210776 [1,1,0,0,0,0|1,1,0]=4 6346 B10R0.22 C[Si](C)(C)CSCCCCO 62a_100000210776_100000037933 [1,1,0,0,0,0|1,1,0]=4 6347 B10R0.55 CC(Br)CCOCC(O)CO 34a_100009893172_100011219619 [1,1,0,0,0,0|2,0,0]=4 6348 B10R0.55 CC(Br)CCOC[C@@H](C)CO 34a_100009893172_100000059175 [1,1,0,0,0,0|2,0,0]=4 6349 B10R0.55 CC(Br)CCOC[C@@H](O)CO 34a_100009893172_100009815848 [1,1,0,0,0,0|2,0,0]=4 6350 B10R0.55 CC(C)CCCCC(=O)CF 1458a_100011933920_100015361967 [1,1,0,0,0,0|1,0,1]=4 6351 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [1,1,0,0,0,0|0,0,1]=3 6352 B10R0.55 CC(C)CCCNC(=O)CO 240690a_200000737386_100000210174 [1,1,0,0,0,0|1,0,1]=4 6353 B10R0.55 CC(C)CCCNC(=O)CO 527a_200000737386_100000210174 [1,1,0,0,0,0|1,0,1]=4 6354 B10R0.55 CC(C)CCCNC(C)CO 2230a_200000737386_100012180447 [1,1,0,0,0,0|1,0,0]=3 6355 B10R0.55 CC(C)CCCNC(C)CO 34a_200000737386_100012180447 [1,1,0,0,0,0|1,0,0]=3 6356 B10R0.55 CC(C)CCCN[C@H](C)CO 2230a_100000737577_100011214892 [1,1,0,0,0,0|1,0,0]=3 6357 B10R0.55 CC(C)CCCOC(C)CF 34a_100016041109_100011214892 [1,1,0,0,0,0|2,0,0]=4 6358 B10R0.55 CC(C)CCCOC(C)CF 7a_100016041109_100011214892 [1,1,0,0,0,0|2,0,0]=4 6359 B10R0.55 CC(C)CCCOC(C)CN 34a_100000210904_100011214892 [1,1,0,0,0,0|2,0,0]=4 6360 B10R0.55 CC(C)CCCOC(C)CO 34a_100000210774_100012180447 [1,1,0,0,0,0|1,0,0]=3 6361 B10R0.55 CC(C)CCCOC(C)CO 7a_100000210774_100012180447 [1,1,0,0,0,0|1,0,0]=3 6362 B10R0.55 CC(C)CCCSC(C)CO 62a_100012180447_100011214892 [1,1,0,0,0,0|1,0,0]=3 6363 B10R0.55 CC(C)CCCS[C@H](C)CO 62a_100011214892_100016084084 [1,1,0,0,0,0|1,0,0]=3 6364 B10R0.55 CC(C)CCCS[C@H](C)CO 62a_100016084084_100011214892 [1,1,0,0,0,0|1,0,0]=3 6365 B10R0.55 CC(C)CCNCC(C)CO 269862a_100000744482_100000185833 [1,1,0,0,0,0|1,0,0]=3 6366 B10R0.55 CC(C)CCNCC(C)CO 34a_100000744482_100000210312 [1,1,0,0,0,0|1,0,0]=3 6367 B10R0.55 CC(C)CCNC[C@@H](F)CO 269862a_100015665980_100000185833 [1,1,0,0,0,0|1,0,0]=3 6368 B10R0.55 CC(C)CCNC[C@@H](F)CO 34a_100015665980_100000210312 [1,1,0,0,0,0|1,0,0]=3 6369 B10R0.55 CC(C)CCNC[C@H](O)CO 2230a_100020644852_100000210312 [1,1,0,0,0,0|1,0,0]=3 6370 B10R0.55 CC(C)CCNC[C@H](O)CO 269862a_100020644852_100000185833 [1,1,0,0,0,0|1,0,0]=3 6371 B10R0.55 CC(C)CCOCC(C)CN 34a_100000744482_100000210312 [1,1,0,0,0,0|2,0,0]=4 6372 B10R0.55 CC(C)CCOCC(Cl)CCl 34a_100000033668_100000210312 [1,1,0,0,0,0|2,0,0]=4 6373 B10R0.55 CC(C)CCOCC(O)CO 34a_100000210254_100011219619 [1,1,0,0,0,0|1,0,0]=3 6374 B10R0.55 CC(C)CCOCC(O)CO 7a_100000210254_100011219619 [1,1,0,0,0,0|1,0,0]=3 6375 B10R0.55 CC(C)CCOC[C@@H](C)CO 34a_100000210254_100000059175 [1,1,0,0,0,0|1,0,0]=3 6376 B10R0.55 CC(C)CCOC[C@@H](C)CO 7a_100000210254_100000059175 [1,1,0,0,0,0|1,0,0]=3 6377 B10R0.55 CC(C)CCOC[C@@H](O)CF 34a_100000210254_100015614560 [1,1,0,0,0,0|2,0,0]=4 6378 B10R0.55 CC(C)CCOC[C@@H](O)CF 7a_100000210254_100015614560 [1,1,0,0,0,0|2,0,0]=4 6379 B10R0.55 CC(C)CCOC[C@@H](O)CO 34a_100000210254_100009815848 [1,1,0,0,0,0|1,0,0]=3 6380 B10R0.55 CC(C)CCOC[C@@H](O)CO 7a_100000210254_100009815848 [1,1,0,0,0,0|1,0,0]=3 6381 B10R0.55 CC(C)CCOC[C@H](F)CN 34a_100015665980_100000210312 [1,1,0,0,0,0|2,0,0]=4 6382 B10R0.55 CC(C)CCSCC(O)CO 62a_100000210312_100011219619 [1,1,0,0,0,0|1,0,0]=3 6383 B10R0.55 CC(C)CCSCC(O)CO 62a_100011219619_100000210312 [1,1,0,0,0,0|1,0,0]=3 6384 B10R0.55 CC(C)CCSC[C@@H](C)CO 62a_100000059175_100000210312 [1,1,0,0,0,0|1,0,0]=3 6385 B10R0.55 CC(C)CCSC[C@@H](C)CO 62a_100000210312_100000059175 [1,1,0,0,0,0|1,0,0]=3 6386 B10R0.55 CC(C)CCSC[C@@H](O)CF 62a_100000210312_100015614560 [1,1,0,0,0,0|2,0,0]=4 6387 B10R0.55 CC(C)CCSC[C@@H](O)CF 62a_100015614560_100000210312 [1,1,0,0,0,0|2,0,0]=4 6388 B10R0.55 CC(C)CCSC[C@@H](O)CO 62a_100000210312_100009815848 [1,1,0,0,0,0|1,0,0]=3 6389 B10R0.55 CC(C)CCSC[C@@H](O)CO 62a_100009815848_100000210312 [1,1,0,0,0,0|1,0,0]=3 6390 B10R0.55 CC(C)CNCCC(C)CO 2230a_106354213184_100000210760 [1,1,0,0,0,0|1,0,0]=3 6391 B10R0.55 CC(C)CNCCC(C)CO 270004a_106354213184_100000210432 [1,1,0,0,0,0|1,0,0]=3 6392 B10R0.55 CC(C)CNCCC(C)CO 34a_106354213184_100000210624 [1,1,0,0,0,0|1,0,0]=3 6393 B10R0.55 CC(C)NCCOC(C)CO 34a_100000224655_100012180447 [1,1,0,0,0,0|2,0,0]=4 6394 B10R0.55 CC(C)OCCC[C@@H](C)CN 34a_100160569302_100000210206 [1,1,0,0,0,0|2,0,0]=4 6395 B10R0.55 CC(C)OCCN[C@H](C)CO 2230a_100000737577_100000211751 [1,1,0,0,0,0|2,0,0]=4 6396 B10R0.55 CC(C)OCCOC(C)CO 34a_100000211219_100012180447 [1,1,0,0,0,0|2,0,0]=4 6397 B10R0.55 CC(C)OCCOC(C)CO 7a_100000211219_100012180447 [1,1,0,0,0,0|2,0,0]=4 6398 B10R0.55 CC(C)OCCSC(C)CO 62a_100012180447_100000211751 [1,1,0,0,0,0|2,0,0]=4 6399 B10R0.55 CC(C)OCCS[C@H](C)CO 62a_100000211751_100016084084 [1,1,0,0,0,0|2,0,0]=4 6400 B10R0.55 CC(C)OCCS[C@H](C)CO 62a_100016084084_100000211751 [1,1,0,0,0,0|2,0,0]=4 6401 B10R0.55 CC(C)OCNC[C@@H](F)CO 34a_100015665980_100000709892 [1,1,0,0,0,0|2,0,0]=4 6402 B10R0.55 CC(C)OCNC[C@H](O)CO 2230a_100020644852_100000709892 [1,1,0,0,0,0|2,0,0]=4 6403 B10R0.55 CC(C)OCSCC(O)CO 62a_100000709892_100011219619 [1,1,0,0,0,0|2,0,0]=4 6404 B10R0.55 CC(C)OCSCC(O)CO 62a_100011219619_100000709892 [1,1,0,0,0,0|2,0,0]=4 6405 B10R0.55 CC(C)OCSC[C@@H](C)CO 62a_100000059175_100000709892 [1,1,0,0,0,0|2,0,0]=4 6406 B10R0.55 CC(C)OCSC[C@@H](C)CO 62a_100000709892_100000059175 [1,1,0,0,0,0|2,0,0]=4 6407 B10R0.55 CC(C)OCSC[C@@H](O)CO 62a_100000709892_100009815848 [1,1,0,0,0,0|2,0,0]=4 6408 B10R0.55 CC(C)OCSC[C@@H](O)CO 62a_100009815848_100000709892 [1,1,0,0,0,0|2,0,0]=4 6409 B10R0.55 CC(C)SCCN[C@H](C)CO 2230a_100000737577_100000730970 [1,1,0,0,0,0|2,0,0]=4 6410 B10R0.55 CC(C)SCCSC(C)CO 62a_100012180447_100000730970 [1,1,0,0,0,0|2,0,0]=4 6411 B10R0.55 CC(C)SCCS[C@H](C)CO 62a_100000730970_100016084084 [1,1,0,0,0,0|2,0,0]=4 6412 B10R0.55 CC(C)SCCS[C@H](C)CO 62a_100016084084_100000730970 [1,1,0,0,0,0|2,0,0]=4 6413 B10R0.55 CC(CO)CCNC[C@@H](C)O 2230a_106354213184_100009817552 [1,1,0,0,0,0|2,0,0]=4 6414 B10R0.55 CC(CO)CCNC[C@@H](C)O 34a_106354213184_100009817552 [1,1,0,0,0,0|2,0,0]=4 6415 B10R0.55 CC(CO)CNCOC(C)C 34a_100000744482_100000709892 [1,1,0,0,0,0|2,0,0]=4 6416 B10R0.55 CC(CO)NCCOC(C)C 2230a_100000701111_100012180447 [1,1,0,0,0,0|2,0,0]=4 6417 B10R0.55 CC(CO)NCCOC(C)C 34a_100000701111_100012180447 [1,1,0,0,0,0|2,0,0]=4 6418 B10R0.55 CC(CO)NCCSC(C)C 2230a_100000731138_100012180447 [1,1,0,0,0,0|2,0,0]=4 6419 B10R0.55 CC(CO)NCCSC(C)C 34a_100000731138_100012180447 [1,1,0,0,0,0|2,0,0]=4 6420 B10R0.55 CC(CO)OCCSC(C)C 34a_200011212901_100012180447 [1,1,0,0,0,0|2,0,0]=4 6421 B10R0.55 CC(CO)OCCSC(C)C 7a_200011212901_100012180447 [1,1,0,0,0,0|2,0,0]=4 6422 B10R0.55 CC(CO)SCCCN(C)C 62a_100012180447_100000757444 [1,1,0,0,0,0|2,0,0]=4 6423 B10R0.55 CC(O)CCCN[C@H](C)CO 2230a_100000737577_200000718107 [1,1,0,0,0,0|2,0,0]=4 6424 B10R0.55 CC(O)CCCSC(C)CO 62a_100012180447_200000718107 [1,1,0,0,0,0|2,0,0]=4 6425 B10R0.55 CC(O)CCCS[C@H](C)CO 62a_100016084084_200000718107 [1,1,0,0,0,0|2,0,0]=4 6426 B10R0.55 CC(O)CCCS[C@H](C)CO 62a_200000718107_100016084084 [1,1,0,0,0,0|2,0,0]=4 6427 B10R0.55 CC(O)CCNCC(C)CO 34a_100000744482_100012276601 [1,1,0,0,0,0|2,0,0]=4 6428 B10R0.55 CC(O)CCNCC(O)CO 2230a_200000755665_100011219619 [1,1,0,0,0,0|2,0,0]=4 6429 B10R0.55 CC(O)CCNC[C@@H](C)CO 2230a_200000755665_100000059175 [1,1,0,0,0,0|2,0,0]=4 6430 B10R0.55 CC(O)CCNC[C@@H](F)CO 34a_100015665980_100012276601 [1,1,0,0,0,0|2,0,0]=4 6431 B10R0.55 CC(O)CCNC[C@@H](O)CO 2230a_200000755665_100009815848 [1,1,0,0,0,0|2,0,0]=4 6432 B10R0.55 CC(O)CCNC[C@H](O)CO 2230a_100020644852_100012276601 [1,1,0,0,0,0|2,0,0]=4 6433 B10R0.55 CC(O)CCSCC(O)CO 62a_100011219619_100012276601 [1,1,0,0,0,0|2,0,0]=4 6434 B10R0.55 CC(O)CCSCC(O)CO 62a_100012276601_100011219619 [1,1,0,0,0,0|2,0,0]=4 6435 B10R0.55 CC(O)CCSC[C@@H](C)CO 62a_100000059175_100012276601 [1,1,0,0,0,0|2,0,0]=4 6436 B10R0.55 CC(O)CCSC[C@@H](C)CO 62a_100012276601_100000059175 [1,1,0,0,0,0|2,0,0]=4 6437 B10R0.55 CC(O)CCSC[C@@H](O)CO 62a_100009815848_100012276601 [1,1,0,0,0,0|2,0,0]=4 6438 B10R0.55 CC(O)CCSC[C@@H](O)CO 62a_100012276601_100009815848 [1,1,0,0,0,0|2,0,0]=4 6439 B10R0.55 CC(O)CNCCC(C)CO 2230a_106354213184_100011218427 [1,1,0,0,0,0|2,0,0]=4 6440 B10R0.55 CC(O)CNCCC(C)CO 34a_106354213184_100011218427 [1,1,0,0,0,0|2,0,0]=4 6441 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [1,1,0,0,0,0|1,0,1]=4 6442 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [1,1,0,0,0,0|1,0,1]=4 6443 B10R0.55 CCC(C)CCCOC(C)C 7a_100011216074_100000210206 [1,1,0,0,0,0|2,0,0]=4 6444 B10R0.55 CCC(C)CCNCC(C)C 2230a_100020591266_100000210760 [1,1,0,0,0,0|2,0,0]=4 6445 B10R0.55 CCC(C)CCNCC(C)C 270004a_100020591266_100000210432 [1,1,0,0,0,0|2,0,0]=4 6446 B10R0.55 CCC(C)CCOCC(C)C 7a_100011215188_100000210760 [1,1,0,0,0,0|2,0,0]=4 6447 B10R0.55 CCC(C)CNCCC(C)C 2230a_100020588543_100000210312 [1,1,0,0,0,0|2,0,0]=4 6448 B10R0.55 CCC(C)CNCCC(C)C 269862a_100020588543_100000185833 [1,1,0,0,0,0|2,0,0]=4 6449 B10R0.55 CCC(C)CNCCC(C)C 270004a_100000210545_100000243153 [1,1,0,0,0,0|2,0,0]=4 6450 B10R0.55 CCC(C)COCCC(C)C 34a_100000210254_100000748023 [1,1,0,0,0,0|2,0,0]=4 6451 B10R0.55 CCC(C)COCCC(C)C 7a_100000210254_100000748023 [1,1,0,0,0,0|2,0,0]=4 6452 B10R0.55 CCC(C)CSCCC(C)C 62a_100000210312_100000748023 [1,1,0,0,0,0|2,0,0]=4 6453 B10R0.55 CCC(C)CSCCC(C)C 62a_100000748023_100000210312 [1,1,0,0,0,0|2,0,0]=4 6454 B10R0.55 CCC(C)NCCCC(C)C 2230a_100000209981_100011214892 [1,1,0,0,0,0|2,0,0]=4 6455 B10R0.55 CCC(C)NCCCC(C)C 2230a_200000737386_100000758301 [1,1,0,0,0,0|2,0,0]=4 6456 B10R0.55 CCC(C)NCCCC(C)C 34a_200000737386_100011215416 [1,1,0,0,0,0|2,0,0]=4 6457 B10R0.55 CCC(C)OCCCC(C)C 34a_100000210774_100011215416 [1,1,0,0,0,0|2,0,0]=4 6458 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210228_100011214892 [1,1,0,0,0,0|2,0,0]=4 6459 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210774_100000758301 [1,1,0,0,0,0|2,0,0]=4 6460 B10R0.55 CCC(C)SCCCC(C)C 62a_100000758301_100011214892 [1,1,0,0,0,0|2,0,0]=4 6461 B10R0.55 CCC(C)SCCCC(C)C 62a_100011214892_100000758301 [1,1,0,0,0,0|2,0,0]=4 6462 B10R0.55 CCC(O)CNCCC(C)C 2230a_100011218483_100000210312 [1,1,0,0,0,0|2,0,0]=4 6463 B10R0.55 CCC(O)CNCCC(C)C 269862a_100011218483_100000185833 [1,1,0,0,0,0|2,0,0]=4 6464 B10R0.55 CCC(O)COCCC(C)C 34a_100000210254_100011218378 [1,1,0,0,0,0|2,0,0]=4 6465 B10R0.55 CCC(O)COCCC(C)C 7a_100000210254_100011218378 [1,1,0,0,0,0|2,0,0]=4 6466 B10R0.55 CCC(O)CSCCC(C)C 62a_100000210312_100011218378 [1,1,0,0,0,0|2,0,0]=4 6467 B10R0.55 CCC(O)CSCCC(C)C 62a_100011218378_100000210312 [1,1,0,0,0,0|2,0,0]=4 6468 B10R0.55 CCN(C)CCCCC(C)C 2230a_100000225621_100011216152 [1,1,0,0,0,0|2,0,0]=4 6469 B10R0.55 CCN(C)CCCCC(C)C 269982a_100000225621_100011216152 [1,1,0,0,0,0|2,0,0]=4 6470 B10R0.55 CC[C@H](C)COCCC(C)C 34a_100000210254_100009816398 [1,1,0,0,0,0|2,0,0]=4 6471 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100000210254_100009816398 [1,1,0,0,0,0|2,0,0]=4 6472 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100009816381_100000210626 [1,1,0,0,0,0|2,0,0]=4 6473 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100000210312_100009816398 [1,1,0,0,0,0|2,0,0]=4 6474 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100009816398_100000210312 [1,1,0,0,0,0|2,0,0]=4 6475 B10R0.55 CN(C)CCSCC(O)CO 62a_100011219619_100000755713 [1,1,0,0,0,0|2,0,0]=4 6476 B10R0.55 CN(C)CCSC[C@@H](O)CO 62a_100009815848_100000755713 [1,1,0,0,0,0|2,0,0]=4 6477 B10R0.55 C[C@@H](CO)COCC[C@@H](C)N 34a_100000706166_100000059175 [1,1,0,0,0,0|2,0,0]=4 6478 B10R0.55 C[C@@H](CO)CSCCN(C)C 62a_100000059175_100000755713 [1,1,0,0,0,0|2,0,0]=4 6479 B10R0.55 C[C@@H](N)CCOCC(O)CO 34a_100000706166_100011219619 [1,1,0,0,0,0|2,0,0]=4 6480 B10R0.55 C[C@@H](N)CCOC[C@@H](O)CO 34a_100000706166_100009815848 [1,1,0,0,0,0|2,0,0]=4 6481 B10R0.55 C[C@H](CO)SCCCN(C)C 62a_100016084084_100000757444 [1,1,0,0,0,0|2,0,0]=4 6482 B10R0.74 C#CC(C)NCCCCCO 2230a_100000707721_100000746330 [1,1,0,0,0,0|1,0,1]=4 6483 B10R0.74 C#CC(C)NCCCCCO 34a_100000707721_100000746330 [1,1,0,0,0,0|1,0,1]=4 6484 B10R0.74 C#CC(C)NCCCCCO 34a_100000762737_200000035995 [1,1,0,0,0,0|1,0,1]=4 6485 B10R0.74 C#CC(C)SCCCCCO 62a_200000035995_100000746330 [1,1,0,0,0,0|1,0,1]=4 6486 B10R0.74 C#C[C@@H](C)OCCCCCO 34a_100009815206_100000746330 [1,1,0,0,0,0|1,0,1]=4 6487 B10R0.74 C#C[C@@H](C)OCCCCCO 7a_100009815206_100000746330 [1,1,0,0,0,0|1,0,1]=4 6488 B10R0.74 C=CC(C)COCCCCO 34a_100011215527_100011216708 [1,1,0,0,0,0|1,0,1]=4 6489 B10R0.74 C=CC(C)COCCCCO 7a_100011215527_100000210776 [1,1,0,0,0,0|1,0,1]=4 6490 B10R0.74 C=CC(C)OCCCCCO 34a_100000695699_100000746330 [1,1,0,0,0,0|1,0,1]=4 6491 B10R0.74 C=CC(C)SCCCCCO 62a_100011215867_100000746330 [1,1,0,0,0,0|1,0,1]=4 6492 B10R0.74 CC(C#N)NCCCCCO 2230a_100000737613_100000746330 [1,1,0,0,0,0|1,0,1]=4 6493 B10R0.74 CC(C#N)NCCCCCO 2230a_100000762737_100000184139 [1,1,0,0,0,0|1,0,1]=4 6494 B10R0.74 CC(C#N)OCCCCCO 34a_100011218135_100000746330 [1,1,0,0,0,0|1,0,1]=4 6495 B10R0.74 CC(C#N)SCCCCCO 62a_100000703298_100000746330 [1,1,0,0,0,0|1,0,1]=4 6496 B10R0.74 CC(C#N)SCCCCCO 62a_100000746330_100000703298 [1,1,0,0,0,0|1,0,1]=4 6497 B10R0.74 CC(CF)OCCCCCF 34a_100016041109_100000729378 [1,1,0,0,0,0|2,0,0]=4 6498 B10R0.74 CC(CF)OCCCCCF 7a_100016041109_100000729378 [1,1,0,0,0,0|2,0,0]=4 6499 B10R0.74 CC(CF)OCCCCCO 34a_100016041109_100000746330 [1,1,0,0,0,0|1,0,0]=3 6500 B10R0.74 CC(CF)OCCCCCO 7a_100016041109_100000746330 [1,1,0,0,0,0|1,0,0]=3 6501 B10R0.74 CC(CF)OCCOCCO 34a_100016041109_100000692535 [1,1,0,0,0,0|2,0,0]=4 6502 B10R0.74 CC(CF)OCCOCCO 7a_100016041109_100011215305 [1,1,0,0,0,0|2,0,0]=4 6503 B10R0.74 CC(CN)COCCCCF 34a_100000744482_100000729493 [1,1,0,0,0,0|2,0,0]=4 6504 B10R0.74 CC(CN)COCCCCO 34a_100000744482_100011216708 [1,1,0,0,0,0|1,0,0]=3 6505 B10R0.74 CC(CN)OCCCCCF 34a_100000210904_100000729378 [1,1,0,0,0,0|2,0,0]=4 6506 B10R0.74 CC(CN)OCCCCCO 34a_100000210904_100000746330 [1,1,0,0,0,0|1,0,0]=3 6507 B10R0.74 CC(CN)OCCOCCO 34a_100000210904_100000692535 [1,1,0,0,0,0|2,0,0]=4 6508 B10R0.74 CC(CO)CCNCCCF 2230a_106354213184_100011934791 [1,1,0,0,0,0|2,0,0]=4 6509 B10R0.74 CC(CO)CCNCCCF 34a_106354213184_100011934791 [1,1,0,0,0,0|2,0,0]=4 6510 B10R0.74 CC(CO)CCNCCCO 2230a_106354213184_100000230001 [1,1,0,0,0,0|1,0,0]=3 6511 B10R0.74 CC(CO)CCNCCCO 34a_106354213184_100000230001 [1,1,0,0,0,0|1,0,0]=3 6512 B10R0.74 CC(CO)CNCCCCF 34a_100000744482_100000729493 [1,1,0,0,0,0|2,0,0]=4 6513 B10R0.74 CC(CO)CNCCCCO 34a_100000744482_100011216708 [1,1,0,0,0,0|1,0,0]=3 6514 B10R0.74 CC(CO)NCCCCCO 2230a_100000762737_100012180447 [1,1,0,0,0,0|1,0,0]=3 6515 B10R0.74 CC(CO)NCCCCCO 34a_100000762737_100012180447 [1,1,0,0,0,0|1,0,0]=3 6516 B10R0.74 CC(CO)NCCOCCO 2230a_100000211614_100012180447 [1,1,0,0,0,0|2,0,0]=4 6517 B10R0.74 CC(CO)NCCOCCO 34a_100000211614_100012180447 [1,1,0,0,0,0|2,0,0]=4 6518 B10R0.74 CC(CO)NCCSCCO 2230a_100011219999_100012180447 [1,1,0,0,0,0|2,0,0]=4 6519 B10R0.74 CC(CO)OCCCCCBr 34a_100000746331_100012180447 [1,1,0,0,0,0|2,0,0]=4 6520 B10R0.74 CC(CO)OCCCCCBr 7a_100000746331_100012180447 [1,1,0,0,0,0|2,0,0]=4 6521 B10R0.74 CC(CO)OCCCCCCl 34a_100000746330_100012180447 [1,1,0,0,0,0|2,0,0]=4 6522 B10R0.74 CC(CO)OCCCCCCl 7a_100000746330_100012180447 [1,1,0,0,0,0|2,0,0]=4 6523 B10R0.74 CC(CO)OCCCCCI 34a_200012148887_100012180447 [1,1,0,0,0,0|2,0,0]=4 6524 B10R0.74 CC(CO)OCCCCCI 7a_200012148887_100012180447 [1,1,0,0,0,0|2,0,0]=4 6525 B10R0.74 CC(CO)OCCCCCN 34a_100000762737_100012180447 [1,1,0,0,0,0|2,0,0]=4 6526 B10R0.74 CC(CO)SCCCCCF 62a_100012180447_100000729378 [1,1,0,0,0,0|2,0,0]=4 6527 B10R0.74 CC(CO)SCCCCCO 62a_100012180447_100000746330 [1,1,0,0,0,0|1,0,0]=3 6528 B10R0.74 CC(CO)SCCOCCO 62a_100012180447_100011215305 [1,1,0,0,0,0|2,0,0]=4 6529 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [1,1,0,0,0,0|1,0,1]=4 6530 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [1,1,0,0,0,0|1,0,1]=4 6531 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [1,1,0,0,0,0|2,0,0]=4 6532 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [1,1,0,0,0,0|2,0,0]=4 6533 B10R0.74 CCC(C)CCCOCCF 7a_100011216074_100011217306 [1,1,0,0,0,0|2,0,0]=4 6534 B10R0.74 CCC(C)CCCOCCO 7a_100011216074_100000211926 [1,1,0,0,0,0|1,0,0]=3 6535 B10R0.74 CCC(C)CCNCCCF 2230a_100020591266_100011934791 [1,1,0,0,0,0|2,0,0]=4 6536 B10R0.74 CCC(C)CCNCCCO 2230a_100020591266_100000230001 [1,1,0,0,0,0|1,0,0]=3 6537 B10R0.74 CCC(C)CCOCCCF 7a_100011215188_100011934791 [1,1,0,0,0,0|2,0,0]=4 6538 B10R0.74 CCC(C)CCOCCCO 7a_100011215188_100011215043 [1,1,0,0,0,0|1,0,0]=3 6539 B10R0.74 CCC(C)CNCCCCF 2230a_100020588543_100000729493 [1,1,0,0,0,0|2,0,0]=4 6540 B10R0.74 CCC(C)CNCCCCO 2230a_100000750430_100000748023 [1,1,0,0,0,0|1,0,0]=3 6541 B10R0.74 CCC(C)CNCCCCO 2230a_100020588543_100000210776 [1,1,0,0,0,0|1,0,0]=3 6542 B10R0.74 CCC(C)CNCCCCO 270004a_100000750430_100000243153 [1,1,0,0,0,0|1,0,0]=3 6543 B10R0.74 CCC(C)CNCCCCO 34a_100000750430_100000748023 [1,1,0,0,0,0|1,0,0]=3 6544 B10R0.74 CCC(C)COCCCCBr 34a_100011216708_100000748023 [1,1,0,0,0,0|2,0,0]=4 6545 B10R0.74 CCC(C)COCCCCCl 34a_100000210776_100000748023 [1,1,0,0,0,0|2,0,0]=4 6546 B10R0.74 CCC(C)COCCCCCl 7a_100000210776_100000748023 [1,1,0,0,0,0|2,0,0]=4 6547 B10R0.74 CCC(C)COCCCCF 34a_100011995726_100000748023 [1,1,0,0,0,0|2,0,0]=4 6548 B10R0.74 CCC(C)COCCCCF 7a_100011995726_100000748023 [1,1,0,0,0,0|2,0,0]=4 6549 B10R0.74 CCC(C)COCCCCI 34a_200012148704_100000748023 [1,1,0,0,0,0|2,0,0]=4 6550 B10R0.74 CCC(C)COCCCCN 34a_100000750430_100000748023 [1,1,0,0,0,0|2,0,0]=4 6551 B10R0.74 CCC(C)CSCCCCF 62a_100000729493_100000748023 [1,1,0,0,0,0|2,0,0]=4 6552 B10R0.74 CCC(C)CSCCCCF 62a_100000748023_100000729493 [1,1,0,0,0,0|2,0,0]=4 6553 B10R0.74 CCC(C)CSCCCCO 62a_100000210776_100000748023 [1,1,0,0,0,0|1,0,0]=3 6554 B10R0.74 CCC(C)CSCCCCO 62a_100000748023_100000210776 [1,1,0,0,0,0|1,0,0]=3 6555 B10R0.74 CCC(C)NCCCCCF 2230a_100000209981_100000729378 [1,1,0,0,0,0|2,0,0]=4 6556 B10R0.74 CCC(C)NCCCCCO 2230a_100000209981_100000746330 [1,1,0,0,0,0|1,0,0]=3 6557 B10R0.74 CCC(C)NCCCCCO 2230a_100000762737_100000758301 [1,1,0,0,0,0|1,0,0]=3 6558 B10R0.74 CCC(C)NCCCCCO 34a_100000762737_100011215416 [1,1,0,0,0,0|1,0,0]=3 6559 B10R0.74 CCC(C)NCCOCCO 2230a_100000209981_100011215305 [1,1,0,0,0,0|2,0,0]=4 6560 B10R0.74 CCC(C)NCCOCCO 2230a_100000211614_100000758301 [1,1,0,0,0,0|2,0,0]=4 6561 B10R0.74 CCC(C)NCCOCCO 34a_100000211614_100011215416 [1,1,0,0,0,0|2,0,0]=4 6562 B10R0.74 CCC(C)NCCSCCO 2230a_100011219999_100000758301 [1,1,0,0,0,0|2,0,0]=4 6563 B10R0.74 CCC(C)OCCCCCBr 34a_100000746331_100011215416 [1,1,0,0,0,0|2,0,0]=4 6564 B10R0.74 CCC(C)OCCCCCBr 7a_100000746331_100000758301 [1,1,0,0,0,0|2,0,0]=4 6565 B10R0.74 CCC(C)OCCCCCCl 34a_100000746330_100011215416 [1,1,0,0,0,0|2,0,0]=4 6566 B10R0.74 CCC(C)OCCCCCCl 7a_100000746330_100000758301 [1,1,0,0,0,0|2,0,0]=4 6567 B10R0.74 CCC(C)OCCCCCF 7a_100000210228_100000729378 [1,1,0,0,0,0|2,0,0]=4 6568 B10R0.74 CCC(C)OCCCCCI 34a_200012148887_100011215416 [1,1,0,0,0,0|2,0,0]=4 6569 B10R0.74 CCC(C)OCCCCCI 7a_200012148887_100000758301 [1,1,0,0,0,0|2,0,0]=4 6570 B10R0.74 CCC(C)OCCCCCN 34a_100000762737_100011215416 [1,1,0,0,0,0|2,0,0]=4 6571 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [1,1,0,0,0,0|1,0,0]=3 6572 B10R0.74 CCC(C)OCCOCCO 7a_100000210228_100011215305 [1,1,0,0,0,0|2,0,0]=4 6573 B10R0.74 CCC(C)SCCCCCF 62a_100000729378_100000758301 [1,1,0,0,0,0|2,0,0]=4 6574 B10R0.74 CCC(C)SCCCCCF 62a_100000758301_100000729378 [1,1,0,0,0,0|2,0,0]=4 6575 B10R0.74 CCC(C)SCCCCCO 62a_100000746330_100000758301 [1,1,0,0,0,0|1,0,0]=3 6576 B10R0.74 CCC(C)SCCCCCO 62a_100000758301_100000746330 [1,1,0,0,0,0|1,0,0]=3 6577 B10R0.74 CCC(C)SCCOCCO 62a_100000758301_100011215305 [1,1,0,0,0,0|2,0,0]=4 6578 B10R0.74 CCC(C)SCCOCCO 62a_100011215305_100000758301 [1,1,0,0,0,0|2,0,0]=4 6579 B10R0.74 CCC(O)CNCCCCO 2230a_100000750430_100011218378 [1,1,0,0,0,0|2,0,0]=4 6580 B10R0.74 CCC(O)CNCCCCO 2230a_100011218483_100000210776 [1,1,0,0,0,0|2,0,0]=4 6581 B10R0.74 CCC(O)CNCCCCO 34a_100000750430_100011218378 [1,1,0,0,0,0|2,0,0]=4 6582 B10R0.74 CCC(O)CSCCCCO 62a_100000210776_100011218378 [1,1,0,0,0,0|2,0,0]=4 6583 B10R0.74 CCC(O)CSCCCCO 62a_100011218378_100000210776 [1,1,0,0,0,0|2,0,0]=4 6584 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [1,1,0,0,0,0|1,0,0]=3 6585 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [1,1,0,0,0,0|1,0,0]=3 6586 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [1,1,0,0,0,0|1,0,0]=3 6587 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [1,1,0,0,0,0|1,0,0]=3 6588 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [1,1,0,0,0,0|1,0,0]=3 6589 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [1,1,0,0,0,0|1,0,0]=3 6590 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [1,1,0,0,0,0|1,0,0]=3 6591 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [1,1,0,0,0,0|1,0,0]=3 6592 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [1,1,0,0,0,0|1,0,0]=3 6593 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [1,1,0,0,0,0|1,0,0]=3 6594 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [1,1,0,0,0,0|1,0,0]=3 6595 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [1,1,0,0,0,0|1,0,0]=3 6596 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [1,1,0,0,0,0|1,0,0]=3 6597 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [1,1,0,0,0,0|2,0,0]=4 6598 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [1,1,0,0,0,0|2,0,0]=4 6599 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [1,1,0,0,0,0|2,0,0]=4 6600 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [1,1,0,0,0,0|2,0,0]=4 6601 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [1,1,0,0,0,0|2,0,0]=4 6602 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [1,1,0,0,0,0|2,0,0]=4 6603 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [1,1,0,0,0,0|2,0,0]=4 6604 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [1,1,0,0,0,0|2,0,0]=4 6605 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [1,1,0,0,0,0|2,0,0]=4 6606 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [1,1,0,0,0,0|2,0,0]=4 6607 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [1,1,0,0,0,0|2,0,0]=4 6608 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [1,1,0,0,0,0|2,0,0]=4 6609 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [1,1,0,0,0,0|2,0,0]=4 6610 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [1,1,0,0,0,0|2,0,0]=4 6611 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [1,1,0,0,0,0|2,0,0]=4 6612 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [1,1,0,0,0,0|2,0,0]=4 6613 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [1,1,0,0,0,0|2,0,0]=4 6614 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [1,1,0,0,0,0|2,0,0]=4 6615 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [1,1,0,0,0,0|2,0,0]=4 6616 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [1,1,0,0,0,0|2,0,0]=4 6617 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [1,1,0,0,0,0|2,0,0]=4 6618 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [1,1,0,0,0,0|2,0,0]=4 6619 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [1,1,0,0,0,0|2,0,0]=4 6620 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [1,1,0,0,0,0|2,0,0]=4 6621 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [1,1,0,0,0,0|2,0,0]=4 6622 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [1,1,0,0,0,0|2,0,0]=4 6623 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [1,1,0,0,0,0|2,0,0]=4 6624 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [1,1,0,0,0,0|2,0,0]=4 6625 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [1,1,0,0,0,0|2,0,0]=4 6626 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [1,1,0,0,0,0|2,0,0]=4 6627 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [1,1,0,0,0,0|2,0,0]=4 6628 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [1,1,0,0,0,0|2,0,0]=4 6629 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [1,1,0,0,0,0|2,0,0]=4 6630 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [1,1,0,0,0,0|2,0,0]=4 6631 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [1,1,0,0,0,0|2,0,0]=4 6632 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [1,1,0,0,0,0|2,0,0]=4 6633 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [1,1,0,0,0,0|2,0,0]=4 6634 B10R0.74 CCCCCOCC(C)CN 34a_100000744482_100000718602 [1,1,0,0,0,0|2,0,0]=4 6635 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [1,1,0,0,0,0|2,0,0]=4 6636 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [1,1,0,0,0,0|2,0,0]=4 6637 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [1,1,0,0,0,0|2,0,0]=4 6638 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [1,1,0,0,0,0|2,0,0]=4 6639 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [1,1,0,0,0,0|2,0,0]=4 6640 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [1,1,0,0,0,0|2,0,0]=4 6641 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [1,1,0,0,0,0|2,0,0]=4 6642 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [1,1,0,0,0,0|2,0,0]=4 6643 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [1,1,0,0,0,0|2,0,0]=4 6644 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [1,1,0,0,0,0|2,0,0]=4 6645 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [1,1,0,0,0,0|2,0,0]=4 6646 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [1,1,0,0,0,0|2,0,0]=4 6647 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [1,1,0,0,0,0|2,0,0]=4 6648 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [1,1,0,0,0,0|2,0,0]=4 6649 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [1,1,0,0,0,0|2,0,0]=4 6650 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [1,1,0,0,0,0|2,0,0]=4 6651 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [1,1,0,0,0,0|2,0,0]=4 6652 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [1,1,0,0,0,0|2,0,0]=4 6653 B10R0.74 CCCOCCC[C@@H](C)CN 34a_100160569302_100000210303 [1,1,0,0,0,0|2,0,0]=4 6654 B10R0.74 CCN(C)CCCCCCF 2230a_100000225621_100015922095 [1,1,0,0,0,0|2,0,0]=4 6655 B10R0.74 CCN(C)CCCCCCF 269982a_100000225621_100015922095 [1,1,0,0,0,0|2,0,0]=4 6656 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [1,1,0,0,0,0|1,0,0]=3 6657 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [1,1,0,0,0,0|1,0,0]=3 6658 B10R0.74 CCN(C)CCCNCCO 2230a_100016997473_100015186262 [1,1,0,0,0,0|2,0,0]=4 6659 B10R0.74 CCN(C)CCCSCCO 62a_100000211926_100015186262 [1,1,0,0,0,0|2,0,0]=4 6660 B10R0.74 CC[C@H](C)CNCCCCO 2230a_100000750430_100009816398 [1,1,0,0,0,0|1,0,0]=3 6661 B10R0.74 CC[C@H](C)CNCCCCO 34a_100000750430_100009816398 [1,1,0,0,0,0|1,0,0]=3 6662 B10R0.74 CC[C@H](C)COCCCCBr 34a_100011216708_100009816398 [1,1,0,0,0,0|2,0,0]=4 6663 B10R0.74 CC[C@H](C)COCCCCCl 34a_100000210776_100009816398 [1,1,0,0,0,0|2,0,0]=4 6664 B10R0.74 CC[C@H](C)COCCCCCl 7a_100000210776_100009816398 [1,1,0,0,0,0|2,0,0]=4 6665 B10R0.74 CC[C@H](C)COCCCCF 34a_100011995726_100009816398 [1,1,0,0,0,0|2,0,0]=4 6666 B10R0.74 CC[C@H](C)COCCCCF 7a_100009816381_100000729493 [1,1,0,0,0,0|2,0,0]=4 6667 B10R0.74 CC[C@H](C)COCCCCF 7a_100011995726_100009816398 [1,1,0,0,0,0|2,0,0]=4 6668 B10R0.74 CC[C@H](C)COCCCCI 34a_200012148704_100009816398 [1,1,0,0,0,0|2,0,0]=4 6669 B10R0.74 CC[C@H](C)COCCCCN 34a_100000750430_100009816398 [1,1,0,0,0,0|2,0,0]=4 6670 B10R0.74 CC[C@H](C)COCCCCO 7a_100009816381_100000210776 [1,1,0,0,0,0|1,0,0]=3 6671 B10R0.74 CC[C@H](C)CSCCCCF 62a_100000729493_100009816398 [1,1,0,0,0,0|2,0,0]=4 6672 B10R0.74 CC[C@H](C)CSCCCCF 62a_100009816398_100000729493 [1,1,0,0,0,0|2,0,0]=4 6673 B10R0.74 CC[C@H](C)CSCCCCO 62a_100000210776_100009816398 [1,1,0,0,0,0|1,0,0]=3 6674 B10R0.74 CC[C@H](C)CSCCCCO 62a_100009816398_100000210776 [1,1,0,0,0,0|1,0,0]=3 6675 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [1,1,0,0,0,0|1,0,1]=4 6676 B10R0.74 COC(C)CCOCCCF 7a_100000764861_100011934791 [1,1,0,0,0,0|2,0,0]=4 6677 B10R0.74 COC(C)CCOCCCO 7a_100000764861_100011215043 [1,1,0,0,0,0|1,0,0]=3 6678 B10R0.74 COC(C)COCCCCF 34a_100000690652_100000729493 [1,1,0,0,0,0|2,0,0]=4 6679 B10R0.74 COC(C)COCCCCO 34a_100000690652_100011216708 [1,1,0,0,0,0|1,0,0]=3 6680 B10R0.74 COC(C)SCCCCCF 62a_100000729378_100009879195 [1,1,0,0,0,0|2,0,0]=4 6681 B10R0.74 COC(C)SCCCCCF 62a_100009879195_100000729378 [1,1,0,0,0,0|2,0,0]=4 6682 B10R0.74 COC(C)SCCCCCO 62a_100000746330_100009879195 [1,1,0,0,0,0|1,0,0]=3 6683 B10R0.74 COC(C)SCCCCCO 62a_100009879195_100000746330 [1,1,0,0,0,0|1,0,0]=3 6684 B10R0.74 COC(C)SCCOCCO 62a_100009879195_100011215305 [1,1,0,0,0,0|2,0,0]=4 6685 B10R0.74 COC(C)SCCOCCO 62a_100011215305_100009879195 [1,1,0,0,0,0|2,0,0]=4 6686 B10R0.74 CO[C@H](C)CNCCCCF 2230a_100020591295_100000729493 [1,1,0,0,0,0|2,0,0]=4 6687 B10R0.74 CO[C@H](C)CNCCCCO 2230a_100020591295_100000210776 [1,1,0,0,0,0|1,0,0]=3 6688 B10R0.74 C[C@@H](CN)CCCOCCF 34a_100160569302_100011217306 [1,1,0,0,0,0|2,0,0]=4 6689 B10R0.74 C[C@@H](CN)CCCOCCO 34a_100160569302_100000211926 [1,1,0,0,0,0|1,0,0]=3 6690 B10R0.74 C[C@@H](CO)CNCCCCO 2230a_100000750430_100000059175 [1,1,0,0,0,0|1,0,0]=3 6691 B10R0.74 C[C@@H](CO)CNCCCCO 34a_100000750430_100000059175 [1,1,0,0,0,0|1,0,0]=3 6692 B10R0.74 C[C@@H](CO)COCCCCBr 34a_100011216708_100000059175 [1,1,0,0,0,0|2,0,0]=4 6693 B10R0.74 C[C@@H](CO)COCCCCCl 34a_100000210776_100000059175 [1,1,0,0,0,0|2,0,0]=4 6694 B10R0.74 C[C@@H](CO)COCCCCCl 7a_100000210776_100000059175 [1,1,0,0,0,0|2,0,0]=4 6695 B10R0.74 C[C@@H](CO)COCCCCF 34a_100011995726_100000059175 [1,1,0,0,0,0|2,0,0]=4 6696 B10R0.74 C[C@@H](CO)COCCCCF 7a_100011995726_100000059175 [1,1,0,0,0,0|2,0,0]=4 6697 B10R0.74 C[C@@H](CO)COCCCCI 34a_200012148704_100000059175 [1,1,0,0,0,0|2,0,0]=4 6698 B10R0.74 C[C@@H](CO)COCCCCN 34a_100000750430_100000059175 [1,1,0,0,0,0|2,0,0]=4 6699 B10R0.74 C[C@@H](CO)CSCCCCF 62a_100000059175_100000729493 [1,1,0,0,0,0|2,0,0]=4 6700 B10R0.74 C[C@@H](CO)CSCCCCF 62a_100000729493_100000059175 [1,1,0,0,0,0|2,0,0]=4 6701 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000059175_100000210776 [1,1,0,0,0,0|1,0,0]=3 6702 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000210776_100000059175 [1,1,0,0,0,0|1,0,0]=3 6703 B10R0.74 C[C@H](CO)NCCCCCF 2230a_100000737577_100000729378 [1,1,0,0,0,0|2,0,0]=4 6704 B10R0.74 C[C@H](CO)NCCCCCO 2230a_100000737577_100000746330 [1,1,0,0,0,0|1,0,0]=3 6705 B10R0.74 C[C@H](CO)NCCOCCO 2230a_100000737577_100011215305 [1,1,0,0,0,0|2,0,0]=4 6706 B10R0.74 C[C@H](CO)SCCCCCF 62a_100000729378_100016084084 [1,1,0,0,0,0|2,0,0]=4 6707 B10R0.74 C[C@H](CO)SCCCCCF 62a_100016084084_100000729378 [1,1,0,0,0,0|2,0,0]=4 6708 B10R0.74 C[C@H](CO)SCCCCCO 62a_100000746330_100016084084 [1,1,0,0,0,0|1,0,0]=3 6709 B10R0.74 C[C@H](CO)SCCCCCO 62a_100016084084_100000746330 [1,1,0,0,0,0|1,0,0]=3 6710 B10R0.74 C[C@H](CO)SCCOCCO 62a_100011215305_100016084084 [1,1,0,0,0,0|2,0,0]=4 6711 B10R0.74 C[C@H](CO)SCCOCCO 62a_100016084084_100011215305 [1,1,0,0,0,0|2,0,0]=4 6712 B10R0.74 NC[C@@H](F)COCCCCO 34a_100015665980_100011216708 [1,1,0,0,0,0|2,0,0]=4 6713 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [1,1,0,0,0,0|1,0,1]=4 6714 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [1,1,0,0,0,0|1,0,1]=4 6715 B10R0.74 OCCCCNCC(O)CO 2230a_100000750430_100011219619 [1,1,0,0,0,0|2,0,0]=4 6716 B10R0.74 OCCCCNCC(O)CO 34a_100000750430_100011219619 [1,1,0,0,0,0|2,0,0]=4 6717 B10R0.74 OCCCCNC[C@@H](F)CO 34a_100015665980_100011216708 [1,1,0,0,0,0|2,0,0]=4 6718 B10R0.74 OCCCCNC[C@@H](O)CF 2230a_100000750430_100015614560 [1,1,0,0,0,0|2,0,0]=4 6719 B10R0.74 OCCCCNC[C@@H](O)CF 34a_100000750430_100015614560 [1,1,0,0,0,0|2,0,0]=4 6720 B10R0.74 OCCCCNC[C@@H](O)CO 2230a_100000750430_100009815848 [1,1,0,0,0,0|2,0,0]=4 6721 B10R0.74 OCCCCNC[C@@H](O)CO 34a_100000750430_100009815848 [1,1,0,0,0,0|2,0,0]=4 6722 B10R0.74 OCCCCNC[C@H](O)CO 2230a_100020644852_100000210776 [1,1,0,0,0,0|2,0,0]=4 6723 B10R0.74 OCCCCOCC(Cl)CCl 34a_100000033668_100011216708 [1,1,0,0,0,0|2,0,0]=4 6724 B10R0.74 OCCCCSCC(O)CO 62a_100000210776_100011219619 [1,1,0,0,0,0|2,0,0]=4 6725 B10R0.74 OCCCCSCC(O)CO 62a_100011219619_100000210776 [1,1,0,0,0,0|2,0,0]=4 6726 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100000210776_100015614560 [1,1,0,0,0,0|2,0,0]=4 6727 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100015614560_100000210776 [1,1,0,0,0,0|2,0,0]=4 6728 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100000210776_100009815848 [1,1,0,0,0,0|2,0,0]=4 6729 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100009815848_100000210776 [1,1,0,0,0,0|2,0,0]=4 6730 B10R0.75 CC(C)C(=O)CCCCCF 1458a_100000210198_100000729378 [1,1,0,0,0,0|1,0,1]=4 6731 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100000210198_100000746330 [1,1,0,0,0,0|0,0,1]=3 6732 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100102619762_100000210206 [1,1,0,0,0,0|0,0,1]=3 6733 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100000210198_100011215305 [1,1,0,0,0,0|1,0,1]=4 6734 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100011229844_100000210206 [1,1,0,0,0,0|1,0,1]=4 6735 B10R0.75 CC(C)C(=O)CSCCCO 62a_100000753385_100011215043 [1,1,0,0,0,0|1,0,1]=4 6736 B10R0.75 CC(C)C(=O)CSCCCO 62a_100011215043_100000753385 [1,1,0,0,0,0|1,0,1]=4 6737 B10R0.75 CC(C)C(=O)NCCCCO 240690a_100000750430_100000210198 [1,1,0,0,0,0|1,0,1]=4 6738 B10R0.75 CC(C)C(=O)NCCCCO 527a_100000750430_100000210198 [1,1,0,0,0,0|1,0,1]=4 6739 B10R0.75 CC(C)C(C)NCCCCF 2230a_100000211541_100000729493 [1,1,0,0,0,0|2,0,0]=4 6740 B10R0.75 CC(C)C(C)NCCCCO 2230a_100000211541_100000210776 [1,1,0,0,0,0|1,0,0]=3 6741 B10R0.75 CC(C)C(C)OCCCCF 7a_100000748068_100000729493 [1,1,0,0,0,0|2,0,0]=4 6742 B10R0.75 CC(C)C(C)OCCCCO 7a_100000748068_100000210776 [1,1,0,0,0,0|1,0,0]=3 6743 B10R0.75 CC(C)C(N)CCOCCF 34a_100161115045_100011217306 [1,1,0,0,0,0|2,0,0]=4 6744 B10R0.75 CC(C)C(N)CCOCCO 34a_100161115045_100000211926 [1,1,0,0,0,0|1,0,0]=3 6745 B10R0.75 CC(C)C(O)CNCCCF 2230a_100000759067_100011934791 [1,1,0,0,0,0|2,0,0]=4 6746 B10R0.75 CC(C)C(O)CNCCCF 34a_100000759067_100011934791 [1,1,0,0,0,0|2,0,0]=4 6747 B10R0.75 CC(C)C(O)CNCCCO 2230a_100000759067_100000230001 [1,1,0,0,0,0|1,0,0]=3 6748 B10R0.75 CC(C)C(O)CNCCCO 34a_100000759067_100000230001 [1,1,0,0,0,0|1,0,0]=3 6749 B10R0.75 CC(C)N(C)CCCCCF 269982a_200000211004_100000729378 [1,1,0,0,0,0|2,0,0]=4 6750 B10R0.75 CC(C)N(C)CCCCCO 2230a_100000722520_100000210206 [1,1,0,0,0,0|1,0,0]=3 6751 B10R0.75 CC(C)N(C)CCCCCO 2230a_100011629493_200000210301 [1,1,0,0,0,0|1,0,0]=3 6752 B10R0.75 CC(C)N(C)CCCCCO 269982a_100000722520_100000210206 [1,1,0,0,0,0|1,0,0]=3 6753 B10R0.75 CC(C)N(C)CCCCCO 269982a_100011629493_200000210301 [1,1,0,0,0,0|1,0,0]=3 6754 B10R0.75 CC(C)N(C)CCCCCO 269982a_200000211004_100000746330 [1,1,0,0,0,0|1,0,0]=3 6755 B10R0.75 CC(C)N(C)CCCCCO 34a_100011629493_200000210301 [1,1,0,0,0,0|1,0,0]=3 6756 B10R0.75 CC(C)N(C)CCOCCO 2230a_100000228057_100000210206 [1,1,0,0,0,0|2,0,0]=4 6757 B10R0.75 CC(C)N(C)CCOCCO 269982a_100000228057_100000210206 [1,1,0,0,0,0|2,0,0]=4 6758 B10R0.75 CC(C)N(C)CCOCCO 269982a_200000211004_100011215305 [1,1,0,0,0,0|2,0,0]=4 6759 B10R0.75 CC(C)N([13CH3])CCCCCO 2230a_100011629493_200025704644 [1,1,0,0,0,0|1,0,0]=3 6760 B10R0.75 CC(C)N([13CH3])CCCCCO 269982a_100011629493_200025704644 [1,1,0,0,0,0|1,0,0]=3 6761 B10R0.75 CC(C)N([13CH3])CCCCCO 34a_100011629493_200025704644 [1,1,0,0,0,0|1,0,0]=3 6762 B10R0.75 CC(C)[C@@H](N)COCCCF 34a_100011830312_100011934791 [1,1,0,0,0,0|2,0,0]=4 6763 B10R0.75 CC(C)[C@@H](N)COCCCO 34a_100011830312_100000230001 [1,1,0,0,0,0|1,0,0]=3 6764 B10R0.75 CC(F)C(=O)CCCCCO 1458a_100000062450_100000746330 [1,1,0,0,0,0|1,0,1]=4 6765 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [1,1,0,0,0,0|1,0,1]=4 6766 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [1,1,0,0,0,0|1,0,1]=4 6767 B10R0.75 CCCCCCC(C)N(C)C 2230a_100102631434_100011215978 [1,1,0,0,0,0|2,0,0]=4 6768 B10R0.75 CCCCCCC(C)N(C)C 269982a_100102631434_100011215978 [1,1,0,0,0,0|2,0,0]=4 6769 B10R0.75 CCCCCCC(C)N(C)C 270004a_100102631434_100000210826 [1,1,0,0,0,0|2,0,0]=4 6770 B10R0.75 CCCCCCN(C)C(C)C 2230a_106256046315_100000210206 [1,1,0,0,0,0|2,0,0]=4 6771 B10R0.75 CCCCCCN(C)C(C)C 269982a_106256046315_100000210206 [1,1,0,0,0,0|2,0,0]=4 6772 B10R0.75 CCCCCCN(C)C(C)C 269982a_200000211004_100000210757 [1,1,0,0,0,0|2,0,0]=4 6773 B10R0.75 CCCCCNC(C)C(C)C 2230a_100000211541_100000210326 [1,1,0,0,0,0|2,0,0]=4 6774 B10R0.75 CCCCCOC(C)C(C)C 7a_100000748068_100000210326 [1,1,0,0,0,0|2,0,0]=4 6775 B10R0.75 CCCCNCC(O)C(C)C 2230a_100000759067_100000210211 [1,1,0,0,0,0|2,0,0]=4 6776 B10R0.75 CCCCNCC(O)C(C)C 34a_100000759067_100000210210 [1,1,0,0,0,0|2,0,0]=4 6777 B10R0.75 CCCCOC[C@H](N)C(C)C 34a_100011830312_100000210210 [1,1,0,0,0,0|2,0,0]=4 6778 B10R0.75 CCCOCCC(N)C(C)C 34a_100161115045_100000210303 [1,1,0,0,0,0|2,0,0]=4 6779 B10R0.75 CN(C)C(=O)CCCCCO 240690a_100102631434_100102619762 [1,1,0,0,0,0|1,0,1]=4 6780 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [1,1,0,0,0,0|1,0,1]=4 6781 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [1,1,0,0,0,0|1,0,1]=4 6782 B10R0.78 CC(C)CCC(=O)CCCF 1458a_100000181311_100011934791 [1,1,0,0,0,0|1,0,1]=4 6783 B10R0.78 CC(C)CCC(=O)CCCO 1458a_100000181311_100011215043 [1,1,0,0,0,0|0,0,1]=3 6784 B10R0.78 CC(C)CCC(=O)NCCO 240690a_100000210304_100000181311 [1,1,0,0,0,0|1,0,1]=4 6785 B10R0.78 CC(C)CCC(=O)NCCO 527a_100000210304_100000181311 [1,1,0,0,0,0|1,0,1]=4 6786 B10R0.78 CC(C)CCC(C)NCCF 2230a_100138410893_100011217306 [1,1,0,0,0,0|2,0,0]=4 6787 B10R0.78 CC(C)CCC(C)NCCF 34a_100000724931_100011261404 [1,1,0,0,0,0|2,0,0]=4 6788 B10R0.78 CC(C)CCC(C)NCCO 2230a_100016997473_100011261404 [1,1,0,0,0,0|1,0,0]=3 6789 B10R0.78 CC(C)CCC(C)NCCO 2230a_100138410893_100000211926 [1,1,0,0,0,0|1,0,0]=3 6790 B10R0.78 CC(C)CCC(C)NCCO 270004a_100000210304_100000210476 [1,1,0,0,0,0|1,0,0]=3 6791 B10R0.78 CC(C)CCC(C)NCCO 34a_100016990907_100011261404 [1,1,0,0,0,0|1,0,0]=3 6792 B10R0.78 CC(C)CCC(C)OCCBr 34a_100000211926_100011261404 [1,1,0,0,0,0|2,0,0]=4 6793 B10R0.78 CC(C)CCC(C)OCCF 34a_100011215350_100011217306 [1,1,0,0,0,0|2,0,0]=4 6794 B10R0.78 CC(C)CCC(C)OCCF 7a_100011215350_100011217306 [1,1,0,0,0,0|2,0,0]=4 6795 B10R0.78 CC(C)CCC(C)OCCN 34a_100000210304_100011261404 [1,1,0,0,0,0|2,0,0]=4 6796 B10R0.78 CC(C)CCC(C)OCCO 34a_100011215350_100000211926 [1,1,0,0,0,0|1,0,0]=3 6797 B10R0.78 CC(C)CCC(C)OCCO 7a_100011215350_100000211926 [1,1,0,0,0,0|1,0,0]=3 6798 B10R0.78 CC(C)CCC(C)SCCF 62a_100011217306_100011261404 [1,1,0,0,0,0|2,0,0]=4 6799 B10R0.78 CC(C)CCC(C)SCCF 62a_100011261404_100011217306 [1,1,0,0,0,0|2,0,0]=4 6800 B10R0.78 CC(C)CCC(C)SCCO 62a_100000211926_100011261404 [1,1,0,0,0,0|1,0,0]=3 6801 B10R0.78 CC(C)CCC(C)SCCO 62a_100011261404_100000211926 [1,1,0,0,0,0|1,0,0]=3 6802 B10R0.78 CC(C)CCN(C)CCCF 2230a_100000742789_100011934791 [1,1,0,0,0,0|2,0,0]=4 6803 B10R0.78 CC(C)CCN(C)CCCF 269982a_100000742789_100011934791 [1,1,0,0,0,0|2,0,0]=4 6804 B10R0.78 CC(C)CCN(C)CCCO 2230a_100000213112_100000210312 [1,1,0,0,0,0|1,0,0]=3 6805 B10R0.78 CC(C)CCN(C)CCCO 2230a_100000742789_100000230001 [1,1,0,0,0,0|1,0,0]=3 6806 B10R0.78 CC(C)CCN(C)CCCO 269982a_100000213112_100000210312 [1,1,0,0,0,0|1,0,0]=3 6807 B10R0.78 CC(C)CCN(C)CCCO 269982a_100000742789_100011215043 [1,1,0,0,0,0|1,0,0]=3 6808 B10R0.78 CC(C)COC(C)CCCCl 34a_200000718107_100000210624 [1,1,0,0,0,0|2,0,0]=4 6809 B10R0.78 CC(C)COC(C)CCCCl 7a_200000718107_100000210760 [1,1,0,0,0,0|2,0,0]=4 6810 B10R0.78 CC(C)NC[C@H](C)CCCO 2230a_100160569302_100000210206 [1,1,0,0,0,0|1,0,0]=3 6811 B10R0.78 CC(C)NC[C@H](C)CCCO 34a_100160569302_100000210206 [1,1,0,0,0,0|1,0,0]=3 6812 B10R0.78 CC(C)OCC(=O)CCCO 1458a_100000745533_100011215043 [1,1,0,0,0,0|1,0,1]=4 6813 B10R0.78 CC(C)OCN(C)CCCO 2230a_100000213112_100000709892 [1,1,0,0,0,0|2,0,0]=4 6814 B10R0.78 CC(C)OCN(C)CCCO 269982a_100000213112_100000709892 [1,1,0,0,0,0|2,0,0]=4 6815 B10R0.78 CC(C)SCC(=O)CCCO 1458a_100000241585_100011215043 [1,1,0,0,0,0|1,0,1]=4 6816 B10R0.78 CC(O)CCN(C)CCCO 2230a_100000213112_100012276601 [1,1,0,0,0,0|2,0,0]=4 6817 B10R0.78 CC(O)CCN(C)CCCO 269982a_100000213112_100012276601 [1,1,0,0,0,0|2,0,0]=4 6818 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000181311_100000210211 [1,1,0,0,0,0|1,0,1]=4 6819 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000210183_100000210312 [1,1,0,0,0,0|1,0,1]=4 6820 B10R0.78 CCCCC(C)COC(C)C 34a_100011995851_100000210206 [1,1,0,0,0,0|2,0,0]=4 6821 B10R0.78 CCCCC(C)COC(C)C 7a_100011995851_100000210206 [1,1,0,0,0,0|2,0,0]=4 6822 B10R0.78 CCCCC(C)NCC(C)C 2230a_100000126638_100000210760 [1,1,0,0,0,0|2,0,0]=4 6823 B10R0.78 CCCCC(C)NCC(C)C 2230a_100000210953_200011215066 [1,1,0,0,0,0|2,0,0]=4 6824 B10R0.78 CCCCC(C)NCC(C)C 270004a_100000126638_100000210432 [1,1,0,0,0,0|2,0,0]=4 6825 B10R0.78 CCCCC(C)NCC(C)C 270004a_100000210953_100000210087 [1,1,0,0,0,0|2,0,0]=4 6826 B10R0.78 CCCCC(C)NCC(C)C 34a_100000210953_200011215066 [1,1,0,0,0,0|2,0,0]=4 6827 B10R0.78 CCCCC(C)OCC(C)C 34a_100000210257_200011215066 [1,1,0,0,0,0|2,0,0]=4 6828 B10R0.78 CCCCC(C)OCC(C)C 34a_100000687866_100000210624 [1,1,0,0,0,0|2,0,0]=4 6829 B10R0.78 CCCCC(C)OCC(C)C 7a_100000687866_100000210760 [1,1,0,0,0,0|2,0,0]=4 6830 B10R0.78 CCCCC(C)SCC(C)C 62a_100000210624_200011215066 [1,1,0,0,0,0|2,0,0]=4 6831 B10R0.78 CCCCC(C)SCC(C)C 62a_200011215066_100000210760 [1,1,0,0,0,0|2,0,0]=4 6832 B10R0.78 CCCCN(C)CCC(C)C 2230a_100000207549_100000210312 [1,1,0,0,0,0|2,0,0]=4 6833 B10R0.78 CCCCN(C)CCC(C)C 2230a_100000742789_100000210211 [1,1,0,0,0,0|2,0,0]=4 6834 B10R0.78 CCCCN(C)CCC(C)C 269982a_100000207549_100000210312 [1,1,0,0,0,0|2,0,0]=4 6835 B10R0.78 CCCCN(C)CCC(C)C 269982a_100000742789_100000210211 [1,1,0,0,0,0|2,0,0]=4 6836 B10R0.78 CCCC[C@H](N)COC(C)C 34a_100011934283_100000210206 [1,1,0,0,0,0|2,0,0]=4 6837 B10R0.78 CCCNC(C)CCC(C)C 2230a_100138410893_100000210303 [1,1,0,0,0,0|2,0,0]=4 6838 B10R0.78 CCCNC(C)CCC(C)C 270004a_100020643023_100000210476 [1,1,0,0,0,0|2,0,0]=4 6839 B10R0.78 CCCOC(C)CCC(C)C 34a_100000210258_100011261404 [1,1,0,0,0,0|2,0,0]=4 6840 B10R0.78 CCCOC(C)CCC(C)C 34a_100011215350_100000210303 [1,1,0,0,0,0|2,0,0]=4 6841 B10R0.78 CCCOC(C)CCC(C)C 7a_100011215350_100000210303 [1,1,0,0,0,0|2,0,0]=4 6842 B10R0.78 CCCSC(C)CCC(C)C 62a_100000210303_100011261404 [1,1,0,0,0,0|2,0,0]=4 6843 B10R0.78 CCCSC(C)CCC(C)C 62a_100011261404_100000210303 [1,1,0,0,0,0|2,0,0]=4 6844 B10R0.78 CN(C)CCN(C)CCCO 269982a_100000213112_100000755713 [1,1,0,0,0,0|2,0,0]=4 6845 B10R0.78 CN(C)CCN(C)CCCO 269982a_100000225618_100011215043 [1,1,0,0,0,0|2,0,0]=4 6846 B10R0.78 C[S+](C)CCC(=O)CCCO 1458a_100009452791_100011215043 [1,1,0,0,0,0|1,0,1]=4 6847 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [1,1,0,0,0,0|0,0,2]=4 6848 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [1,1,0,0,0,0|0,0,2]=4 6849 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [1,1,0,0,0,0|0,0,2]=4 6850 B10R0.97 CC(C)CCCCCN(C)C 2230a_100102631434_100000210682 [1,1,0,0,0,0|2,0,0]=4 6851 B10R0.97 CC(C)CCCCCN(C)C 269982a_100102631434_100000210682 [1,1,0,0,0,0|2,0,0]=4 6852 B10R0.97 CC(C)CCCCNC(C)C 2230a_100138425928_100011216152 [1,1,0,0,0,0|2,0,0]=4 6853 B10R0.97 CC(C)CCCCNC(C)C 34a_100138425928_100011216152 [1,1,0,0,0,0|2,0,0]=4 6854 B10R0.97 CC(C)CCCCOC(C)C 34a_100000212225_100011216152 [1,1,0,0,0,0|2,0,0]=4 6855 B10R0.97 CC(C)CCCCOC(C)C 34a_100011214890_100000210206 [1,1,0,0,0,0|2,0,0]=4 6856 B10R0.97 CC(C)CCCCOC(C)C 7a_100011214890_100000210206 [1,1,0,0,0,0|2,0,0]=4 6857 B10R0.97 CC(C)CCCCSC(C)C 62a_100000210206_100011216152 [1,1,0,0,0,0|2,0,0]=4 6858 B10R0.97 CC(C)CCCCSC(C)C 62a_100011216152_100000210206 [1,1,0,0,0,0|2,0,0]=4 6859 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [1,1,0,0,0,0|1,0,1]=4 6860 B10R0.97 CC(C)CCCNCC(C)C 2230a_100000210953_100011214892 [1,1,0,0,0,0|2,0,0]=4 6861 B10R0.97 CC(C)CCCNCC(C)C 2230a_200000737386_100000210760 [1,1,0,0,0,0|2,0,0]=4 6862 B10R0.97 CC(C)CCCNCC(C)C 270004a_200000737386_100000210432 [1,1,0,0,0,0|2,0,0]=4 6863 B10R0.97 CC(C)CCCNCC(C)C 34a_100000210953_100011214892 [1,1,0,0,0,0|2,0,0]=4 6864 B10R0.97 CC(C)CCCNCC(C)C 34a_200000737386_100000210624 [1,1,0,0,0,0|2,0,0]=4 6865 B10R0.97 CC(C)CCCNCC(C)O 2230a_100000210904_100011214892 [1,1,0,0,0,0|1,0,0]=3 6866 B10R0.97 CC(C)CCCNCC(C)O 2230a_200000737386_100011218427 [1,1,0,0,0,0|1,0,0]=3 6867 B10R0.97 CC(C)CCCNCC(C)O 34a_100000210904_100011214892 [1,1,0,0,0,0|1,0,0]=3 6868 B10R0.97 CC(C)CCCNCC(C)O 34a_200000737386_100011218427 [1,1,0,0,0,0|1,0,0]=3 6869 B10R0.97 CC(C)CCCNCC(F)F 2230a_200000737386_100011934356 [1,1,0,0,0,0|2,0,0]=4 6870 B10R0.97 CC(C)CCCNCC(F)F 34a_100000765723_100011214892 [1,1,0,0,0,0|2,0,0]=4 6871 B10R0.97 CC(C)CCCNCC(F)F 34a_200000737386_100011934356 [1,1,0,0,0,0|2,0,0]=4 6872 B10R0.97 CC(C)CCCNC[C@@H](C)O 2230a_200000737386_100009817552 [1,1,0,0,0,0|1,0,0]=3 6873 B10R0.97 CC(C)CCCNC[C@@H](C)O 34a_200000737386_100009817552 [1,1,0,0,0,0|1,0,0]=3 6874 B10R0.97 CC(C)CCCOCC(C)Br 34a_100012180447_100011214892 [1,1,0,0,0,0|2,0,0]=4 6875 B10R0.97 CC(C)CCCOCC(C)C 34a_100000210257_100011214892 [1,1,0,0,0,0|2,0,0]=4 6876 B10R0.97 CC(C)CCCOCC(C)C 34a_100000210774_100000210624 [1,1,0,0,0,0|2,0,0]=4 6877 B10R0.97 CC(C)CCCOCC(C)C 7a_100000210774_100000210760 [1,1,0,0,0,0|2,0,0]=4 6878 B10R0.97 CC(C)CCCOCC(C)F 34a_100015925927_100011214892 [1,1,0,0,0,0|2,0,0]=4 6879 B10R0.97 CC(C)CCCOCC(C)O 34a_100000210774_100011218427 [1,1,0,0,0,0|1,0,0]=3 6880 B10R0.97 CC(C)CCCOCC(C)O 7a_100000210774_100011218427 [1,1,0,0,0,0|1,0,0]=3 6881 B10R0.97 CC(C)CCCOCC(F)F 34a_100000210774_100011934356 [1,1,0,0,0,0|2,0,0]=4 6882 B10R0.97 CC(C)CCCOCC(F)F 34a_100000743014_100011214892 [1,1,0,0,0,0|2,0,0]=4 6883 B10R0.97 CC(C)CCCOCC(F)F 7a_100000210774_100011934356 [1,1,0,0,0,0|2,0,0]=4 6884 B10R0.97 CC(C)CCCOC[C@@H](C)Cl 34a_100016084084_100011214892 [1,1,0,0,0,0|2,0,0]=4 6885 B10R0.97 CC(C)CCCOC[C@@H](C)N 34a_100000737577_100011214892 [1,1,0,0,0,0|2,0,0]=4 6886 B10R0.97 CC(C)CCCOC[C@@H](C)O 34a_100000210774_100009817552 [1,1,0,0,0,0|1,0,0]=3 6887 B10R0.97 CC(C)CCCOC[C@@H](C)O 7a_100000210774_100009817552 [1,1,0,0,0,0|1,0,0]=3 6888 B10R0.97 CC(C)CCCSCC(C)C 62a_100000210624_100011214892 [1,1,0,0,0,0|2,0,0]=4 6889 B10R0.97 CC(C)CCCSCC(C)C 62a_100011214892_100000210760 [1,1,0,0,0,0|2,0,0]=4 6890 B10R0.97 CC(C)CCCSCC(C)O 62a_100011214892_100011218427 [1,1,0,0,0,0|1,0,0]=3 6891 B10R0.97 CC(C)CCCSCC(C)O 62a_100011218427_100011214892 [1,1,0,0,0,0|1,0,0]=3 6892 B10R0.97 CC(C)CCCSCC(F)F 62a_100011214892_100011934356 [1,1,0,0,0,0|2,0,0]=4 6893 B10R0.97 CC(C)CCCSCC(F)F 62a_100011934356_100011214892 [1,1,0,0,0,0|2,0,0]=4 6894 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100009817552_100011214892 [1,1,0,0,0,0|1,0,0]=3 6895 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100011214892_100009817552 [1,1,0,0,0,0|1,0,0]=3 6896 B10R0.97 CC(C)CCNCCC(C)C 269862a_100000210545_100000185833 [1,1,0,0,0,0|2,0,0]=4 6897 B10R0.97 CC(C)CCNCCC(C)O 2230a_200000755665_100000210312 [1,1,0,0,0,0|1,0,0]=3 6898 B10R0.97 CC(C)CCNCCC(C)O 269862a_200000755665_100000185833 [1,1,0,0,0,0|1,0,0]=3 6899 B10R0.97 CC(C)CCOCCC(C)Br 34a_100009893172_100000210312 [1,1,0,0,0,0|2,0,0]=4 6900 B10R0.97 CC(C)CCOCCC(C)C 34a_100000210254_100000210312 [1,1,0,0,0,0|2,0,0]=4 6901 B10R0.97 CC(C)CCOCCC(C)C 7a_100000210254_100000210626 [1,1,0,0,0,0|2,0,0]=4 6902 B10R0.97 CC(C)CCOCCC(C)O 34a_100000210254_100012276601 [1,1,0,0,0,0|1,0,0]=3 6903 B10R0.97 CC(C)CCOCCC(C)O 7a_100000210254_100012276601 [1,1,0,0,0,0|1,0,0]=3 6904 B10R0.97 CC(C)CCOCCC(F)F 34a_100103093639_100000210312 [1,1,0,0,0,0|2,0,0]=4 6905 B10R0.97 CC(C)CCOCC[C@@H](C)N 34a_100000706166_100000210312 [1,1,0,0,0,0|2,0,0]=4 6906 B10R0.97 CC(C)CCSCCC(C)C 62a_100000210312_100000210312 [1,1,0,0,0,0|2,0,0]=4 6907 B10R0.97 CC(C)CCSCCC(C)O 62a_100000210312_100012276601 [1,1,0,0,0,0|1,0,0]=3 6908 B10R0.97 CC(C)CCSCCC(C)O 62a_100012276601_100000210312 [1,1,0,0,0,0|1,0,0]=3 6909 B10R0.97 CC(C)CNCCCC(C)O 2230a_100000210953_200000718107 [1,1,0,0,0,0|1,0,0]=3 6910 B10R0.97 CC(C)CNCCCC(C)O 34a_100000210953_200000718107 [1,1,0,0,0,0|1,0,0]=3 6911 B10R0.97 CC(C)COCCCC(C)O 34a_100000210257_200000718107 [1,1,0,0,0,0|1,0,0]=3 6912 B10R0.97 CC(C)CSCCCC(C)O 62a_100000210624_200000718107 [1,1,0,0,0,0|1,0,0]=3 6913 B10R0.97 CC(C)CSCCCC(C)O 62a_200000718107_100000210760 [1,1,0,0,0,0|1,0,0]=3 6914 B10R0.97 CC(C)NCCCCB(O)O 2230a_100138425928_200009817182 [1,1,0,0,0,0|2,0,0]=4 6915 B10R0.97 CC(C)NCCCCB(O)O 34a_100138425928_200009817182 [1,1,0,0,0,0|2,0,0]=4 6916 B10R0.97 CC(C)NCCOC[C@@H](C)O 34a_100000224655_100009817552 [1,1,0,0,0,0|2,0,0]=4 6917 B10R0.97 CC(C)OCCCCB(O)O 34a_100000212225_200009817182 [1,1,0,0,0,0|2,0,0]=4 6918 B10R0.97 CC(C)OCCNC[C@@H](C)O 2230a_100000701111_100009817552 [1,1,0,0,0,0|2,0,0]=4 6919 B10R0.97 CC(C)OCCNC[C@@H](C)O 34a_100000701111_100009817552 [1,1,0,0,0,0|2,0,0]=4 6920 B10R0.97 CC(C)OCCOC[C@@H](C)O 34a_100000211219_100009817552 [1,1,0,0,0,0|2,0,0]=4 6921 B10R0.97 CC(C)OCCOC[C@@H](C)O 7a_100000211219_100009817552 [1,1,0,0,0,0|2,0,0]=4 6922 B10R0.97 CC(C)OCCSC[C@@H](C)O 62a_100000211751_100009817552 [1,1,0,0,0,0|2,0,0]=4 6923 B10R0.97 CC(C)OCCSC[C@@H](C)O 62a_100009817552_100000211751 [1,1,0,0,0,0|2,0,0]=4 6924 B10R0.97 CC(C)SCCCCB(O)O 62a_100000210206_200009817182 [1,1,0,0,0,0|2,0,0]=4 6925 B10R0.97 CC(C)SCCCCB(O)O 62a_200009817182_100000210206 [1,1,0,0,0,0|2,0,0]=4 6926 B10R0.97 CC(C)SCCNC[C@@H](C)O 2230a_100000731138_100009817552 [1,1,0,0,0,0|2,0,0]=4 6927 B10R0.97 CC(C)SCCNC[C@@H](C)O 34a_100000731138_100009817552 [1,1,0,0,0,0|2,0,0]=4 6928 B10R0.97 CC(C)SCCOC[C@@H](C)O 34a_200011212901_100009817552 [1,1,0,0,0,0|2,0,0]=4 6929 B10R0.97 CC(C)SCCOC[C@@H](C)O 7a_200011212901_100009817552 [1,1,0,0,0,0|2,0,0]=4 6930 B10R0.97 CC(C)SCCSC[C@@H](C)O 62a_100000730970_100009817552 [1,1,0,0,0,0|2,0,0]=4 6931 B10R0.97 CC(C)SCCSC[C@@H](C)O 62a_100009817552_100000730970 [1,1,0,0,0,0|2,0,0]=4 6932 B10R0.97 CC(O)CCCNCC(C)O 2230a_100000210904_200000718107 [1,1,0,0,0,0|2,0,0]=4 6933 B10R0.97 CC(O)CCCNCC(C)O 34a_100000210904_200000718107 [1,1,0,0,0,0|2,0,0]=4 6934 B10R0.97 CC(O)CCCOCC(C)Br 34a_100012180447_200000718107 [1,1,0,0,0,0|2,0,0]=4 6935 B10R0.97 CC(O)CCCOCC(C)F 34a_100015925927_200000718107 [1,1,0,0,0,0|2,0,0]=4 6936 B10R0.97 CC(O)CCCOC[C@@H](C)Cl 34a_100016084084_200000718107 [1,1,0,0,0,0|2,0,0]=4 6937 B10R0.97 CC(O)CCCOC[C@@H](C)N 34a_100000737577_200000718107 [1,1,0,0,0,0|2,0,0]=4 6938 B10R0.97 CC(O)CCCSCC(C)O 62a_100011218427_200000718107 [1,1,0,0,0,0|2,0,0]=4 6939 B10R0.97 CC(O)CCCSCC(C)O 62a_200000718107_100011218427 [1,1,0,0,0,0|2,0,0]=4 6940 B10R0.97 CC(O)CCCSC[C@@H](C)O 62a_100009817552_200000718107 [1,1,0,0,0,0|2,0,0]=4 6941 B10R0.97 CC(O)CCCSC[C@@H](C)O 62a_200000718107_100009817552 [1,1,0,0,0,0|2,0,0]=4 6942 B10R0.97 CC(O)CCNCCC(C)O 2230a_200000755665_100012276601 [1,1,0,0,0,0|2,0,0]=4 6943 B10R0.97 CC(O)CCNCOC(C)C 2230a_200000755665_100000709892 [1,1,0,0,0,0|2,0,0]=4 6944 B10R0.97 CC(O)CCOCCC(C)Br 34a_100009893172_100012276601 [1,1,0,0,0,0|2,0,0]=4 6945 B10R0.97 CC(O)CCOCC[C@@H](C)N 34a_100000706166_100012276601 [1,1,0,0,0,0|2,0,0]=4 6946 B10R0.97 CC(O)CCSCCC(C)O 62a_100012276601_100012276601 [1,1,0,0,0,0|2,0,0]=4 6947 B10R0.97 CC(O)CCSCCN(C)C 62a_100012276601_100000755713 [1,1,0,0,0,0|2,0,0]=4 6948 B10R0.97 CC(O)CCSCOC(C)C 62a_100000709892_100012276601 [1,1,0,0,0,0|2,0,0]=4 6949 B10R0.97 CC(O)CCSCOC(C)C 62a_100012276601_100000709892 [1,1,0,0,0,0|2,0,0]=4 6950 B10R0.97 CC(O)CNCCOC(C)C 2230a_100000210904_100000211751 [1,1,0,0,0,0|2,0,0]=4 6951 B10R0.97 CC(O)CNCCOC(C)C 2230a_100000701111_100011218427 [1,1,0,0,0,0|2,0,0]=4 6952 B10R0.97 CC(O)CNCCOC(C)C 34a_100000210904_100000211751 [1,1,0,0,0,0|2,0,0]=4 6953 B10R0.97 CC(O)CNCCOC(C)C 34a_100000701111_100011218427 [1,1,0,0,0,0|2,0,0]=4 6954 B10R0.97 CC(O)CNCCSC(C)C 2230a_100000210904_100000730970 [1,1,0,0,0,0|2,0,0]=4 6955 B10R0.97 CC(O)CNCCSC(C)C 2230a_100000731138_100011218427 [1,1,0,0,0,0|2,0,0]=4 6956 B10R0.97 CC(O)CNCCSC(C)C 34a_100000210904_100000730970 [1,1,0,0,0,0|2,0,0]=4 6957 B10R0.97 CC(O)CNCCSC(C)C 34a_100000731138_100011218427 [1,1,0,0,0,0|2,0,0]=4 6958 B10R0.97 CC(O)COCCNC(C)C 34a_100000224655_100011218427 [1,1,0,0,0,0|2,0,0]=4 6959 B10R0.97 CC(O)COCCOC(C)C 34a_100000211219_100011218427 [1,1,0,0,0,0|2,0,0]=4 6960 B10R0.97 CC(O)COCCOC(C)C 7a_100000211219_100011218427 [1,1,0,0,0,0|2,0,0]=4 6961 B10R0.97 CC(O)COCCSC(C)C 34a_200011212901_100011218427 [1,1,0,0,0,0|2,0,0]=4 6962 B10R0.97 CC(O)COCCSC(C)C 7a_200011212901_100011218427 [1,1,0,0,0,0|2,0,0]=4 6963 B10R0.97 CC(O)CSCCCN(C)C 62a_100011218427_100000757444 [1,1,0,0,0,0|2,0,0]=4 6964 B10R0.97 CC(O)CSCCOC(C)C 62a_100000211751_100011218427 [1,1,0,0,0,0|2,0,0]=4 6965 B10R0.97 CC(O)CSCCOC(C)C 62a_100011218427_100000211751 [1,1,0,0,0,0|2,0,0]=4 6966 B10R0.97 CC(O)CSCCSC(C)C 62a_100000730970_100011218427 [1,1,0,0,0,0|2,0,0]=4 6967 B10R0.97 CC(O)CSCCSC(C)C 62a_100011218427_100000730970 [1,1,0,0,0,0|2,0,0]=4 6968 B10R0.97 CN(C)CCCCCB(O)O 2230a_100102631434_200009817188 [1,1,0,0,0,0|2,0,0]=4 6969 B10R0.97 CN(C)CCCCCB(O)O 269982a_100102631434_200009817188 [1,1,0,0,0,0|2,0,0]=4 6970 B10R0.97 C[C@@H](O)CSCCCN(C)C 62a_100009817552_100000757444 [1,1,0,0,0,0|2,0,0]=4 6971 B10R0.1 C#CCC(C)OCCCCC 34a_100000685586_100000718602 [1,1,0,0,0,0|1,0,1]=4 6972 B10R0.1 C#CCC(C)OCCCCC 7a_100000685586_100000210326 [1,1,0,0,0,0|1,0,1]=4 6973 B10R0.1 C#CCCCCN(C)CCO 2230a_100000210263_100010269958 [1,1,0,0,0,0|1,0,1]=4 6974 B10R0.1 C#CCCCCN(C)CCO 269982a_100000210263_100010269958 [1,1,0,0,0,0|1,0,1]=4 6975 B10R0.1 C#CCCCNC(C)CCO 34a_100000718082_100009893172 [1,1,0,0,0,0|0,0,2]=4 6976 B10R0.1 C#CCCCN[C@H](C)CCO 2230a_100000706166_100000731252 [1,1,0,0,0,0|0,0,2]=4 6977 B10R0.1 C#CCCCN[C@H](C)CCO 34a_100000706166_100000695029 [1,1,0,0,0,0|0,0,2]=4 6978 B10R0.1 C#CCCCOC(C)CCO 34a_100000215630_100009893172 [1,1,0,0,0,0|0,0,2]=4 6979 B10R0.1 C#CCCCOC(C)CCO 7a_100000215630_100009893172 [1,1,0,0,0,0|0,0,2]=4 6980 B10R0.1 C#CCCCSC(C)CCO 62a_100009893172_100011215417 [1,1,0,0,0,0|0,0,2]=4 6981 B10R0.1 C#CCCCSC(C)CCO 62a_100011215417_100009893172 [1,1,0,0,0,0|0,0,2]=4 6982 B10R0.1 C/C=C/CCOC(C)CCO 34a_100016278192_100009893172 [1,1,0,0,0,0|0,0,2]=4 6983 B10R0.1 C=CCC(C)COCCCC 34a_100009832082_100000210210 [1,1,0,0,0,0|1,0,1]=4 6984 B10R0.1 C=CCC(C)COCCCC 7a_100009832082_100000210211 [1,1,0,0,0,0|1,0,1]=4 6985 B10R0.1 C=CCCCCN(C)CCO 2230a_100000210263_100011215482 [1,1,0,0,0,0|1,0,1]=4 6986 B10R0.1 C=CCCCCN(C)CCO 2230a_100012000471_100000211926 [1,1,0,0,0,0|1,0,1]=4 6987 B10R0.1 C=CCCCCN(C)CCO 269982a_100000210263_100011215482 [1,1,0,0,0,0|1,0,1]=4 6988 B10R0.1 C=CCCCCN(C)CCO 269982a_100012000471_100000211926 [1,1,0,0,0,0|1,0,1]=4 6989 B10R0.1 C=CCCCNC(C)CCO 2230a_100000700776_100009893172 [1,1,0,0,0,0|0,0,2]=4 6990 B10R0.1 C=CCCCNC(C)CCO 34a_100000700776_100009893172 [1,1,0,0,0,0|0,0,2]=4 6991 B10R0.1 C=CCCCN[C@H](C)CCO 2230a_100000706166_100011713584 [1,1,0,0,0,0|0,0,2]=4 6992 B10R0.1 C=CCCCN[C@H](C)CCO 34a_100000706166_100000757094 [1,1,0,0,0,0|0,0,2]=4 6993 B10R0.1 C=CCCCOC(C)CCO 34a_100000758997_100009893172 [1,1,0,0,0,0|0,0,2]=4 6994 B10R0.1 C=CCCCOC(C)CCO 7a_100000758997_100009893172 [1,1,0,0,0,0|0,0,2]=4 6995 B10R0.1 C=CCCCSC(C)CCO 62a_100009893172_100000757094 [1,1,0,0,0,0|0,0,2]=4 6996 B10R0.1 C=CCCCSC(C)CCO 62a_100011713584_100009893172 [1,1,0,0,0,0|0,0,2]=4 6997 B10R0.1 C=CC[C@@H](C)OCCCCC 34a_100000731007_100000718602 [1,1,0,0,0,0|1,0,1]=4 6998 B10R0.1 C=CC[C@@H](C)OCCCCC 7a_100000731007_100000210326 [1,1,0,0,0,0|1,0,1]=4 6999 B10R0.1 CC#CCCOC(C)CCO 34a_100000750427_100009893172 [1,1,0,0,0,0|0,0,2]=4 7000 B10R0.1 CC(CCBr)OCCCCF 34a_100012276601_100000729493 [1,1,0,0,0,0|2,0,0]=4 7001 B10R0.1 CC(CCBr)OCCCCO 34a_100012276601_100011216708 [1,1,0,0,0,0|2,0,0]=4 7002 B10R0.1 CC(CCN)COCCCF 34a_106354213184_100011934791 [1,1,0,0,0,0|2,0,0]=4 7003 B10R0.1 CC(CCN)COCCCO 34a_106354213184_100000230001 [1,1,0,0,0,0|2,0,0]=4 7004 B10R0.1 CC(CCO)NCCCCO 2230a_100000750430_100009893172 [1,1,0,0,0,0|1,0,0]=3 7005 B10R0.1 CC(CCO)NCCCCO 34a_100000750430_100009893172 [1,1,0,0,0,0|1,0,0]=3 7006 B10R0.1 CC(CCO)OCCCCBr 34a_100011216708_100009893172 [1,1,0,0,0,0|1,0,0]=3 7007 B10R0.1 CC(CCO)OCCCCCl 34a_100000210776_100009893172 [1,1,0,0,0,0|1,0,0]=3 7008 B10R0.1 CC(CCO)OCCCCCl 7a_100000210776_100009893172 [1,1,0,0,0,0|1,0,0]=3 7009 B10R0.1 CC(CCO)OCCCCF 34a_100011995726_100009893172 [1,1,0,0,0,0|1,0,0]=3 7010 B10R0.1 CC(CCO)OCCCCF 7a_100011995726_100009893172 [1,1,0,0,0,0|1,0,0]=3 7011 B10R0.1 CC(CCO)OCCCCI 34a_200012148704_100009893172 [1,1,0,0,0,0|1,0,0]=3 7012 B10R0.1 CC(CCO)OCCCCN 34a_100000750430_100009893172 [1,1,0,0,0,0|1,0,0]=3 7013 B10R0.1 CC(CCO)SCCCC#N 62a_100000687738_100009893172 [1,1,0,0,0,0|1,0,1]=4 7014 B10R0.1 CC(CCO)SCCCC#N 62a_100009893172_100000687738 [1,1,0,0,0,0|1,0,1]=4 7015 B10R0.1 CC(CCO)SCCCC=O 62a_100009893172_200011292268 [1,1,0,0,0,0|1,0,1]=4 7016 B10R0.1 CC(CCO)SCCCC=O 62a_200011292268_100009893172 [1,1,0,0,0,0|1,0,1]=4 7017 B10R0.1 CC(CCO)SCCCCF 62a_100000729493_100009893172 [1,1,0,0,0,0|1,0,0]=3 7018 B10R0.1 CC(CCO)SCCCCF 62a_100009893172_100000729493 [1,1,0,0,0,0|1,0,0]=3 7019 B10R0.1 CC(CCO)SCCCCO 62a_100000210776_100009893172 [1,1,0,0,0,0|1,0,0]=3 7020 B10R0.1 CC(CCO)SCCCCO 62a_100009893172_100000210776 [1,1,0,0,0,0|1,0,0]=3 7021 B10R0.1 CC/C=C\CCN(C)CCO 2230a_100000210263_100015370543 [1,1,0,0,0,0|1,0,1]=4 7022 B10R0.1 CC/C=C\CCN(C)CCO 269982a_100000210263_100015370543 [1,1,0,0,0,0|1,0,1]=4 7023 B10R0.1 CC/C=C\CN[C@H](C)CCO 2230a_100000706166_100103147603 [1,1,0,0,0,0|0,0,2]=4 7024 B10R0.1 CC/C=C\CN[C@H](C)CCO 34a_100000706166_100103147603 [1,1,0,0,0,0|0,0,2]=4 7025 B10R0.1 CC/C=C\COC(C)CCO 34a_100016268518_100009893172 [1,1,0,0,0,0|0,0,2]=4 7026 B10R0.1 CC/C=C\CSC(C)CCO 62a_100009893172_100103147603 [1,1,0,0,0,0|0,0,2]=4 7027 B10R0.1 CC/C=C\CSC(C)CCO 62a_100103147603_100009893172 [1,1,0,0,0,0|0,0,2]=4 7028 B10R0.1 CCC#CCN[C@H](C)CCO 2230a_100000706166_100009813939 [1,1,0,0,0,0|0,0,2]=4 7029 B10R0.1 CCC#CCN[C@H](C)CCO 34a_100000706166_100009813939 [1,1,0,0,0,0|0,0,2]=4 7030 B10R0.1 CCC#CCOC(C)CCO 34a_100000032950_100009893172 [1,1,0,0,0,0|0,0,2]=4 7031 B10R0.1 CCC#CCSC(C)CCO 62a_100009813939_100009893172 [1,1,0,0,0,0|0,0,2]=4 7032 B10R0.1 CCC#CCSC(C)CCO 62a_100009893172_100009813939 [1,1,0,0,0,0|0,0,2]=4 7033 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [1,1,0,0,0,0|1,0,0]=3 7034 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [1,1,0,0,0,0|1,0,0]=3 7035 B10R0.1 CCCC(C)CCCOCF 34a_100011713154_100015361967 [1,1,0,0,0,0|2,0,0]=4 7036 B10R0.1 CCCC(C)CCCOCF 7a_100011713154_100015361967 [1,1,0,0,0,0|2,0,0]=4 7037 B10R0.1 CCCC(C)CCOCCF 34a_100011217855_100011217306 [1,1,0,0,0,0|2,0,0]=4 7038 B10R0.1 CCCC(C)CCOCCF 7a_100011217855_100011217306 [1,1,0,0,0,0|2,0,0]=4 7039 B10R0.1 CCCC(C)CCOCCO 34a_100011217855_100000211926 [1,1,0,0,0,0|2,0,0]=4 7040 B10R0.1 CCCC(C)CCOCCO 7a_100011217855_100000211926 [1,1,0,0,0,0|2,0,0]=4 7041 B10R0.1 CCCC(C)CCOCSC 34a_100011217855_100011218213 [1,1,0,0,0,0|2,0,0]=4 7042 B10R0.1 CCCC(C)CNCCCF 2230a_100015189416_100011216630 [1,1,0,0,0,0|2,0,0]=4 7043 B10R0.1 CCCC(C)CNCCCF 270004a_100015189416_100000243154 [1,1,0,0,0,0|2,0,0]=4 7044 B10R0.1 CCCC(C)CNCCCF 34a_100015189416_100011216630 [1,1,0,0,0,0|2,0,0]=4 7045 B10R0.1 CCCC(C)CNCCCO 270004a_100000182051_100000243154 [1,1,0,0,0,0|2,0,0]=4 7046 B10R0.1 CCCC(C)CNCCOC 2230a_100000209980_100011216630 [1,1,0,0,0,0|2,0,0]=4 7047 B10R0.1 CCCC(C)CNCCOC 270004a_100000209980_100000243154 [1,1,0,0,0,0|2,0,0]=4 7048 B10R0.1 CCCC(C)CNCCSC 2230a_100020590264_100011216630 [1,1,0,0,0,0|2,0,0]=4 7049 B10R0.1 CCCC(C)CNCCSC 270004a_100020590264_100000243154 [1,1,0,0,0,0|2,0,0]=4 7050 B10R0.1 CCCC(C)COCCCBr 34a_100011217188_100011216630 [1,1,0,0,0,0|2,0,0]=4 7051 B10R0.1 CCCC(C)COCCCCl 34a_100000230001_100011216630 [1,1,0,0,0,0|2,0,0]=4 7052 B10R0.1 CCCC(C)COCCCF 34a_100000688023_100011934791 [1,1,0,0,0,0|2,0,0]=4 7053 B10R0.1 CCCC(C)COCCCF 34a_100000759539_100011216630 [1,1,0,0,0,0|2,0,0]=4 7054 B10R0.1 CCCC(C)COCCCF 7a_100000688023_100011934791 [1,1,0,0,0,0|2,0,0]=4 7055 B10R0.1 CCCC(C)COCCCN 34a_100000182051_100011216630 [1,1,0,0,0,0|2,0,0]=4 7056 B10R0.1 CCCC(C)COCCCO 34a_100000688023_100000230001 [1,1,0,0,0,0|2,0,0]=4 7057 B10R0.1 CCCC(C)COCCCO 7a_100000688023_100011215043 [1,1,0,0,0,0|2,0,0]=4 7058 B10R0.1 CCCC(C)COCCOC 34a_100000210237_100011216630 [1,1,0,0,0,0|2,0,0]=4 7059 B10R0.1 CCCC(C)COCCOC 34a_100000688023_100011201679 [1,1,0,0,0,0|2,0,0]=4 7060 B10R0.1 CCCC(C)COCCOC 7a_100000688023_100000233755 [1,1,0,0,0,0|2,0,0]=4 7061 B10R0.1 CCCC(C)COCCSC 34a_100000230434_100011216630 [1,1,0,0,0,0|2,0,0]=4 7062 B10R0.1 CCCC(C)COCCSC 34a_100000688023_100000212216 [1,1,0,0,0,0|2,0,0]=4 7063 B10R0.1 CCCC(C)COCCSC 7a_100000230434_100011216630 [1,1,0,0,0,0|2,0,0]=4 7064 B10R0.1 CCCC(C)COCCSC 7a_100000688023_100000212216 [1,1,0,0,0,0|2,0,0]=4 7065 B10R0.1 CCCC(C)CSCCCF 62a_100011216630_100011934791 [1,1,0,0,0,0|2,0,0]=4 7066 B10R0.1 CCCC(C)CSCCCF 62a_100011934791_100011216630 [1,1,0,0,0,0|2,0,0]=4 7067 B10R0.1 CCCC(C)CSCCCO 62a_100011215043_100011216630 [1,1,0,0,0,0|2,0,0]=4 7068 B10R0.1 CCCC(C)CSCCCO 62a_100011216630_100011215043 [1,1,0,0,0,0|2,0,0]=4 7069 B10R0.1 CCCC(C)CSCCOC 62a_100000233755_100011216630 [1,1,0,0,0,0|2,0,0]=4 7070 B10R0.1 CCCC(C)CSCCOC 62a_100011216630_100000233755 [1,1,0,0,0,0|2,0,0]=4 7071 B10R0.1 CCCC(C)CSCCSC 62a_100000212216_100011216630 [1,1,0,0,0,0|2,0,0]=4 7072 B10R0.1 CCCC(C)CSCCSC 62a_100011216630_100000751147 [1,1,0,0,0,0|2,0,0]=4 7073 B10R0.1 CCCC(C)CSCOCC 62a_100000739092_100011216630 [1,1,0,0,0,0|2,0,0]=4 7074 B10R0.1 CCCC(C)CSCOCC 62a_100011216630_100000739092 [1,1,0,0,0,0|2,0,0]=4 7075 B10R0.1 CCCC(C)NCCCCF 2230a_100000741246_100000729493 [1,1,0,0,0,0|2,0,0]=4 7076 B10R0.1 CCCC(C)NCCCCO 2230a_100000741246_100000210776 [1,1,0,0,0,0|2,0,0]=4 7077 B10R0.1 CCCC(C)NCCCCO 2230a_100000750430_100000766640 [1,1,0,0,0,0|2,0,0]=4 7078 B10R0.1 CCCC(C)NCCCCO 270004a_100000750430_100000211909 [1,1,0,0,0,0|2,0,0]=4 7079 B10R0.1 CCCC(C)NCCCCO 34a_100000750430_100000766640 [1,1,0,0,0,0|2,0,0]=4 7080 B10R0.1 CCCC(C)NCCCOC 2230a_100000741246_100000740836 [1,1,0,0,0,0|2,0,0]=4 7081 B10R0.1 CCCC(C)NCCCOC 270004a_100150723488_100000211909 [1,1,0,0,0,0|2,0,0]=4 7082 B10R0.1 CCCC(C)NCCCOC 34a_100150723488_100000766640 [1,1,0,0,0,0|2,0,0]=4 7083 B10R0.1 CCCC(C)NCCCSC 2230a_100000749238_100000766640 [1,1,0,0,0,0|2,0,0]=4 7084 B10R0.1 CCCC(C)NCCCSC 270004a_100000749238_100000211909 [1,1,0,0,0,0|2,0,0]=4 7085 B10R0.1 CCCC(C)NCCOCC 2230a_100000741246_100011215890 [1,1,0,0,0,0|2,0,0]=4 7086 B10R0.1 CCCC(C)NCCOCC 2230a_102516460346_100000766640 [1,1,0,0,0,0|2,0,0]=4 7087 B10R0.1 CCCC(C)NCCOCC 270004a_102516460346_100000211909 [1,1,0,0,0,0|2,0,0]=4 7088 B10R0.1 CCCC(C)NCCOCC 34a_102516460346_100000766640 [1,1,0,0,0,0|2,0,0]=4 7089 B10R0.1 CCCC(C)NCCSCC 2230a_100000106463_100000766640 [1,1,0,0,0,0|2,0,0]=4 7090 B10R0.1 CCCC(C)NCCSCC 2230a_100000741246_100000757381 [1,1,0,0,0,0|2,0,0]=4 7091 B10R0.1 CCCC(C)NCCSCC 270004a_100000106463_100000211909 [1,1,0,0,0,0|2,0,0]=4 7092 B10R0.1 CCCC(C)OCCCCBr 34a_100011216708_100000766640 [1,1,0,0,0,0|2,0,0]=4 7093 B10R0.1 CCCC(C)OCCCCCl 34a_100000210776_100000766640 [1,1,0,0,0,0|2,0,0]=4 7094 B10R0.1 CCCC(C)OCCCCCl 7a_100000210776_100000766640 [1,1,0,0,0,0|2,0,0]=4 7095 B10R0.1 CCCC(C)OCCCCF 34a_100000764384_100000729493 [1,1,0,0,0,0|2,0,0]=4 7096 B10R0.1 CCCC(C)OCCCCF 34a_100011995726_100000766640 [1,1,0,0,0,0|2,0,0]=4 7097 B10R0.1 CCCC(C)OCCCCF 7a_100000764384_100000729493 [1,1,0,0,0,0|2,0,0]=4 7098 B10R0.1 CCCC(C)OCCCCF 7a_100011995726_100000766640 [1,1,0,0,0,0|2,0,0]=4 7099 B10R0.1 CCCC(C)OCCCCI 34a_200012148704_100000766640 [1,1,0,0,0,0|2,0,0]=4 7100 B10R0.1 CCCC(C)OCCCCN 34a_100000750430_100000766640 [1,1,0,0,0,0|2,0,0]=4 7101 B10R0.1 CCCC(C)OCCCCO 34a_100000764384_100011216708 [1,1,0,0,0,0|2,0,0]=4 7102 B10R0.1 CCCC(C)OCCCCO 7a_100000764384_100000210776 [1,1,0,0,0,0|2,0,0]=4 7103 B10R0.1 CCCC(C)OCCCNC 34a_100000213112_100000766640 [1,1,0,0,0,0|2,0,0]=4 7104 B10R0.1 CCCC(C)OCCCOC 34a_100000740835_100000766640 [1,1,0,0,0,0|2,0,0]=4 7105 B10R0.1 CCCC(C)OCCCOC 34a_100000764384_100000740836 [1,1,0,0,0,0|2,0,0]=4 7106 B10R0.1 CCCC(C)OCCCOC 7a_100000764384_100000740836 [1,1,0,0,0,0|2,0,0]=4 7107 B10R0.1 CCCC(C)OCCCSC 34a_100000690336_100000766640 [1,1,0,0,0,0|2,0,0]=4 7108 B10R0.1 CCCC(C)OCCCSC 7a_100000690336_100000766640 [1,1,0,0,0,0|2,0,0]=4 7109 B10R0.1 CCCC(C)OCCOCC 34a_100000210136_100000766640 [1,1,0,0,0,0|2,0,0]=4 7110 B10R0.1 CCCC(C)OCCOCC 34a_100000764384_100000210147 [1,1,0,0,0,0|2,0,0]=4 7111 B10R0.1 CCCC(C)OCCOCC 7a_100000210136_100000766640 [1,1,0,0,0,0|2,0,0]=4 7112 B10R0.1 CCCC(C)OCCOCC 7a_100000764384_100011215890 [1,1,0,0,0,0|2,0,0]=4 7113 B10R0.1 CCCC(C)OCCSCC 34a_100000212035_100000766640 [1,1,0,0,0,0|2,0,0]=4 7114 B10R0.1 CCCC(C)OCCSCC 34a_100000764384_100000757381 [1,1,0,0,0,0|2,0,0]=4 7115 B10R0.1 CCCC(C)OCCSCC 7a_100000212035_100000766640 [1,1,0,0,0,0|2,0,0]=4 7116 B10R0.1 CCCC(C)OCCSCC 7a_100000764384_100000757381 [1,1,0,0,0,0|2,0,0]=4 7117 B10R0.1 CCCC(C)SCCCCF 62a_100000729493_100000766640 [1,1,0,0,0,0|2,0,0]=4 7118 B10R0.1 CCCC(C)SCCCCF 62a_100000766640_100000729493 [1,1,0,0,0,0|2,0,0]=4 7119 B10R0.1 CCCC(C)SCCCCO 62a_100000210776_100000766640 [1,1,0,0,0,0|2,0,0]=4 7120 B10R0.1 CCCC(C)SCCCCO 62a_100000766640_100000210776 [1,1,0,0,0,0|2,0,0]=4 7121 B10R0.1 CCCC(C)SCCCOC 62a_100000709357_100000766640 [1,1,0,0,0,0|2,0,0]=4 7122 B10R0.1 CCCC(C)SCCCOC 62a_100000766640_100000709357 [1,1,0,0,0,0|2,0,0]=4 7123 B10R0.1 CCCC(C)SCCOCC 62a_100000210147_100000766640 [1,1,0,0,0,0|2,0,0]=4 7124 B10R0.1 CCCC(C)SCCOCC 62a_100000766640_100011215890 [1,1,0,0,0,0|2,0,0]=4 7125 B10R0.1 CCCC(C)SCCSCC 62a_100000757381_100000766640 [1,1,0,0,0,0|2,0,0]=4 7126 B10R0.1 CCCC(C)SCCSCC 62a_100000766640_100000757381 [1,1,0,0,0,0|2,0,0]=4 7127 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [1,1,0,0,0,0|1,0,1]=4 7128 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [1,1,0,0,0,0|1,0,1]=4 7129 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [1,1,0,0,0,0|2,0,0]=4 7130 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [1,1,0,0,0,0|2,0,0]=4 7131 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [1,1,0,0,0,0|2,0,0]=4 7132 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [1,1,0,0,0,0|2,0,0]=4 7133 B10R0.1 CCCCCCC(C)NCF 34a_100000210919_100015361967 [1,1,0,0,0,0|2,0,0]=4 7134 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [1,1,0,0,0,0|2,0,0]=4 7135 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [1,1,0,0,0,0|2,0,0]=4 7136 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [1,1,0,0,0,0|2,0,0]=4 7137 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [1,1,0,0,0,0|2,0,0]=4 7138 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [1,1,0,0,0,0|2,0,0]=4 7139 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [1,1,0,0,0,0|2,0,0]=4 7140 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [1,1,0,0,0,0|2,0,0]=4 7141 B10R0.1 CCCCCCC(C)SCF 62a_100011215978_100015361967 [1,1,0,0,0,0|2,0,0]=4 7142 B10R0.1 CCCCCCC(C)SCF 62a_100015361967_100011215978 [1,1,0,0,0,0|2,0,0]=4 7143 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [1,1,0,0,0,0|2,0,0]=4 7144 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [1,1,0,0,0,0|2,0,0]=4 7145 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [1,1,0,0,0,0|2,0,0]=4 7146 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [1,1,0,0,0,0|2,0,0]=4 7147 B10R0.1 CCCCCCN(C)CCF 2230a_106256046315_100011217306 [1,1,0,0,0,0|2,0,0]=4 7148 B10R0.1 CCCCCCN(C)CCF 269982a_106256046315_100011217306 [1,1,0,0,0,0|2,0,0]=4 7149 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [1,1,0,0,0,0|1,0,0]=3 7150 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [1,1,0,0,0,0|1,0,0]=3 7151 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [1,1,0,0,0,0|1,0,0]=3 7152 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [1,1,0,0,0,0|1,0,0]=3 7153 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [1,1,0,0,0,0|1,0,1]=4 7154 B10R0.1 CCCCCNC(C)CC#N 2230a_100000209983_100009813641 [1,1,0,0,0,0|1,0,1]=4 7155 B10R0.1 CCCCCNC(C)CCC 2230a_100000209983_100000766640 [1,1,0,0,0,0|1,0,0]=3 7156 B10R0.1 CCCCCNC(C)CCC 2230a_100000741246_100000210326 [1,1,0,0,0,0|1,0,0]=3 7157 B10R0.1 CCCCCNC(C)CCC 270004a_100000209983_100000211909 [1,1,0,0,0,0|1,0,0]=3 7158 B10R0.1 CCCCCNC(C)CCO 2230a_100000209983_100009893172 [1,1,0,0,0,0|0,0,0]=2 7159 B10R0.1 CCCCCNC(C)COC 2230a_100000209983_100000765312 [1,1,0,0,0,0|2,0,0]=4 7160 B10R0.1 CCCCCNC(C)COC 270004a_100000209983_100000749346 [1,1,0,0,0,0|2,0,0]=4 7161 B10R0.1 CCCCCNC(C)CSC 270004a_100000209983_100011216314 [1,1,0,0,0,0|2,0,0]=4 7162 B10R0.1 CCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210326 [1,1,0,0,0,0|1,0,1]=4 7163 B10R0.1 CCCCCN[C@H](C)CCO 2230a_100000706166_100000210326 [1,1,0,0,0,0|0,0,0]=2 7164 B10R0.1 CCCCCN[C@H](C)CCO 34a_100000706166_100000718602 [1,1,0,0,0,0|0,0,0]=2 7165 B10R0.1 CCCCCN[C@H](C)COC 2230a_100000764878_100000210326 [1,1,0,0,0,0|2,0,0]=4 7166 B10R0.1 CCCCCOC(C)CC#N 7a_100000210253_100009813641 [1,1,0,0,0,0|1,0,1]=4 7167 B10R0.1 CCCCCOC(C)CCBr 34a_100012276601_100000718602 [1,1,0,0,0,0|1,0,0]=3 7168 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [1,1,0,0,0,0|1,0,0]=3 7169 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [1,1,0,0,0,0|1,0,0]=3 7170 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [1,1,0,0,0,0|1,0,0]=3 7171 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [1,1,0,0,0,0|1,0,0]=3 7172 B10R0.1 CCCCCOC(C)CCO 34a_100000210253_100009893172 [1,1,0,0,0,0|0,0,0]=2 7173 B10R0.1 CCCCCOC(C)CCO 7a_100000210253_100009893172 [1,1,0,0,0,0|0,0,0]=2 7174 B10R0.1 CCCCCOC(C)COC 34a_100000210253_100000765312 [1,1,0,0,0,0|2,0,0]=4 7175 B10R0.1 CCCCCOC(C)COC 7a_100000210253_100000765312 [1,1,0,0,0,0|2,0,0]=4 7176 B10R0.1 CCCCCO[C@H](C)COC 34a_100011934205_100000718602 [1,1,0,0,0,0|2,0,0]=4 7177 B10R0.1 CCCCCSC(C)CC#N 62a_100000210326_100009813641 [1,1,0,0,0,0|1,0,1]=4 7178 B10R0.1 CCCCCSC(C)CC#N 62a_100009813641_100000210326 [1,1,0,0,0,0|1,0,1]=4 7179 B10R0.1 CCCCCSC(C)CCC 62a_100000210326_100000766640 [1,1,0,0,0,0|1,0,0]=3 7180 B10R0.1 CCCCCSC(C)CCC 62a_100000766640_100000210326 [1,1,0,0,0,0|1,0,0]=3 7181 B10R0.1 CCCCCSC(C)CCO 62a_100000210326_100009893172 [1,1,0,0,0,0|0,0,0]=2 7182 B10R0.1 CCCCCSC(C)CCO 62a_100009893172_100000210326 [1,1,0,0,0,0|0,0,0]=2 7183 B10R0.1 CCCCCSC(C)COC 62a_100000210326_100000765312 [1,1,0,0,0,0|2,0,0]=4 7184 B10R0.1 CCCCCSC(C)COC 62a_100000765312_100000210326 [1,1,0,0,0,0|2,0,0]=4 7185 B10R0.1 CCCCNCC(C)CCC 2230a_100000102301_100011216630 [1,1,0,0,0,0|1,0,0]=3 7186 B10R0.1 CCCCNCC(C)CCC 270004a_100000102301_100000243154 [1,1,0,0,0,0|1,0,0]=3 7187 B10R0.1 CCCCNCC(C)CCC 7a_106832991798_100011216630 [1,1,0,0,0,0|1,0,0]=3 7188 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [1,1,0,0,0,0|1,0,1]=4 7189 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [1,1,0,0,0,0|1,0,1]=4 7190 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [1,1,0,0,0,0|1,0,0]=3 7191 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [1,1,0,0,0,0|1,0,0]=3 7192 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [1,1,0,0,0,0|1,0,0]=3 7193 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [1,1,0,0,0,0|1,0,0]=3 7194 B10R0.1 CCCCOCC(C)CCN 34a_106354213184_100000210210 [1,1,0,0,0,0|1,0,0]=3 7195 B10R0.1 CCCCOCC(C)OCC 34a_100011217071_100000210202 [1,1,0,0,0,0|2,0,0]=4 7196 B10R0.1 CCCCOCC(C)OCC 7a_100011217071_100000210202 [1,1,0,0,0,0|2,0,0]=4 7197 B10R0.1 CCCCOCC(C)OCF 34a_100011217071_100015361967 [1,1,0,0,0,0|2,0,0]=4 7198 B10R0.1 CCCCOCC(C)OCF 7a_100011217071_100015361967 [1,1,0,0,0,0|2,0,0]=4 7199 B10R0.1 CCCCOCN(C)CCC 2230a_100000747261_100011995733 [1,1,0,0,0,0|2,0,0]=4 7200 B10R0.1 CCCCOCN(C)CCC 269982a_100000747261_100011995733 [1,1,0,0,0,0|2,0,0]=4 7201 B10R0.1 CCCCOCN(C)CCO 2230a_100000210263_100011995733 [1,1,0,0,0,0|1,0,0]=3 7202 B10R0.1 CCCCOCN(C)CCO 269982a_100000210263_100011995733 [1,1,0,0,0,0|1,0,0]=3 7203 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [1,1,0,0,0,0|2,0,0]=4 7204 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [1,1,0,0,0,0|1,0,1]=4 7205 B10R0.1 CCCCSCC(C)CCC 62a_100000210211_100011216630 [1,1,0,0,0,0|1,0,0]=3 7206 B10R0.1 CCCCSCC(C)CCC 62a_100011216630_100000210210 [1,1,0,0,0,0|1,0,0]=3 7207 B10R0.1 CCCN(C)CCCCCF 2230a_100000747261_100000729378 [1,1,0,0,0,0|2,0,0]=4 7208 B10R0.1 CCCN(C)CCCCCF 269982a_100000747261_100000729378 [1,1,0,0,0,0|2,0,0]=4 7209 B10R0.1 CCCN(C)CCCCCO 2230a_100000722520_100000210303 [1,1,0,0,0,0|2,0,0]=4 7210 B10R0.1 CCCN(C)CCCCCO 2230a_100000747261_100000746330 [1,1,0,0,0,0|2,0,0]=4 7211 B10R0.1 CCCN(C)CCCCCO 269982a_100000722520_100000210303 [1,1,0,0,0,0|2,0,0]=4 7212 B10R0.1 CCCN(C)CCCCCO 269982a_100000747261_100000746330 [1,1,0,0,0,0|2,0,0]=4 7213 B10R0.1 CCCN(C)CCCCOC 2230a_100000747261_100000730899 [1,1,0,0,0,0|2,0,0]=4 7214 B10R0.1 CCCN(C)CCCCOC 269982a_100000747261_100000730899 [1,1,0,0,0,0|2,0,0]=4 7215 B10R0.1 CCCN(C)CCCOCC 2230a_100000747261_100012232248 [1,1,0,0,0,0|2,0,0]=4 7216 B10R0.1 CCCN(C)CCCOCC 269982a_100000747261_100012232248 [1,1,0,0,0,0|2,0,0]=4 7217 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [1,1,0,0,0,0|1,0,1]=4 7218 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [1,1,0,0,0,0|1,0,0]=3 7219 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [1,1,0,0,0,0|1,0,0]=3 7220 B10R0.1 CCCOCCN(C)CCC 2230a_100000747261_100011215938 [1,1,0,0,0,0|2,0,0]=4 7221 B10R0.1 CCCOCCN(C)CCC 269982a_100000747261_100011215938 [1,1,0,0,0,0|2,0,0]=4 7222 B10R0.1 CCCOCCN(C)CCO 2230a_100000210263_100011215938 [1,1,0,0,0,0|1,0,0]=3 7223 B10R0.1 CCCOCCN(C)CCO 269982a_100000210263_100011215938 [1,1,0,0,0,0|1,0,0]=3 7224 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [1,1,0,0,0,0|2,0,0]=4 7225 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [1,1,0,0,0,0|1,0,1]=4 7226 B10R0.1 CCOCCCN(C)CCO 2230a_100000210263_100012232248 [1,1,0,0,0,0|1,0,0]=3 7227 B10R0.1 CCOCCCN(C)CCO 269982a_100000210263_100012232248 [1,1,0,0,0,0|1,0,0]=3 7228 B10R0.1 CCOCCNC(C)CCO 2230a_102516460346_100009893172 [1,1,0,0,0,0|1,0,0]=3 7229 B10R0.1 CCOCCNC(C)CCO 34a_102516460346_100009893172 [1,1,0,0,0,0|1,0,0]=3 7230 B10R0.1 CCOCCN[C@H](C)CCO 2230a_100000706166_100011215890 [1,1,0,0,0,0|1,0,0]=3 7231 B10R0.1 CCOCCN[C@H](C)CCO 34a_100000706166_100000210147 [1,1,0,0,0,0|1,0,0]=3 7232 B10R0.1 CCOCCOC(C)CCBr 34a_100012276601_100000210147 [1,1,0,0,0,0|2,0,0]=4 7233 B10R0.1 CCOCCOC(C)CCO 34a_100000210136_100009893172 [1,1,0,0,0,0|1,0,0]=3 7234 B10R0.1 CCOCCOC(C)CCO 7a_100000210136_100009893172 [1,1,0,0,0,0|1,0,0]=3 7235 B10R0.1 CCOCCSC(C)CCO 62a_100000210147_100009893172 [1,1,0,0,0,0|1,0,0]=3 7236 B10R0.1 CCOCCSC(C)CCO 62a_100009893172_100011215890 [1,1,0,0,0,0|1,0,0]=3 7237 B10R0.1 CCSCCNC(C)CCO 2230a_100000106463_100009893172 [1,1,0,0,0,0|1,0,0]=3 7238 B10R0.1 CCSCCN[C@H](C)CCO 2230a_100000706166_100000757381 [1,1,0,0,0,0|1,0,0]=3 7239 B10R0.1 CCSCCN[C@H](C)CCO 34a_100000706166_100000757381 [1,1,0,0,0,0|1,0,0]=3 7240 B10R0.1 CCSCCOC(C)CCBr 34a_100012276601_100000757381 [1,1,0,0,0,0|2,0,0]=4 7241 B10R0.1 CCSCCOC(C)CCO 34a_100000212035_100009893172 [1,1,0,0,0,0|1,0,0]=3 7242 B10R0.1 CCSCCOC(C)CCO 7a_100000212035_100009893172 [1,1,0,0,0,0|1,0,0]=3 7243 B10R0.1 CCSCCSC(C)CCO 62a_100000757381_100009893172 [1,1,0,0,0,0|1,0,0]=3 7244 B10R0.1 CCSCCSC(C)CCO 62a_100009893172_100000757381 [1,1,0,0,0,0|1,0,0]=3 7245 B10R0.1 CN(CCF)CCCCCO 2230a_100000722520_100011217306 [1,1,0,0,0,0|2,0,0]=4 7246 B10R0.1 CN(CCF)CCCCCO 269982a_100000722520_100011217306 [1,1,0,0,0,0|2,0,0]=4 7247 B10R0.1 CN(CCO)CCCCC#N 2230a_100000210263_100000211819 [1,1,0,0,0,0|1,0,1]=4 7248 B10R0.1 CN(CCO)CCCCC#N 269982a_100000210263_100011219923 [1,1,0,0,0,0|1,0,1]=4 7249 B10R0.1 CN(CCO)CCCCC=O 2230a_100000210263_100000139335 [1,1,0,0,0,0|1,0,1]=4 7250 B10R0.1 CN(CCO)CCCCC=O 269982a_100000210263_100000139335 [1,1,0,0,0,0|1,0,1]=4 7251 B10R0.1 CN(CCO)CCCCCF 2230a_100000210263_100000729378 [1,1,0,0,0,0|1,0,0]=3 7252 B10R0.1 CN(CCO)CCCCCF 269982a_100000210263_100000729378 [1,1,0,0,0,0|1,0,0]=3 7253 B10R0.1 CN(CCO)CCCCCO 2230a_100000210263_100000746330 [1,1,0,0,0,0|1,0,0]=3 7254 B10R0.1 CN(CCO)CCCCCO 2230a_100000722520_100000211926 [1,1,0,0,0,0|1,0,0]=3 7255 B10R0.1 CN(CCO)CCCCCO 269982a_100000210263_100000746330 [1,1,0,0,0,0|1,0,0]=3 7256 B10R0.1 CN(CCO)CCCCCO 269982a_100000722520_100000211926 [1,1,0,0,0,0|1,0,0]=3 7257 B10R0.1 CN(CCO)CCOCCO 2230a_100000210263_100011215305 [1,1,0,0,0,0|2,0,0]=4 7258 B10R0.1 CN(CCO)CCOCCO 2230a_100000228057_100000211926 [1,1,0,0,0,0|2,0,0]=4 7259 B10R0.1 CN(CCO)CCOCCO 269982a_100000210263_100011215305 [1,1,0,0,0,0|2,0,0]=4 7260 B10R0.1 CN(CCO)CCOCCO 269982a_100000228057_100000211926 [1,1,0,0,0,0|2,0,0]=4 7261 B10R0.1 CNCCCOC(C)CCO 34a_100000213112_100009893172 [1,1,0,0,0,0|1,0,0]=3 7262 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [1,1,0,0,0,0|1,0,1]=4 7263 B10R0.1 COCCCCN(C)CCO 2230a_100000210263_100000730899 [1,1,0,0,0,0|1,0,0]=3 7264 B10R0.1 COCCCCN(C)CCO 269982a_100000210263_100000730899 [1,1,0,0,0,0|1,0,0]=3 7265 B10R0.1 COCCCNC(C)CCO 34a_100150723488_100009893172 [1,1,0,0,0,0|1,0,0]=3 7266 B10R0.1 COCCCN[C@H](C)CCO 2230a_100000706166_100000740836 [1,1,0,0,0,0|1,0,0]=3 7267 B10R0.1 COCCCN[C@H](C)CCO 34a_100000706166_100000740836 [1,1,0,0,0,0|1,0,0]=3 7268 B10R0.1 COCCCOC(C)CCBr 34a_100012276601_100000740836 [1,1,0,0,0,0|2,0,0]=4 7269 B10R0.1 COCCCOC(C)CCO 34a_100000740835_100009893172 [1,1,0,0,0,0|1,0,0]=3 7270 B10R0.1 COCCCSC(C)CCO 62a_100000709357_100009893172 [1,1,0,0,0,0|1,0,0]=3 7271 B10R0.1 COCCCSC(C)CCO 62a_100009893172_100000709357 [1,1,0,0,0,0|1,0,0]=3 7272 B10R0.1 COCCOCC(C)CCN 34a_106354213184_100011201679 [1,1,0,0,0,0|2,0,0]=4 7273 B10R0.1 COCCOCN(C)CCO 2230a_100000210263_100000231047 [1,1,0,0,0,0|2,0,0]=4 7274 B10R0.1 COCCOCN(C)CCO 269982a_100000210263_100000231047 [1,1,0,0,0,0|2,0,0]=4 7275 B10R0.1 CSCCCNC(C)CCO 2230a_100000749238_100009893172 [1,1,0,0,0,0|1,0,0]=3 7276 B10R0.1 CSCCCOC(C)CCO 34a_100000690336_100009893172 [1,1,0,0,0,0|1,0,0]=3 7277 B10R0.1 CSCCCOC(C)CCO 7a_100000690336_100009893172 [1,1,0,0,0,0|1,0,0]=3 7278 B10R0.1 CSCCOCC(C)CCN 34a_106354213184_100000212216 [1,1,0,0,0,0|2,0,0]=4 7279 B10R0.1 C[C@H](CCO)NCCCC#N 2230a_100000706166_100000687738 [1,1,0,0,0,0|1,0,1]=4 7280 B10R0.1 C[C@H](CCO)NCCCC=O 2230a_100000706166_200011292268 [1,1,0,0,0,0|1,0,1]=4 7281 B10R0.1 C[C@H](CCO)NCCCCF 2230a_100000706166_100000729493 [1,1,0,0,0,0|1,0,0]=3 7282 B10R0.1 C[C@H](CCO)NCCCCF 34a_100000706166_100000729493 [1,1,0,0,0,0|1,0,0]=3 7283 B10R0.1 C[C@H](CCO)NCCCCO 2230a_100000706166_100000210776 [1,1,0,0,0,0|1,0,0]=3 7284 B10R0.1 C[C@H](CCO)NCCCCO 34a_100000706166_100011216708 [1,1,0,0,0,0|1,0,0]=3 7285 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [1,1,0,0,0,0|1,0,1]=4 7286 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [1,1,0,0,0,0|1,0,1]=4 7287 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [1,1,0,0,0,0|1,0,1]=4 7288 B10R0.2 CC(CCO)N[C@H](C)CCO 2230a_100000706166_100009893172 [1,1,0,0,0,0|2,0,0]=4 7289 B10R0.2 CC(CCO)N[C@H](C)CCO 34a_100000706166_100009893172 [1,1,0,0,0,0|2,0,0]=4 7290 B10R0.2 CC(CCO)OC(C)CCBr 34a_100012276601_100009893172 [1,1,0,0,0,0|2,0,0]=4 7291 B10R0.2 CC(CCO)SC(C)CCO 62a_100009893172_100009893172 [1,1,0,0,0,0|2,0,0]=4 7292 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [1,1,0,0,0,0|1,0,1]=4 7293 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [1,1,0,0,0,0|1,0,1]=4 7294 B10R0.2 CCCC(=O)CN(C)CCO 2230a_100000210263_100000747444 [1,1,0,0,0,0|1,0,1]=4 7295 B10R0.2 CCCC(=O)CN(C)CCO 269982a_100000210263_100000747444 [1,1,0,0,0,0|1,0,1]=4 7296 B10R0.2 CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211992 [1,1,0,0,0,0|1,0,1]=4 7297 B10R0.2 CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000211992 [1,1,0,0,0,0|1,0,1]=4 7298 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [1,1,0,0,0,0|1,0,1]=4 7299 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [1,1,0,0,0,0|1,0,1]=4 7300 B10R0.2 CCCC(C)CN(C)CCC 2230a_100000747261_100011216630 [1,1,0,0,0,0|2,0,0]=4 7301 B10R0.2 CCCC(C)CN(C)CCC 269982a_100000747261_100011216630 [1,1,0,0,0,0|2,0,0]=4 7302 B10R0.2 CCCC(C)CN(C)CCC 270004a_100000747261_100000243154 [1,1,0,0,0,0|2,0,0]=4 7303 B10R0.2 CCCC(C)CN(C)CCO 2230a_100000210263_100011216630 [1,1,0,0,0,0|1,0,0]=3 7304 B10R0.2 CCCC(C)CN(C)CCO 269982a_100000210263_100011216630 [1,1,0,0,0,0|1,0,0]=3 7305 B10R0.2 CCCC(C)CN(C)CCO 270004a_100000210263_100000243154 [1,1,0,0,0,0|1,0,0]=3 7306 B10R0.2 CCCC(C)NC(C)CCC 2230a_100000741246_100000766640 [1,1,0,0,0,0|2,0,0]=4 7307 B10R0.2 CCCC(C)NC(C)CCC 270004a_100000741246_100000211909 [1,1,0,0,0,0|2,0,0]=4 7308 B10R0.2 CCCC(C)NC(C)CCO 2230a_100000741246_100009893172 [1,1,0,0,0,0|1,0,0]=3 7309 B10R0.2 CCCC(C)N[C@H](C)CCO 2230a_100000706166_100000766640 [1,1,0,0,0,0|1,0,0]=3 7310 B10R0.2 CCCC(C)N[C@H](C)CCO 270004a_100000706166_100000211909 [1,1,0,0,0,0|1,0,0]=3 7311 B10R0.2 CCCC(C)N[C@H](C)CCO 34a_100000706166_100000766640 [1,1,0,0,0,0|1,0,0]=3 7312 B10R0.2 CCCC(C)OC(C)CCBr 34a_100012276601_100000766640 [1,1,0,0,0,0|2,0,0]=4 7313 B10R0.2 CCCC(C)OC(C)CCC 34a_100000764384_100000766640 [1,1,0,0,0,0|2,0,0]=4 7314 B10R0.2 CCCC(C)OC(C)CCC 7a_100000764384_100000766640 [1,1,0,0,0,0|2,0,0]=4 7315 B10R0.2 CCCC(C)OC(C)CCO 34a_100000764384_100009893172 [1,1,0,0,0,0|1,0,0]=3 7316 B10R0.2 CCCC(C)OC(C)CCO 7a_100000764384_100009893172 [1,1,0,0,0,0|1,0,0]=3 7317 B10R0.2 CCCC(C)SC(C)CCC 62a_100000766640_100000766640 [1,1,0,0,0,0|2,0,0]=4 7318 B10R0.2 CCCC(C)SC(C)CCO 62a_100000766640_100009893172 [1,1,0,0,0,0|1,0,0]=3 7319 B10R0.2 CCCC(C)SC(C)CCO 62a_100009893172_100000766640 [1,1,0,0,0,0|1,0,0]=3 7320 B10R0.2 COCC(C)N[C@H](C)CCO 2230a_100000706166_100000765312 [1,1,0,0,0,0|2,0,0]=4 7321 B10R0.2 COCC(C)N[C@H](C)CCO 270004a_100000706166_100000749346 [1,1,0,0,0,0|2,0,0]=4 7322 B10R0.2 COCC(C)N[C@H](C)CCO 34a_100000706166_100000765312 [1,1,0,0,0,0|2,0,0]=4 7323 B10R0.2 COCC(C)SC(C)CCO 62a_100000765312_100009893172 [1,1,0,0,0,0|2,0,0]=4 7324 B10R0.2 COCC(C)SC(C)CCO 62a_100009893172_100000765312 [1,1,0,0,0,0|2,0,0]=4 7325 B10R0.2 COCC(O)CN(C)CCO 2230a_100000739405_100000211926 [1,1,0,0,0,0|2,0,0]=4 7326 B10R0.2 COCC(O)CN(C)CCO 269982a_100000739405_100000211926 [1,1,0,0,0,0|2,0,0]=4 7327 B10R0.2 COC[C@@H](C)NC(C)CCO 2230a_100000764878_100009893172 [1,1,0,0,0,0|2,0,0]=4 7328 B10R0.2 COC[C@@H](C)OC(C)CCO 34a_100011934205_100009893172 [1,1,0,0,0,0|2,0,0]=4 7329 B10R0.2 CSCC(C)N[C@H](C)CCO 270004a_100000706166_100011216314 [1,1,0,0,0,0|2,0,0]=4 7330 B10R0.19 CC(CCO)N(C)CCCF 2230a_100000731037_100011934791 [1,1,0,0,0,0|2,0,0]=4 7331 B10R0.19 CC(CCO)N(C)CCCF 269982a_100000731037_100011934791 [1,1,0,0,0,0|2,0,0]=4 7332 B10R0.19 CC(CCO)N(C)CCCO 2230a_100000213112_100009893172 [1,1,0,0,0,0|2,0,0]=4 7333 B10R0.19 CC(CCO)N(C)CCCO 2230a_100000731037_100000230001 [1,1,0,0,0,0|2,0,0]=4 7334 B10R0.19 CC(CCO)N(C)CCCO 269982a_100000213112_100009893172 [1,1,0,0,0,0|2,0,0]=4 7335 B10R0.19 CC(CCO)N(C)CCCO 269982a_100000731037_100011215043 [1,1,0,0,0,0|2,0,0]=4 7336 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210183_100000766640 [1,1,0,0,0,0|1,0,1]=4 7337 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210906_100000210211 [1,1,0,0,0,0|1,0,1]=4 7338 B10R0.19 CCCCC(=O)C(C)CCO 1458a_100000210183_100009893172 [1,1,0,0,0,0|0,0,1]=3 7339 B10R0.19 CCCCC(=O)N(C)CCO 240690a_100000210263_100000210183 [1,1,0,0,0,0|1,0,1]=4 7340 B10R0.19 CCCCC(=O)N(C)CCO 527a_100000210263_100000210183 [1,1,0,0,0,0|1,0,1]=4 7341 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [1,1,0,0,0,0|1,0,1]=4 7342 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [1,1,0,0,0,0|1,0,1]=4 7343 B10R0.19 CCCCC(C)N(C)CCC 2230a_100000747261_200011215066 [1,1,0,0,0,0|2,0,0]=4 7344 B10R0.19 CCCCC(C)N(C)CCC 269982a_100000747261_200011215066 [1,1,0,0,0,0|2,0,0]=4 7345 B10R0.19 CCCCC(C)N(C)CCC 270004a_100000747261_100000210087 [1,1,0,0,0,0|2,0,0]=4 7346 B10R0.19 CCCCC(C)N(C)CCO 2230a_100000210263_200011215066 [1,1,0,0,0,0|1,0,0]=3 7347 B10R0.19 CCCCC(C)N(C)CCO 269982a_100000210263_200011215066 [1,1,0,0,0,0|1,0,0]=3 7348 B10R0.19 CCCCC(C)N(C)CCO 270004a_100000210263_100000210087 [1,1,0,0,0,0|1,0,0]=3 7349 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [1,1,0,0,0,0|1,0,1]=4 7350 B10R0.19 CCCCN(C)C(C)CCC 2230a_100000207549_100000766640 [1,1,0,0,0,0|2,0,0]=4 7351 B10R0.19 CCCCN(C)C(C)CCC 269982a_100000207549_100000766640 [1,1,0,0,0,0|2,0,0]=4 7352 B10R0.19 CCCCN(C)C(C)CCC 270004a_100000207549_100000211909 [1,1,0,0,0,0|2,0,0]=4 7353 B10R0.19 CCCCN(C)C(C)CCO 2230a_100000207549_100009893172 [1,1,0,0,0,0|1,0,0]=3 7354 B10R0.19 CCCCN(C)C(C)CCO 2230a_100000731037_100000210211 [1,1,0,0,0,0|1,0,0]=3 7355 B10R0.19 CCCCN(C)C(C)CCO 269982a_100000207549_100009893172 [1,1,0,0,0,0|1,0,0]=3 7356 B10R0.19 CCCCN(C)C(C)CCO 269982a_100000731037_100000210211 [1,1,0,0,0,0|1,0,0]=3 7357 B10R0.19 CCCNC(C)C(C)CCC 270004a_100020643023_100011216282 [1,1,0,0,0,0|2,0,0]=4 7358 B10R0.19 CCCOC(C)C(C)CCC 34a_100000708338_100000210303 [1,1,0,0,0,0|2,0,0]=4 7359 B10R0.19 CCCOC(C)C(C)CCC 7a_100000708338_100000210303 [1,1,0,0,0,0|2,0,0]=4 7360 B10R0.19 CCOCC(=O)C(C)CCO 1458a_100000211967_100009893172 [1,1,0,0,0,0|1,0,1]=4 7361 B10R0.19 CCOCN(C)C(C)CCO 269982a_100000731037_100000739092 [1,1,0,0,0,0|2,0,0]=4 7362 B10R0.19 CCSCC(=O)C(C)CCO 1458a_100000230394_100009893172 [1,1,0,0,0,0|1,0,1]=4 7363 B10R0.19 CCSCC(C)N(C)CCO 270004a_100000210263_200011216171 [1,1,0,0,0,0|2,0,0]=4 7364 B10R0.19 COCCC(=O)C(C)CCO 1458a_100000749529_100009893172 [1,1,0,0,0,0|1,0,1]=4 7365 B10R0.19 COCCC(C)N(C)CCO 270004a_100000210263_100000742357 [1,1,0,0,0,0|2,0,0]=4 7366 B10R0.19 COCCN(C)C(C)CCO 2230a_100000731037_100011201679 [1,1,0,0,0,0|2,0,0]=4 7367 B10R0.19 COCCN(C)C(C)CCO 2230a_100000743101_100009893172 [1,1,0,0,0,0|2,0,0]=4 7368 B10R0.19 COCCN(C)C(C)CCO 269982a_100000731037_100000233755 [1,1,0,0,0,0|2,0,0]=4 7369 B10R0.19 COCCN(C)C(C)CCO 269982a_100000743101_100009893172 [1,1,0,0,0,0|2,0,0]=4 7370 B10R0.19 CSCCC(=O)C(C)CCO 1458a_100000174002_100009893172 [1,1,0,0,0,0|1,0,1]=4 7371 B10R0.19 CSCCC(C)N(C)CCO 270004a_100000210263_100011217047 [1,1,0,0,0,0|2,0,0]=4 7372 B10R0.19 CSCCN(C)C(C)CCO 2230a_100000686725_100009893172 [1,1,0,0,0,0|2,0,0]=4 7373 B10R0.19 CSCCN(C)C(C)CCO 2230a_100000731037_100000751147 [1,1,0,0,0,0|2,0,0]=4 7374 B10R0.19 CSCCN(C)C(C)CCO 269982a_100000686725_100009893172 [1,1,0,0,0,0|2,0,0]=4 7375 B10R0.19 CSCCN(C)C(C)CCO 269982a_100000731037_100000212216 [1,1,0,0,0,0|2,0,0]=4 7376 B10R0.24 C=CCC(CCCCC)OC 34a_200011216309_200000210301 [1,1,0,0,0,0|1,0,1]=4 7377 B10R0.24 C=CCC(CCCCC)OC 7a_200011216309_200000210301 [1,1,0,0,0,0|1,0,1]=4 7378 B10R0.24 C=CCC(CCCCC)O[13CH3] 34a_200011216309_200025704644 [1,1,0,0,0,0|1,0,1]=4 7379 B10R0.24 C=CCC(CCCCC)O[13CH3] 7a_200011216309_200025704644 [1,1,0,0,0,0|1,0,1]=4 7380 B10R0.24 CCCC(CCOCC)SC 34a_100000032865_100000210202 [1,1,0,0,0,0|2,0,0]=4 7381 B10R0.24 CCCC(CCOCC)SC 7a_100000032865_100000210202 [1,1,0,0,0,0|2,0,0]=4 7382 B10R0.24 CCCCCC(CC)NCC 270004a_100015525214_100011215316 [1,1,0,0,0,0|2,0,0]=4 7383 B10R0.24 CCCCCC(CC)OCC 34a_100011215405_100000210202 [1,1,0,0,0,0|2,0,0]=4 7384 B10R0.24 CCCCCC(CC)OCC 7a_100011215405_100000210202 [1,1,0,0,0,0|2,0,0]=4 7385 B10R0.24 CCCCCC(CC)OCF 34a_100011215405_100015361967 [1,1,0,0,0,0|2,0,0]=4 7386 B10R0.24 CCCCCC(CC)OCF 7a_100011215405_100015361967 [1,1,0,0,0,0|2,0,0]=4 7387 B10R0.24 CCCCCC(CCC)NC 270004a_106832991635_200011216343 [1,1,0,0,0,0|1,0,0]=3 7388 B10R0.24 CCCCCC(CCC)OC 34a_200011215058_200000210301 [1,1,0,0,0,0|1,0,0]=3 7389 B10R0.24 CCCCCC(CCC)OC 7a_200011215058_200000210301 [1,1,0,0,0,0|1,0,0]=3 7390 B10R0.24 CCCCCC(CCC)O[13CH3] 34a_200011215058_200025704644 [1,1,0,0,0,0|1,0,0]=3 7391 B10R0.24 CCCCCC(CCC)O[13CH3] 7a_200011215058_200025704644 [1,1,0,0,0,0|1,0,0]=3 7392 B10R0.24 CCCCCN(CC)CCC 2230a_100000226822_100000210326 [1,1,0,0,0,0|2,0,0]=4 7393 B10R0.24 CCCCCN(CC)CCC 2230a_200000226819_100000210202 [1,1,0,0,0,0|2,0,0]=4 7394 B10R0.24 CCCCCN(CC)CCC 269982a_100000226822_100000210215 [1,1,0,0,0,0|2,0,0]=4 7395 B10R0.24 CCCCCN(CC)CCC 269982a_200000226819_100000204670 [1,1,0,0,0,0|2,0,0]=4 7396 B10R0.24 CCCCCN(CC)CCO 2230a_100000210973_100000210326 [1,1,0,0,0,0|1,0,0]=3 7397 B10R0.24 CCCCCN(CC)CCO 2230a_100000224656_100000210202 [1,1,0,0,0,0|1,0,0]=3 7398 B10R0.24 CCCCCN(CC)CCO 269982a_100000210973_100000210215 [1,1,0,0,0,0|1,0,0]=3 7399 B10R0.24 CCCCCN(CC)CCO 269982a_100000224656_100000204670 [1,1,0,0,0,0|1,0,0]=3 7400 B10R0.24 CCCCCN(CF)CCC 269982a_200000226819_100015361967 [1,1,0,0,0,0|2,0,0]=4 7401 B10R0.24 CCCCCN(CF)CCO 269982a_100000224656_100015361967 [1,1,0,0,0,0|1,0,0]=3 7402 B10R0.24 CCCCNC(CC)CCC 2230a_100000747048_100000210211 [1,1,0,0,0,0|2,0,0]=4 7403 B10R0.24 CCCCNC(CC)CCC 270004a_100000102301_100000687865 [1,1,0,0,0,0|2,0,0]=4 7404 B10R0.24 CCCCNC(CC)CCC 7a_106832991798_100011219200 [1,1,0,0,0,0|2,0,0]=4 7405 B10R0.24 CCCCN[C@H](CO)CCC 2230a_100000732646_100000210211 [1,1,0,0,0,0|2,0,0]=4 7406 B10R0.24 CCCCN[C@H](CO)CCC 34a_100000732646_100000210210 [1,1,0,0,0,0|2,0,0]=4 7407 B10R0.24 CCCCOC(CC)CCC 34a_100000687864_100000210210 [1,1,0,0,0,0|2,0,0]=4 7408 B10R0.24 CCCCOC(CC)CCC 7a_100000210227_100011219200 [1,1,0,0,0,0|2,0,0]=4 7409 B10R0.24 CCCCOC(CC)CCC 7a_100000687864_100000210211 [1,1,0,0,0,0|2,0,0]=4 7410 B10R0.24 CCCCSC(CC)CCC 62a_100000210211_100011219200 [1,1,0,0,0,0|2,0,0]=4 7411 B10R0.24 CCCCSC(CC)CCC 62a_100011219200_100000210210 [1,1,0,0,0,0|2,0,0]=4 7412 B10R0.24 CCN(CCO)CCCCF 2230a_100000210973_100000729493 [1,1,0,0,0,0|2,0,0]=4 7413 B10R0.24 CCN(CCO)CCCCF 269982a_100000210973_100000729493 [1,1,0,0,0,0|2,0,0]=4 7414 B10R0.24 CCN(CCO)CCCCO 2230a_100000210973_100000210776 [1,1,0,0,0,0|2,0,0]=4 7415 B10R0.24 CCN(CCO)CCCCO 2230a_100011217355_100000211926 [1,1,0,0,0,0|2,0,0]=4 7416 B10R0.24 CCN(CCO)CCCCO 269982a_100000210973_100000210776 [1,1,0,0,0,0|2,0,0]=4 7417 B10R0.24 CCN(CCO)CCCCO 269982a_100011217355_100000211926 [1,1,0,0,0,0|2,0,0]=4 7418 B10R0.24 CCN(CCO)CCCOC 2230a_100000210973_100000740836 [1,1,0,0,0,0|2,0,0]=4 7419 B10R0.24 CCN(CCO)CCCOC 269982a_100000210973_100000740836 [1,1,0,0,0,0|2,0,0]=4 7420 B10R0.24 CCOCCN(CC)CCO 2230a_100000210973_100011215890 [1,1,0,0,0,0|2,0,0]=4 7421 B10R0.24 CCOCCN(CC)CCO 269982a_100000210973_100011215890 [1,1,0,0,0,0|2,0,0]=4 7422 B10R0.24 CCSCCN(CC)CCO 2230a_100000210973_100000757381 [1,1,0,0,0,0|2,0,0]=4 7423 B10R0.24 CCSCCN(CC)CCO 269982a_100000210973_100000757381 [1,1,0,0,0,0|2,0,0]=4 7424 B10R0.83 CC(CO)N(C)CCCCF 2230a_100000693034_100000729493 [1,1,0,0,0,0|2,0,0]=4 7425 B10R0.83 CC(CO)N(C)CCCCF 269982a_100000693034_100000729493 [1,1,0,0,0,0|2,0,0]=4 7426 B10R0.83 CC(CO)N(C)CCCCO 2230a_100000693034_100000210776 [1,1,0,0,0,0|2,0,0]=4 7427 B10R0.83 CC(CO)N(C)CCCCO 2230a_100000717598_100012180447 [1,1,0,0,0,0|2,0,0]=4 7428 B10R0.83 CC(CO)N(C)CCCCO 269982a_100000693034_100000210776 [1,1,0,0,0,0|2,0,0]=4 7429 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [1,1,0,0,0,0|1,0,1]=4 7430 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [1,1,0,0,0,0|1,0,1]=4 7431 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [1,1,0,0,0,0|1,0,1]=4 7432 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [1,1,0,0,0,0|1,0,1]=4 7433 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [1,1,0,0,0,0|0,0,1]=3 7434 B10R0.83 CCCCCC(C)N(C)CC 2230a_100000225621_200011218191 [1,1,0,0,0,0|2,0,0]=4 7435 B10R0.83 CCCCCC(C)N(C)CC 269982a_100000225621_200011218191 [1,1,0,0,0,0|2,0,0]=4 7436 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [1,1,0,0,0,0|1,0,1]=4 7437 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [1,1,0,0,0,0|1,0,1]=4 7438 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000223495_100000758301 [1,1,0,0,0,0|2,0,0]=4 7439 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000741768_100000210326 [1,1,0,0,0,0|2,0,0]=4 7440 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000223495_100000758301 [1,1,0,0,0,0|2,0,0]=4 7441 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000741768_100000210215 [1,1,0,0,0,0|2,0,0]=4 7442 B10R0.83 CCCCCN(C)C(C)CO 2230a_100000223495_100012180447 [1,1,0,0,0,0|1,0,0]=3 7443 B10R0.83 CCCCCN(C)C(C)CO 2230a_100000693034_100000210326 [1,1,0,0,0,0|1,0,0]=3 7444 B10R0.83 CCCCCN(C)C(C)CO 269982a_100000693034_100000210215 [1,1,0,0,0,0|1,0,0]=3 7445 B10R0.83 CCCCCN(C)[C@H](C)CO 269982a_100000223495_100016084084 [1,1,0,0,0,0|1,0,0]=3 7446 B10R0.83 CCCCNC(C)C(C)CC 269862a_100000102301_100000210599 [1,1,0,0,0,0|2,0,0]=4 7447 B10R0.83 CCCCNC(C)C(C)CC 270004a_100000102301_100000210599 [1,1,0,0,0,0|2,0,0]=4 7448 B10R0.83 CCCCOC(C)C(C)CC 7a_100011215189_100000210211 [1,1,0,0,0,0|2,0,0]=4 7449 B10R0.83 CCOCCN(C)C(C)CO 2230a_100000693034_100011215890 [1,1,0,0,0,0|2,0,0]=4 7450 B10R0.83 CCOCCN(C)C(C)CO 269982a_100000693034_100011215890 [1,1,0,0,0,0|2,0,0]=4 7451 B10R0.83 CCSCCN(C)C(C)CO 2230a_100000693034_100000757381 [1,1,0,0,0,0|2,0,0]=4 7452 B10R0.83 CCSCCN(C)C(C)CO 269982a_100000693034_100000757381 [1,1,0,0,0,0|2,0,0]=4 7453 B10R0.83 COCCCN(C)C(C)CO 2230a_100000224831_100012180447 [1,1,0,0,0,0|2,0,0]=4 7454 B10R0.83 COCCCN(C)C(C)CO 2230a_100000693034_100000740836 [1,1,0,0,0,0|2,0,0]=4 7455 B10R0.83 COCCCN(C)C(C)CO 269982a_100000693034_100000740836 [1,1,0,0,0,0|2,0,0]=4 7456 B10R0.83 COCCCN(C)[C@H](C)CO 269982a_100000224831_100016084084 [1,1,0,0,0,0|2,0,0]=4 7457 B10R0.83 C[C@H](CO)N(C)CCCCO 269982a_100000717598_100016084084 [1,1,0,0,0,0|2,0,0]=4 7458 B10R0.91 C#CCCN(C)CCCCC 2230a_100000223495_100000688953 [1,1,0,0,0,0|2,0,0]=4 7459 B10R0.91 C#CCCN(C)CCCCC 269982a_100000223495_100000730999 [1,1,0,0,0,0|2,0,0]=4 7460 B10R0.91 C#CCNC(C)CCCCC 2230a_100000211957_100000038162 [1,1,0,0,0,0|1,0,1]=4 7461 B10R0.91 C#CCNC(C)CCCCC 34a_100000212058_200011218191 [1,1,0,0,0,0|1,0,1]=4 7462 B10R0.91 C#CCOC(C)CCCCC 34a_100000210247_200011218191 [1,1,0,0,0,0|1,0,1]=4 7463 B10R0.91 C#CCOC(C)CCCCC 34a_100011215632_100000184674 [1,1,0,0,0,0|1,0,1]=4 7464 B10R0.91 C#CCOC(C)CCCCC 7a_100011215632_100000038162 [1,1,0,0,0,0|1,0,1]=4 7465 B10R0.91 C#CCSC(C)CCCCC 62a_100000038162_200011218191 [1,1,0,0,0,0|1,0,1]=4 7466 B10R0.91 C=CCCC(C)NCCCC 270004a_100000102301_100000762624 [1,1,0,0,0,0|2,0,0]=4 7467 B10R0.91 C=CCCC(C)OCCCC 34a_100000765329_100000210210 [1,1,0,0,0,0|2,0,0]=4 7468 B10R0.91 C=CCCC(C)OCCCC 7a_100000765329_100000210211 [1,1,0,0,0,0|2,0,0]=4 7469 B10R0.91 C=CCCN(C)CCCCC 2230a_100000223495_100000754431 [1,1,0,0,0,0|2,0,0]=4 7470 B10R0.91 C=CCCN(C)CCCCC 2230a_100020639649_100000210326 [1,1,0,0,0,0|2,0,0]=4 7471 B10R0.91 C=CCCN(C)CCCCC 269982a_100000223495_100000754431 [1,1,0,0,0,0|2,0,0]=4 7472 B10R0.91 C=CCCN(C)CCCCC 269982a_100020639649_100000210215 [1,1,0,0,0,0|2,0,0]=4 7473 B10R0.91 C=CCNC(C)CCCCC 2230a_100000211957_100000210623 [1,1,0,0,0,0|1,0,1]=4 7474 B10R0.91 C=CCNC(C)CCCCC 2230a_100020586998_200011218191 [1,1,0,0,0,0|1,0,1]=4 7475 B10R0.91 C=CCNC(C)CCCCC 270004a_100020586998_100000211708 [1,1,0,0,0,0|1,0,1]=4 7476 B10R0.91 C=CCOC(C)CCCCC 34a_100011215632_100015514636 [1,1,0,0,0,0|1,0,1]=4 7477 B10R0.91 C=CCOC(C)CCCCC 34a_200000210373_200011218191 [1,1,0,0,0,0|1,0,1]=4 7478 B10R0.91 C=CCOC(C)CCCCC 7a_100011215632_100015514636 [1,1,0,0,0,0|1,0,1]=4 7479 B10R0.91 C=CCSC(C)CCCCC 62a_100000210623_200011218191 [1,1,0,0,0,0|1,0,1]=4 7480 B10R0.91 C=CCSC(C)CCCCC 62a_200011218191_100000210623 [1,1,0,0,0,0|1,0,1]=4 7481 B10R0.91 CC(CCCC#N)NCCO 270004a_100000210304_200000032708 [1,1,0,0,0,0|1,0,1]=4 7482 B10R0.91 CCC#CCC(C)OCCO 34a_200000035118_100000211926 [1,1,0,0,0,0|0,0,2]=4 7483 B10R0.91 CCC#CCC(C)OCCO 7a_200000035118_100000211926 [1,1,0,0,0,0|0,0,2]=4 7484 B10R0.91 CCCCC(C)COCCC 34a_100011995851_100000210303 [1,1,0,0,0,0|2,0,0]=4 7485 B10R0.91 CCCCC(C)COCCC 7a_100011995851_100000210303 [1,1,0,0,0,0|2,0,0]=4 7486 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [1,1,0,0,0,0|1,0,1]=4 7487 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [1,1,0,0,0,0|1,0,1]=4 7488 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [1,1,0,0,0,0|1,0,1]=4 7489 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [1,1,0,0,0,0|1,0,1]=4 7490 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [1,1,0,0,0,0|1,0,1]=4 7491 B10R0.91 CCCCCC(C)NCC#N 2230a_100000211957_100011215382 [1,1,0,0,0,0|1,0,1]=4 7492 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [1,1,0,0,0,0|0,0,2]=4 7493 B10R0.91 CCCCCC(C)NCCC 2230a_100000211957_100000210303 [1,1,0,0,0,0|1,0,0]=3 7494 B10R0.91 CCCCCC(C)NCCC 270004a_100020643023_100000211708 [1,1,0,0,0,0|1,0,0]=3 7495 B10R0.91 CCCCCC(C)NCCF 2230a_100000211957_100011217306 [1,1,0,0,0,0|1,0,0]=3 7496 B10R0.91 CCCCCC(C)NCCF 34a_100000724931_200011218191 [1,1,0,0,0,0|1,0,0]=3 7497 B10R0.91 CCCCCC(C)NCCO 2230a_100000211957_100000211926 [1,1,0,0,0,0|0,0,0]=2 7498 B10R0.91 CCCCCC(C)NCCO 2230a_100016997473_200011218191 [1,1,0,0,0,0|0,0,0]=2 7499 B10R0.91 CCCCCC(C)NCCO 270004a_100000210304_100000211708 [1,1,0,0,0,0|0,0,0]=2 7500 B10R0.91 CCCCCC(C)NCCO 34a_100016990907_200011218191 [1,1,0,0,0,0|0,0,0]=2 7501 B10R0.91 CCCCCC(C)NCOC 2230a_100000211957_100000766300 [1,1,0,0,0,0|1,0,0]=3 7502 B10R0.91 CCCCCC(C)NCSC 2230a_100000211957_100011218213 [1,1,0,0,0,0|1,1,0]=4 7503 B10R0.91 CCCCCC(C)OCC#N 7a_100011215632_100011215382 [1,1,0,0,0,0|1,0,1]=4 7504 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [1,1,0,0,0,0|0,0,2]=4 7505 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [1,1,0,0,0,0|0,0,2]=4 7506 B10R0.91 CCCCCC(C)OCCBr 34a_100000211926_200011218191 [1,1,0,0,0,0|1,0,0]=3 7507 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [1,1,0,0,0,0|1,0,0]=3 7508 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [1,1,0,0,0,0|1,0,0]=3 7509 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [1,1,0,0,0,0|1,0,0]=3 7510 B10R0.91 CCCCCC(C)OCCF 34a_100011215632_100011217306 [1,1,0,0,0,0|1,0,0]=3 7511 B10R0.91 CCCCCC(C)OCCF 7a_100011215632_100011217306 [1,1,0,0,0,0|1,0,0]=3 7512 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [1,1,0,0,0,0|1,0,0]=3 7513 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [1,1,0,0,0,0|0,0,0]=2 7514 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [1,1,0,0,0,0|0,0,0]=2 7515 B10R0.91 CCCCCC(C)OCSC 34a_100011215632_100011218213 [1,1,0,0,0,0|1,1,0]=4 7516 B10R0.91 CCCCCC(C)SCC#N 62a_100011215382_200011218191 [1,1,0,0,0,0|1,0,1]=4 7517 B10R0.91 CCCCCC(C)SCC#N 62a_200011218191_100011215382 [1,1,0,0,0,0|1,0,1]=4 7518 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [1,1,0,0,0,0|0,0,2]=4 7519 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [1,1,0,0,0,0|0,0,2]=4 7520 B10R0.91 CCCCCC(C)SCCC 62a_100000210303_200011218191 [1,1,0,0,0,0|1,0,0]=3 7521 B10R0.91 CCCCCC(C)SCCC 62a_200011218191_100000210303 [1,1,0,0,0,0|1,0,0]=3 7522 B10R0.91 CCCCCC(C)SCCF 62a_100011217306_200011218191 [1,1,0,0,0,0|1,0,0]=3 7523 B10R0.91 CCCCCC(C)SCCF 62a_200011218191_100011217306 [1,1,0,0,0,0|1,0,0]=3 7524 B10R0.91 CCCCCC(C)SCCO 62a_100000211926_200011218191 [1,1,0,0,0,0|0,0,0]=2 7525 B10R0.91 CCCCCC(C)SCCO 62a_200011218191_100000211926 [1,1,0,0,0,0|0,0,0]=2 7526 B10R0.91 CCCCCC(C)SCOC 62a_100000766300_200011218191 [1,1,0,0,0,0|1,0,0]=3 7527 B10R0.91 CCCCCC(C)SCOC 62a_200011218191_100000766300 [1,1,0,0,0,0|1,0,0]=3 7528 B10R0.91 CCCCCC(C)SCSC 62a_100011218213_200011218191 [1,1,0,0,0,0|1,1,0]=4 7529 B10R0.91 CCCCCC(C)SCSC 62a_200011218191_100011218213 [1,1,0,0,0,0|1,1,0]=4 7530 B10R0.91 CCCCCN(C)CCC#N 2230a_100000184479_100000210326 [1,1,0,0,0,0|2,0,0]=4 7531 B10R0.91 CCCCCN(C)CCC#N 2230a_100000223495_100011215226 [1,1,0,0,0,0|2,0,0]=4 7532 B10R0.91 CCCCCN(C)CCC#N 2230a_200000177445_200000210301 [1,1,0,0,0,0|2,0,0]=4 7533 B10R0.91 CCCCCN(C)CCC#N 269982a_100000223495_100011215226 [1,1,0,0,0,0|2,0,0]=4 7534 B10R0.91 CCCCCN(C)CCCC 2230a_100000207549_100000210326 [1,1,0,0,0,0|2,0,0]=4 7535 B10R0.91 CCCCCN(C)CCCC 2230a_100000223495_100000210211 [1,1,0,0,0,0|2,0,0]=4 7536 B10R0.91 CCCCCN(C)CCCC 269982a_100000207549_100000210215 [1,1,0,0,0,0|2,0,0]=4 7537 B10R0.91 CCCCCN(C)CCCC 269982a_100000223495_100000210211 [1,1,0,0,0,0|2,0,0]=4 7538 B10R0.91 CCCCCN(C)CCCF 2230a_100000223495_100011934791 [1,1,0,0,0,0|2,0,0]=4 7539 B10R0.91 CCCCCN(C)CCCF 269982a_100000223495_100011934791 [1,1,0,0,0,0|2,0,0]=4 7540 B10R0.91 CCCCCN(C)CCCO 2230a_100000213112_100000210326 [1,1,0,0,0,0|1,0,0]=3 7541 B10R0.91 CCCCCN(C)CCCO 2230a_100000223495_100000230001 [1,1,0,0,0,0|1,0,0]=3 7542 B10R0.91 CCCCCN(C)CCCO 269982a_100000213112_100000210215 [1,1,0,0,0,0|1,0,0]=3 7543 B10R0.91 CCCCCN(C)CCCO 269982a_100000223495_100011215043 [1,1,0,0,0,0|1,0,0]=3 7544 B10R0.91 CCCCCN(C)CCOC 2230a_100000223495_100011201679 [1,1,0,0,0,0|1,0,0]=3 7545 B10R0.91 CCCCCN(C)CCOC 2230a_100000743101_100000210326 [1,1,0,0,0,0|1,0,0]=3 7546 B10R0.91 CCCCCN(C)CCOC 269982a_100000223495_100000233755 [1,1,0,0,0,0|1,0,0]=3 7547 B10R0.91 CCCCCN(C)CCOC 269982a_100000743101_100000210215 [1,1,0,0,0,0|1,0,0]=3 7548 B10R0.91 CCCCCN(C)CCSC 2230a_100000223495_100000751147 [1,1,0,0,0,0|1,1,0]=4 7549 B10R0.91 CCCCCN(C)CCSC 2230a_100000686725_100000210326 [1,1,0,0,0,0|1,1,0]=4 7550 B10R0.91 CCCCCN(C)CCSC 269982a_100000223495_100000212216 [1,1,0,0,0,0|1,1,0]=4 7551 B10R0.91 CCCCCN(C)CCSC 269982a_100000686725_100000210215 [1,1,0,0,0,0|1,1,0]=4 7552 B10R0.91 CCCCCN(C)COCC 269982a_100000223495_100000739092 [1,1,0,0,0,0|2,0,0]=4 7553 B10R0.91 CCCCCN([13CH3])CCC#N 2230a_200000177445_200025704644 [1,1,0,0,0,0|2,0,0]=4 7554 B10R0.91 CCCCNC(C)CCCC 2230a_100000102301_200011215066 [1,1,0,0,0,0|2,0,0]=4 7555 B10R0.91 CCCCNC(C)CCCC 2230a_100000126638_100000210211 [1,1,0,0,0,0|2,0,0]=4 7556 B10R0.91 CCCCNC(C)CCCC 270004a_100000102301_100000210087 [1,1,0,0,0,0|2,0,0]=4 7557 B10R0.91 CCCCNC(C)CCCC 7a_106832991798_200011215066 [1,1,0,0,0,0|2,0,0]=4 7558 B10R0.91 CCCCNC(C)CCOC 270004a_100000102301_100000742357 [1,1,0,0,0,0|1,0,0]=3 7559 B10R0.91 CCCCNC(C)CCSC 270004a_100000102301_100011217047 [1,1,0,0,0,0|1,1,0]=4 7560 B10R0.91 CCCCNC(C)CSCC 270004a_100000102301_200011216171 [1,1,0,0,0,0|2,0,0]=4 7561 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [1,1,0,0,0,0|2,0,0]=4 7562 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [1,1,0,0,0,0|2,0,0]=4 7563 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [1,1,0,0,0,0|2,0,0]=4 7564 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [1,1,0,0,0,0|2,0,0]=4 7565 B10R0.91 CCCCOC(C)CCCCl 34a_200000718107_100000210210 [1,1,0,0,0,0|2,0,0]=4 7566 B10R0.91 CCCCOC(C)CCCCl 7a_200000718107_100000210211 [1,1,0,0,0,0|2,0,0]=4 7567 B10R0.91 CCCCOC(C)COCC 34a_100000718985_100000210210 [1,1,0,0,0,0|2,0,0]=4 7568 B10R0.91 CCCCOC(C)COCC 7a_100000718985_100000210211 [1,1,0,0,0,0|2,0,0]=4 7569 B10R0.91 CCCCSC(C)CCCC 62a_100000210211_200011215066 [1,1,0,0,0,0|2,0,0]=4 7570 B10R0.91 CCCCSC(C)CCCC 62a_200011215066_100000210210 [1,1,0,0,0,0|2,0,0]=4 7571 B10R0.91 CCCNC(C)CCCSC 270004a_100020643023_100011399439 [1,1,0,0,0,0|2,0,0]=4 7572 B10R0.91 CCCNC(C)CCOCC 270004a_100020643023_200011216536 [1,1,0,0,0,0|2,0,0]=4 7573 B10R0.91 CCCNC(C)CSCCC 270004a_100020643023_100011343953 [1,1,0,0,0,0|2,0,0]=4 7574 B10R0.91 CCCNCC(C)OCCC 2230a_100015185124_100000210303 [1,1,0,0,0,0|2,0,0]=4 7575 B10R0.91 CCCNCC(C)OCCC 34a_100015185124_100000210303 [1,1,0,0,0,0|2,0,0]=4 7576 B10R0.91 CCCNC[C@H](C)CCCO 2230a_100160569302_100000210303 [1,1,0,0,0,0|1,0,0]=3 7577 B10R0.91 CCCNC[C@H](C)CCCO 34a_100160569302_100000210303 [1,1,0,0,0,0|1,0,0]=3 7578 B10R0.91 CCCOC(C)CCCOC 34a_200011539412_100000210303 [1,1,0,0,0,0|2,0,0]=4 7579 B10R0.91 CCCOC(C)CCCOC 7a_200011539412_100000210303 [1,1,0,0,0,0|2,0,0]=4 7580 B10R0.91 CCCOC[C@@H](C)OCOC 34a_100016172286_100000210303 [1,1,0,0,0,0|2,0,0]=4 7581 B10R0.91 CCCOC[C@@H](C)OCOC 7a_100016172286_100000210303 [1,1,0,0,0,0|2,0,0]=4 7582 B10R0.91 CCCSCC(C)NCCO 270004a_100000210304_100011343953 [1,1,0,0,0,0|1,0,0]=3 7583 B10R0.91 CCOCCC(C)NCCO 270004a_100000210304_200011216536 [1,1,0,0,0,0|1,0,0]=3 7584 B10R0.91 CCOCCN(C)CCCO 2230a_100000213112_100011215890 [1,1,0,0,0,0|2,0,0]=4 7585 B10R0.91 CCOCCN(C)CCCO 269982a_100000213112_100011215890 [1,1,0,0,0,0|2,0,0]=4 7586 B10R0.91 CCOCCN(C)CCOC 2230a_100000743101_100011215890 [1,1,0,0,0,0|2,0,0]=4 7587 B10R0.91 CCOCCN(C)CCOC 269982a_100000743101_100011215890 [1,1,0,0,0,0|2,0,0]=4 7588 B10R0.91 CCSCCN(C)CCCO 2230a_100000213112_100000757381 [1,1,0,0,0,0|2,0,0]=4 7589 B10R0.91 CCSCCN(C)CCCO 269982a_100000213112_100000757381 [1,1,0,0,0,0|2,0,0]=4 7590 B10R0.91 CCSCCN(C)CCOC 2230a_100000743101_100000757381 [1,1,0,0,0,0|2,0,0]=4 7591 B10R0.91 CCSCCN(C)CCOC 269982a_100000743101_100000757381 [1,1,0,0,0,0|2,0,0]=4 7592 B10R0.91 CN(CCCO)CCCCF 2230a_100000213112_100000729493 [1,1,0,0,0,0|2,0,0]=4 7593 B10R0.91 CN(CCCO)CCCCF 269982a_100000213112_100000729493 [1,1,0,0,0,0|2,0,0]=4 7594 B10R0.91 CN(CCCO)CCCCO 2230a_100000213112_100000210776 [1,1,0,0,0,0|2,0,0]=4 7595 B10R0.91 CN(CCCO)CCCCO 2230a_100000717598_100000230001 [1,1,0,0,0,0|2,0,0]=4 7596 B10R0.91 CN(CCCO)CCCCO 269982a_100000213112_100000210776 [1,1,0,0,0,0|2,0,0]=4 7597 B10R0.91 CN(CCCO)CCCCO 269982a_100000717598_100011215043 [1,1,0,0,0,0|2,0,0]=4 7598 B10R0.91 COCCC(C)NCCCF 270004a_100015189416_100000742357 [1,1,0,0,0,0|2,0,0]=4 7599 B10R0.91 COCCC(C)NCCCO 270004a_100000182051_100000742357 [1,1,0,0,0,0|2,0,0]=4 7600 B10R0.91 COCCC(C)NCCSC 270004a_100020590264_100000742357 [1,1,0,0,0,0|2,0,0]=4 7601 B10R0.91 COCCCC(C)OCCF 34a_200011539412_100011217306 [1,1,0,0,0,0|2,0,0]=4 7602 B10R0.91 COCCCC(C)OCCF 7a_200011539412_100011217306 [1,1,0,0,0,0|2,0,0]=4 7603 B10R0.91 COCCCC(C)OCCO 34a_200011539412_100000211926 [1,1,0,0,0,0|1,0,0]=3 7604 B10R0.91 COCCCC(C)OCCO 7a_200011539412_100000211926 [1,1,0,0,0,0|1,0,0]=3 7605 B10R0.91 COCCCN(C)CCCO 2230a_100000213112_100000740836 [1,1,0,0,0,0|2,0,0]=4 7606 B10R0.91 COCCCN(C)CCCO 2230a_100000224831_100000230001 [1,1,0,0,0,0|2,0,0]=4 7607 B10R0.91 COCCCN(C)CCCO 269982a_100000213112_100000740836 [1,1,0,0,0,0|2,0,0]=4 7608 B10R0.91 COCCCN(C)CCCO 269982a_100000224831_100011215043 [1,1,0,0,0,0|2,0,0]=4 7609 B10R0.91 COCCCN(C)CCOC 2230a_100000224831_100011201679 [1,1,0,0,0,0|2,0,0]=4 7610 B10R0.91 COCCCN(C)CCOC 2230a_100000743101_100000740836 [1,1,0,0,0,0|2,0,0]=4 7611 B10R0.91 COCCCN(C)CCOC 269982a_100000224831_100000233755 [1,1,0,0,0,0|2,0,0]=4 7612 B10R0.91 COCCCN(C)CCOC 269982a_100000743101_100000740836 [1,1,0,0,0,0|2,0,0]=4 7613 B10R0.91 COCCN(C)CCCCF 2230a_100000743101_100000729493 [1,1,0,0,0,0|2,0,0]=4 7614 B10R0.91 COCCN(C)CCCCF 269982a_100000743101_100000729493 [1,1,0,0,0,0|2,0,0]=4 7615 B10R0.91 COCCN(C)CCCCO 2230a_100000717598_100011201679 [1,1,0,0,0,0|2,0,0]=4 7616 B10R0.91 COCCN(C)CCCCO 2230a_100000743101_100000210776 [1,1,0,0,0,0|2,0,0]=4 7617 B10R0.91 COCCN(C)CCCCO 269982a_100000717598_100000233755 [1,1,0,0,0,0|2,0,0]=4 7618 B10R0.91 COCCN(C)CCCCO 269982a_100000743101_100000210776 [1,1,0,0,0,0|2,0,0]=4 7619 B10R0.91 COCCNC(C)CCOC 270004a_100000209980_100000742357 [1,1,0,0,0,0|2,0,0]=4 7620 B10R0.91 COCNC[C@H](C)CCCO 2230a_100160569302_100000766300 [1,1,0,0,0,0|2,0,0]=4 7621 B10R0.91 CSCCCC(C)NCCO 270004a_100000210304_100011399439 [1,1,0,0,0,0|1,0,0]=3 7622 B10R0.91 CSCNC[C@H](C)CCCO 2230a_100160569302_100011218213 [1,1,0,0,0,0|2,0,0]=4 7623 B10R0.91 CSCNC[C@H](C)CCCO 34a_100160569302_100011218213 [1,1,0,0,0,0|2,0,0]=4 7624 B10R0.91 C[C@H](CCCO)CNCCF 2230a_100160569302_100011217306 [1,1,0,0,0,0|2,0,0]=4 7625 B10R0.91 C[C@H](CCCO)CNCCF 34a_100160569302_100011217306 [1,1,0,0,0,0|2,0,0]=4 7626 B10R0.91 C[C@H](CCCO)CNCCO 2230a_100160569302_100000211926 [1,1,0,0,0,0|2,0,0]=4 7627 B10R0.91 C[C@H](CCCO)CNCCO 34a_100160569302_100000211926 [1,1,0,0,0,0|2,0,0]=4 7628 B10R0.108 CC(CCO)NC[C@@H](F)CO 34a_100015665980_100009893172 [1,1,0,0,0,0|2,0,0]=4 7629 B10R0.108 CC(CCO)NC[C@H](O)CO 2230a_100020644852_100009893172 [1,1,0,0,0,0|2,0,0]=4 7630 B10R0.108 CC(CCO)OCC(Cl)CCl 34a_100000033668_100009893172 [1,1,0,0,0,0|2,0,0]=4 7631 B10R0.108 CC(CCO)OC[C@H](F)CN 34a_100015665980_100009893172 [1,1,0,0,0,0|2,0,0]=4 7632 B10R0.108 CC(CCO)SCC(O)CO 62a_100009893172_100011219619 [1,1,0,0,0,0|2,0,0]=4 7633 B10R0.108 CC(CCO)SCC(O)CO 62a_100011219619_100009893172 [1,1,0,0,0,0|2,0,0]=4 7634 B10R0.108 CC(CCO)SC[C@@H](C)CO 62a_100000059175_100009893172 [1,1,0,0,0,0|2,0,0]=4 7635 B10R0.108 CC(CCO)SC[C@@H](C)CO 62a_100009893172_100000059175 [1,1,0,0,0,0|2,0,0]=4 7636 B10R0.108 CC(CCO)SC[C@@H](O)CF 62a_100009893172_100015614560 [1,1,0,0,0,0|2,0,0]=4 7637 B10R0.108 CC(CCO)SC[C@@H](O)CF 62a_100015614560_100009893172 [1,1,0,0,0,0|2,0,0]=4 7638 B10R0.108 CC(CCO)SC[C@@H](O)CO 62a_100009815848_100009893172 [1,1,0,0,0,0|2,0,0]=4 7639 B10R0.108 CC(CCO)SC[C@@H](O)CO 62a_100009893172_100009815848 [1,1,0,0,0,0|2,0,0]=4 7640 B10R0.108 CC(CN)COC(C)CCO 34a_100000744482_100009893172 [1,1,0,0,0,0|2,0,0]=4 7641 B10R0.108 CC(CO)CNC(C)CCO 34a_100000744482_100009893172 [1,1,0,0,0,0|2,0,0]=4 7642 B10R0.108 CCC(=O)COC(C)CCO 34a_100000725409_100009893172 [1,1,0,0,0,0|1,0,1]=4 7643 B10R0.108 CCC(=O)CSC(C)CCO 62a_100000747405_100009893172 [1,1,0,0,0,0|1,0,1]=4 7644 B10R0.108 CCC(=O)CSC(C)CCO 62a_100009893172_100000747405 [1,1,0,0,0,0|1,0,1]=4 7645 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [1,1,0,0,0,0|1,0,1]=4 7646 B10R0.108 CCC(C)CCC(C)OCF 7a_200011216552_100015361967 [1,1,0,0,0,0|2,0,0]=4 7647 B10R0.108 CCC(C)CNC(C)CCO 2230a_100020588543_100009893172 [1,1,0,0,0,0|1,0,0]=3 7648 B10R0.108 CCC(C)CN[C@H](C)CCO 2230a_100000706166_100000748023 [1,1,0,0,0,0|1,0,0]=3 7649 B10R0.108 CCC(C)CN[C@H](C)CCO 270004a_100000706166_100000243153 [1,1,0,0,0,0|1,0,0]=3 7650 B10R0.108 CCC(C)CN[C@H](C)CCO 34a_100000706166_100000748023 [1,1,0,0,0,0|1,0,0]=3 7651 B10R0.108 CCC(C)COC(C)CCBr 34a_100012276601_100000748023 [1,1,0,0,0,0|2,0,0]=4 7652 B10R0.108 CCC(C)CSC(C)CCO 62a_100000748023_100009893172 [1,1,0,0,0,0|1,0,0]=3 7653 B10R0.108 CCC(C)CSC(C)CCO 62a_100009893172_100000748023 [1,1,0,0,0,0|1,0,0]=3 7654 B10R0.108 CCC(C)OCC(C)CCN 34a_106354213184_100011215416 [1,1,0,0,0,0|2,0,0]=4 7655 B10R0.108 CCC(O)CNC(C)CCO 2230a_100011218483_100009893172 [1,1,0,0,0,0|1,0,0]=3 7656 B10R0.108 CCC(O)CN[C@H](C)CCO 2230a_100000706166_100011218378 [1,1,0,0,0,0|1,0,0]=3 7657 B10R0.108 CCC(O)CN[C@H](C)CCO 34a_100000706166_100011218378 [1,1,0,0,0,0|1,0,0]=3 7658 B10R0.108 CCC(O)COC(C)CCBr 34a_100012276601_100011218378 [1,1,0,0,0,0|2,0,0]=4 7659 B10R0.108 CCC(O)CSC(C)CCO 62a_100009893172_100011218378 [1,1,0,0,0,0|1,0,0]=3 7660 B10R0.108 CCC(O)CSC(C)CCO 62a_100011218378_100009893172 [1,1,0,0,0,0|1,0,0]=3 7661 B10R0.108 CCCC(C)CCC(C)NC 270004a_106832991635_200011216527 [1,1,0,0,0,0|2,0,0]=4 7662 B10R0.108 CCCC(C)CNC(C)CC 2230a_100000209981_100011216630 [1,1,0,0,0,0|2,0,0]=4 7663 B10R0.108 CCCC(C)CNC(C)CC 270004a_100000209981_100000243154 [1,1,0,0,0,0|2,0,0]=4 7664 B10R0.108 CCCC(C)COC(C)CC 34a_100000688023_100011215416 [1,1,0,0,0,0|2,0,0]=4 7665 B10R0.108 CCCC(C)COC(C)CC 7a_100000210228_100011216630 [1,1,0,0,0,0|2,0,0]=4 7666 B10R0.108 CCCC(C)COC(C)CC 7a_100000688023_100000758301 [1,1,0,0,0,0|2,0,0]=4 7667 B10R0.108 CCCC(C)CSC(C)CC 62a_100000758301_100011216630 [1,1,0,0,0,0|2,0,0]=4 7668 B10R0.108 CCCC(C)CSC(C)CC 62a_100011216630_100000758301 [1,1,0,0,0,0|2,0,0]=4 7669 B10R0.108 CCCC(C)NCC(C)CC 2230a_100000741246_100000748023 [1,1,0,0,0,0|2,0,0]=4 7670 B10R0.108 CCCC(C)NCC(C)CC 2230a_100020588543_100000766640 [1,1,0,0,0,0|2,0,0]=4 7671 B10R0.108 CCCC(C)NCC(C)CC 270004a_100000741246_100000243153 [1,1,0,0,0,0|2,0,0]=4 7672 B10R0.108 CCCC(C)NCC(C)CC 270004a_100020588543_100000211909 [1,1,0,0,0,0|2,0,0]=4 7673 B10R0.108 CCCC(C)NCC(O)CC 2230a_100000741246_100011218378 [1,1,0,0,0,0|2,0,0]=4 7674 B10R0.108 CCCC(C)NCC(O)CC 2230a_100011218483_100000766640 [1,1,0,0,0,0|2,0,0]=4 7675 B10R0.108 CCCC(C)NCC(O)CC 270004a_100011218483_100000211909 [1,1,0,0,0,0|2,0,0]=4 7676 B10R0.108 CCCC(C)NC[C@@H](C)CC 2230a_100000741246_100009816398 [1,1,0,0,0,0|2,0,0]=4 7677 B10R0.108 CCCC(C)OCC(C)CC 34a_100000764384_100000748023 [1,1,0,0,0,0|2,0,0]=4 7678 B10R0.108 CCCC(C)OCC(C)CC 7a_100000764384_100000748023 [1,1,0,0,0,0|2,0,0]=4 7679 B10R0.108 CCCC(C)OCC(O)CC 34a_100000764384_100011218378 [1,1,0,0,0,0|2,0,0]=4 7680 B10R0.108 CCCC(C)OCC(O)CC 7a_100000764384_100011218378 [1,1,0,0,0,0|2,0,0]=4 7681 B10R0.108 CCCC(C)OC[C@@H](C)CC 34a_100000764384_100009816398 [1,1,0,0,0,0|2,0,0]=4 7682 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100000764384_100009816398 [1,1,0,0,0,0|2,0,0]=4 7683 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100009816381_100000766640 [1,1,0,0,0,0|2,0,0]=4 7684 B10R0.108 CCCC(C)SCC(C)CC 62a_100000748023_100000766640 [1,1,0,0,0,0|2,0,0]=4 7685 B10R0.108 CCCC(C)SCC(C)CC 62a_100000766640_100000748023 [1,1,0,0,0,0|2,0,0]=4 7686 B10R0.108 CCCC(C)SCC(O)CC 62a_100000766640_100011218378 [1,1,0,0,0,0|2,0,0]=4 7687 B10R0.108 CCCC(C)SCC(O)CC 62a_100011218378_100000766640 [1,1,0,0,0,0|2,0,0]=4 7688 B10R0.108 CCCC(C)SC[C@@H](C)CC 62a_100000766640_100009816398 [1,1,0,0,0,0|2,0,0]=4 7689 B10R0.108 CCCC(C)SC[C@@H](C)CC 62a_100009816398_100000766640 [1,1,0,0,0,0|2,0,0]=4 7690 B10R0.108 CCOC(C)CCC(C)CC 7a_200011216552_100000210202 [1,1,0,0,0,0|2,0,0]=4 7691 B10R0.108 CC[C@H](C)CN[C@H](C)CCO 2230a_100000706166_100009816398 [1,1,0,0,0,0|1,0,0]=3 7692 B10R0.108 CC[C@H](C)CN[C@H](C)CCO 34a_100000706166_100009816398 [1,1,0,0,0,0|1,0,0]=3 7693 B10R0.108 CC[C@H](C)COC(C)CCBr 34a_100012276601_100009816398 [1,1,0,0,0,0|2,0,0]=4 7694 B10R0.108 CC[C@H](C)COC(C)CCO 7a_100009816381_100009893172 [1,1,0,0,0,0|1,0,0]=3 7695 B10R0.108 CC[C@H](C)CSC(C)CCO 62a_100009816398_100009893172 [1,1,0,0,0,0|1,0,0]=3 7696 B10R0.108 CC[C@H](C)CSC(C)CCO 62a_100009893172_100009816398 [1,1,0,0,0,0|1,0,0]=3 7697 B10R0.108 COC(C)COC(C)CCO 34a_100000690652_100009893172 [1,1,0,0,0,0|2,0,0]=4 7698 B10R0.108 CO[C@H](C)CNC(C)CCO 2230a_100020591295_100009893172 [1,1,0,0,0,0|2,0,0]=4 7699 B10R0.108 C[C@@H](CO)CN[C@H](C)CCO 2230a_100000706166_100000059175 [1,1,0,0,0,0|2,0,0]=4 7700 B10R0.108 C[C@@H](CO)CN[C@H](C)CCO 34a_100000706166_100000059175 [1,1,0,0,0,0|2,0,0]=4 7701 B10R0.108 C[C@H](CCO)NCC(O)CO 2230a_100000706166_100011219619 [1,1,0,0,0,0|2,0,0]=4 7702 B10R0.108 C[C@H](CCO)NCC(O)CO 34a_100000706166_100011219619 [1,1,0,0,0,0|2,0,0]=4 7703 B10R0.108 C[C@H](CCO)NC[C@@H](O)CF 2230a_100000706166_100015614560 [1,1,0,0,0,0|2,0,0]=4 7704 B10R0.108 C[C@H](CCO)NC[C@@H](O)CF 34a_100000706166_100015614560 [1,1,0,0,0,0|2,0,0]=4 7705 B10R0.108 C[C@H](CCO)NC[C@@H](O)CO 2230a_100000706166_100009815848 [1,1,0,0,0,0|2,0,0]=4 7706 B10R0.108 C[C@H](CCO)NC[C@@H](O)CO 34a_100000706166_100009815848 [1,1,0,0,0,0|2,0,0]=4 7707 B10R0.156 CCCCOC(C)(C)CCBr 7a_100000702414_100000210211 [1,1,0,0,0,0|2,0,0]=4 7708 B10R0.156 CCCCOC(C)(C)CCC 7a_100000748436_100000210211 [1,1,0,0,0,0|2,0,0]=4 7709 B10R0.156 CCCOCC(C)(C)CCC 7a_100011995695_100000210303 [1,1,0,0,0,0|2,0,0]=4 7710 B10R0.156 CCCSC[N+](C)(C)CCO 62a_100000210303_200010270792 [1,1,0,0,0,0|2,0,0]=4 7711 B10R0.156 CCCSC[N+](C)(C)CCO 62a_200010270792_100000210303 [1,1,0,0,0,0|2,0,0]=4 7712 B10R0.26 CC(C)C(=O)CN(C)CCO 2230a_100000210263_100000753385 [0,1,0,0,1,0|1,0,1]=4 7713 B10R0.26 CC(C)C(=O)CN(C)CCO 269982a_100000210263_100000753385 [0,1,0,0,1,0|1,0,1]=4 7714 B10R0.26 CC(C)C(=O)N[C@H](C)CCO 240690a_100000706166_100000210198 [0,1,0,0,1,0|1,0,1]=4 7715 B10R0.26 CC(C)C(=O)N[C@H](C)CCO 527a_100000706166_100000210198 [0,1,0,0,1,0|1,0,1]=4 7716 B10R0.26 CC(CCO)NC(C)C(C)C 2230a_100000211541_100009893172 [0,1,0,0,1,0|1,0,0]=3 7717 B10R0.26 CC(CCO)OC(C)C(C)C 7a_100000748068_100009893172 [0,1,0,0,1,0|1,0,0]=3 7718 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000210198_100011216630 [0,1,0,0,1,0|1,0,1]=4 7719 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000748435_100000210206 [0,1,0,0,1,0|1,0,1]=4 7720 B10R0.26 CCCC(C)CN(C)C(C)C 269982a_200000211004_100011216630 [0,1,0,0,1,0|2,0,0]=4 7721 B10R0.26 CCCC(C)CN(C)C(C)C 270004a_200000211004_100000243154 [0,1,0,0,1,0|2,0,0]=4 7722 B10R0.26 CCCC(C)NC(C)C(C)C 2230a_100000211541_100000766640 [0,1,0,0,1,0|2,0,0]=4 7723 B10R0.26 CCCC(C)NC(C)C(C)C 270004a_100000211541_100000211909 [0,1,0,0,1,0|2,0,0]=4 7724 B10R0.26 CCCC(C)OC(C)C(C)C 7a_100000748068_100000766640 [0,1,0,0,1,0|2,0,0]=4 7725 B10R0.27 CCC(CCC(C)C)OCF 34a_100011216567_100015361967 [0,1,0,0,1,0|2,0,0]=4 7726 B10R0.27 CCC(CCC(C)C)OCF 7a_100011216567_100015361967 [0,1,0,0,1,0|2,0,0]=4 7727 B10R0.27 CCCC(CC)NCC(C)C 2230a_100000747048_100000210760 [0,1,0,0,1,0|2,0,0]=4 7728 B10R0.27 CCCC(CC)NCC(C)C 270004a_100000210953_100000687865 [0,1,0,0,1,0|2,0,0]=4 7729 B10R0.27 CCCC(CC)NCC(C)C 270004a_100000747048_100000210432 [0,1,0,0,1,0|2,0,0]=4 7730 B10R0.27 CCCC(CC)OCC(C)C 34a_100000687864_100000210624 [0,1,0,0,1,0|2,0,0]=4 7731 B10R0.27 CCCC(CC)OCC(C)C 7a_100000687864_100000210760 [0,1,0,0,1,0|2,0,0]=4 7732 B10R0.27 CCCC(CC)SCC(C)C 62a_100000210624_100011219200 [0,1,0,0,1,0|2,0,0]=4 7733 B10R0.27 CCCC(CC)SCC(C)C 62a_100011219200_100000210760 [0,1,0,0,1,0|2,0,0]=4 7734 B10R0.27 CCCN(CC)CCC(C)C 2230a_100000207693_100000210303 [0,1,0,0,1,0|2,0,0]=4 7735 B10R0.27 CCCN(CC)CCC(C)C 2230a_100000226822_100000210312 [0,1,0,0,1,0|2,0,0]=4 7736 B10R0.27 CCCN(CC)CCC(C)C 269982a_100000207693_100000210303 [0,1,0,0,1,0|2,0,0]=4 7737 B10R0.27 CCCN(CC)CCC(C)C 269982a_100000226822_100000210312 [0,1,0,0,1,0|2,0,0]=4 7738 B10R0.27 CCC[C@@H](CO)NCC(C)C 2230a_100000732646_100000210760 [0,1,0,0,1,0|2,0,0]=4 7739 B10R0.27 CCC[C@@H](CO)NCC(C)C 34a_100000732646_100000210624 [0,1,0,0,1,0|2,0,0]=4 7740 B10R0.27 CCN(CCF)CCC(C)C 2230a_100000207693_100011217306 [0,1,0,0,1,0|2,0,0]=4 7741 B10R0.27 CCN(CCF)CCC(C)C 269982a_100000207693_100011217306 [0,1,0,0,1,0|2,0,0]=4 7742 B10R0.27 CCN(CCO)CCC(C)C 2230a_100000207693_100000211926 [0,1,0,0,1,0|1,0,0]=3 7743 B10R0.27 CCN(CCO)CCC(C)C 2230a_100000210973_100000210312 [0,1,0,0,1,0|1,0,0]=3 7744 B10R0.27 CCN(CCO)CCC(C)C 269982a_100000207693_100000211926 [0,1,0,0,1,0|1,0,0]=3 7745 B10R0.27 CCN(CCO)CCC(C)C 269982a_100000210973_100000210312 [0,1,0,0,1,0|1,0,0]=3 7746 B10R0.27 CCN(CCO)CCC(C)O 2230a_100000210973_100012276601 [0,1,0,0,1,0|2,0,0]=4 7747 B10R0.27 CCN(CCO)CCC(C)O 269982a_100000210973_100012276601 [0,1,0,0,1,0|2,0,0]=4 7748 B10R0.27 CCN(CCO)CCN(C)C 269982a_100000210973_100000755713 [0,1,0,0,1,0|2,0,0]=4 7749 B10R0.27 CCN(CCO)CCN(C)C 269982a_100000225870_100000211926 [0,1,0,0,1,0|2,0,0]=4 7750 B10R0.27 CCN(CCO)COC(C)C 2230a_100000210973_100000709892 [0,1,0,0,1,0|2,0,0]=4 7751 B10R0.27 CCN(CCO)COC(C)C 269982a_100000210973_100000709892 [0,1,0,0,1,0|2,0,0]=4 7752 B10R0.27 CCOC(CC)CCC(C)C 34a_100011216567_100000210202 [0,1,0,0,1,0|2,0,0]=4 7753 B10R0.27 CCOC(CC)CCC(C)C 7a_100011216567_100000210202 [0,1,0,0,1,0|2,0,0]=4 7754 B10R0.32 CC(C)CC(=O)C(C)CCO 1458a_100000210554_100009893172 [0,1,0,0,1,0|0,0,1]=3 7755 B10R0.32 CC(C)CC(=O)N(C)CCO 240690a_100000210263_100000210554 [0,1,0,0,1,0|1,0,1]=4 7756 B10R0.32 CC(C)CC(=O)N(C)CCO 527a_100000210263_100000210554 [0,1,0,0,1,0|1,0,1]=4 7757 B10R0.32 CC(C)CC(C)C(=O)CCO 1458a_100011216618_100000731052 [0,1,0,0,1,0|1,0,1]=4 7758 B10R0.32 CC(C)CC(C)N(C)CCF 2230a_100000745462_100011217306 [0,1,0,0,1,0|2,0,0]=4 7759 B10R0.32 CC(C)CC(C)N(C)CCF 269982a_100000745462_100011217306 [0,1,0,0,1,0|2,0,0]=4 7760 B10R0.32 CC(C)CC(C)N(C)CCO 2230a_100000210263_100000731052 [0,1,0,0,1,0|1,0,0]=3 7761 B10R0.32 CC(C)CC(C)N(C)CCO 2230a_100000745462_100000211926 [0,1,0,0,1,0|1,0,0]=3 7762 B10R0.32 CC(C)CC(C)N(C)CCO 269982a_100000210263_100000731052 [0,1,0,0,1,0|1,0,0]=3 7763 B10R0.32 CC(C)CC(C)N(C)CCO 269982a_100000745462_100000211926 [0,1,0,0,1,0|1,0,0]=3 7764 B10R0.32 CC(C)CN(C)C(C)CCO 2230a_100000731037_100000210760 [0,1,0,0,1,0|1,0,0]=3 7765 B10R0.32 CC(C)CN(C)C(C)CCO 2230a_100000747067_100009893172 [0,1,0,0,1,0|1,0,0]=3 7766 B10R0.32 CC(C)CN(C)C(C)CCO 269982a_100000731037_100000210624 [0,1,0,0,1,0|1,0,0]=3 7767 B10R0.32 CC(C)CN(C)C(C)CCO 269982a_100000747067_100009893172 [0,1,0,0,1,0|1,0,0]=3 7768 B10R0.32 CC(C)CN(C)C(C)CCO 270004a_100000731037_100000210432 [0,1,0,0,1,0|1,0,0]=3 7769 B10R0.32 CC(C)C[C@H](O)C(=O)CCO 1458a_100012027011_100000211926 [0,1,0,0,1,0|1,0,1]=4 7770 B10R0.32 CC(CCO)C(=O)CN(C)C 1458a_100000750896_100009893172 [0,1,0,0,1,0|1,0,1]=4 7771 B10R0.32 CC(CCO)C(=O)C[C@@H](C)O 1458a_100011933948_100009893172 [0,1,0,0,1,0|1,0,1]=4 7772 B10R0.32 CC(CCO)C(=O)C[S+](C)C 1458a_200159257847_100009893172 [0,1,0,0,1,0|1,0,1]=4 7773 B10R0.32 CC(CCO)N(C)C[C@@H](C)O 2230a_100000731037_100009817552 [0,1,0,0,1,0|2,0,0]=4 7774 B10R0.32 CC(CCO)N(C)C[C@@H](C)O 269982a_100000731037_100009817552 [0,1,0,0,1,0|2,0,0]=4 7775 B10R0.32 CC(CN(C)C)N(C)CCO 269982a_100000210263_100020606517 [0,1,0,0,1,0|2,0,0]=4 7776 B10R0.32 CC(O)CN(C)C(C)CCO 2230a_100000227577_100009893172 [0,1,0,0,1,0|2,0,0]=4 7777 B10R0.32 CC(O)CN(C)C(C)CCO 2230a_100000731037_100011218427 [0,1,0,0,1,0|2,0,0]=4 7778 B10R0.32 CC(O)CN(C)C(C)CCO 269982a_100000227577_100009893172 [0,1,0,0,1,0|2,0,0]=4 7779 B10R0.32 CC(O)CN(C)C(C)CCO 269982a_100000731037_100011218427 [0,1,0,0,1,0|2,0,0]=4 7780 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210554_100000766640 [0,1,0,0,1,0|1,0,1]=4 7781 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210906_100000210624 [0,1,0,0,1,0|1,0,1]=4 7782 B10R0.32 CCCC(C)C(C)OC(C)C 34a_100000708338_100000210206 [0,1,0,0,1,0|2,0,0]=4 7783 B10R0.32 CCCC(C)C(C)OC(C)C 7a_100000708338_100000210206 [0,1,0,0,1,0|2,0,0]=4 7784 B10R0.32 CCCC(C)N(C)CC(C)C 2230a_100000747067_100000766640 [0,1,0,0,1,0|2,0,0]=4 7785 B10R0.32 CCCC(C)N(C)CC(C)C 269982a_100000747067_100000766640 [0,1,0,0,1,0|2,0,0]=4 7786 B10R0.32 CCCC(C)N(C)CC(C)C 270004a_100000747067_100000211909 [0,1,0,0,1,0|2,0,0]=4 7787 B10R0.32 CCCN(C)C(C)CC(C)C 2230a_100000745462_100000210303 [0,1,0,0,1,0|2,0,0]=4 7788 B10R0.32 CCCN(C)C(C)CC(C)C 2230a_100000747261_100000731052 [0,1,0,0,1,0|2,0,0]=4 7789 B10R0.32 CCCN(C)C(C)CC(C)C 269982a_100000745462_100000210303 [0,1,0,0,1,0|2,0,0]=4 7790 B10R0.32 CCCN(C)C(C)CC(C)C 269982a_100000747261_100000731052 [0,1,0,0,1,0|2,0,0]=4 7791 B10R0.96 CC(C)CCC(=O)CC(C)O 1458a_100000181311_100011218427 [0,1,0,0,1,0|1,0,1]=4 7792 B10R0.96 CC(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210312 [0,1,0,0,1,0|1,0,1]=4 7793 B10R0.96 CC(C)CCC(C)NC(C)C 2230a_100138410893_100000210206 [0,1,0,0,1,0|2,0,0]=4 7794 B10R0.96 CC(C)CCC(C)NC(C)C 2230a_100138425928_100011261404 [0,1,0,0,1,0|2,0,0]=4 7795 B10R0.96 CC(C)CCC(C)NC(C)C 34a_100138425928_100011261404 [0,1,0,0,1,0|2,0,0]=4 7796 B10R0.96 CC(C)CCC(C)OC(C)C 34a_100000212225_100011261404 [0,1,0,0,1,0|2,0,0]=4 7797 B10R0.96 CC(C)CCC(C)OC(C)C 34a_100011215350_100000210206 [0,1,0,0,1,0|2,0,0]=4 7798 B10R0.96 CC(C)CCC(C)OC(C)C 7a_100011215350_100000210206 [0,1,0,0,1,0|2,0,0]=4 7799 B10R0.96 CC(C)CCC(C)SC(C)C 62a_100000210206_100011261404 [0,1,0,0,1,0|2,0,0]=4 7800 B10R0.96 CC(C)CCC(C)SC(C)C 62a_100011261404_100000210206 [0,1,0,0,1,0|2,0,0]=4 7801 B10R0.96 CC(C)CCN(C)CC(=O)O 269956a_100000746989_100000210312 [0,1,0,0,1,0|1,0,1]=4 7802 B10R0.96 CC(C)CCN(C)CC(C)C 2230a_100000742789_100000210760 [0,1,0,0,1,0|2,0,0]=4 7803 B10R0.96 CC(C)CCN(C)CC(C)C 2230a_100000747067_100000210312 [0,1,0,0,1,0|2,0,0]=4 7804 B10R0.96 CC(C)CCN(C)CC(C)C 269982a_100000742789_100000210624 [0,1,0,0,1,0|2,0,0]=4 7805 B10R0.96 CC(C)CCN(C)CC(C)C 269982a_100000747067_100000210312 [0,1,0,0,1,0|2,0,0]=4 7806 B10R0.96 CC(C)CCN(C)CC(C)C 270004a_100000742789_100000210432 [0,1,0,0,1,0|2,0,0]=4 7807 B10R0.96 CC(C)CCN(C)CC(C)O 2230a_100000227577_100000210312 [0,1,0,0,1,0|1,0,0]=3 7808 B10R0.96 CC(C)CCN(C)CC(C)O 2230a_100000742789_100011218427 [0,1,0,0,1,0|1,0,0]=3 7809 B10R0.96 CC(C)CCN(C)CC(C)O 269982a_100000227577_100000210312 [0,1,0,0,1,0|1,0,0]=3 7810 B10R0.96 CC(C)CCN(C)CC(C)O 269982a_100000742789_100011218427 [0,1,0,0,1,0|1,0,0]=3 7811 B10R0.96 CC(C)CCN(C)CC(F)F 2230a_100000742789_100011934356 [0,1,0,0,1,0|2,0,0]=4 7812 B10R0.96 CC(C)CCN(C)CC(F)F 269982a_100000742789_100011934356 [0,1,0,0,1,0|2,0,0]=4 7813 B10R0.96 CC(C)CCN(C)C[C@@H](C)O 2230a_100000742789_100009817552 [0,1,0,0,1,0|1,0,0]=3 7814 B10R0.96 CC(C)CCN(C)C[C@@H](C)O 269982a_100000742789_100009817552 [0,1,0,0,1,0|1,0,0]=3 7815 B10R0.96 CC(C)CNC(C)CC(C)C 2230a_100000210953_100000731052 [0,1,0,0,1,0|2,0,0]=4 7816 B10R0.96 CC(C)CNC(C)CC(C)C 2230a_100000692259_100000210760 [0,1,0,0,1,0|2,0,0]=4 7817 B10R0.96 CC(C)CNC(C)CC(C)C 270004a_100000692259_100000210432 [0,1,0,0,1,0|2,0,0]=4 7818 B10R0.96 CC(C)CNC(C)CC(C)C 34a_100000210953_100000731052 [0,1,0,0,1,0|2,0,0]=4 7819 B10R0.96 CC(C)COC(C)CC(C)C 34a_100000210257_100000731052 [0,1,0,0,1,0|2,0,0]=4 7820 B10R0.96 CC(C)COC(C)CC(C)C 34a_100000211805_100000210624 [0,1,0,0,1,0|2,0,0]=4 7821 B10R0.96 CC(C)COC(C)CC(C)C 7a_100000211805_100000210760 [0,1,0,0,1,0|2,0,0]=4 7822 B10R0.96 CC(C)CSC(C)CC(C)C 62a_100000210624_100000731052 [0,1,0,0,1,0|2,0,0]=4 7823 B10R0.96 CC(C)CSC(C)CC(C)C 62a_100000731052_100000210760 [0,1,0,0,1,0|2,0,0]=4 7824 B10R0.96 CC(O)CCN(C)CC(C)O 2230a_100000227577_100012276601 [0,1,0,0,1,0|2,0,0]=4 7825 B10R0.96 CC(O)CCN(C)CC(C)O 269982a_100000227577_100012276601 [0,1,0,0,1,0|2,0,0]=4 7826 B10R0.96 CC(O)CN(C)CCN(C)C 269982a_100000225618_100011218427 [0,1,0,0,1,0|2,0,0]=4 7827 B10R0.96 CC(O)CN(C)CCN(C)C 269982a_100000227577_100000755713 [0,1,0,0,1,0|2,0,0]=4 7828 B10R0.96 CC(O)CN(C)COC(C)C 2230a_100000227577_100000709892 [0,1,0,0,1,0|2,0,0]=4 7829 B10R0.96 CC(O)CN(C)COC(C)C 269982a_100000227577_100000709892 [0,1,0,0,1,0|2,0,0]=4 7830 B10R0.96 C[C@@H](O)CN(C)CCN(C)C 269982a_100000225618_100009817552 [0,1,0,0,1,0|2,0,0]=4 7831 B10R0.105 CC(C)CCC(C)(C)OCF 7a_200011218267_100015361967 [0,1,0,0,1,0|2,0,0]=4 7832 B10R0.105 CC(C)CCC(C)(C)SCF 62a_100015361967_200000037585 [0,1,0,0,1,0|2,0,0]=4 7833 B10R0.105 CC(C)CCC(C)(C)SCF 62a_200000037585_100015361967 [0,1,0,0,1,0|2,0,0]=4 7834 B10R0.105 CC(C)CNC(C)(C)CCO 270004a_100000763138_100000210432 [0,1,0,0,1,0|1,0,0]=3 7835 B10R0.105 CC(C)COC(C)(C)CCBr 7a_100000702414_100000210760 [0,1,0,0,1,0|2,0,0]=4 7836 B10R0.105 CC(C)SC[N+](C)(C)CCO 62a_100000210206_200010270792 [0,1,0,0,1,0|2,0,0]=4 7837 B10R0.105 CC(C)SC[N+](C)(C)CCO 62a_200010270792_100000210206 [0,1,0,0,1,0|2,0,0]=4 7838 B10R0.105 CCCC(C)(C)COC(C)C 7a_100011995695_100000210206 [0,1,0,0,1,0|2,0,0]=4 7839 B10R0.105 CCCC(C)(C)OCC(C)C 7a_100000748436_100000210760 [0,1,0,0,1,0|2,0,0]=4 7840 B10R0.105 CCOC(C)(C)CCC(C)C 34a_100121572206_200000037585 [0,1,0,0,1,0|2,0,0]=4 7841 B10R0.105 CCOC(C)(C)CCC(C)C 7a_200011218267_100000210202 [0,1,0,0,1,0|2,0,0]=4 7842 B10R0.105 CCSC(C)(C)CCC(C)C 62a_100000210202_200000037585 [0,1,0,0,1,0|2,0,0]=4 7843 B10R0.105 CCSC(C)(C)CCC(C)C 62a_200000037585_100000210202 [0,1,0,0,1,0|2,0,0]=4 7844 B10R0.109 CC(C)(C)CCC(=O)CCO 1458a_100000757465_100000211926 [0,1,0,0,1,0|1,0,1]=4 7845 B10R0.109 CC(C)(C)CCC(=O)CCO 1458a_100011216618_100000755188 [0,1,0,0,1,0|1,0,1]=4 7846 B10R0.109 CC(CCBr)OCC(C)(C)C 34a_100012276601_100011219605 [0,1,0,0,1,0|2,0,0]=4 7847 B10R0.109 CC(CCBr)OCC(C)(C)F 34a_100012276601_100011997219 [0,1,0,0,1,0|2,0,0]=4 7848 B10R0.109 CC(CCBr)OCC(C)(C)O 34a_100012276601_100000764493 [0,1,0,0,1,0|2,0,0]=4 7849 B10R0.109 CC(CCN)COC(C)(C)C 34a_106354213184_100000210625 [0,1,0,0,1,0|2,0,0]=4 7850 B10R0.109 CC(CCO)NCC(C)(C)C 2230a_100000743828_100009893172 [0,1,0,0,1,0|1,0,0]=3 7851 B10R0.109 CC(CCO)NCC(C)(C)F 2230a_100020643315_100009893172 [0,1,0,0,1,0|1,0,0]=3 7852 B10R0.109 CC(CCO)NCC(C)(C)O 2230a_100000751335_100009893172 [0,1,0,0,1,0|1,0,0]=3 7853 B10R0.109 CC(CCO)OCC(C)(C)F 34a_100000716592_100009893172 [0,1,0,0,1,0|1,0,0]=3 7854 B10R0.109 CC(CCO)OCC(C)(F)F 34a_100000068830_100009893172 [0,1,0,0,1,0|2,0,0]=4 7855 B10R0.109 CC(CCO)SCC(C)(C)C 62a_100009893172_100011219605 [0,1,0,0,1,0|1,0,0]=3 7856 B10R0.109 CC(CCO)SCC(C)(C)C 62a_100011219605_100009893172 [0,1,0,0,1,0|1,0,0]=3 7857 B10R0.109 CC(CCO)SCC(C)(C)F 62a_100009893172_100011997219 [0,1,0,0,1,0|1,0,0]=3 7858 B10R0.109 CC(CCO)SCC(C)(C)F 62a_100011997219_100009893172 [0,1,0,0,1,0|1,0,0]=3 7859 B10R0.109 CC(CCO)SCC(C)(C)O 62a_100000764493_100009893172 [0,1,0,0,1,0|1,0,0]=3 7860 B10R0.109 CC(CCO)SCC(C)(C)O 62a_100009893172_100000764493 [0,1,0,0,1,0|1,0,0]=3 7861 B10R0.109 CC(CCO)SC[N+](C)(C)C 62a_100009893172_200000036245 [0,1,0,0,1,0|2,0,0]=4 7862 B10R0.109 CC(CCO)SC[N+](C)(C)C 62a_200000036245_100009893172 [0,1,0,0,1,0|2,0,0]=4 7863 B10R0.109 CC(CCO)SC[Si](C)(C)C 62a_100000037933_100009893172 [0,1,0,0,1,0|1,1,0]=4 7864 B10R0.109 CC(CCO)SC[Si](C)(C)C 62a_100009893172_100000037933 [0,1,0,0,1,0|1,1,0]=4 7865 B10R0.109 CCCC(C)CNC(C)(C)C 2230a_100000715429_100011216630 [0,1,0,0,1,0|2,0,0]=4 7866 B10R0.109 CCCC(C)COC(C)(C)C 34a_100000688023_100000210625 [0,1,0,0,1,0|2,0,0]=4 7867 B10R0.109 CCCC(C)COC(C)(C)C 34a_100015890283_100011216630 [0,1,0,0,1,0|2,0,0]=4 7868 B10R0.109 CCCC(C)COC(C)(C)C 7a_100015890283_100011216630 [0,1,0,0,1,0|2,0,0]=4 7869 B10R0.109 CCCC(C)CSC(C)(C)C 62a_100000211941_100011216630 [0,1,0,0,1,0|2,0,0]=4 7870 B10R0.109 CCCC(C)CSC(C)(C)C 62a_100011216630_100000211941 [0,1,0,0,1,0|2,0,0]=4 7871 B10R0.109 CCCC(C)NCC(C)(C)C 2230a_100000743828_100000766640 [0,1,0,0,1,0|2,0,0]=4 7872 B10R0.109 CCCC(C)NCC(C)(C)C 270004a_100000741246_100011204126 [0,1,0,0,1,0|2,0,0]=4 7873 B10R0.109 CCCC(C)NCC(C)(C)C 270004a_100000743828_100000211909 [0,1,0,0,1,0|2,0,0]=4 7874 B10R0.109 CCCC(C)NCC(C)(C)F 2230a_100020643315_100000766640 [0,1,0,0,1,0|2,0,0]=4 7875 B10R0.109 CCCC(C)NCC(C)(C)F 270004a_100020643315_100000211909 [0,1,0,0,1,0|2,0,0]=4 7876 B10R0.109 CCCC(C)NCC(C)(C)O 2230a_100000751335_100000766640 [0,1,0,0,1,0|2,0,0]=4 7877 B10R0.109 CCCC(C)NCC(C)(C)O 270004a_100000751335_100000211909 [0,1,0,0,1,0|2,0,0]=4 7878 B10R0.109 CCCC(C)OCC(C)(C)C 34a_100000764384_100011219605 [0,1,0,0,1,0|2,0,0]=4 7879 B10R0.109 CCCC(C)OCC(C)(C)F 34a_100000716592_100000766640 [0,1,0,0,1,0|2,0,0]=4 7880 B10R0.109 CCCC(C)OCC(C)(C)F 34a_100000764384_100011997219 [0,1,0,0,1,0|2,0,0]=4 7881 B10R0.109 CCCC(C)OCC(C)(C)O 34a_100000764384_100000764493 [0,1,0,0,1,0|2,0,0]=4 7882 B10R0.109 CCCC(C)OCC(C)(C)O 7a_100000764384_100000764493 [0,1,0,0,1,0|2,0,0]=4 7883 B10R0.109 CCCC(C)SCC(C)(C)C 62a_100000766640_100011219605 [0,1,0,0,1,0|2,0,0]=4 7884 B10R0.109 CCCC(C)SCC(C)(C)C 62a_100011219605_100000766640 [0,1,0,0,1,0|2,0,0]=4 7885 B10R0.109 CCCC(C)SCC(C)(C)F 62a_100000766640_100011997219 [0,1,0,0,1,0|2,0,0]=4 7886 B10R0.109 CCCC(C)SCC(C)(C)F 62a_100011997219_100000766640 [0,1,0,0,1,0|2,0,0]=4 7887 B10R0.109 CCCC(C)SCC(C)(C)O 62a_100000764493_100000766640 [0,1,0,0,1,0|2,0,0]=4 7888 B10R0.109 CCCC(C)SCC(C)(C)O 62a_100000766640_100000764493 [0,1,0,0,1,0|2,0,0]=4 7889 B10R0.109 CCCN(C)CCC(C)(C)C 2230a_100000747261_100000755188 [0,1,0,0,1,0|2,0,0]=4 7890 B10R0.109 CCCN(C)CCC(C)(C)C 269982a_100000747261_100000755188 [0,1,0,0,1,0|2,0,0]=4 7891 B10R0.109 CCCN(C)CCC(C)(C)O 2230a_100000747261_100000702414 [0,1,0,0,1,0|2,0,0]=4 7892 B10R0.109 CN(CCO)CCC(C)(C)C 2230a_100000210263_100000755188 [0,1,0,0,1,0|1,0,0]=3 7893 B10R0.109 CN(CCO)CCC(C)(C)C 269982a_100000210263_100000755188 [0,1,0,0,1,0|1,0,0]=3 7894 B10R0.109 CN(CCO)CCC(C)(C)O 2230a_100000210263_100000702414 [0,1,0,0,1,0|1,0,0]=3 7895 B10R0.109 CN(CCO)CC[N+](C)(C)C 269982a_100000210263_100000085578 [0,1,0,0,1,0|2,0,0]=4 7896 B10R0.109 CN(CCO)CC[Si](C)(C)C 2230a_100000210263_200000733723 [0,1,0,0,1,0|1,1,0]=4 7897 B10R0.109 CN(CCO)CC[Si](C)(C)C 269982a_100000210263_200000733723 [0,1,0,0,1,0|1,1,0]=4 7898 B10R0.109 C[C@H](CCO)NCC(C)(C)C 270004a_100000706166_100011204126 [0,1,0,0,1,0|1,0,0]=3 7899 B10R0.109 C[C@H](CCO)NCC(C)(C)C 34a_100000706166_100011219605 [0,1,0,0,1,0|1,0,0]=3 7900 B10R0.109 C[C@H](CCO)NCC(C)(C)F 34a_100000706166_100011997219 [0,1,0,0,1,0|1,0,0]=3 7901 B10R0.109 C[C@H](CCO)NCC(C)(C)O 34a_100000706166_100000764493 [0,1,0,0,1,0|1,0,0]=3 7902 B10R0.109 C[C@H](CCO)NC[Si](C)(C)C 2230a_100000706166_100000037933 [0,1,0,0,1,0|1,1,0]=4 7903 B12R0.54 C=CCC(C)C(=O)CCCC(C)C 1458a_100011216819_100011214892 [0,1,0,0,0,1|1,0,1]=4 7904 B12R0.54 CC(=CCCC(C)N(C)CCO)C 270004a_100000210263_100000765506 [0,1,0,0,0,1|1,0,1]=4 7905 B12R0.54 CC(=CCCN(C)C(C)CCO)C 2230a_100000731037_100011217483 [0,1,0,0,0,1|0,0,2]=4 7906 B12R0.54 CC(=CCCN(C)C(C)CCO)C 269982a_100000731037_100011217483 [0,1,0,0,0,1|0,0,2]=4 7907 B12R0.54 CC(=O)CCCN(C)C(C)CCO 269982a_100000731037_100011215641 [0,1,0,0,0,1|1,0,1]=4 7908 B12R0.54 CC(C)/C=C/CC(=O)C(C)CCO 1458a_100016292215_100009893172 [0,1,0,0,0,1|0,0,2]=4 7909 B12R0.54 CC(C)CCCC(=O)C(C)CC#N 1458a_100011216857_100009813641 [0,1,0,0,0,1|1,0,1]=4 7910 B12R0.54 CC(C)CCCC(=O)C(C)CCO 1458a_100011216857_100009893172 [0,1,0,0,0,1|0,0,0]=2 7911 B12R0.54 CC(C)CCCC(=O)N(C)CCO 240690a_100000210263_100011216857 [0,1,0,0,0,1|1,0,0]=3 7912 B12R0.54 CC(C)CCCC(=O)N(C)CCO 527a_100000210263_100011216857 [0,1,0,0,0,1|1,0,0]=3 7913 B12R0.54 CC(C)CCCC(C)N(C)CCO 270004a_100000210263_100000753411 [0,1,0,0,0,1|1,0,0]=3 7914 B12R0.54 CC(C)CCCN(C)C(C)CCO 2230a_100000731037_100011214892 [0,1,0,0,0,1|0,0,0]=2 7915 B12R0.54 CC(C)CCCN(C)C(C)CCO 269982a_100000731037_100011214892 [0,1,0,0,0,1|0,0,0]=2 7916 B12R0.54 CC(C)CCNC(=O)N(C)CCO 2708a_100000210545_100000210263 [0,1,0,0,0,1|1,0,1]=4 7917 B12R0.54 CC(C)CCNC(=O)N(C)CCO 273464a_100000210545_100000210263 [0,1,0,0,0,1|1,0,1]=4 7918 B12R0.54 CC(C)COCC(=O)C(C)CCO 1458a_100011223364_100009893172 [0,1,0,0,0,1|0,0,1]=3 7919 B12R0.54 CC(C)COCC(=O)N(C)CCO 240690a_100000210263_100011223364 [0,1,0,0,0,1|1,0,1]=4 7920 B12R0.54 CC(C)COCC(=O)N(C)CCO 527a_100000210263_100011223364 [0,1,0,0,0,1|1,0,1]=4 7921 B12R0.54 CC(C)OCCC(C)N(C)CCO 270004a_100000210263_200011219172 [0,1,0,0,0,1|1,0,0]=3 7922 B12R0.54 CC(C)OCCN(C)C(C)CCO 2230a_100000731037_100000211751 [0,1,0,0,0,1|1,0,0]=3 7923 B12R0.54 CC(C)OCCN(C)C(C)CCO 269982a_100000731037_100000211751 [0,1,0,0,0,1|1,0,0]=3 7924 B12R0.54 CC(C)SCCN(C)C(C)CCO 2230a_100000731037_100000730970 [0,1,0,0,0,1|1,0,0]=3 7925 B12R0.54 CC(C)SCCN(C)C(C)CCO 269982a_100000731037_100000730970 [0,1,0,0,0,1|1,0,0]=3 7926 B12R0.54 CC(CCO)N(C)CCCN(C)C 269982a_100000225831_100009893172 [0,1,0,0,0,1|1,0,0]=3 7927 B12R0.54 CC(CCO)N(C)CCCN(C)C 269982a_100000731037_100000757444 [0,1,0,0,0,1|1,0,0]=3 7928 B12R0.54 CC(O)CCCC(=O)N(C)CCO 527a_100000210263_100000761597 [0,1,0,0,0,1|2,0,0]=4 7929 B12R0.54 CC(O)CCCN(C)C(C)CCO 2230a_100000731037_200000718107 [0,1,0,0,0,1|1,0,0]=3 7930 B12R0.54 CC(O)CCCN(C)C(C)CCO 269982a_100000731037_200000718107 [0,1,0,0,0,1|1,0,0]=3 7931 B12R0.54 CCCC(C)C(=O)CCCC(C)C 1458a_100000210906_100011214892 [0,1,0,0,0,1|1,0,0]=3 7932 B12R0.54 CCCC(C)C(=O)CCCC(C)C 1458a_100011216857_100000766640 [0,1,0,0,0,1|1,0,0]=3 7933 B12R0.54 CCCC(C)C(=O)CCCC(C)O 1458a_100000210906_200000718107 [0,1,0,0,0,1|2,0,0]=4 7934 B12R0.54 CCCC(C)C(=O)CCCN(C)C 1458a_100000210906_100000695564 [0,1,0,0,0,1|2,0,0]=4 7935 B12R0.54 CCCC(C)C(=O)CCOC(C)C 1458a_100000210906_100000211751 [0,1,0,0,0,1|1,0,1]=4 7936 B12R0.54 CCCC(C)C(=O)CCSC(C)C 1458a_100000210906_100000730970 [0,1,0,0,0,1|1,0,1]=4 7937 B12R0.54 CCCC(C)C(=O)COCC(C)C 1458a_100011223364_100000766640 [0,1,0,0,0,1|1,0,1]=4 7938 B12R0.54 CCCC(C)C(=O)NCCC(C)C 11a_100000210545_100000210906 [0,1,0,0,0,1|1,0,1]=4 7939 B12R0.54 CCCC(C)C(=O)NCCC(C)C 1626a_100000210545_100000210906 [0,1,0,0,0,1|1,0,1]=4 7940 B12R0.54 CCCC(C)C(=O)NCCC(C)C 240690a_100000210545_100000210906 [0,1,0,0,0,1|1,0,1]=4 7941 B12R0.54 CCCC(C)C(=O)NCCC(C)C 527a_100000210545_100000210906 [0,1,0,0,0,1|1,0,1]=4 7942 B12R0.54 CCCC(C)C(C)NCCC(C)C 270004a_100000210545_100011216282 [0,1,0,0,0,1|1,0,0]=3 7943 B12R0.54 CCCC(C)C(C)NCCC(C)O 270004a_200000755665_100011216282 [0,1,0,0,0,1|2,0,0]=4 7944 B12R0.54 CCCC(C)C(C)NCCN(C)C 270004a_100000210585_100011216282 [0,1,0,0,0,1|2,0,0]=4 7945 B12R0.54 CCCC(C)C(C)OCCC(C)C 34a_100000708338_100000210312 [0,1,0,0,0,1|1,0,0]=3 7946 B12R0.54 CCCC(C)C(C)OCCC(C)C 7a_100000708338_100000210626 [0,1,0,0,0,1|1,0,0]=3 7947 B12R0.54 CCCC(C)C(C)OCCC(C)O 34a_100000708338_100012276601 [0,1,0,0,0,1|2,0,0]=4 7948 B12R0.54 CCCC(C)C(C)OCCC(C)O 7a_100000708338_100012276601 [0,1,0,0,0,1|2,0,0]=4 7949 B12R0.54 CCCC(C)C(C)OCCN(C)C 7a_100000708338_100000755713 [0,1,0,0,0,1|2,0,0]=4 7950 B12R0.54 CCCC(C)C(C)OCOC(C)C 34a_100000708338_100000709892 [0,1,0,0,0,1|2,0,0]=4 7951 B12R0.54 CCCC(C)N(C)CCCN(C)C 269982a_100000225831_100000766640 [0,1,0,0,0,1|2,0,0]=4 7952 B12R0.54 CCCC(C)N(C)CCCN(C)C 270004a_100000225831_100000211909 [0,1,0,0,0,1|2,0,0]=4 7953 B12R0.54 CCCN(C)C(=O)CCCC(C)C 11a_100000747261_100011216857 [0,1,0,0,0,1|2,0,0]=4 7954 B12R0.54 CCCN(C)C(=O)CCCC(C)C 1626a_100000747261_100011216857 [0,1,0,0,0,1|2,0,0]=4 7955 B12R0.54 CCCN(C)C(=O)CCCC(C)C 240690a_100000747261_100011216857 [0,1,0,0,0,1|2,0,0]=4 7956 B12R0.54 CCCN(C)C(=O)CCCC(C)C 527a_100000747261_100011216857 [0,1,0,0,0,1|2,0,0]=4 7957 B12R0.54 CCCN(C)C(C)CCCC(C)C 270004a_100000747261_100000753411 [0,1,0,0,0,1|2,0,0]=4 7958 B12R0.54 CCCN(C)C(C)CCOC(C)C 270004a_100000747261_200011219172 [0,1,0,0,0,1|2,0,0]=4 7959 B12R0.54 CCC[C@H](O)C(=O)CCCC(C)C 1458a_100009822183_100011214892 [0,1,0,0,0,1|2,0,0]=4 7960 B12R0.54 CCOC(C)C(=O)CCCC(C)C 1458a_100000739345_100011214892 [0,1,0,0,0,1|2,0,0]=4 7961 B12R0.54 CCSC(C)C(=O)CCCC(C)C 1458a_100000230601_100011214892 [0,1,0,0,0,1|2,0,0]=4 7962 B12R0.54 CN(C)CCCC(=O)N(C)CCO 240690a_100000210263_100000740757 [0,1,0,0,0,1|2,0,0]=4 7963 B12R0.54 COCC(C)C(=O)CCCC(C)C 1458a_100000751857_100011214892 [0,1,0,0,0,1|2,0,0]=4 7964 B12R0.54 COCC(C)C(=O)CCCC(C)C 1458a_100011216857_100000765312 [0,1,0,0,0,1|2,0,0]=4 7965 B12R0.54 CSCC(C)C(=O)CCCC(C)C 1458a_100000753918_100011214892 [0,1,0,0,0,1|2,0,0]=4 7966 B12R0.72 C#CCC(C)OCCCC(C)(C)O 34a_100000685586_100009888830 [0,1,0,0,0,1|1,0,1]=4 7967 B12R0.72 C#CCC(C)OCCCC(C)(C)O 7a_100000685586_100009888830 [0,1,0,0,0,1|1,0,1]=4 7968 B12R0.72 C=CCC(C)COCCC(C)(C)C 34a_100009832082_100000755188 [0,1,0,0,0,1|1,0,1]=4 7969 B12R0.72 C=CCC(C)COCCC(C)(C)C 7a_100009832082_100000755188 [0,1,0,0,0,1|1,0,1]=4 7970 B12R0.72 C=CCC(C)COCCC(C)(C)O 34a_100009832082_100000702414 [0,1,0,0,0,1|1,0,1]=4 7971 B12R0.72 C=CCC(C)COCCC(C)(C)O 7a_100009832082_100000702414 [0,1,0,0,0,1|1,0,1]=4 7972 B12R0.72 C=CC[C@@H](C)OCCCC(C)(C)O 34a_100000731007_100009888830 [0,1,0,0,0,1|1,0,1]=4 7973 B12R0.72 C=CC[C@@H](C)OCCCC(C)(C)O 7a_100000731007_100009888830 [0,1,0,0,0,1|1,0,1]=4 7974 B12R0.72 CC(CC#N)SCCCC(C)(C)O 62a_100009813641_100009888830 [0,1,0,0,0,1|1,0,1]=4 7975 B12R0.72 CC(CC#N)SCCCC(C)(C)O 62a_100009888830_100009813641 [0,1,0,0,0,1|1,0,1]=4 7976 B12R0.72 CC(CCBr)OCCCC(C)(C)O 34a_100012276601_100009888830 [0,1,0,0,0,1|1,0,0]=3 7977 B12R0.72 CC(CCBr)OCCC[N+](C)(C)C 34a_100012276601_100016990835 [0,1,0,0,0,1|2,0,0]=4 7978 B12R0.72 CC(CCBr)OCCC[Si](C)(C)C 34a_100012276601_100011219597 [0,1,0,0,0,1|1,1,0]=4 7979 B12R0.72 CC(CCN)COCCC(C)(C)C 34a_106354213184_100000755188 [0,1,0,0,0,1|1,0,0]=3 7980 B12R0.72 CC(CCN)COCCC(C)(C)O 34a_106354213184_100000702414 [0,1,0,0,0,1|1,0,0]=3 7981 B12R0.72 CC(CCN)COCC[N+](C)(C)C 34a_106354213184_100000085578 [0,1,0,0,0,1|2,0,0]=4 7982 B12R0.72 CC(CCN)COCC[Si](C)(C)C 34a_106354213184_200000733723 [0,1,0,0,0,1|1,1,0]=4 7983 B12R0.72 CC(CCO)NCCCC(F)(F)F 2230a_100000727188_100009893172 [0,1,0,0,0,1|2,0,0]=4 7984 B12R0.72 CC(CCO)NCCCC(F)(F)F 34a_100000727188_100009893172 [0,1,0,0,0,1|2,0,0]=4 7985 B12R0.72 CC(CCO)NCCCS(=O)(=O)C 2230a_100000742409_100009893172 [0,1,0,0,0,1|2,0,0]=4 7986 B12R0.72 CC(CCO)NCCCS(=O)(=O)C 34a_100000742409_100009893172 [0,1,0,0,0,1|2,0,0]=4 7987 B12R0.72 CC(CCO)NCCOC(C)(C)C 2230a_100000747557_100009893172 [0,1,0,0,0,1|1,0,0]=3 7988 B12R0.72 CC(CCO)NCCSC(C)(C)C 2230a_100000689375_100009893172 [0,1,0,0,0,1|1,0,0]=3 7989 B12R0.72 CC(CCO)OCCCC(F)(F)F 34a_100000749235_100009893172 [0,1,0,0,0,1|2,0,0]=4 7990 B12R0.72 CC(CCO)OCCCS(=O)(=O)C 34a_100000689940_100009893172 [0,1,0,0,0,1|2,0,0]=4 7991 B12R0.72 CC(CCO)OCCCS(=O)(=O)C 7a_100000689940_100009893172 [0,1,0,0,0,1|2,0,0]=4 7992 B12R0.72 CC(CCO)OCCC[Si](C)(C)C 7a_200011215415_100009893172 [0,1,0,0,0,1|0,1,0]=3 7993 B12R0.72 CC(CCO)OCCOC(C)(C)C 34a_100000693234_100009893172 [0,1,0,0,0,1|1,0,0]=3 7994 B12R0.72 CC(CCO)OCCOC(C)(C)C 7a_100000693234_100009893172 [0,1,0,0,0,1|1,0,0]=3 7995 B12R0.72 CC(CCO)SCCCC(C)(C)O 62a_100009888830_100009893172 [0,1,0,0,0,1|0,0,0]=2 7996 B12R0.72 CC(CCO)SCCCC(C)(C)O 62a_100009893172_100009888830 [0,1,0,0,0,1|0,0,0]=2 7997 B12R0.72 CC(CCO)SCCCC(F)(F)F 62a_100009893172_100011216173 [0,1,0,0,0,1|2,0,0]=4 7998 B12R0.72 CC(CCO)SCCCC(F)(F)F 62a_100011216173_100009893172 [0,1,0,0,0,1|2,0,0]=4 7999 B12R0.72 CC(CCO)SCCCS(=O)(=O)C 62a_100000754308_100009893172 [0,1,0,0,0,1|2,0,0]=4 8000 B12R0.72 CC(CCO)SCCCS(=O)(=O)C 62a_100009893172_100000754308 [0,1,0,0,0,1|2,0,0]=4 8001 B12R0.72 CC(CCO)SCCC[N+](C)(C)C 62a_100009893172_100016990835 [0,1,0,0,0,1|1,0,0]=3 8002 B12R0.72 CC(CCO)SCCC[N+](C)(C)C 62a_100016990835_100009893172 [0,1,0,0,0,1|1,0,0]=3 8003 B12R0.72 CC(CCO)SCCC[Si](C)(C)C 62a_100009893172_100011219597 [0,1,0,0,0,1|0,1,0]=3 8004 B12R0.72 CC(CCO)SCCC[Si](C)(C)C 62a_100011219597_100009893172 [0,1,0,0,0,1|0,1,0]=3 8005 B12R0.72 CC(CCO)SCCO[Si](C)(C)C 62a_100009893172_200000032530 [0,1,0,0,0,1|1,1,0]=4 8006 B12R0.72 CC(CCO)SCCO[Si](C)(C)C 62a_200000032530_100009893172 [0,1,0,0,0,1|1,1,0]=4 8007 B12R0.72 CCCC(C)CCCOC(C)(C)C 34a_100011713154_100000210625 [0,1,0,0,0,1|1,0,0]=3 8008 B12R0.72 CCCC(C)CCOCC(C)(C)C 34a_100011217855_100011219605 [0,1,0,0,0,1|1,0,0]=3 8009 B12R0.72 CCCC(C)CCOCC(C)(C)F 34a_100011217855_100011997219 [0,1,0,0,0,1|1,0,0]=3 8010 B12R0.72 CCCC(C)CCOCC(C)(C)O 34a_100011217855_100000764493 [0,1,0,0,0,1|1,0,0]=3 8011 B12R0.72 CCCC(C)CCOCC(C)(C)O 7a_100011217855_100000764493 [0,1,0,0,0,1|1,0,0]=3 8012 B12R0.72 CCCC(C)CCOC[Si](C)(C)C 7a_100011217855_100000233785 [0,1,0,0,0,1|1,1,0]=4 8013 B12R0.72 CCCC(C)CNCCC(C)(C)C 2230a_100000738805_100011216630 [0,1,0,0,0,1|1,0,0]=3 8014 B12R0.72 CCCC(C)CNCCC(C)(C)C 270004a_100000738805_100000243154 [0,1,0,0,0,1|1,0,0]=3 8015 B12R0.72 CCCC(C)CNCCC(C)(C)F 2230a_100016253952_100011216630 [0,1,0,0,0,1|1,0,0]=3 8016 B12R0.72 CCCC(C)CNCCC(C)(C)F 270004a_100016253952_100000243154 [0,1,0,0,0,1|1,0,0]=3 8017 B12R0.72 CCCC(C)CNCCC(C)(C)O 270004a_100000707701_100000243154 [0,1,0,0,0,1|1,0,0]=3 8018 B12R0.72 CCCC(C)CNCC[N+](C)(C)C 270004a_100000106457_100000243154 [0,1,0,0,0,1|2,0,0]=4 8019 B12R0.72 CCCC(C)COCCC(C)(C)C 34a_100000688023_100000755188 [0,1,0,0,0,1|1,0,0]=3 8020 B12R0.72 CCCC(C)COCCC(C)(C)C 7a_100000688023_100000755188 [0,1,0,0,0,1|1,0,0]=3 8021 B12R0.72 CCCC(C)COCCC(C)(C)C 7a_100000765024_100011216630 [0,1,0,0,0,1|1,0,0]=3 8022 B12R0.72 CCCC(C)COCCC(C)(C)O 34a_100000688023_100000702414 [0,1,0,0,0,1|1,0,0]=3 8023 B12R0.72 CCCC(C)COCCC(C)(C)O 7a_100000688023_100000702414 [0,1,0,0,0,1|1,0,0]=3 8024 B12R0.72 CCCC(C)COCC[N+](C)(C)C 34a_100000688023_100000085578 [0,1,0,0,0,1|2,0,0]=4 8025 B12R0.72 CCCC(C)COCC[N+](C)(C)C 7a_100000688023_100000085578 [0,1,0,0,0,1|2,0,0]=4 8026 B12R0.72 CCCC(C)COCC[N+](C)(C)C 7a_200020618287_100011216630 [0,1,0,0,0,1|2,0,0]=4 8027 B12R0.72 CCCC(C)COCC[Si](C)(C)C 34a_100000688023_200000733723 [0,1,0,0,0,1|1,1,0]=4 8028 B12R0.72 CCCC(C)COCC[Si](C)(C)C 7a_100000039746_100011216630 [0,1,0,0,0,1|1,1,0]=4 8029 B12R0.72 CCCC(C)COCC[Si](C)(C)C 7a_100000688023_200000733723 [0,1,0,0,0,1|1,1,0]=4 8030 B12R0.72 CCCC(C)CSCCC(C)(C)C 62a_100000755188_100011216630 [0,1,0,0,0,1|1,0,0]=3 8031 B12R0.72 CCCC(C)CSCCC(C)(C)C 62a_100011216630_100000755188 [0,1,0,0,0,1|1,0,0]=3 8032 B12R0.72 CCCC(C)CSCCC(C)(C)O 62a_100000702414_100011216630 [0,1,0,0,0,1|1,0,0]=3 8033 B12R0.72 CCCC(C)CSCCC(C)(C)O 62a_100011216630_100000702414 [0,1,0,0,0,1|1,0,0]=3 8034 B12R0.72 CCCC(C)CSCC[N+](C)(C)C 62a_100000085578_100011216630 [0,1,0,0,0,1|2,0,0]=4 8035 B12R0.72 CCCC(C)CSCC[N+](C)(C)C 62a_100011216630_100000085578 [0,1,0,0,0,1|2,0,0]=4 8036 B12R0.72 CCCC(C)CSCC[Si](C)(C)C 62a_100011216630_200000733723 [0,1,0,0,0,1|1,1,0]=4 8037 B12R0.72 CCCC(C)CSCC[Si](C)(C)C 62a_200000733723_100011216630 [0,1,0,0,0,1|1,1,0]=4 8038 B12R0.72 CCCC(C)NCCCC(C)(C)O 2230a_100000741246_100009888830 [0,1,0,0,0,1|1,0,0]=3 8039 B12R0.72 CCCC(C)NCCC[N+](C)(C)C 2230a_100000741246_100016990835 [0,1,0,0,0,1|2,0,0]=4 8040 B12R0.72 CCCC(C)NCCC[Si](C)(C)C 2230a_100000741246_100011219597 [0,1,0,0,0,1|1,1,0]=4 8041 B12R0.72 CCCC(C)NCCOC(C)(C)C 2230a_100000747557_100000766640 [0,1,0,0,0,1|2,0,0]=4 8042 B12R0.72 CCCC(C)NCCOC(C)(C)C 270004a_100000747557_100000211909 [0,1,0,0,0,1|2,0,0]=4 8043 B12R0.72 CCCC(C)NCCSC(C)(C)C 2230a_100000689375_100000766640 [0,1,0,0,0,1|2,0,0]=4 8044 B12R0.72 CCCC(C)NCCSC(C)(C)C 270004a_100000689375_100000211909 [0,1,0,0,0,1|2,0,0]=4 8045 B12R0.72 CCCC(C)OCCCC(C)(C)O 34a_100000764384_100009888830 [0,1,0,0,0,1|1,0,0]=3 8046 B12R0.72 CCCC(C)OCCCC(C)(C)O 7a_100000764384_100009888830 [0,1,0,0,0,1|1,0,0]=3 8047 B12R0.72 CCCC(C)OCCC[N+](C)(C)C 34a_100000764384_100016990835 [0,1,0,0,0,1|2,0,0]=4 8048 B12R0.72 CCCC(C)OCCC[N+](C)(C)C 7a_100000764384_100016990835 [0,1,0,0,0,1|2,0,0]=4 8049 B12R0.72 CCCC(C)OCCC[Si](C)(C)C 34a_100000764384_100011219597 [0,1,0,0,0,1|1,1,0]=4 8050 B12R0.72 CCCC(C)OCCC[Si](C)(C)C 7a_100000764384_100011219597 [0,1,0,0,0,1|1,1,0]=4 8051 B12R0.72 CCCC(C)OCCC[Si](C)(C)C 7a_200011215415_100000766640 [0,1,0,0,0,1|1,1,0]=4 8052 B12R0.72 CCCC(C)OCCOC(C)(C)C 34a_100000693234_100000766640 [0,1,0,0,0,1|2,0,0]=4 8053 B12R0.72 CCCC(C)OCCOC(C)(C)C 7a_100000693234_100000766640 [0,1,0,0,0,1|2,0,0]=4 8054 B12R0.72 CCCC(C)SCCCC(C)(C)O 62a_100000766640_100009888830 [0,1,0,0,0,1|1,0,0]=3 8055 B12R0.72 CCCC(C)SCCCC(C)(C)O 62a_100009888830_100000766640 [0,1,0,0,0,1|1,0,0]=3 8056 B12R0.72 CCCC(C)SCCC[N+](C)(C)C 62a_100000766640_100016990835 [0,1,0,0,0,1|2,0,0]=4 8057 B12R0.72 CCCC(C)SCCC[N+](C)(C)C 62a_100016990835_100000766640 [0,1,0,0,0,1|2,0,0]=4 8058 B12R0.72 CCCC(C)SCCC[Si](C)(C)C 62a_100000766640_100011219597 [0,1,0,0,0,1|1,1,0]=4 8059 B12R0.72 CCCC(C)SCCC[Si](C)(C)C 62a_100011219597_100000766640 [0,1,0,0,0,1|1,1,0]=4 8060 B12R0.72 CCC[C@H](N)CCOCC(C)(C)C 34a_100015193777_100011219605 [0,1,0,0,0,1|2,0,0]=4 8061 B12R0.72 CCC[C@H](N)CCOCC(C)(C)F 34a_100015193777_100011997219 [0,1,0,0,0,1|2,0,0]=4 8062 B12R0.72 CCC[C@H](N)CCOCC(C)(C)O 34a_100015193777_100000764493 [0,1,0,0,0,1|2,0,0]=4 8063 B12R0.72 CCC[C@H](N)COCCC(C)(C)C 34a_100000732646_100000755188 [0,1,0,0,0,1|2,0,0]=4 8064 B12R0.72 CCC[C@H](N)COCCC(C)(C)O 34a_100000732646_100000702414 [0,1,0,0,0,1|2,0,0]=4 8065 B12R0.72 CN(CCO)COCC[Si](C)(C)C 2230a_100000210263_100000032501 [0,1,0,0,0,1|1,1,0]=4 8066 B12R0.72 CN(CCO)COCC[Si](C)(C)C 269982a_100000210263_100000032501 [0,1,0,0,0,1|1,1,0]=4 8067 B12R0.72 COCC(C)SCCCC(C)(C)O 62a_100000765312_100009888830 [0,1,0,0,0,1|2,0,0]=4 8068 B12R0.72 COCC(C)SCCCC(C)(C)O 62a_100009888830_100000765312 [0,1,0,0,0,1|2,0,0]=4 8069 B12R0.72 COC[C@@H](C)NCCCC(C)(C)O 2230a_100000764878_100009888830 [0,1,0,0,0,1|2,0,0]=4 8070 B12R0.72 COC[C@@H](C)OCCCC(C)(C)O 34a_100011934205_100009888830 [0,1,0,0,0,1|2,0,0]=4 8071 B12R0.72 C[C@@H](CC#N)NCCCC(C)(C)O 2230a_100016994482_100009888830 [0,1,0,0,0,1|1,0,1]=4 8072 B12R0.72 C[C@H](CCO)NCCCC(C)(C)O 2230a_100000706166_100009888830 [0,1,0,0,0,1|0,0,0]=2 8073 B12R0.72 C[C@H](CCO)NCCCC(C)(C)O 34a_100000706166_100009888830 [0,1,0,0,0,1|0,0,0]=2 8074 B12R0.72 C[C@H](CCO)NCCCC(F)(F)F 2230a_100000706166_100011215983 [0,1,0,0,0,1|2,0,0]=4 8075 B12R0.72 C[C@H](CCO)NCCCC(F)(F)F 34a_100000706166_100011215983 [0,1,0,0,0,1|2,0,0]=4 8076 B12R0.72 C[C@H](CCO)NCCCS(=O)(=O)C 2230a_100000706166_100000754308 [0,1,0,0,0,1|2,0,0]=4 8077 B12R0.72 C[C@H](CCO)NCCCS(=O)(=O)C 34a_100000706166_100000754308 [0,1,0,0,0,1|2,0,0]=4 8078 B12R0.72 C[C@H](CCO)NCCC[N+](C)(C)C 2230a_100000706166_100016990835 [0,1,0,0,0,1|1,0,0]=3 8079 B12R0.72 C[C@H](CCO)NCCC[N+](C)(C)C 34a_100000706166_100016990835 [0,1,0,0,0,1|1,0,0]=3 8080 B12R0.72 C[C@H](CCO)NCCC[Si](C)(C)C 2230a_100000706166_100011219597 [0,1,0,0,0,1|0,1,0]=3 8081 B12R0.72 C[C@H](CCO)NCCC[Si](C)(C)C 34a_100000706166_100011219597 [0,1,0,0,0,1|0,1,0]=3 8082 B12R0.72 C[C@H](CCO)NCCO[Si](C)(C)C 2230a_100000706166_200000032530 [0,1,0,0,0,1|1,1,0]=4 8083 B12R0.72 C[C@H](CCO)NCCO[Si](C)(C)C 34a_100000706166_200000032530 [0,1,0,0,0,1|1,1,0]=4 8084 B12R0.86 C=C[C@@H](C)[C@@H](C)OCCCC(C)C 34a_100015455354_100011214892 [0,1,0,0,0,1|1,0,1]=4 8085 B12R0.86 C=C[C@@H](C)[C@@H](C)OCCCC(C)C 7a_100015455354_100011214892 [0,1,0,0,0,1|1,0,1]=4 8086 B12R0.86 CC(C)CCCCC(=O)C(O)CO 1458a_100011215603_100011216152 [0,1,0,0,0,1|1,0,1]=4 8087 B12R0.86 CC(C)CCCCN(C)C(C)CO 2230a_100000693034_100011216152 [0,1,0,0,0,1|1,0,0]=3 8088 B12R0.86 CC(C)CCCCN(C)C(C)CO 269982a_100000693034_100011216152 [0,1,0,0,0,1|1,0,0]=3 8089 B12R0.86 CC(C)CCCNC(=O)C(O)CO 240690a_200000737386_100011215603 [0,1,0,0,0,1|1,0,1]=4 8090 B12R0.86 CC(CO)N(C)CCCCN(C)C 269982a_100000693034_100000690147 [0,1,0,0,0,1|2,0,0]=4 8091 B12R0.86 CCC(=O)C(C)NCCCC(C)C 2230a_200000737386_100000742827 [0,1,0,0,0,1|1,0,1]=4 8092 B12R0.86 CCC(=O)C(C)OCCCC(C)C 7a_100000210774_100000742827 [0,1,0,0,0,1|1,0,1]=4 8093 B12R0.86 CCC(=O)C(C)SCCCC(C)C 62a_100000742827_100011214892 [0,1,0,0,0,1|1,0,1]=4 8094 B12R0.86 CCC(=O)C(C)SCCCC(C)C 62a_100011214892_100000742827 [0,1,0,0,0,1|1,0,1]=4 8095 B12R0.86 CCC(C)C(C)NCCCC(C)C 269862a_200000737386_100000210599 [0,1,0,0,0,1|1,0,0]=3 8096 B12R0.86 CCC(C)C(C)NCCCC(C)C 270004a_200000737386_100000210599 [0,1,0,0,0,1|1,0,0]=3 8097 B12R0.86 CCC(C)C(C)NCCCN(C)C 269862a_102531767803_100000210599 [0,1,0,0,0,1|2,0,0]=4 8098 B12R0.86 CCC(C)C(C)NCCCN(C)C 270004a_102531767803_100000210599 [0,1,0,0,0,1|2,0,0]=4 8099 B12R0.86 CCC(C)C(C)NCCOC(C)C 269862a_100000701111_100000210599 [0,1,0,0,0,1|2,0,0]=4 8100 B12R0.86 CCC(C)C(C)NCCOC(C)C 270004a_100000701111_100000210599 [0,1,0,0,0,1|2,0,0]=4 8101 B12R0.86 CCC(C)C(C)NCCSC(C)C 269862a_100000731138_100000210599 [0,1,0,0,0,1|2,0,0]=4 8102 B12R0.86 CCC(C)C(C)NCCSC(C)C 270004a_100000731138_100000210599 [0,1,0,0,0,1|2,0,0]=4 8103 B12R0.86 CCC(C)C(C)OCCCC(C)C 7a_100011215189_100011214892 [0,1,0,0,0,1|1,0,0]=3 8104 B12R0.86 CCC(C)C(C)OCCCC(C)O 7a_100011215189_200000718107 [0,1,0,0,0,1|2,0,0]=4 8105 B12R0.86 CCC(C)C(C)OCCCN(C)C 7a_100011215189_100000757444 [0,1,0,0,0,1|2,0,0]=4 8106 B12R0.86 CCC(C)C(C)OCCOC(C)C 7a_100011215189_100000211751 [0,1,0,0,0,1|2,0,0]=4 8107 B12R0.86 CCC(C)C(C)OCCSC(C)C 7a_100011215189_100000730970 [0,1,0,0,0,1|2,0,0]=4 8108 B12R0.86 CCC(C)N(C)CCCCC(C)C 2230a_100000741768_100011216152 [0,1,0,0,0,1|2,0,0]=4 8109 B12R0.86 CCC(C)N(C)CCCCC(C)C 269982a_100000741768_100011216152 [0,1,0,0,0,1|2,0,0]=4 8110 B12R0.86 CCN(C)C(C)CCNCC(C)C 270004a_100011369392_100000210432 [0,1,0,0,0,1|2,0,0]=4 8111 B12R0.86 CCN(C)C(C)COCCC(C)C 7a_100000732741_100000210626 [0,1,0,0,0,1|2,0,0]=4 8112 B12R0.95 C#CCOC(C)COCCC(C)C 34a_200000093152_100000210312 [0,1,0,0,0,1|1,0,1]=4 8113 B12R0.95 C#CCOC(C)COCCC(C)C 7a_200000093152_100000210626 [0,1,0,0,0,1|1,0,1]=4 8114 B12R0.95 C=C(C)CCNC[C@H](C)CCCO 2230a_100160569302_100000730704 [0,1,0,0,0,1|0,0,2]=4 8115 B12R0.95 C=C(C)CCNC[C@H](C)CCCO 34a_100160569302_100000730704 [0,1,0,0,0,1|0,0,2]=4 8116 B12R0.95 C=CCCC(C)NCCCC(C)C 270004a_200000737386_100000762624 [0,1,0,0,0,1|1,0,0]=3 8117 B12R0.95 C=CCCC(C)NCCCN(C)C 270004a_102531767803_100000762624 [0,1,0,0,0,1|2,0,0]=4 8118 B12R0.95 C=CCCC(C)NCCOC(C)C 270004a_100000701111_100000762624 [0,1,0,0,0,1|2,0,0]=4 8119 B12R0.95 C=CCCC(C)NCCSC(C)C 270004a_100000731138_100000762624 [0,1,0,0,0,1|2,0,0]=4 8120 B12R0.95 C=CCCC(C)OCCCC(C)C 34a_100000765329_100011214892 [0,1,0,0,0,1|1,0,0]=3 8121 B12R0.95 C=CCCC(C)OCCCC(C)C 7a_100000765329_100011214892 [0,1,0,0,0,1|1,0,0]=3 8122 B12R0.95 C=CCCC(C)OCCCC(C)O 34a_100000765329_200000718107 [0,1,0,0,0,1|2,0,0]=4 8123 B12R0.95 C=CCCC(C)OCCCC(C)O 7a_100000765329_200000718107 [0,1,0,0,0,1|2,0,0]=4 8124 B12R0.95 C=CCCC(C)OCCCN(C)C 7a_100000765329_100000757444 [0,1,0,0,0,1|2,0,0]=4 8125 B12R0.95 C=CCCC(C)OCCOC(C)C 34a_100000765329_100000211751 [0,1,0,0,0,1|2,0,0]=4 8126 B12R0.95 C=CCCC(C)OCCOC(C)C 7a_100000765329_100000211751 [0,1,0,0,0,1|2,0,0]=4 8127 B12R0.95 C=CCCC(C)OCCSC(C)C 34a_100000765329_100000730970 [0,1,0,0,0,1|2,0,0]=4 8128 B12R0.95 C=CCCC(C)OCCSC(C)C 7a_100000765329_100000730970 [0,1,0,0,0,1|2,0,0]=4 8129 B12R0.95 C=CCCN(C)CCCCC(C)C 2230a_100020639649_100011216152 [0,1,0,0,0,1|2,0,0]=4 8130 B12R0.95 C=CCCN(C)CCCCC(C)C 269982a_100020639649_100011216152 [0,1,0,0,0,1|2,0,0]=4 8131 B12R0.95 C=CCNC(C)CCOCC(C)C 270004a_100020586998_200011216429 [0,1,0,0,0,1|1,0,1]=4 8132 B12R0.95 CC(=CCNC[C@H](C)CCCO)C 2230a_100160569302_100000761012 [0,1,0,0,0,1|0,0,2]=4 8133 B12R0.95 CC(=CCNC[C@H](C)CCCO)C 34a_100160569302_100000761012 [0,1,0,0,0,1|0,0,2]=4 8134 B12R0.95 CC(C)CCCCC(=O)CCCO 1458a_100011933920_100011215043 [0,1,0,0,0,1|1,0,1]=4 8135 B12R0.95 CC(C)CCCCC(=O)NCCO 240690a_100000210304_100011933920 [0,1,0,0,0,1|1,0,1]=4 8136 B12R0.95 CC(C)CCCCC(=O)NCCO 527a_100000210304_100011933920 [0,1,0,0,0,1|1,0,1]=4 8137 B12R0.95 CC(C)CCCCN(C)CCC#N 2230a_100000184479_100011216152 [0,1,0,0,0,1|2,0,0]=4 8138 B12R0.95 CC(C)CCCCN(C)CCCO 2230a_100000213112_100011216152 [0,1,0,0,0,1|1,0,0]=3 8139 B12R0.95 CC(C)CCCCN(C)CCCO 269982a_100000213112_100011216152 [0,1,0,0,0,1|1,0,0]=3 8140 B12R0.95 CC(C)CCCNC(=O)NCCO 2708a_200000737386_100000210304 [0,1,0,0,0,1|1,0,1]=4 8141 B12R0.95 CC(C)CCCNC(=O)NCCO 273464a_100000210304_200000737386 [0,1,0,0,0,1|1,0,1]=4 8142 B12R0.95 CC(C)CCCNC(=O)NCCO 273464a_200000737386_100000210304 [0,1,0,0,0,1|1,0,1]=4 8143 B12R0.95 CC(C)CCCNC(=O)NCCO 512a_200000737386_100000210304 [0,1,0,0,0,1|1,0,1]=4 8144 B12R0.95 CC(C)CCCOC(C)CCCCl 34a_200000718107_100011214892 [0,1,0,0,0,1|1,0,0]=3 8145 B12R0.95 CC(C)CCCOC(C)CCCCl 7a_200000718107_100011214892 [0,1,0,0,0,1|1,0,0]=3 8146 B12R0.95 CC(C)CCNC[C@H](C)CCCO 2230a_100160569302_100000210312 [0,1,0,0,0,1|0,0,0]=2 8147 B12R0.95 CC(C)CCNC[C@H](C)CCCO 269862a_100160569302_100000185833 [0,1,0,0,0,1|0,0,0]=2 8148 B12R0.95 CC(C)CCNC[C@H](C)CCCO 34a_100160569302_100000210312 [0,1,0,0,0,1|0,0,0]=2 8149 B12R0.95 CC(C)COCCC(C)NCCO 270004a_100000210304_200011216429 [0,1,0,0,0,1|0,0,0]=2 8150 B12R0.95 CC(C)OCCOC(C)CCCCl 34a_200000718107_100000211751 [0,1,0,0,0,1|2,0,0]=4 8151 B12R0.95 CC(C)OCCOC(C)CCCCl 7a_200000718107_100000211751 [0,1,0,0,0,1|2,0,0]=4 8152 B12R0.95 CC(C)OCNC[C@H](C)CCCO 2230a_100160569302_100000709892 [0,1,0,0,0,1|1,0,0]=3 8153 B12R0.95 CC(C)OCNC[C@H](C)CCCO 34a_100160569302_100000709892 [0,1,0,0,0,1|1,0,0]=3 8154 B12R0.95 CC(CCCCl)OCCCN(C)C 7a_200000718107_100000757444 [0,1,0,0,0,1|2,0,0]=4 8155 B12R0.95 CC(CCCCl)OCCSC(C)C 34a_200000718107_100000730970 [0,1,0,0,0,1|2,0,0]=4 8156 B12R0.95 CC(CCCCl)OCCSC(C)C 7a_200000718107_100000730970 [0,1,0,0,0,1|2,0,0]=4 8157 B12R0.95 CC(O)CCCOC(C)CCCCl 34a_200000718107_200000718107 [0,1,0,0,0,1|2,0,0]=4 8158 B12R0.95 CC(O)CCCOC(C)CCCCl 7a_200000718107_200000718107 [0,1,0,0,0,1|2,0,0]=4 8159 B12R0.95 CC(O)CCNC[C@H](C)CCCO 2230a_100160569302_100012276601 [0,1,0,0,0,1|1,0,0]=3 8160 B12R0.95 CC(O)CCNC[C@H](C)CCCO 34a_100160569302_100012276601 [0,1,0,0,0,1|1,0,0]=3 8161 B12R0.95 CCC#CC(C)OCCCC(C)C 34a_100000033903_100011214892 [0,1,0,0,0,1|1,0,1]=4 8162 B12R0.95 CCC#CC(C)OCCCC(C)C 7a_100000033903_100011214892 [0,1,0,0,0,1|1,0,1]=4 8163 B12R0.95 CCCCC(C)COCCC(C)C 34a_100011995851_100000210312 [0,1,0,0,0,1|1,0,0]=3 8164 B12R0.95 CCCCC(C)COCCC(C)C 7a_100011995851_100000210626 [0,1,0,0,0,1|1,0,0]=3 8165 B12R0.95 CCCCC(C)COCCC(C)O 34a_100011995851_100012276601 [0,1,0,0,0,1|2,0,0]=4 8166 B12R0.95 CCCCC(C)COCCC(C)O 7a_100011995851_100012276601 [0,1,0,0,0,1|2,0,0]=4 8167 B12R0.95 CCCCC(C)COCCN(C)C 7a_100011995851_100000755713 [0,1,0,0,0,1|2,0,0]=4 8168 B12R0.95 CCCCC(C)COCOC(C)C 34a_100011995851_100000709892 [0,1,0,0,0,1|2,0,0]=4 8169 B12R0.95 CCCCC(C)NCCCC(C)C 2230a_100000126638_100011214892 [0,1,0,0,0,1|1,0,0]=3 8170 B12R0.95 CCCCC(C)NCCCC(C)C 2230a_200000737386_200011215066 [0,1,0,0,0,1|1,0,0]=3 8171 B12R0.95 CCCCC(C)NCCCC(C)C 270004a_200000737386_100000210087 [0,1,0,0,0,1|1,0,0]=3 8172 B12R0.95 CCCCC(C)NCCCC(C)C 34a_200000737386_200011215066 [0,1,0,0,0,1|1,0,0]=3 8173 B12R0.95 CCCCC(C)NCCCC(C)O 2230a_100000126638_200000718107 [0,1,0,0,0,1|2,0,0]=4 8174 B12R0.95 CCCCC(C)NCCCN(C)C 270004a_102531767803_100000210087 [0,1,0,0,0,1|2,0,0]=4 8175 B12R0.95 CCCCC(C)NCCOC(C)C 2230a_100000126638_100000211751 [0,1,0,0,0,1|2,0,0]=4 8176 B12R0.95 CCCCC(C)NCCOC(C)C 2230a_100000701111_200011215066 [0,1,0,0,0,1|2,0,0]=4 8177 B12R0.95 CCCCC(C)NCCOC(C)C 270004a_100000701111_100000210087 [0,1,0,0,0,1|2,0,0]=4 8178 B12R0.95 CCCCC(C)NCCOC(C)C 34a_100000701111_200011215066 [0,1,0,0,0,1|2,0,0]=4 8179 B12R0.95 CCCCC(C)NCCSC(C)C 2230a_100000126638_100000730970 [0,1,0,0,0,1|2,0,0]=4 8180 B12R0.95 CCCCC(C)NCCSC(C)C 2230a_100000731138_200011215066 [0,1,0,0,0,1|2,0,0]=4 8181 B12R0.95 CCCCC(C)NCCSC(C)C 270004a_100000731138_100000210087 [0,1,0,0,0,1|2,0,0]=4 8182 B12R0.95 CCCCC(C)NCCSC(C)C 34a_100000731138_200011215066 [0,1,0,0,0,1|2,0,0]=4 8183 B12R0.95 CCCCC(C)OCCCC(C)C 34a_100000210774_200011215066 [0,1,0,0,0,1|1,0,0]=3 8184 B12R0.95 CCCCC(C)OCCCC(C)C 34a_100000687866_100011214892 [0,1,0,0,0,1|1,0,0]=3 8185 B12R0.95 CCCCC(C)OCCCC(C)C 7a_100000210774_200011215066 [0,1,0,0,0,1|1,0,0]=3 8186 B12R0.95 CCCCC(C)OCCCC(C)C 7a_100000687866_100011214892 [0,1,0,0,0,1|1,0,0]=3 8187 B12R0.95 CCCCC(C)OCCCC(C)O 34a_100000687866_200000718107 [0,1,0,0,0,1|2,0,0]=4 8188 B12R0.95 CCCCC(C)OCCCC(C)O 7a_100000687866_200000718107 [0,1,0,0,0,1|2,0,0]=4 8189 B12R0.95 CCCCC(C)OCCCN(C)C 7a_100000687866_100000757444 [0,1,0,0,0,1|2,0,0]=4 8190 B12R0.95 CCCCC(C)OCCNC(C)C 34a_100000224655_200011215066 [0,1,0,0,0,1|2,0,0]=4 8191 B12R0.95 CCCCC(C)OCCOC(C)C 34a_100000211219_200011215066 [0,1,0,0,0,1|2,0,0]=4 8192 B12R0.95 CCCCC(C)OCCOC(C)C 34a_100000687866_100000211751 [0,1,0,0,0,1|2,0,0]=4 8193 B12R0.95 CCCCC(C)OCCOC(C)C 7a_100000211219_200011215066 [0,1,0,0,0,1|2,0,0]=4 8194 B12R0.95 CCCCC(C)OCCOC(C)C 7a_100000687866_100000211751 [0,1,0,0,0,1|2,0,0]=4 8195 B12R0.95 CCCCC(C)OCCSC(C)C 34a_100000687866_100000730970 [0,1,0,0,0,1|2,0,0]=4 8196 B12R0.95 CCCCC(C)OCCSC(C)C 34a_200011212901_200011215066 [0,1,0,0,0,1|2,0,0]=4 8197 B12R0.95 CCCCC(C)OCCSC(C)C 7a_100000687866_100000730970 [0,1,0,0,0,1|2,0,0]=4 8198 B12R0.95 CCCCC(C)OCCSC(C)C 7a_200011212901_200011215066 [0,1,0,0,0,1|2,0,0]=4 8199 B12R0.95 CCCCC(C)SCCCC(C)C 62a_100011214892_200011215066 [0,1,0,0,0,1|1,0,0]=3 8200 B12R0.95 CCCCC(C)SCCCC(C)C 62a_200011215066_100011214892 [0,1,0,0,0,1|1,0,0]=3 8201 B12R0.95 CCCCC(C)SCCCC(C)O 62a_200000718107_200011215066 [0,1,0,0,0,1|2,0,0]=4 8202 B12R0.95 CCCCC(C)SCCCC(C)O 62a_200011215066_200000718107 [0,1,0,0,0,1|2,0,0]=4 8203 B12R0.95 CCCCC(C)SCCCN(C)C 62a_200011215066_100000757444 [0,1,0,0,0,1|2,0,0]=4 8204 B12R0.95 CCCCC(C)SCCOC(C)C 62a_100000211751_200011215066 [0,1,0,0,0,1|2,0,0]=4 8205 B12R0.95 CCCCC(C)SCCOC(C)C 62a_200011215066_100000211751 [0,1,0,0,0,1|2,0,0]=4 8206 B12R0.95 CCCCC(C)SCCSC(C)C 62a_100000730970_200011215066 [0,1,0,0,0,1|2,0,0]=4 8207 B12R0.95 CCCCC(C)SCCSC(C)C 62a_200011215066_100000730970 [0,1,0,0,0,1|2,0,0]=4 8208 B12R0.95 CCCCN(C)CCCCC(C)C 2230a_100000207549_100011216152 [0,1,0,0,0,1|2,0,0]=4 8209 B12R0.95 CCCCN(C)CCCCC(C)C 269982a_100000207549_100011216152 [0,1,0,0,0,1|2,0,0]=4 8210 B12R0.95 CCCCN(C)CCNCC(C)C 270004a_200000754967_100000210432 [0,1,0,0,0,1|2,0,0]=4 8211 B12R0.95 CCCC[C@H](N)COCCC(C)C 34a_100011934283_100000210312 [0,1,0,0,0,1|2,0,0]=4 8212 B12R0.95 CCCNC(C)CCOCC(C)C 270004a_100020643023_200011216429 [0,1,0,0,0,1|1,0,0]=3 8213 B12R0.95 CCCOC(C)CNCCC(C)C 2230a_100015185124_100000210312 [0,1,0,0,0,1|1,0,0]=3 8214 B12R0.95 CCCOC(C)CNCCC(C)C 269862a_100015185124_100000185833 [0,1,0,0,0,1|1,0,0]=3 8215 B12R0.95 CCCOC(C)CNCCC(C)C 34a_100015185124_100000210312 [0,1,0,0,0,1|1,0,0]=3 8216 B12R0.95 CCCOC(C)CNCCC(C)O 2230a_100015185124_100012276601 [0,1,0,0,0,1|2,0,0]=4 8217 B12R0.95 CCCOC(C)CNCCC(C)O 34a_100015185124_100012276601 [0,1,0,0,0,1|2,0,0]=4 8218 B12R0.95 CCCOC(C)CNCOC(C)C 2230a_100015185124_100000709892 [0,1,0,0,0,1|2,0,0]=4 8219 B12R0.95 CCCOC(C)CNCOC(C)C 34a_100015185124_100000709892 [0,1,0,0,0,1|2,0,0]=4 8220 B12R0.95 CCOCC(C)OCCCC(C)C 34a_100000718985_100011214892 [0,1,0,0,0,1|1,0,0]=3 8221 B12R0.95 CCOCC(C)OCCCC(C)C 7a_100000718985_100011214892 [0,1,0,0,0,1|1,0,0]=3 8222 B12R0.95 CCOCC(C)OCCCC(C)O 34a_100000718985_200000718107 [0,1,0,0,0,1|2,0,0]=4 8223 B12R0.95 CCOCC(C)OCCCC(C)O 7a_100000718985_200000718107 [0,1,0,0,0,1|2,0,0]=4 8224 B12R0.95 CCOCC(C)OCCCN(C)C 7a_100000718985_100000757444 [0,1,0,0,0,1|2,0,0]=4 8225 B12R0.95 CCOCC(C)OCCOC(C)C 34a_100000718985_100000211751 [0,1,0,0,0,1|2,0,0]=4 8226 B12R0.95 CCOCC(C)OCCOC(C)C 7a_100000718985_100000211751 [0,1,0,0,0,1|2,0,0]=4 8227 B12R0.95 CCOCC(C)OCCSC(C)C 34a_100000718985_100000730970 [0,1,0,0,0,1|2,0,0]=4 8228 B12R0.95 CCOCC(C)OCCSC(C)C 7a_100000718985_100000730970 [0,1,0,0,0,1|2,0,0]=4 8229 B12R0.95 CCOCC(O)CNCCC(C)C 2230a_102515437182_100000210312 [0,1,0,0,0,1|2,0,0]=4 8230 B12R0.95 CCOCC(O)CNCCC(C)C 269862a_102515437182_100000185833 [0,1,0,0,0,1|2,0,0]=4 8231 B12R0.95 CCOCC(O)CNCCC(C)C 34a_102515437182_100000210312 [0,1,0,0,0,1|2,0,0]=4 8232 B12R0.95 CCSCC(C)NCCCC(C)C 270004a_200000737386_200011216171 [0,1,0,0,0,1|1,0,0]=3 8233 B12R0.95 CCSCC(C)NCCCN(C)C 270004a_102531767803_200011216171 [0,1,0,0,0,1|2,0,0]=4 8234 B12R0.95 CCSCC(C)NCCOC(C)C 270004a_100000701111_200011216171 [0,1,0,0,0,1|2,0,0]=4 8235 B12R0.95 CCSCC(C)NCCSC(C)C 270004a_100000731138_200011216171 [0,1,0,0,0,1|2,0,0]=4 8236 B12R0.95 CN(C)CCCCN(C)CCCO 269982a_100000213112_100000690147 [0,1,0,0,0,1|2,0,0]=4 8237 B12R0.95 COCCC(=O)CCCCC(C)C 1458a_100000749529_100011216152 [0,1,0,0,0,1|1,0,1]=4 8238 B12R0.95 COCCC(=O)CCCCC(C)C 1458a_100011933920_100000233755 [0,1,0,0,0,1|1,0,1]=4 8239 B12R0.95 COCCC(=O)NCCCC(C)C 11a_200000737386_100000749529 [0,1,0,0,0,1|1,0,1]=4 8240 B12R0.95 COCCC(=O)NCCCC(C)C 1626a_200000737386_100000749529 [0,1,0,0,0,1|1,0,1]=4 8241 B12R0.95 COCCC(=O)NCCCC(C)C 240690a_200000737386_100000749529 [0,1,0,0,0,1|1,0,1]=4 8242 B12R0.95 COCCC(=O)NCCCC(C)C 527a_200000737386_100000749529 [0,1,0,0,0,1|1,0,1]=4 8243 B12R0.95 COCCC(C)NCCCC(C)C 270004a_200000737386_100000742357 [0,1,0,0,0,1|0,0,0]=2 8244 B12R0.95 COCCC(C)NCCCN(C)C 270004a_102531767803_100000742357 [0,1,0,0,0,1|1,0,0]=3 8245 B12R0.95 COCCC(C)NCCCS(=O)C 270004a_200000753449_100000742357 [0,1,0,0,0,1|2,0,0]=4 8246 B12R0.95 COCCC(C)NCCOC(C)C 270004a_100000701111_100000742357 [0,1,0,0,0,1|1,0,0]=3 8247 B12R0.95 COCCC(C)NCCSC(C)C 270004a_100000731138_100000742357 [0,1,0,0,0,1|1,0,0]=3 8248 B12R0.95 COCCN(C)CCCCC(C)C 2230a_100000743101_100011216152 [0,1,0,0,0,1|1,0,0]=3 8249 B12R0.95 COCCN(C)CCCCC(C)C 269982a_100000743101_100011216152 [0,1,0,0,0,1|1,0,0]=3 8250 B12R0.95 COCCN(C)CCCCN(C)C 269982a_100000743101_100000690147 [0,1,0,0,0,1|2,0,0]=4 8251 B12R0.95 COCO[C@H](C)COCCC(C)C 34a_100016172286_100000210312 [0,1,0,0,0,1|1,0,0]=3 8252 B12R0.95 COCO[C@H](C)COCCC(C)C 7a_100016172286_100000210626 [0,1,0,0,0,1|1,0,0]=3 8253 B12R0.95 COCO[C@H](C)COCCC(C)O 34a_100016172286_100012276601 [0,1,0,0,0,1|2,0,0]=4 8254 B12R0.95 COCO[C@H](C)COCCC(C)O 7a_100016172286_100012276601 [0,1,0,0,0,1|2,0,0]=4 8255 B12R0.95 COCO[C@H](C)COCCN(C)C 7a_100016172286_100000755713 [0,1,0,0,0,1|2,0,0]=4 8256 B12R0.95 COCO[C@H](C)COCOC(C)C 34a_100016172286_100000709892 [0,1,0,0,0,1|2,0,0]=4 8257 B12R0.95 CSCCC(C)NCCCC(C)C 270004a_200000737386_100011217047 [0,1,0,0,0,1|0,1,0]=3 8258 B12R0.95 CSCCC(C)NCCCN(C)C 270004a_102531767803_100011217047 [0,1,0,0,0,1|1,1,0]=4 8259 B12R0.95 CSCCC(C)NCCOC(C)C 270004a_100000701111_100011217047 [0,1,0,0,0,1|1,1,0]=4 8260 B12R0.95 CSCCC(C)NCCSC(C)C 270004a_100000731138_100011217047 [0,1,0,0,0,1|1,1,0]=4 8261 B12R0.95 CSCCN(C)CCCCC(C)C 2230a_100000686725_100011216152 [0,1,0,0,0,1|1,1,0]=4 8262 B12R0.95 CSCCN(C)CCCCC(C)C 269982a_100000686725_100011216152 [0,1,0,0,0,1|1,1,0]=4 8263 B12R0.95 CSCC[C@H](N)COCCC(C)C 34a_100011827619_100000210312 [0,1,0,0,0,1|1,1,0]=4 8264 B12R0.172 C=CCC(C)(C)OCCCC(C)C 7a_100011995686_100011214892 [0,1,0,0,0,1|1,0,1]=4 8265 B12R0.172 CC(C)CCCOC(C)(C)CCBr 7a_100000702414_100011214892 [0,1,0,0,0,1|1,0,0]=3 8266 B12R0.172 CC(C)CCOC[N+](C)(C)CCO 7a_100000210254_200010270792 [0,1,0,0,0,1|1,0,0]=3 8267 B12R0.172 CC(C)CCSC[N+](C)(C)CCO 62a_100000210312_200010270792 [0,1,0,0,0,1|1,0,0]=3 8268 B12R0.172 CC(C)CCSC[N+](C)(C)CCO 62a_200010270792_100000210312 [0,1,0,0,0,1|1,0,0]=3 8269 B12R0.172 CC(C)OCCOC(C)(C)CCBr 7a_100000702414_100000211751 [0,1,0,0,0,1|2,0,0]=4 8270 B12R0.172 CC(C)OCSC[N+](C)(C)CCO 62a_100000709892_200010270792 [0,1,0,0,0,1|2,0,0]=4 8271 B12R0.172 CC(C)OCSC[N+](C)(C)CCO 62a_200010270792_100000709892 [0,1,0,0,0,1|2,0,0]=4 8272 B12R0.172 CC(C)SCCOC(C)(C)CCBr 7a_100000702414_100000730970 [0,1,0,0,0,1|2,0,0]=4 8273 B12R0.172 CC(O)CCCOC(C)(C)CCBr 7a_100000702414_200000718107 [0,1,0,0,0,1|2,0,0]=4 8274 B12R0.172 CC(O)CCSC[N+](C)(C)CCO 62a_100012276601_200010270792 [0,1,0,0,0,1|2,0,0]=4 8275 B12R0.172 CC(O)CCSC[N+](C)(C)CCO 62a_200010270792_100012276601 [0,1,0,0,0,1|2,0,0]=4 8276 B12R0.172 CCCC(C)(C)COCCC(C)C 7a_100011995695_100000210626 [0,1,0,0,0,1|1,0,0]=3 8277 B12R0.172 CCCC(C)(C)COCCC(C)O 7a_100011995695_100012276601 [0,1,0,0,0,1|2,0,0]=4 8278 B12R0.172 CCCC(C)(C)COCCN(C)C 7a_100011995695_100000755713 [0,1,0,0,0,1|2,0,0]=4 8279 B12R0.172 CCCC(C)(C)OCCCC(C)C 7a_100000748436_100011214892 [0,1,0,0,0,1|1,0,0]=3 8280 B12R0.172 CCCC(C)(C)OCCCC(C)O 7a_100000748436_200000718107 [0,1,0,0,0,1|2,0,0]=4 8281 B12R0.172 CCCC(C)(C)OCCCN(C)C 7a_100000748436_100000757444 [0,1,0,0,0,1|2,0,0]=4 8282 B12R0.172 CCCC(C)(C)OCCOC(C)C 7a_100000748436_100000211751 [0,1,0,0,0,1|2,0,0]=4 8283 B12R0.172 CCCC(C)(C)OCCSC(C)C 7a_100000748436_100000730970 [0,1,0,0,0,1|2,0,0]=4 8284 B12R0.172 CCNC(C)(C)COCCC(C)C 7a_100000747347_100000210626 [0,1,0,0,0,1|2,0,0]=4 8285 B12R0.172 CN(C)CCCOC(C)(C)CCBr 7a_100000702414_100000757444 [0,1,0,0,0,1|2,0,0]=4 8286 B12R0.172 CN(C)CCSC[N+](C)(C)CCO 62a_200010270792_100000755713 [0,1,0,0,0,1|2,0,0]=4 8287 B12R0.172 COCC(C)(C)CNCCC(C)C 2230a_100000734190_100000210312 [0,1,0,0,0,1|2,0,0]=4 8288 B12R0.172 COCC(C)(C)CNCCC(C)C 269862a_100000734190_100000185833 [0,1,0,0,0,1|2,0,0]=4 8289 B12R0.172 COCC(C)(C)NCCCC(C)C 2230a_100000752728_100011214892 [0,1,0,0,0,1|2,0,0]=4 8290 B12R0.172 CSCC(C)(C)NCCCC(C)C 2230a_100000759623_100011214892 [0,1,0,0,0,1|2,0,0]=4 8291 B12R0.172 CSCC(C)(C)NCCCC(C)C 7a_100000759623_100011214892 [0,1,0,0,0,1|2,0,0]=4 8292 B12R0.224 C#CC(CCC)OCCCC(C)C 34a_200011217317_100011214892 [0,1,0,0,0,1|1,0,1]=4 8293 B12R0.224 C#CC(CCC)OCCCC(C)C 7a_200011217317_100011214892 [0,1,0,0,0,1|1,0,1]=4 8294 B12R0.224 C#CCC(CC)OCCCC(C)C 34a_200011217983_100011214892 [0,1,0,0,0,1|1,0,1]=4 8295 B12R0.224 C#CCC(CC)OCCCC(C)C 7a_200011217983_100011214892 [0,1,0,0,0,1|1,0,1]=4 8296 B12R0.224 C=CC(CCC)OCCCC(C)C 34a_100011216692_100011214892 [0,1,0,0,0,1|1,0,1]=4 8297 B12R0.224 C=CC(CCC)OCCCC(C)C 7a_100011216692_100011214892 [0,1,0,0,0,1|1,0,1]=4 8298 B12R0.224 C=CC[C@H](CO)NCCCC(C)C 2230a_100020615467_100011214892 [0,1,0,0,0,1|1,0,1]=4 8299 B12R0.224 CCC(COC)NCCCC(C)C 2230a_100000757820_100011214892 [0,1,0,0,0,1|2,0,0]=4 8300 B12R0.224 CCC(COC)NCCCC(C)C 270004a_200000737386_100000757811 [0,1,0,0,0,1|2,0,0]=4 8301 B12R0.224 CCC(COC)OCCCC(C)C 7a_200011214946_100011214892 [0,1,0,0,0,1|2,0,0]=4 8302 B12R0.224 CCCC(C#N)OCCCC(C)C 34a_100000686963_100011214892 [0,1,0,0,0,1|1,0,1]=4 8303 B12R0.224 CCCC(C#N)OCCCC(C)C 7a_100000686963_100011214892 [0,1,0,0,0,1|1,0,1]=4 8304 B12R0.224 CCCC(CC)NCCCC(C)C 2230a_100000747048_100011214892 [0,1,0,0,0,1|1,0,0]=3 8305 B12R0.224 CCCC(CC)NCCCC(C)C 270004a_200000737386_100000687865 [0,1,0,0,0,1|1,0,0]=3 8306 B12R0.224 CCCC(CC)NCCCC(C)O 2230a_100000747048_200000718107 [0,1,0,0,0,1|2,0,0]=4 8307 B12R0.224 CCCC(CC)NCCCN(C)C 270004a_102531767803_100000687865 [0,1,0,0,0,1|2,0,0]=4 8308 B12R0.224 CCCC(CC)NCCOC(C)C 2230a_100000747048_100000211751 [0,1,0,0,0,1|2,0,0]=4 8309 B12R0.224 CCCC(CC)NCCOC(C)C 270004a_100000701111_100000687865 [0,1,0,0,0,1|2,0,0]=4 8310 B12R0.224 CCCC(CC)NCCSC(C)C 2230a_100000747048_100000730970 [0,1,0,0,0,1|2,0,0]=4 8311 B12R0.224 CCCC(CC)NCCSC(C)C 270004a_100000731138_100000687865 [0,1,0,0,0,1|2,0,0]=4 8312 B12R0.224 CCCC(CC)OCCCC(C)C 34a_100000687864_100011214892 [0,1,0,0,0,1|1,0,0]=3 8313 B12R0.224 CCCC(CC)OCCCC(C)C 7a_100000210774_100011219200 [0,1,0,0,0,1|1,0,0]=3 8314 B12R0.224 CCCC(CC)OCCCC(C)C 7a_100000687864_100011214892 [0,1,0,0,0,1|1,0,0]=3 8315 B12R0.224 CCCC(CC)OCCCC(C)O 34a_100000687864_200000718107 [0,1,0,0,0,1|2,0,0]=4 8316 B12R0.224 CCCC(CC)OCCCC(C)O 7a_100000687864_200000718107 [0,1,0,0,0,1|2,0,0]=4 8317 B12R0.224 CCCC(CC)OCCCN(C)C 7a_100000687864_100000757444 [0,1,0,0,0,1|2,0,0]=4 8318 B12R0.224 CCCC(CC)OCCOC(C)C 34a_100000687864_100000211751 [0,1,0,0,0,1|2,0,0]=4 8319 B12R0.224 CCCC(CC)OCCOC(C)C 7a_100000211219_100011219200 [0,1,0,0,0,1|2,0,0]=4 8320 B12R0.224 CCCC(CC)OCCOC(C)C 7a_100000687864_100000211751 [0,1,0,0,0,1|2,0,0]=4 8321 B12R0.224 CCCC(CC)OCCSC(C)C 34a_100000687864_100000730970 [0,1,0,0,0,1|2,0,0]=4 8322 B12R0.224 CCCC(CC)OCCSC(C)C 7a_100000687864_100000730970 [0,1,0,0,0,1|2,0,0]=4 8323 B12R0.224 CCCC(CC)OCCSC(C)C 7a_200011212901_100011219200 [0,1,0,0,0,1|2,0,0]=4 8324 B12R0.224 CCCC(CC)SCCCC(C)C 62a_100011214892_100011219200 [0,1,0,0,0,1|1,0,0]=3 8325 B12R0.224 CCCC(CC)SCCCC(C)C 62a_100011219200_100011214892 [0,1,0,0,0,1|1,0,0]=3 8326 B12R0.224 CCCC(CC)SCCCC(C)O 62a_100011219200_200000718107 [0,1,0,0,0,1|2,0,0]=4 8327 B12R0.224 CCCC(CC)SCCCC(C)O 62a_200000718107_100011219200 [0,1,0,0,0,1|2,0,0]=4 8328 B12R0.224 CCCC(CC)SCCCN(C)C 62a_100011219200_100000757444 [0,1,0,0,0,1|2,0,0]=4 8329 B12R0.224 CCCC(CC)SCCOC(C)C 62a_100000211751_100011219200 [0,1,0,0,0,1|2,0,0]=4 8330 B12R0.224 CCCC(CC)SCCOC(C)C 62a_100011219200_100000211751 [0,1,0,0,0,1|2,0,0]=4 8331 B12R0.224 CCCC(CC)SCCSC(C)C 62a_100000730970_100011219200 [0,1,0,0,0,1|2,0,0]=4 8332 B12R0.224 CCCC(CC)SCCSC(C)C 62a_100011219200_100000730970 [0,1,0,0,0,1|2,0,0]=4 8333 B12R0.224 CCCC(CCOCC(C)C)SC 34a_100000032865_100000210624 [0,1,0,0,0,1|1,0,0]=3 8334 B12R0.224 CCCC(CCOCC(C)C)SC 7a_100000032865_100000210760 [0,1,0,0,0,1|1,0,0]=3 8335 B12R0.224 CCCC(CCOCC(C)O)SC 34a_100000032865_100011218427 [0,1,0,0,0,1|2,0,0]=4 8336 B12R0.224 CCCC(CCOCC(C)O)SC 7a_100000032865_100011218427 [0,1,0,0,0,1|2,0,0]=4 8337 B12R0.224 CCCC(CCOC[C@@H](C)O)SC 34a_100000032865_100009817552 [0,1,0,0,0,1|2,0,0]=4 8338 B12R0.224 CCCC(CCOC[C@@H](C)O)SC 7a_100000032865_100009817552 [0,1,0,0,0,1|2,0,0]=4 8339 B12R0.224 CCCN(CC)CCCCC(C)C 2230a_100000226822_100011216152 [0,1,0,0,0,1|2,0,0]=4 8340 B12R0.224 CCCN(CC)CCCCC(C)C 269982a_100000226822_100011216152 [0,1,0,0,0,1|2,0,0]=4 8341 B12R0.224 CCC[C@@H](CO)NCCCC(C)C 2230a_100000732646_100011214892 [0,1,0,0,0,1|1,0,0]=3 8342 B12R0.224 CCC[C@@H](CO)NCCCC(C)C 34a_100000732646_100011214892 [0,1,0,0,0,1|1,0,0]=3 8343 B12R0.224 CCC[C@@H](CO)NCCCC(C)O 2230a_100000732646_200000718107 [0,1,0,0,0,1|2,0,0]=4 8344 B12R0.224 CCC[C@@H](CO)NCCCC(C)O 34a_100000732646_200000718107 [0,1,0,0,0,1|2,0,0]=4 8345 B12R0.224 CCC[C@@H](CO)NCCOC(C)C 2230a_100000732646_100000211751 [0,1,0,0,0,1|2,0,0]=4 8346 B12R0.224 CCC[C@@H](CO)NCCOC(C)C 34a_100000732646_100000211751 [0,1,0,0,0,1|2,0,0]=4 8347 B12R0.224 CCC[C@@H](CO)NCCSC(C)C 2230a_100000732646_100000730970 [0,1,0,0,0,1|2,0,0]=4 8348 B12R0.224 CCC[C@@H](CO)NCCSC(C)C 34a_100000732646_100000730970 [0,1,0,0,0,1|2,0,0]=4 8349 B12R0.224 CCN(CCO)CCCCC(C)C 2230a_100000210973_100011216152 [0,1,0,0,0,1|1,0,0]=3 8350 B12R0.224 CCN(CCO)CCCCC(C)C 269982a_100000210973_100011216152 [0,1,0,0,0,1|1,0,0]=3 8351 B12R0.224 CCN(CCO)CCCCN(C)C 269982a_100000210973_100000690147 [0,1,0,0,0,1|2,0,0]=4 8352 B12R0.224 CCOC(CC)CNCCC(C)C 2230a_100015183923_100000210312 [0,1,0,0,0,1|2,0,0]=4 8353 B12R0.224 CCOC(CC)CNCCC(C)C 269862a_100015183923_100000185833 [0,1,0,0,0,1|2,0,0]=4 8354 B12R0.224 CCOC(CC)CNCCC(C)C 34a_100015183923_100000210312 [0,1,0,0,0,1|2,0,0]=4 8355 B12R0.224 CC[C@H](CC#N)NCCCC(C)C 2230a_200009818565_100011214892 [0,1,0,0,0,1|1,0,1]=4 8356 B12R0.224 COCC(CCl)OCCCC(C)C 34a_100011215053_100011214892 [0,1,0,0,0,1|2,0,0]=4 8357 B12R0.224 COCC(CN)OCCCC(C)C 34a_100000756049_100011214892 [0,1,0,0,0,1|2,0,0]=4 8358 B12R0.224 COCC(CO)NCCCC(C)C 2230a_100000724102_100011214892 [0,1,0,0,0,1|2,0,0]=4 8359 B12R0.224 COCC(CO)NCCCC(C)C 34a_100000724102_100011214892 [0,1,0,0,0,1|2,0,0]=4 8360 B12R0.270 CC(C)CC(C)NCCCC(C)O 2230a_100000692259_200000718107 [0,1,0,0,0,1|2,0,0]=4 8361 B12R0.270 CC(C)CC(C)NCCOC(C)C 2230a_100000692259_100000211751 [0,1,0,0,0,1|2,0,0]=4 8362 B12R0.270 CC(C)CC(C)NCCOC(C)C 2230a_100000701111_100000731052 [0,1,0,0,0,1|2,0,0]=4 8363 B12R0.270 CC(C)CC(C)NCCOC(C)C 34a_100000701111_100000731052 [0,1,0,0,0,1|2,0,0]=4 8364 B12R0.270 CC(C)CC(C)NCCSC(C)C 2230a_100000692259_100000730970 [0,1,0,0,0,1|2,0,0]=4 8365 B12R0.270 CC(C)CC(C)NCCSC(C)C 2230a_100000731138_100000731052 [0,1,0,0,0,1|2,0,0]=4 8366 B12R0.270 CC(C)CC(C)NCCSC(C)C 34a_100000731138_100000731052 [0,1,0,0,0,1|2,0,0]=4 8367 B12R0.270 CC(C)CC(C)OCCCC(C)O 34a_100000211805_200000718107 [0,1,0,0,0,1|2,0,0]=4 8368 B12R0.270 CC(C)CC(C)OCCCC(C)O 7a_100000211805_200000718107 [0,1,0,0,0,1|2,0,0]=4 8369 B12R0.270 CC(C)CC(C)OCCCN(C)C 7a_100000211805_100000757444 [0,1,0,0,0,1|2,0,0]=4 8370 B12R0.270 CC(C)CC(C)OCCNC(C)C 34a_100000224655_100000731052 [0,1,0,0,0,1|2,0,0]=4 8371 B12R0.270 CC(C)CC(C)OCCOC(C)C 34a_100000211219_100000731052 [0,1,0,0,0,1|2,0,0]=4 8372 B12R0.270 CC(C)CC(C)OCCOC(C)C 34a_100000211805_100000211751 [0,1,0,0,0,1|2,0,0]=4 8373 B12R0.270 CC(C)CC(C)OCCOC(C)C 7a_100000211219_100000731052 [0,1,0,0,0,1|2,0,0]=4 8374 B12R0.270 CC(C)CC(C)OCCOC(C)C 7a_100000211805_100000211751 [0,1,0,0,0,1|2,0,0]=4 8375 B12R0.270 CC(C)CC(C)OCCSC(C)C 34a_100000211805_100000730970 [0,1,0,0,0,1|2,0,0]=4 8376 B12R0.270 CC(C)CC(C)OCCSC(C)C 34a_200011212901_100000731052 [0,1,0,0,0,1|2,0,0]=4 8377 B12R0.270 CC(C)CC(C)OCCSC(C)C 7a_100000211805_100000730970 [0,1,0,0,0,1|2,0,0]=4 8378 B12R0.270 CC(C)CC(C)OCCSC(C)C 7a_200011212901_100000731052 [0,1,0,0,0,1|2,0,0]=4 8379 B12R0.270 CC(C)CC(C)SCCCC(C)O 62a_100000731052_200000718107 [0,1,0,0,0,1|2,0,0]=4 8380 B12R0.270 CC(C)CC(C)SCCCC(C)O 62a_200000718107_100000731052 [0,1,0,0,0,1|2,0,0]=4 8381 B12R0.270 CC(C)CC(C)SCCCN(C)C 62a_100000731052_100000757444 [0,1,0,0,0,1|2,0,0]=4 8382 B12R0.270 CC(C)CC(C)SCCOC(C)C 62a_100000211751_100000731052 [0,1,0,0,0,1|2,0,0]=4 8383 B12R0.270 CC(C)CC(C)SCCOC(C)C 62a_100000731052_100000211751 [0,1,0,0,0,1|2,0,0]=4 8384 B12R0.270 CC(C)CC(C)SCCSC(C)C 62a_100000730970_100000731052 [0,1,0,0,0,1|2,0,0]=4 8385 B12R0.270 CC(C)CC(C)SCCSC(C)C 62a_100000731052_100000730970 [0,1,0,0,0,1|2,0,0]=4 8386 B12R0.270 CC(C)CCCCC(=O)CC(C)O 1458a_100011933920_100011218427 [0,1,0,0,0,1|1,0,1]=4 8387 B12R0.270 CC(C)CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011216152 [0,1,0,0,0,1|1,0,1]=4 8388 B12R0.270 CC(C)CCCCN(C)CC(=O)O 269956a_100000746989_100011216152 [0,1,0,0,0,1|1,0,1]=4 8389 B12R0.270 CC(C)CCCCN(C)CC(C)C 2230a_100000747067_100011216152 [0,1,0,0,0,1|2,0,0]=4 8390 B12R0.270 CC(C)CCCCN(C)CC(C)C 269982a_100000747067_100011216152 [0,1,0,0,0,1|2,0,0]=4 8391 B12R0.270 CC(C)CCCCN(C)CC(C)O 2230a_100000227577_100011216152 [0,1,0,0,0,1|1,0,0]=3 8392 B12R0.270 CC(C)CCCCN(C)CC(C)O 269982a_100000227577_100011216152 [0,1,0,0,0,1|1,0,0]=3 8393 B12R0.270 CC(C)CCCNC(=O)C[C@@H](C)O 240690a_200000737386_100011933948 [0,1,0,0,0,1|1,0,1]=4 8394 B12R0.270 CC(C)CCCNC(C)CC(C)C 2230a_100000692259_100011214892 [0,1,0,0,0,1|1,0,0]=3 8395 B12R0.270 CC(C)CCCNC(C)CC(C)C 2230a_200000737386_100000731052 [0,1,0,0,0,1|1,0,0]=3 8396 B12R0.270 CC(C)CCCNC(C)CC(C)C 34a_200000737386_100000731052 [0,1,0,0,0,1|1,0,0]=3 8397 B12R0.270 CC(C)CCCOC(C)CC(C)C 34a_100000210774_100000731052 [0,1,0,0,0,1|1,0,0]=3 8398 B12R0.270 CC(C)CCCOC(C)CC(C)C 34a_100000211805_100011214892 [0,1,0,0,0,1|1,0,0]=3 8399 B12R0.270 CC(C)CCCOC(C)CC(C)C 7a_100000210774_100000731052 [0,1,0,0,0,1|1,0,0]=3 8400 B12R0.270 CC(C)CCCOC(C)CC(C)C 7a_100000211805_100011214892 [0,1,0,0,0,1|1,0,0]=3 8401 B12R0.270 CC(C)CCCSC(C)CC(C)C 62a_100000731052_100011214892 [0,1,0,0,0,1|1,0,0]=3 8402 B12R0.270 CC(C)CCCSC(C)CC(C)C 62a_100011214892_100000731052 [0,1,0,0,0,1|1,0,0]=3 8403 B12R0.270 CC(C)CCCSC(C)CN(C)C 62a_100011214892_100020606517 [0,1,0,0,0,1|2,0,0]=4 8404 B12R0.270 CC(C)CCCSC(C)CN(C)C 62a_100020606517_100011214892 [0,1,0,0,0,1|2,0,0]=4 8405 B12R0.270 CC(C)CCNCC(O)CC(=O)O 269956a_100011218706_100000210312 [0,1,0,0,0,1|1,0,1]=4 8406 B12R0.270 CC(C)CCOCC(C)CN(C)C 7a_100000210254_100015348159 [0,1,0,0,0,1|2,0,0]=4 8407 B12R0.270 CC(C)CCOC[C@@H](N)CC(C)C 34a_100011830311_100000210312 [0,1,0,0,0,1|2,0,0]=4 8408 B12R0.270 CC(C)CCSCC(C)CN(C)C 62a_100000210312_100015348159 [0,1,0,0,0,1|2,0,0]=4 8409 B12R0.270 CC(C)CCSCC(C)CN(C)C 62a_100015348159_100000210312 [0,1,0,0,0,1|2,0,0]=4 8410 B12R0.270 CC(C)COCC[C@@H](N)CC(C)C 34a_100161151251_100000210624 [0,1,0,0,0,1|2,0,0]=4 8411 B12R0.270 CC(O)CN(C)CCCCN(C)C 269982a_100000227577_100000690147 [0,1,0,0,0,1|2,0,0]=4 8412 B12R0.272 C=CCC(C)COC(C)CC(C)C 34a_100009832082_100000731052 [0,1,0,0,0,1|1,0,1]=4 8413 B12R0.272 C=CCC(C)COC(C)CC(C)C 7a_100009832082_100000731052 [0,1,0,0,0,1|1,0,1]=4 8414 B12R0.272 CC(C)CC(C)OCC(C)CCN 34a_106354213184_100000731052 [0,1,0,0,0,1|1,0,0]=3 8415 B12R0.272 CC(C)C[C@H](N)COC(C)CCO 34a_100011830311_100009893172 [0,1,0,0,0,1|0,0,0]=2 8416 B12R0.272 CC(C)NC(=O)CCN(C)CCO 2230a_100000210263_100000737564 [0,1,0,0,0,1|1,0,1]=4 8417 B12R0.272 CC(C)NC(=O)CCN(C)CCO 269982a_100000210263_100000737564 [0,1,0,0,0,1|1,0,1]=4 8418 B12R0.272 CC(C)NC(=O)CNC(C)CCO 2230a_100000168517_100009893172 [0,1,0,0,0,1|1,0,1]=4 8419 B12R0.272 CC(C)NC(=O)CN[C@H](C)CCO 2230a_100000706166_100000183996 [0,1,0,0,0,1|1,0,1]=4 8420 B12R0.272 CC(C)NC(=O)CN[C@H](C)CCO 34a_100000706166_100000183996 [0,1,0,0,0,1|1,0,1]=4 8421 B12R0.272 CC(C)NC(=O)CSC(C)CCO 62a_100000183996_100009893172 [0,1,0,0,0,1|1,0,1]=4 8422 B12R0.272 CC(C)NC(=O)CSC(C)CCO 62a_100009893172_100000183996 [0,1,0,0,0,1|1,0,1]=4 8423 B12R0.272 CC(C)OC(=O)CCN(C)CCO 2230a_100000210263_100000760027 [0,1,0,0,0,1|1,0,1]=4 8424 B12R0.272 CC(C)OC(=O)CCN(C)CCO 269982a_100000210263_100000760027 [0,1,0,0,0,1|1,0,1]=4 8425 B12R0.272 CC(C)OC(=O)CN[C@H](C)CCO 2230a_100000706166_100011215430 [0,1,0,0,0,1|1,0,1]=4 8426 B12R0.272 CC(C)OC(=O)CN[C@H](C)CCO 34a_100000706166_100011215430 [0,1,0,0,0,1|1,0,1]=4 8427 B12R0.272 CC(C)OC(=O)CSC(C)CCO 62a_100009893172_100011215430 [0,1,0,0,0,1|1,0,1]=4 8428 B12R0.272 CC(C)OC(=O)CSC(C)CCO 62a_100011215430_100009893172 [0,1,0,0,0,1|1,0,1]=4 8429 B12R0.272 CC(CN[C@H](C)CCO)CN(C)C 2230a_100000706166_100015348159 [0,1,0,0,0,1|1,0,0]=3 8430 B12R0.272 CC(CSC(C)CCO)CN(C)C 62a_100009893172_100015348159 [0,1,0,0,0,1|1,0,0]=3 8431 B12R0.272 CC(CSC(C)CCO)CN(C)C 62a_100015348159_100009893172 [0,1,0,0,0,1|1,0,0]=3 8432 B12R0.272 CCCC(C)CNC(C)CC(C)C 2230a_100000692259_100011216630 [0,1,0,0,0,1|1,0,0]=3 8433 B12R0.272 CCCC(C)CNC(C)CC(C)C 270004a_100000692259_100000243154 [0,1,0,0,0,1|1,0,0]=3 8434 B12R0.272 CCCC(C)COC(C)CC(C)C 34a_100000211805_100011216630 [0,1,0,0,0,1|1,0,0]=3 8435 B12R0.272 CCCC(C)COC(C)CC(C)C 34a_100000688023_100000731052 [0,1,0,0,0,1|1,0,0]=3 8436 B12R0.272 CCCC(C)COC(C)CC(C)C 7a_100000211805_100011216630 [0,1,0,0,0,1|1,0,0]=3 8437 B12R0.272 CCCC(C)COC(C)CC(C)C 7a_100000688023_100000731052 [0,1,0,0,0,1|1,0,0]=3 8438 B12R0.272 CCCC(C)CSC(C)CC(C)C 62a_100000731052_100011216630 [0,1,0,0,0,1|1,0,0]=3 8439 B12R0.272 CCCC(C)CSC(C)CC(C)C 62a_100011216630_100000731052 [0,1,0,0,0,1|1,0,0]=3 8440 B12R0.272 CCCC(C)CSC(C)CN(C)C 62a_100011216630_100020606517 [0,1,0,0,0,1|2,0,0]=4 8441 B12R0.272 CCCC(C)CSC(C)CN(C)C 62a_100020606517_100011216630 [0,1,0,0,0,1|2,0,0]=4 8442 B12R0.272 CCCC(C)NCC(C)CN(C)C 2230a_100000741246_100015348159 [0,1,0,0,0,1|2,0,0]=4 8443 B12R0.272 CCCC(C)OCC(C)CN(C)C 7a_100000764384_100015348159 [0,1,0,0,0,1|2,0,0]=4 8444 B12R0.272 CCCC(C)OC[C@@H](N)CC(C)C 34a_100011830311_100000766640 [0,1,0,0,0,1|1,0,0]=3 8445 B12R0.272 CCCC(C)SCC(C)CN(C)C 62a_100000766640_100015348159 [0,1,0,0,0,1|2,0,0]=4 8446 B12R0.272 CCCC(C)SCC(C)CN(C)C 62a_100015348159_100000766640 [0,1,0,0,0,1|2,0,0]=4 8447 B12R0.272 CCC[C@H](N)COC(C)CC(C)C 34a_100000732646_100000731052 [0,1,0,0,0,1|2,0,0]=4 8448 B12R0.272 COCC(C)OC[C@@H](N)CC(C)C 34a_100011830311_100000765312 [0,1,0,0,0,1|2,0,0]=4 8449 B12R0.276 C#CC(C)OCCCC(C)CCC 34a_100011713154_200000035995 [0,1,0,0,0,1|1,0,1]=4 8450 B12R0.276 CC(CCO)OCCC[C@@H](C)CN 34a_100160569302_100009893172 [0,1,0,0,0,1|0,0,0]=2 8451 B12R0.276 CCC(C)CCCOC(C)CC#N 7a_100011216074_100009813641 [0,1,0,0,0,1|1,0,1]=4 8452 B12R0.276 CCC(C)CCCOC(C)CCO 7a_100011216074_100009893172 [0,1,0,0,0,1|0,0,0]=2 8453 B12R0.276 CCC(C)CCCOC(C)COC 7a_100011216074_100000765312 [0,1,0,0,0,1|2,0,0]=4 8454 B12R0.276 CCCC(C)CCCOC(C)C#N 7a_100011713154_100000703298 [0,1,0,0,0,1|1,0,1]=4 8455 B12R0.276 CCCC(C)CCCOC(C)CC 34a_100011713154_100011215416 [0,1,0,0,0,1|1,0,0]=3 8456 B12R0.276 CCCC(C)CCCOC(C)CC 7a_100011713154_100000758301 [0,1,0,0,0,1|1,0,0]=3 8457 B12R0.276 CCCC(C)CCCOC(C)CO 34a_100011713154_100012180447 [0,1,0,0,0,1|1,0,0]=3 8458 B12R0.276 CCCC(C)CCCOC(C)CO 7a_100011713154_100012180447 [0,1,0,0,0,1|1,0,0]=3 8459 B12R0.276 CCCC(C)CCOCC(C)CC 34a_100011217855_100000748023 [0,1,0,0,0,1|1,0,0]=3 8460 B12R0.276 CCCC(C)CCOCC(C)CC 7a_100011217855_100000748023 [0,1,0,0,0,1|1,0,0]=3 8461 B12R0.276 CCCC(C)CCOCC(O)CC 34a_100011217855_100011218378 [0,1,0,0,0,1|2,0,0]=4 8462 B12R0.276 CCCC(C)CCOCC(O)CC 7a_100011217855_100011218378 [0,1,0,0,0,1|2,0,0]=4 8463 B12R0.276 CCCC(C)CCOCC(O)CO 34a_100011217855_100011219619 [0,1,0,0,0,1|2,0,0]=4 8464 B12R0.276 CCCC(C)CCOCC(O)CO 7a_100011217855_100011219619 [0,1,0,0,0,1|2,0,0]=4 8465 B12R0.276 CCCC(C)CCOC[C@@H](C)CC 34a_100011217855_100009816398 [0,1,0,0,0,1|1,0,0]=3 8466 B12R0.276 CCCC(C)CCOC[C@@H](C)CC 7a_100011217855_100009816398 [0,1,0,0,0,1|1,0,0]=3 8467 B12R0.276 CCCC(C)CCOC[C@@H](C)CO 34a_100011217855_100000059175 [0,1,0,0,0,1|1,0,0]=3 8468 B12R0.276 CCCC(C)CCOC[C@@H](C)CO 7a_100011217855_100000059175 [0,1,0,0,0,1|1,0,0]=3 8469 B12R0.276 CCCC(C)CCOC[C@@H](O)CF 34a_100011217855_100015614560 [0,1,0,0,0,1|2,0,0]=4 8470 B12R0.276 CCCC(C)CCOC[C@@H](O)CF 7a_100011217855_100015614560 [0,1,0,0,0,1|2,0,0]=4 8471 B12R0.276 CCCC(C)CCOC[C@@H](O)CO 34a_100011217855_100009815848 [0,1,0,0,0,1|2,0,0]=4 8472 B12R0.276 CCCC(C)CCOC[C@@H](O)CO 7a_100011217855_100009815848 [0,1,0,0,0,1|2,0,0]=4 8473 B12R0.276 CCCC(C)CNCCC(C)CC 2230a_100020591266_100011216630 [0,1,0,0,0,1|1,0,0]=3 8474 B12R0.276 CCCC(C)CNCCC(C)CC 270004a_100020591266_100000243154 [0,1,0,0,0,1|1,0,0]=3 8475 B12R0.276 CCCC(C)CNCCC(C)CO 2230a_106354213184_100011216630 [0,1,0,0,0,1|1,0,0]=3 8476 B12R0.276 CCCC(C)CNCCC(C)CO 270004a_106354213184_100000243154 [0,1,0,0,0,1|1,0,0]=3 8477 B12R0.276 CCCC(C)CNCCC(C)CO 34a_106354213184_100011216630 [0,1,0,0,0,1|1,0,0]=3 8478 B12R0.276 CCCC(C)COCCC(C)CC 7a_100011215188_100011216630 [0,1,0,0,0,1|1,0,0]=3 8479 B12R0.276 CCCC(C)COCCC(C)OC 7a_100000764861_100011216630 [0,1,0,0,0,1|1,0,0]=3 8480 B12R0.276 CCCC(C)NCCCN(C)CC 2230a_100000741246_100015186262 [0,1,0,0,0,1|2,0,0]=4 8481 B12R0.276 CCCC(C)OCCCC(C)CC 7a_100011216074_100000766640 [0,1,0,0,0,1|1,0,0]=3 8482 B12R0.276 CCCC(C)OCCCN(C)CC 7a_100000764384_100015186262 [0,1,0,0,0,1|2,0,0]=4 8483 B12R0.276 CCCC(C)OCCC[C@@H](C)CN 34a_100160569302_100000766640 [0,1,0,0,0,1|1,0,0]=3 8484 B12R0.276 CCCC(C)SCCCN(C)CC 62a_100000766640_100015186262 [0,1,0,0,0,1|2,0,0]=4 8485 B12R0.276 CCC[C@H](N)CCOCC(C)CC 34a_100015193777_100000748023 [0,1,0,0,0,1|2,0,0]=4 8486 B12R0.276 CCC[C@H](N)CCOC[C@@H](C)CC 34a_100015193777_100009816398 [0,1,0,0,0,1|2,0,0]=4 8487 B12R0.276 CCC[C@H](N)CCOC[C@@H](C)CO 34a_100015193777_100000059175 [0,1,0,0,0,1|2,0,0]=4 8488 B12R0.276 CCN(C)CCCN[C@H](C)CCO 2230a_100000706166_100015186262 [0,1,0,0,0,1|1,0,0]=3 8489 B12R0.276 CCN(C)CCCSC(C)CCO 62a_100009893172_100015186262 [0,1,0,0,0,1|1,0,0]=3 8490 B12R0.276 CNC(=O)CCCNC(C)CCO 2230a_100000740002_100009893172 [0,1,0,0,0,1|1,0,1]=4 8491 B12R0.276 CNC(=O)CCCNC(C)CCO 34a_100000740002_100009893172 [0,1,0,0,0,1|1,0,1]=4 8492 B12R0.276 CNC(=O)CCCN[C@H](C)CCO 2230a_100000706166_100000741757 [0,1,0,0,0,1|1,0,1]=4 8493 B12R0.276 CNC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000741757 [0,1,0,0,0,1|1,0,1]=4 8494 B12R0.276 CNC(=O)CCCSC(C)CCO 62a_100000741757_100009893172 [0,1,0,0,0,1|1,0,1]=4 8495 B12R0.276 CNC(=O)CCCSC(C)CCO 62a_100009893172_100000741757 [0,1,0,0,0,1|1,0,1]=4 8496 B12R0.276 COC(=O)CCCN[C@H](C)CCO 2230a_100000706166_100011218270 [0,1,0,0,0,1|1,0,1]=4 8497 B12R0.276 COC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000742333 [0,1,0,0,0,1|1,0,1]=4 8498 B12R0.276 COC(=O)CCCSC(C)CCO 62a_100009893172_100011218270 [0,1,0,0,0,1|1,0,1]=4 8499 B12R0.276 COC(=O)CCCSC(C)CCO 62a_100011218270_100009893172 [0,1,0,0,0,1|1,0,1]=4 8500 B12R0.276 COCC(C)OCCC[C@@H](C)CN 34a_100160569302_100000765312 [0,1,0,0,0,1|2,0,0]=4 8501 B12R0.279 CC(CCN)COCC(=O)C(C)C 34a_106354213184_100000753385 [0,1,0,0,0,1|1,0,1]=4 8502 B12R0.279 CC(CCO)NCCC(=O)N(C)C 2230a_100000738053_100009893172 [0,1,0,0,0,1|1,0,1]=4 8503 B12R0.279 CC(CCO)OCCC(=O)N(C)C 34a_200000747469_100009893172 [0,1,0,0,0,1|1,0,1]=4 8504 B12R0.279 CC(CCO)OCCC(N)C(C)C 34a_100161115045_100009893172 [0,1,0,0,0,1|0,0,0]=2 8505 B12R0.279 CC(CCO)SCCC(=O)N(C)C 62a_100000737620_100009893172 [0,1,0,0,0,1|1,0,1]=4 8506 B12R0.279 CC(CCO)SCCC(=O)N(C)C 62a_100009893172_100000737620 [0,1,0,0,0,1|1,0,1]=4 8507 B12R0.279 CC(CCO)SCOC(=O)C(C)C 62a_100000139345_100009893172 [0,1,0,0,0,1|1,0,1]=4 8508 B12R0.279 CC(CCO)SCOC(=O)C(C)C 62a_100009893172_100000139345 [0,1,0,0,0,1|1,0,1]=4 8509 B12R0.279 CCCC(C)CNCC(O)C(C)C 2230a_100000759067_100011216630 [0,1,0,0,0,1|1,0,0]=3 8510 B12R0.279 CCCC(C)CNCC(O)C(C)C 270004a_100000759067_100000243154 [0,1,0,0,0,1|1,0,0]=3 8511 B12R0.279 CCCC(C)CNCC(O)C(C)C 34a_100000759067_100011216630 [0,1,0,0,0,1|1,0,0]=3 8512 B12R0.279 CCCC(C)COCC(=O)C(C)C 34a_100000688023_100000753385 [0,1,0,0,0,1|1,0,1]=4 8513 B12R0.279 CCCC(C)COCC(=O)C(C)C 7a_100000688023_100000753385 [0,1,0,0,0,1|1,0,1]=4 8514 B12R0.279 CCCC(C)COC[C@H](N)C(C)C 34a_100011830312_100011216630 [0,1,0,0,0,1|1,0,0]=3 8515 B12R0.279 CCCC(C)CSCC(=O)C(C)C 62a_100000753385_100011216630 [0,1,0,0,0,1|1,0,1]=4 8516 B12R0.279 CCCC(C)CSCC(=O)C(C)C 62a_100011216630_100000753385 [0,1,0,0,0,1|1,0,1]=4 8517 B12R0.279 CCCC(C)NCCN(C)C(C)C 270004a_100000749581_100000211909 [0,1,0,0,0,1|2,0,0]=4 8518 B12R0.279 CCCC(C)OCCC(N)C(C)C 34a_100161115045_100000766640 [0,1,0,0,0,1|1,0,0]=3 8519 B12R0.279 CN(CCO)CCCC(=O)N(C)C 2230a_100000210263_100000737642 [0,1,0,0,0,1|2,0,0]=4 8520 B12R0.279 CN(CCO)CCCC(=O)N(C)C 269982a_100000210263_100000737642 [0,1,0,0,0,1|2,0,0]=4 8521 B12R0.279 COCC(C)OCCC(N)C(C)C 34a_100161115045_100000765312 [0,1,0,0,0,1|2,0,0]=4 8522 B12R0.279 C[C@H](CCO)NCCC(=O)N(C)C 2230a_100000706166_100000737620 [0,1,0,0,0,1|1,0,1]=4 8523 B12R0.283 C#CCC(C)OC(C)CCC(C)C 34a_100000685586_100011261404 [0,1,0,0,0,1|1,0,1]=4 8524 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 8525 B12R0.283 C=CC[C@@H](C)OC(C)CCC(C)C 34a_100000731007_100011261404 [0,1,0,0,0,1|1,0,1]=4 8526 B12R0.283 CC(C)CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000181311 [0,1,0,0,0,1|0,0,1]=3 8527 B12R0.283 CC(C)CCC(=O)N[C@H](C)CCO 527a_100000706166_100000181311 [0,1,0,0,0,1|0,0,1]=3 8528 B12R0.283 CC(C)CCC(C)NC(=O)CCO 240690a_100138410893_100011216618 [0,1,0,0,0,1|1,0,1]=4 8529 B12R0.283 CC(C)CCC(C)NC(C)CC#N 2230a_100138410893_100009813641 [0,1,0,0,0,1|1,0,1]=4 8530 B12R0.283 CC(C)CCC(C)NC(C)CCO 2230a_100138410893_100009893172 [0,1,0,0,0,1|0,0,0]=2 8531 B12R0.283 CC(C)CCC(C)N[C@@H](C)CC#N 2230a_100016994482_100011261404 [0,1,0,0,0,1|1,0,1]=4 8532 B12R0.283 CC(C)CCC(C)N[C@H](C)CCO 2230a_100000706166_100011261404 [0,1,0,0,0,1|0,0,0]=2 8533 B12R0.283 CC(C)CCC(C)N[C@H](C)CCO 270004a_100000706166_100000210476 [0,1,0,0,0,1|0,0,0]=2 8534 B12R0.283 CC(C)CCC(C)N[C@H](C)CCO 34a_100000706166_100011261404 [0,1,0,0,0,1|0,0,0]=2 8535 B12R0.283 CC(C)CCC(C)OC(C)CC#N 7a_100011215350_100009813641 [0,1,0,0,0,1|1,0,1]=4 8536 B12R0.283 CC(C)CCC(C)OC(C)CCBr 34a_100012276601_100011261404 [0,1,0,0,0,1|1,0,0]=3 8537 B12R0.283 CC(C)CCC(C)OC(C)CCO 34a_100011215350_100009893172 [0,1,0,0,0,1|0,0,0]=2 8538 B12R0.283 CC(C)CCC(C)OC(C)CCO 7a_100011215350_100009893172 [0,1,0,0,0,1|0,0,0]=2 8539 B12R0.283 CC(C)CCC(C)SC(C)CC#N 62a_100009813641_100011261404 [0,1,0,0,0,1|1,0,1]=4 8540 B12R0.283 CC(C)CCC(C)SC(C)CC#N 62a_100011261404_100009813641 [0,1,0,0,0,1|1,0,1]=4 8541 B12R0.283 CC(C)CCC(C)SC(C)CCO 62a_100009893172_100011261404 [0,1,0,0,0,1|0,0,0]=2 8542 B12R0.283 CC(C)CCC(C)SC(C)CCO 62a_100011261404_100009893172 [0,1,0,0,0,1|0,0,0]=2 8543 B12R0.283 CC(C)CNC(=O)CN(C)CCO 2230a_100000210263_100000183291 [0,1,0,0,0,1|1,0,1]=4 8544 B12R0.283 CC(C)CNC(=O)CN(C)CCO 269982a_100000210263_100000183291 [0,1,0,0,0,1|1,0,1]=4 8545 B12R0.283 CC(C)CNC(=O)N[C@H](C)CCO 2708a_100000210953_100000706166 [0,1,0,0,0,1|1,0,1]=4 8546 B12R0.283 CC(C)CNC(=O)N[C@H](C)CCO 273464a_100000706166_100000210953 [0,1,0,0,0,1|1,0,1]=4 8547 B12R0.283 CC(C)CNC(=O)N[C@H](C)CCO 512a_100000210953_100000706166 [0,1,0,0,0,1|1,0,1]=4 8548 B12R0.283 CC(C)CNC(=O)N[C@H](C)CCO 512a_100000706166_100000210953 [0,1,0,0,0,1|1,0,1]=4 8549 B12R0.283 CC(C)OCC(=O)N[C@H](C)CCO 240690a_100000706166_100000745533 [0,1,0,0,0,1|1,0,1]=4 8550 B12R0.283 CC(C)OCC(=O)N[C@H](C)CCO 527a_100000706166_100000745533 [0,1,0,0,0,1|1,0,1]=4 8551 B12R0.283 CC(C)SCC(=O)N[C@H](C)CCO 240690a_100000706166_100000241585 [0,1,0,0,0,1|1,0,1]=4 8552 B12R0.283 CC(C)SCC(=O)N[C@H](C)CCO 527a_100000706166_100000241585 [0,1,0,0,0,1|1,0,1]=4 8553 B12R0.283 CCCC(C)CC(=O)CCC(C)C 1458a_100000181311_100011216630 [0,1,0,0,0,1|1,0,0]=3 8554 B12R0.283 CCCC(C)CC(=O)CCC(C)C 1458a_100000748435_100000210312 [0,1,0,0,0,1|1,0,0]=3 8555 B12R0.283 CCCC(C)CC(=O)CCC(C)O 1458a_100000748435_100012276601 [0,1,0,0,0,1|2,0,0]=4 8556 B12R0.283 CCCC(C)CC(=O)CC[S+](C)C 1458a_100009452791_100011216630 [0,1,0,0,0,1|2,0,0]=4 8557 B12R0.283 CCCC(C)CC(=O)COC(C)C 1458a_100000745533_100011216630 [0,1,0,0,0,1|1,0,1]=4 8558 B12R0.283 CCCC(C)CC(=O)CSC(C)C 1458a_100000241585_100011216630 [0,1,0,0,0,1|1,0,1]=4 8559 B12R0.283 CCCC(C)CC(=O)NCC(C)C 11a_100000210953_100000748435 [0,1,0,0,0,1|1,0,1]=4 8560 B12R0.283 CCCC(C)CC(=O)NCC(C)C 1626a_100000210953_100000748435 [0,1,0,0,0,1|1,0,1]=4 8561 B12R0.283 CCCC(C)CC(=O)NCC(C)C 240690a_100000210953_100000748435 [0,1,0,0,0,1|1,0,1]=4 8562 B12R0.283 CCCC(C)CC(=O)NCC(C)C 527a_100000210953_100000748435 [0,1,0,0,0,1|1,0,1]=4 8563 B12R0.283 CCCC(C)CN(C)CCC(C)C 2230a_100000742789_100011216630 [0,1,0,0,0,1|1,0,0]=3 8564 B12R0.283 CCCC(C)CN(C)CCC(C)C 269982a_100000742789_100011216630 [0,1,0,0,0,1|1,0,0]=3 8565 B12R0.283 CCCC(C)CN(C)CCC(C)C 270004a_100000742789_100000243154 [0,1,0,0,0,1|1,0,0]=3 8566 B12R0.283 CCCC(C)CN(C)CCN(C)C 269982a_100000225618_100011216630 [0,1,0,0,0,1|2,0,0]=4 8567 B12R0.283 CCCC(C)CN(C)CCN(C)C 270004a_100000225618_100000243154 [0,1,0,0,0,1|2,0,0]=4 8568 B12R0.283 CCCC(C)NC(=O)CCC(C)C 11a_100000741246_100000181311 [0,1,0,0,0,1|1,0,1]=4 8569 B12R0.283 CCCC(C)NC(=O)CCC(C)C 1626a_100000741246_100000181311 [0,1,0,0,0,1|1,0,1]=4 8570 B12R0.283 CCCC(C)NC(=O)CCC(C)C 240690a_100000741246_100000181311 [0,1,0,0,0,1|1,0,1]=4 8571 B12R0.283 CCCC(C)NC(=O)CCC(C)C 527a_100000741246_100000181311 [0,1,0,0,0,1|1,0,1]=4 8572 B12R0.283 CCCC(C)NC(C)CCC(C)C 2230a_100000741246_100011261404 [0,1,0,0,0,1|1,0,0]=3 8573 B12R0.283 CCCC(C)NC(C)CCC(C)C 2230a_100138410893_100000766640 [0,1,0,0,0,1|1,0,0]=3 8574 B12R0.283 CCCC(C)NC(C)CCC(C)C 270004a_100000741246_100000210476 [0,1,0,0,0,1|1,0,0]=3 8575 B12R0.283 CCCC(C)NC(C)CCC(C)C 270004a_100138410893_100000211909 [0,1,0,0,0,1|1,0,0]=3 8576 B12R0.283 CCCC(C)OC(C)CCC(C)C 34a_100000764384_100011261404 [0,1,0,0,0,1|1,0,0]=3 8577 B12R0.283 CCCC(C)OC(C)CCC(C)C 34a_100011215350_100000766640 [0,1,0,0,0,1|1,0,0]=3 8578 B12R0.283 CCCC(C)OC(C)CCC(C)C 7a_100011215350_100000766640 [0,1,0,0,0,1|1,0,0]=3 8579 B12R0.283 CCCC(C)SC(C)CCC(C)C 62a_100000766640_100011261404 [0,1,0,0,0,1|1,0,0]=3 8580 B12R0.283 CCCC(C)SC(C)CCC(C)C 62a_100011261404_100000766640 [0,1,0,0,0,1|1,0,0]=3 8581 B12R0.283 CCSC(C)CC(=O)CCC(C)C 1458a_200011311441_100000210312 [0,1,0,0,0,1|2,0,0]=4 8582 B12R0.283 COCC(C)NC(C)CCC(C)C 2230a_100138410893_100000765312 [0,1,0,0,0,1|2,0,0]=4 8583 B12R0.283 COCC(C)NC(C)CCC(C)C 270004a_100138410893_100000749346 [0,1,0,0,0,1|2,0,0]=4 8584 B12R0.283 COCC(C)OC(C)CCC(C)C 34a_100011215350_100000765312 [0,1,0,0,0,1|2,0,0]=4 8585 B12R0.283 COCC(C)OC(C)CCC(C)C 7a_100011215350_100000765312 [0,1,0,0,0,1|2,0,0]=4 8586 B12R0.283 COCC(C)SC(C)CCC(C)C 62a_100000765312_100011261404 [0,1,0,0,0,1|2,0,0]=4 8587 B12R0.283 COCC(C)SC(C)CCC(C)C 62a_100011261404_100000765312 [0,1,0,0,0,1|2,0,0]=4 8588 B12R0.283 COC[C@@H](C)NC(C)CCC(C)C 2230a_100000764878_100011261404 [0,1,0,0,0,1|2,0,0]=4 8589 B12R0.283 COC[C@@H](C)NC(C)CCC(C)C 270004a_100000764878_100000210476 [0,1,0,0,0,1|2,0,0]=4 8590 B12R0.283 COC[C@@H](C)OC(C)CCC(C)C 34a_100011934205_100011261404 [0,1,0,0,0,1|2,0,0]=4 8591 B12R0.283 CSCC(C)NC(C)CCC(C)C 270004a_100138410893_100011216314 [0,1,0,0,0,1|2,0,0]=4 8592 B12R0.283 C[C@H](CCO)NC(=O)CCN(C)C 240690a_100000706166_100000689311 [0,1,0,0,0,1|1,0,1]=4 8593 B12R0.283 C[C@H](CCO)NC(=O)CCN(C)C 527a_100000706166_100000689311 [0,1,0,0,0,1|1,0,1]=4 8594 B12R0.283 C[C@H](CCO)NC(=O)CC[S+](C)C 240690a_100000706166_100009452791 [0,1,0,0,0,1|1,0,1]=4 8595 B12R0.2 C=CCCC(C)NC(C)CC(C)C 270004a_100000692259_100000762624 [0,2,0,0,0,0|2,0,0]=4 8596 B12R0.2 C=CCCC(C)OC(C)CC(C)C 34a_100000765329_100000731052 [0,2,0,0,0,0|2,0,0]=4 8597 B12R0.2 C=CCCC(C)OC(C)CC(C)C 7a_100000765329_100000731052 [0,2,0,0,0,0|2,0,0]=4 8598 B12R0.2 CC(C)CC(C)OC(C)CCCCl 34a_200000718107_100000731052 [0,2,0,0,0,0|2,0,0]=4 8599 B12R0.2 CC(C)CC(C)OC(C)CCCCl 7a_200000718107_100000731052 [0,2,0,0,0,0|2,0,0]=4 8600 B12R0.2 CC(CN(C)C)CN(C)CCCO 2230a_100000213112_100015348159 [0,2,0,0,0,0|2,0,0]=4 8601 B12R0.2 CC(CN(C)C)CN(C)CCCO 269982a_100000213112_100015348159 [0,2,0,0,0,0|2,0,0]=4 8602 B12R0.2 CCCCC(C)NC(C)CC(C)C 2230a_100000126638_100000731052 [0,2,0,0,0,0|2,0,0]=4 8603 B12R0.2 CCCCC(C)NC(C)CC(C)C 2230a_100000692259_200011215066 [0,2,0,0,0,0|2,0,0]=4 8604 B12R0.2 CCCCC(C)NC(C)CC(C)C 270004a_100000692259_100000210087 [0,2,0,0,0,0|2,0,0]=4 8605 B12R0.2 CCCCC(C)OC(C)CC(C)C 34a_100000211805_200011215066 [0,2,0,0,0,0|2,0,0]=4 8606 B12R0.2 CCCCC(C)OC(C)CC(C)C 34a_100000687866_100000731052 [0,2,0,0,0,0|2,0,0]=4 8607 B12R0.2 CCCCC(C)OC(C)CC(C)C 7a_100000211805_200011215066 [0,2,0,0,0,0|2,0,0]=4 8608 B12R0.2 CCCCC(C)OC(C)CC(C)C 7a_100000687866_100000731052 [0,2,0,0,0,0|2,0,0]=4 8609 B12R0.2 CCCCC(C)SC(C)CC(C)C 62a_100000731052_200011215066 [0,2,0,0,0,0|2,0,0]=4 8610 B12R0.2 CCCCC(C)SC(C)CC(C)C 62a_200011215066_100000731052 [0,2,0,0,0,0|2,0,0]=4 8611 B12R0.2 CCOCC(C)OC(C)CC(C)C 34a_100000718985_100000731052 [0,2,0,0,0,0|2,0,0]=4 8612 B12R0.2 CCOCC(C)OC(C)CC(C)C 7a_100000718985_100000731052 [0,2,0,0,0,0|2,0,0]=4 8613 B12R0.2 CCSCC(C)NC(C)CC(C)C 270004a_100000692259_200011216171 [0,2,0,0,0,0|2,0,0]=4 8614 B12R0.2 COCCC(C)NC(C)CC(C)C 270004a_100000692259_100000742357 [0,2,0,0,0,0|1,0,0]=3 8615 B12R0.2 COCCN(C)CC(C)CN(C)C 2230a_100000743101_100015348159 [0,2,0,0,0,0|2,0,0]=4 8616 B12R0.2 COCCN(C)CC(C)CN(C)C 269982a_100000743101_100015348159 [0,2,0,0,0,0|2,0,0]=4 8617 B12R0.2 CSCCC(C)NC(C)CC(C)C 270004a_100000692259_100011217047 [0,2,0,0,0,0|1,1,0]=4 8618 B12R0.3 CC(C)CC(C)NC(C)CC(C)C 2230a_100000692259_100000731052 [0,2,0,0,0,0|2,0,0]=4 8619 B12R0.3 CC(C)CC(C)OC(C)CC(C)C 34a_100000211805_100000731052 [0,2,0,0,0,0|2,0,0]=4 8620 B12R0.3 CC(C)CC(C)OC(C)CC(C)C 7a_100000211805_100000731052 [0,2,0,0,0,0|2,0,0]=4 8621 B12R0.3 CC(C)CC(C)SC(C)CC(C)C 62a_100000731052_100000731052 [0,2,0,0,0,0|2,0,0]=4 8622 B12R0.3 CC(O)CN(C)CC(C)CN(C)C 2230a_100000227577_100015348159 [0,2,0,0,0,0|2,0,0]=4 8623 B12R0.3 CC(O)CN(C)CC(C)CN(C)C 269982a_100000227577_100015348159 [0,2,0,0,0,0|2,0,0]=4 8624 B12R0.18 C#CC(CC(C)C)OC(C)CCC 34a_100011215986_100000766640 [0,2,0,0,0,0|2,0,0]=4 8625 B12R0.18 C#CC(CC(C)C)OC(C)CCC 7a_100011215986_100000766640 [0,2,0,0,0,0|2,0,0]=4 8626 B12R0.18 C#CC(CC(C)C)OC(C)CCO 34a_100011215986_100009893172 [0,2,0,0,0,0|1,0,0]=3 8627 B12R0.18 C#CC(CC(C)C)OC(C)CCO 7a_100011215986_100009893172 [0,2,0,0,0,0|1,0,0]=3 8628 B12R0.18 C=CC(CC(C)C)OC(C)CCC 34a_100012186643_100000766640 [0,2,0,0,0,0|2,0,0]=4 8629 B12R0.18 C=CC(CC(C)C)OC(C)CCC 7a_100012186643_100000766640 [0,2,0,0,0,0|2,0,0]=4 8630 B12R0.18 C=CC(CC(C)C)OC(C)CCO 34a_100012186643_100009893172 [0,2,0,0,0,0|1,0,0]=3 8631 B12R0.18 C=CC(CC(C)C)OC(C)CCO 7a_100012186643_100009893172 [0,2,0,0,0,0|1,0,0]=3 8632 B12R0.18 CC(C)CC(C#N)NC(C)CCO 2230a_100000741378_100009893172 [0,2,0,0,0,0|1,0,0]=3 8633 B12R0.18 CC(C)CC(C#N)OC(C)CCO 34a_200011294978_100009893172 [0,2,0,0,0,0|1,0,0]=3 8634 B12R0.18 CC(C)CC(C#N)OC(C)CCO 7a_200011294978_100009893172 [0,2,0,0,0,0|1,0,0]=3 8635 B12R0.18 CC(C)C[C@@H](CO)NC(C)CCO 2230a_100011830311_100009893172 [0,2,0,0,0,0|1,0,0]=3 8636 B12R0.18 CC(C)C[C@@H](CO)NC(C)CCO 34a_100011830311_100009893172 [0,2,0,0,0,0|1,0,0]=3 8637 B12R0.18 CCCC(C)CN(CC)CC(C)C 2230a_100000738554_100011216630 [0,2,0,0,0,0|2,0,0]=4 8638 B12R0.18 CCCC(C)CN(CC)CC(C)C 269982a_100000738554_100011216630 [0,2,0,0,0,0|2,0,0]=4 8639 B12R0.18 CCCC(C)CN(CC)CC(C)C 270004a_100000738554_100000243154 [0,2,0,0,0,0|2,0,0]=4 8640 B12R0.18 CCCC(C)NC(C#N)CC(C)C 2230a_100000741378_100000766640 [0,2,0,0,0,0|2,0,0]=4 8641 B12R0.18 CCCC(C)NC(C#N)CC(C)C 270004a_100000741378_100000211909 [0,2,0,0,0,0|2,0,0]=4 8642 B12R0.18 CCCC(C)N[C@H](CO)CC(C)C 2230a_100011830311_100000766640 [0,2,0,0,0,0|2,0,0]=4 8643 B12R0.18 CCCC(C)N[C@H](CO)CC(C)C 270004a_100011830311_100000211909 [0,2,0,0,0,0|2,0,0]=4 8644 B12R0.18 CCCC(C)N[C@H](CO)CC(C)C 34a_100011830311_100000766640 [0,2,0,0,0,0|2,0,0]=4 8645 B12R0.18 CCCC(C)OC(C#N)CC(C)C 34a_200011294978_100000766640 [0,2,0,0,0,0|2,0,0]=4 8646 B12R0.18 CCCC(C)OC(C#N)CC(C)C 7a_200011294978_100000766640 [0,2,0,0,0,0|2,0,0]=4 8647 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 8648 B12R0.20 CC(C)C(C)C(=O)N[C@H](C)CCO 240690a_100000706166_100000755409 [0,2,0,0,0,0|1,0,1]=4 8649 B12R0.20 CC(C)C(C)C(=O)N[C@H](C)CCO 527a_100000706166_100000755409 [0,2,0,0,0,0|1,0,1]=4 8650 B12R0.20 CC(C)[C@@H](O)C(=O)N[C@H](C)CCO 240690a_100000706166_100000691806 [0,2,0,0,0,0|1,0,1]=4 8651 B12R0.20 CC(CCO)SC(C)C(=O)C(C)C 62a_100009893172_100009893295 [0,2,0,0,0,0|1,0,1]=4 8652 B12R0.20 CC(CCO)SC(C)C(=O)C(C)C 62a_100009893295_100009893172 [0,2,0,0,0,0|1,0,1]=4 8653 B12R0.20 CCCC(C)CC(=O)C(C)C(C)C 1458a_100000755409_100011216630 [0,2,0,0,0,0|1,0,1]=4 8654 B12R0.20 CCCC(C)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100011216630 [0,2,0,0,0,0|1,0,1]=4 8655 B12R0.20 CCCC(C)CN(C)C(C)C(C)C 2230a_100000228512_100011216630 [0,2,0,0,0,0|2,0,0]=4 8656 B12R0.20 CCCC(C)CN(C)C(C)C(C)C 269982a_100000228512_100011216630 [0,2,0,0,0,0|2,0,0]=4 8657 B12R0.20 CCCC(C)CN(C)C(C)C(C)C 270004a_100000228512_100000243154 [0,2,0,0,0,0|2,0,0]=4 8658 B12R0.68 CCC(C)CC(=O)N[C@H](C)CCO 240690a_100000706166_100000708755 [0,2,0,0,0,0|1,0,1]=4 8659 B12R0.68 CCC(C)CC(=O)N[C@H](C)CCO 527a_100000706166_100000708755 [0,2,0,0,0,0|1,0,1]=4 8660 B12R0.68 CCC(C)CC(C)NC(C)CCO 2230a_100000763565_100009893172 [0,2,0,0,0,0|1,0,0]=3 8661 B12R0.68 CCC(C)CC(C)N[C@H](C)CCO 270004a_100000706166_100011710205 [0,2,0,0,0,0|1,0,0]=3 8662 B12R0.68 CCCC(C)CC(=O)CC(C)CC 1458a_100000708755_100011216630 [0,2,0,0,0,0|1,0,1]=4 8663 B12R0.68 CCCC(C)CC(=O)CC(C)CC 1458a_100000748435_100000748023 [0,2,0,0,0,0|1,0,1]=4 8664 B12R0.68 CCCC(C)CC(=O)C[C@@H](C)CC 1458a_100000748435_100009816398 [0,2,0,0,0,0|1,0,1]=4 8665 B12R0.68 CCCC(C)CC(=O)C[C@@H](C)CO 1458a_100000748435_100000059175 [0,2,0,0,0,0|1,0,1]=4 8666 B12R0.68 CCCC(C)CN(C)CC(C)CC 2230a_100000753921_100011216630 [0,2,0,0,0,0|2,0,0]=4 8667 B12R0.68 CCCC(C)CN(C)CC(C)CC 269982a_100000753921_100011216630 [0,2,0,0,0,0|2,0,0]=4 8668 B12R0.68 CCCC(C)CN(C)CC(C)CC 270004a_100000753921_100000243154 [0,2,0,0,0,0|2,0,0]=4 8669 B12R0.68 CCCC(C)NC(C)CC(C)CC 2230a_100000763565_100000766640 [0,2,0,0,0,0|2,0,0]=4 8670 B12R0.68 CCCC(C)NC(C)CC(C)CC 270004a_100000741246_100011710205 [0,2,0,0,0,0|2,0,0]=4 8671 B12R0.68 CCCC(C)NC(C)CC(C)CC 270004a_100000763565_100000211909 [0,2,0,0,0,0|2,0,0]=4 8672 B12R0.78 CC(CC(=O)CCO)CC(C)(C)C 1458a_100000239893_100000211926 [0,2,0,0,0,0|1,0,1]=4 8673 B12R0.78 CC(CCO)N[C@@H](C)CC(C)(C)C 2230a_106358413534_100009893172 [0,2,0,0,0,0|1,0,0]=3 8674 B12R0.78 CC(CCO)OC(C)CC(C)(C)C 7a_200011218616_100009893172 [0,2,0,0,0,0|1,0,0]=3 8675 B12R0.78 CCCC(C)CC(=O)CC(C)(C)C 1458a_100000211214_100011216630 [0,2,0,0,0,0|1,0,1]=4 8676 B12R0.78 CCCC(C)CC(=O)CC(C)(C)O 1458a_100000693243_100011216630 [0,2,0,0,0,0|1,0,1]=4 8677 B12R0.78 CCCC(C)CN(C)CC(C)(C)C 2230a_100000742839_100011216630 [0,2,0,0,0,0|2,0,0]=4 8678 B12R0.78 CCCC(C)CN(C)CC(C)(C)C 269982a_100000742839_100011216630 [0,2,0,0,0,0|2,0,0]=4 8679 B12R0.78 CCCC(C)CN(C)CC(C)(C)C 270004a_100000742839_100000243154 [0,2,0,0,0,0|2,0,0]=4 8680 B12R0.78 CCCC(C)CN(C)CC(C)(C)O 2230a_100000755907_100011216630 [0,2,0,0,0,0|2,0,0]=4 8681 B12R0.78 CCCC(C)CN(C)CC(C)(C)O 269982a_100000755907_100011216630 [0,2,0,0,0,0|2,0,0]=4 8682 B12R0.78 CCCC(C)CN(C)CC(C)(C)O 270004a_100000755907_100000243154 [0,2,0,0,0,0|2,0,0]=4 8683 B12R0.78 CCCC(C)N[C@@H](C)CC(C)(C)C 2230a_106358413534_100000766640 [0,2,0,0,0,0|2,0,0]=4 8684 B12R0.78 CCCC(C)N[C@@H](C)CC(C)(C)C 270004a_106358413534_100000211909 [0,2,0,0,0,0|2,0,0]=4 8685 B12R0.78 CCCC(C)OC(C)CC(C)(C)C 7a_200011218616_100000766640 [0,2,0,0,0,0|2,0,0]=4 8686 B12R0.78 CN(CCO)CC(O)C[N+](C)(C)C 2230a_100000210263_100000032816 [0,2,0,0,0,0|2,0,0]=4 8687 B12R0.78 CN(CCO)CC(O)C[N+](C)(C)C 269982a_100000210263_100000032816 [0,2,0,0,0,0|2,0,0]=4 8688 B12R0.78 C[C@H](CCO)NC(=O)CC(C)(C)C 240690a_100000706166_100000211214 [0,2,0,0,0,0|1,0,1]=4 8689 B12R0.78 C[C@H](CCO)NC(=O)CC(C)(C)C 527a_100000706166_100000211214 [0,2,0,0,0,0|1,0,1]=4 8690 B12R0.78 C[C@H](CCO)NC(=O)CC(C)(C)O 527a_100000706166_100000693243 [0,2,0,0,0,0|1,0,1]=4 8691 B12R0.191 CC(C)CC(=O)N(C)C(C)CCO 240690a_100000731037_100000210554 [0,2,0,0,0,0|1,0,1]=4 8692 B12R0.191 CC(C)CC(=O)N(C)C(C)CCO 527a_100000731037_100000210554 [0,2,0,0,0,0|1,0,1]=4 8693 B12R0.191 CC(C)CC(C)N(C)C(C)CCO 2230a_100000731037_100000731052 [0,2,0,0,0,0|1,0,0]=3 8694 B12R0.191 CC(C)CC(C)N(C)C(C)CCO 2230a_100000745462_100009893172 [0,2,0,0,0,0|1,0,0]=3 8695 B12R0.191 CC(C)CC(C)N(C)C(C)CCO 269982a_100000731037_100000731052 [0,2,0,0,0,0|1,0,0]=3 8696 B12R0.191 CC(C)CC(C)N(C)C(C)CCO 269982a_100000745462_100009893172 [0,2,0,0,0,0|1,0,0]=3 8697 B12R0.191 CC(C)C[C@H](O)C(=O)C(C)CCO 1458a_100012027011_100009893172 [0,2,0,0,0,0|0,0,1]=3 8698 B12R0.191 CC(C)C[C@H](O)C(=O)N(C)CCO 240690a_100000210263_100012027011 [0,2,0,0,0,0|1,0,1]=4 8699 B12R0.191 CC(CCO)C(=O)C(C)CN(C)C 1458a_200015186601_100009893172 [0,2,0,0,0,0|1,0,1]=4 8700 B12R0.191 CC(CCO)N(C)C(C)CN(C)C 269982a_100000731037_100020606517 [0,2,0,0,0,0|2,0,0]=4 8701 B12R0.191 CCCC(C)C(=O)C(C)CC(C)C 1458a_100000210906_100000731052 [0,2,0,0,0,0|1,0,1]=4 8702 B12R0.191 CCCC(C)C(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000766640 [0,2,0,0,0,0|1,0,1]=4 8703 B12R0.191 CCCC(C)C(C)N(C)CC(C)C 270004a_100000747067_100011216282 [0,2,0,0,0,0|2,0,0]=4 8704 B12R0.191 CCCC(C)N(C)C(C)CC(C)C 2230a_100000745462_100000766640 [0,2,0,0,0,0|2,0,0]=4 8705 B12R0.191 CCCC(C)N(C)C(C)CC(C)C 269982a_100000745462_100000766640 [0,2,0,0,0,0|2,0,0]=4 8706 B12R0.191 CCCC(C)N(C)C(C)CC(C)C 270004a_100000745462_100000211909 [0,2,0,0,0,0|2,0,0]=4 8707 B12R0.297 CCCC(CC)NC(C)CC(C)C 2230a_100000747048_100000731052 [0,2,0,0,0,0|2,0,0]=4 8708 B12R0.297 CCCC(CC)NC(C)CC(C)C 270004a_100000692259_100000687865 [0,2,0,0,0,0|2,0,0]=4 8709 B12R0.297 CCCC(CC)OC(C)CC(C)C 34a_100000687864_100000731052 [0,2,0,0,0,0|2,0,0]=4 8710 B12R0.297 CCCC(CC)OC(C)CC(C)C 7a_100000211805_100011219200 [0,2,0,0,0,0|2,0,0]=4 8711 B12R0.297 CCCC(CC)OC(C)CC(C)C 7a_100000687864_100000731052 [0,2,0,0,0,0|2,0,0]=4 8712 B12R0.297 CCCC(CC)SC(C)CC(C)C 62a_100000731052_100011219200 [0,2,0,0,0,0|2,0,0]=4 8713 B12R0.297 CCCC(CC)SC(C)CC(C)C 62a_100011219200_100000731052 [0,2,0,0,0,0|2,0,0]=4 8714 B12R0.297 CCC[C@@H](CO)NC(C)CC(C)C 2230a_100000732646_100000731052 [0,2,0,0,0,0|2,0,0]=4 8715 B12R0.297 CCC[C@@H](CO)NC(C)CC(C)C 34a_100000732646_100000731052 [0,2,0,0,0,0|2,0,0]=4 8716 B12R0.297 CCN(CCO)CC(C)CN(C)C 2230a_100000210973_100015348159 [0,2,0,0,0,0|2,0,0]=4 8717 B12R0.297 CCN(CCO)CC(C)CN(C)C 269982a_100000210973_100015348159 [0,2,0,0,0,0|2,0,0]=4 8718 B12R0.428 CC(C)CC(=O)NC(C)(C)CCO 240690a_100000763138_100000210554 [0,2,0,0,0,0|1,0,1]=4 8719 B12R0.428 CC(C)CC(=O)NC(C)(C)CCO 527a_100000763138_100000210554 [0,2,0,0,0,0|1,0,1]=4 8720 B12R0.428 CC(C)CC(C)OC(C)(C)CCBr 7a_100000702414_100000731052 [0,2,0,0,0,0|2,0,0]=4 8721 B12R0.428 CC(C)CN(C)C[N+](C)(C)CCO 269982a_100000747067_200010270792 [0,2,0,0,0,0|2,0,0]=4 8722 B12R0.428 CCCC(C)(C)OC(C)CC(C)C 7a_100000748436_100000731052 [0,2,0,0,0,0|2,0,0]=4 8723 B12R0.428 CCCC(C)(O)CC(=O)CC(C)C 1458a_100011667670_100000210624 [0,2,0,0,0,0|1,0,1]=4 8724 B12R0.563 CC(CN(C)C)CN(C)C(C)CO 2230a_100000693034_100015348159 [0,2,0,0,0,0|2,0,0]=4 8725 B12R0.563 CC(CN(C)C)CN(C)C(C)CO 269982a_100000693034_100015348159 [0,2,0,0,0,0|2,0,0]=4 8726 B12R0.563 CCC(C)C(C)NC(C)CC(C)C 269862a_100000692259_100000210599 [0,2,0,0,0,0|2,0,0]=4 8727 B12R0.563 CCC(C)C(C)NC(C)CC(C)C 270004a_100000692259_100000210599 [0,2,0,0,0,0|2,0,0]=4 8728 B12R0.563 CCC(C)C(C)OC(C)CC(C)C 7a_100011215189_100000731052 [0,2,0,0,0,0|2,0,0]=4 8729 B12R0.744 CC(C)CC(C)(C)NC(C)CCO 2230a_100011346068_100009893172 [0,2,0,0,0,0|1,0,0]=3 8730 B12R0.744 CC(C)CS(=O)(=O)N[C@H](C)CCO 270084a_100000706166_100000748289 [0,2,0,0,0,0|2,0,0]=4 8731 B12R0.744 CC(C)CS(=O)(=O)N[C@H](C)CCO 274078a_100000706166_100000748289 [0,2,0,0,0,0|2,0,0]=4 8732 B12R0.744 CC(CCO)NC(C)(C)CN(C)C 2230a_100015183317_100009893172 [0,2,0,0,0,0|2,0,0]=4 8733 B12R0.744 CCCC(C)NC(C)(C)CC(C)C 2230a_100011346068_100000766640 [0,2,0,0,0,0|2,0,0]=4 8734 B12R0.744 CCCC(C)NC(C)(C)CC(C)C 270004a_100011346068_100000211909 [0,2,0,0,0,0|2,0,0]=4 8735 B12R0.66 CC(C)CC(C)NCCC(C)(C)C 2230a_100000692259_100000755188 [0,2,0,0,0,0|2,0,0]=4 8736 B12R0.66 CC(C)CC(C)NCCC(C)(C)C 2230a_100000738805_100000731052 [0,2,0,0,0,0|2,0,0]=4 8737 B12R0.66 CC(C)CC(C)NCCC(C)(C)F 2230a_100016253952_100000731052 [0,2,0,0,0,0|2,0,0]=4 8738 B12R0.66 CC(C)CC(C)NCCC(C)(C)O 2230a_100000692259_100000702414 [0,2,0,0,0,0|2,0,0]=4 8739 B12R0.66 CC(C)CC(C)OCCC(C)(C)C 34a_100000211805_100000755188 [0,2,0,0,0,0|2,0,0]=4 8740 B12R0.66 CC(C)CC(C)OCCC(C)(C)C 7a_100000211805_100000755188 [0,2,0,0,0,0|2,0,0]=4 8741 B12R0.66 CC(C)CC(C)OCCC(C)(C)C 7a_100000765024_100000731052 [0,2,0,0,0,0|2,0,0]=4 8742 B12R0.66 CC(C)CC(C)OCCC(C)(C)O 34a_100000211805_100000702414 [0,2,0,0,0,0|2,0,0]=4 8743 B12R0.66 CC(C)CC(C)OCCC(C)(C)O 7a_100000211805_100000702414 [0,2,0,0,0,0|2,0,0]=4 8744 B12R0.66 CC(C)CC(C)SCCC(C)(C)C 62a_100000731052_100000755188 [0,2,0,0,0,0|2,0,0]=4 8745 B12R0.66 CC(C)CC(C)SCCC(C)(C)C 62a_100000755188_100000731052 [0,2,0,0,0,0|2,0,0]=4 8746 B12R0.66 CC(C)CC(C)SCCC(C)(C)O 62a_100000702414_100000731052 [0,2,0,0,0,0|2,0,0]=4 8747 B12R0.66 CC(C)CC(C)SCCC(C)(C)O 62a_100000731052_100000702414 [0,2,0,0,0,0|2,0,0]=4 8748 B12R0.66 CC(C)CN(C)CCCC(C)(C)O 2230a_100000747067_100009888830 [0,2,0,0,0,0|2,0,0]=4 8749 B12R0.66 CC(C)CN(C)CCCC(C)(C)O 269982a_100000747067_100009888830 [0,2,0,0,0,0|2,0,0]=4 8750 B12R0.66 CC(O)CN(C)CCCC(C)(C)O 2230a_100000227577_100009888830 [0,2,0,0,0,0|1,0,0]=3 8751 B12R0.66 CC(O)CN(C)CCCC(C)(C)O 269982a_100000227577_100009888830 [0,2,0,0,0,0|1,0,0]=3 8752 B12R0.66 CC(O)CN(C)CCC[N+](C)(C)C 2230a_100000227577_100016990835 [0,2,0,0,0,0|2,0,0]=4 8753 B12R0.66 CC(O)CN(C)CCC[N+](C)(C)C 269982a_100000227577_100016990835 [0,2,0,0,0,0|2,0,0]=4 8754 B12R0.66 CC(O)CN(C)CCC[Si](C)(C)C 2230a_100000227577_100011219597 [0,2,0,0,0,0|1,1,0]=4 8755 B12R0.66 CC(O)CN(C)CCC[Si](C)(C)C 269982a_100000227577_100011219597 [0,2,0,0,0,0|1,1,0]=4 8756 B12R0.66 CC(O)CN(C)CCOC(C)(C)C 2230a_100000690421_100011218427 [0,2,0,0,0,0|2,0,0]=4 8757 B12R0.66 CC(O)CN(C)CCOC(C)(C)C 269982a_100000690421_100011218427 [0,2,0,0,0,0|2,0,0]=4 8758 B12R0.66 CN(CCCC(C)(C)O)CC(=O)O 269956a_100000746989_100009888830 [0,2,0,0,0,0|1,0,1]=4 8759 B12R0.66 C[C@@H](O)CN(C)CCOC(C)(C)C 2230a_100000690421_100009817552 [0,2,0,0,0,0|2,0,0]=4 8760 B12R0.66 C[C@@H](O)CN(C)CCOC(C)(C)C 269982a_100000690421_100009817552 [0,2,0,0,0,0|2,0,0]=4 8761 B12R0.140 CC(C)CCCC(=O)CC(C)(C)O 1458a_100000693243_100011214892 [0,2,0,0,0,0|1,0,1]=4 8762 B12R0.140 CC(C)CCCC(C)OC(C)(C)C 34a_200011218570_100000210625 [0,2,0,0,0,0|2,0,0]=4 8763 B12R0.140 CC(C)CCCC(C)OC(F)(F)F 34a_200011218570_200103152311 [0,2,0,0,0,0|2,0,0]=4 8764 B12R0.140 CC(C)CCCC(C)OC(F)(F)F 7a_200011218570_200000243211 [0,2,0,0,0,0|2,0,0]=4 8765 B12R0.140 CC(C)CCCN(C)CC(C)(C)C 2230a_100000742839_100011214892 [0,2,0,0,0,0|2,0,0]=4 8766 B12R0.140 CC(C)CCCN(C)CC(C)(C)C 269982a_100000742839_100011214892 [0,2,0,0,0,0|2,0,0]=4 8767 B12R0.140 CC(C)CCCN(C)CC(C)(C)O 2230a_100000755907_100011214892 [0,2,0,0,0,0|1,0,0]=3 8768 B12R0.140 CC(C)CCCN(C)CC(C)(C)O 269982a_100000755907_100011214892 [0,2,0,0,0,0|1,0,0]=3 8769 B12R0.140 CC(C)CCCN(C)CC(F)(F)F 2230a_100000738877_100011214892 [0,2,0,0,0,0|2,0,0]=4 8770 B12R0.140 CC(C)CCN[C@@H](C)CC(C)(C)C 2230a_106358413534_100000210312 [0,2,0,0,0,0|2,0,0]=4 8771 B12R0.140 CC(C)CCN[C@@H](C)CC(C)(C)C 269862a_106358413534_100000185833 [0,2,0,0,0,0|2,0,0]=4 8772 B12R0.140 CC(C)CCOC(C)CC(C)(C)C 7a_200011218616_100000210626 [0,2,0,0,0,0|2,0,0]=4 8773 B12R0.140 CC(C)CCOC(C)CC(F)(F)F 34a_100000210254_200000065471 [0,2,0,0,0,0|2,0,0]=4 8774 B12R0.140 CC(C)CCOC(C)CC(F)(F)F 34a_200011470763_100000210312 [0,2,0,0,0,0|2,0,0]=4 8775 B12R0.140 CC(C)CCOC(C)CC(F)(F)F 7a_100000210254_200000065471 [0,2,0,0,0,0|2,0,0]=4 8776 B12R0.140 CC(C)CCOC(C)CC(F)(F)F 7a_200011470763_100000210626 [0,2,0,0,0,0|2,0,0]=4 8777 B12R0.140 CC(C)CCSC(C)CC(F)(F)F 62a_100000210312_200000065471 [0,2,0,0,0,0|2,0,0]=4 8778 B12R0.140 CC(C)CCSC(C)CC(F)(F)F 62a_200000065471_100000210312 [0,2,0,0,0,0|2,0,0]=4 8779 B12R0.140 CC(C)CNCC(C)CC(F)(F)F 2230a_100000210953_100009814340 [0,2,0,0,0,0|2,0,0]=4 8780 B12R0.140 CC(C)CNCC(C)CC(F)(F)F 34a_100000210953_100009814340 [0,2,0,0,0,0|2,0,0]=4 8781 B12R0.140 CC(C)COCC(C)CC(C)(C)C 7a_200011215325_100000210760 [0,2,0,0,0,0|2,0,0]=4 8782 B12R0.140 CC(C)COCC(C)CC(F)(F)F 34a_100000034823_100000210624 [0,2,0,0,0,0|2,0,0]=4 8783 B12R0.140 CC(C)COCC(C)CC(F)(F)F 34a_100000210257_100009814340 [0,2,0,0,0,0|2,0,0]=4 8784 B12R0.140 CC(C)COCC(C)CC(F)(F)F 7a_100000034823_100000210760 [0,2,0,0,0,0|2,0,0]=4 8785 B12R0.140 CC(C)CSCC(C)CC(F)(F)F 62a_100000210624_100009814340 [0,2,0,0,0,0|2,0,0]=4 8786 B12R0.140 CC(C)CSCC(C)CC(F)(F)F 62a_100009814340_100000210760 [0,2,0,0,0,0|2,0,0]=4 8787 B12R0.140 CC(C)OCCN(C)CC(C)(C)O 2230a_100000755907_100000211751 [0,2,0,0,0,0|2,0,0]=4 8788 B12R0.140 CC(C)OCCN(C)CC(C)(C)O 269982a_100000755907_100000211751 [0,2,0,0,0,0|2,0,0]=4 8789 B12R0.140 CC(C)SCCN(C)CC(C)(C)O 2230a_100000755907_100000730970 [0,2,0,0,0,0|2,0,0]=4 8790 B12R0.140 CC(C)SCCN(C)CC(C)(C)O 269982a_100000755907_100000730970 [0,2,0,0,0,0|2,0,0]=4 8791 B12R0.140 CC(CCOC(C)C)CC(C)(C)C 7a_200011215431_100000210206 [0,2,0,0,0,0|2,0,0]=4 8792 B12R0.140 CC(O)CCCN(C)CC(C)(C)O 2230a_100000755907_200000718107 [0,2,0,0,0,0|2,0,0]=4 8793 B12R0.140 CC(O)CCCN(C)CC(C)(C)O 269982a_100000755907_200000718107 [0,2,0,0,0,0|2,0,0]=4 8794 B12R0.140 CN(C)CCCN(C)CC(C)(C)O 269982a_100000755907_100000757444 [0,2,0,0,0,0|2,0,0]=4 8795 B12R0.240 C#CC(C)NC(C)CCCC(C)C 270004a_100000707721_100000753411 [0,2,0,0,0,0|1,0,1]=4 8796 B12R0.240 C#CC(C)OC(C)CCCC(C)C 34a_200011218570_200000035995 [0,2,0,0,0,0|1,0,1]=4 8797 B12R0.240 CC(=CCCC(C)N[C@H](C)CO)C 270004a_100000737577_100000765506 [0,2,0,0,0,0|0,0,2]=4 8798 B12R0.240 CC(=CCCC(C)OC(C)CO)C 34a_100102619829_100012180447 [0,2,0,0,0,0|0,0,2]=4 8799 B12R0.240 CC(=CCCC(C)OC(C)CO)C 7a_100102619829_100012180447 [0,2,0,0,0,0|0,0,2]=4 8800 B12R0.240 CC(C)CCCC(=O)C[C@@H](C)CO 1458a_100011216857_100000059175 [0,2,0,0,0,0|1,0,1]=4 8801 B12R0.240 CC(C)CCCC(=O)N[C@H](C)CO 240690a_100000737577_100011216857 [0,2,0,0,0,0|1,0,1]=4 8802 B12R0.240 CC(C)CCCC(=O)N[C@H](C)CO 527a_100000737577_100011216857 [0,2,0,0,0,0|1,0,1]=4 8803 B12R0.240 CC(C)CCCC(C)NC(=O)CO 240690a_100000210607_100000210174 [0,2,0,0,0,0|0,0,1]=3 8804 B12R0.240 CC(C)CCCC(C)NC(=O)CO 527a_100000210607_100000210174 [0,2,0,0,0,0|0,0,1]=3 8805 B12R0.240 CC(C)CCCC(C)NC(C)C#N 2230a_100000210607_100000184139 [0,2,0,0,0,0|1,0,1]=4 8806 B12R0.240 CC(C)CCCC(C)NC(C)CO 2230a_100000210607_100012180447 [0,2,0,0,0,0|0,0,0]=2 8807 B12R0.240 CC(C)CCCC(C)N[C@H](C)CF 270004a_100102880703_100000753411 [0,2,0,0,0,0|1,0,0]=3 8808 B12R0.240 CC(C)CCCC(C)N[C@H](C)CO 270004a_100000737577_100000753411 [0,2,0,0,0,0|0,0,0]=2 8809 B12R0.240 CC(C)CCCC(C)OC(C)C#N 7a_200011218570_100000703298 [0,2,0,0,0,0|1,0,1]=4 8810 B12R0.240 CC(C)CCCC(C)OC(C)CO 34a_200011218570_100012180447 [0,2,0,0,0,0|0,0,0]=2 8811 B12R0.240 CC(C)CCCC(C)OC(C)CO 7a_200011218570_100012180447 [0,2,0,0,0,0|0,0,0]=2 8812 B12R0.240 CC(C)CCCN(C)CC(O)CO 2230a_100011216503_100011214892 [0,2,0,0,0,0|1,0,0]=3 8813 B12R0.240 CC(C)CCCN(C)CC(O)CO 269982a_100011216503_100011214892 [0,2,0,0,0,0|1,0,0]=3 8814 B12R0.240 CC(C)OCCN(C)CC(O)CO 2230a_100011216503_100000211751 [0,2,0,0,0,0|2,0,0]=4 8815 B12R0.240 CC(C)OCCN(C)CC(O)CO 269982a_100011216503_100000211751 [0,2,0,0,0,0|2,0,0]=4 8816 B12R0.240 CC(C)SCCN(C)CC(O)CO 2230a_100011216503_100000730970 [0,2,0,0,0,0|2,0,0]=4 8817 B12R0.240 CC(C)SCCN(C)CC(O)CO 269982a_100011216503_100000730970 [0,2,0,0,0,0|2,0,0]=4 8818 B12R0.240 CC(CCOC(C)C)N[C@H](C)CF 270004a_100102880703_200011219172 [0,2,0,0,0,0|2,0,0]=4 8819 B12R0.240 CC(CCOC(C)C)N[C@H](C)CO 270004a_100000737577_200011219172 [0,2,0,0,0,0|1,0,0]=3 8820 B12R0.240 CC(O)CCCN(C)CC(O)CO 2230a_100011216503_200000718107 [0,2,0,0,0,0|2,0,0]=4 8821 B12R0.240 CC(O)CCCN(C)CC(O)CO 269982a_100011216503_200000718107 [0,2,0,0,0,0|2,0,0]=4 8822 B12R0.240 CCC(=O)NC(C)CCCC(C)C 11a_100000210607_100000210414 [0,2,0,0,0,0|1,0,1]=4 8823 B12R0.240 CCC(=O)NC(C)CCCC(C)C 1626a_100000210607_100000210414 [0,2,0,0,0,0|1,0,1]=4 8824 B12R0.240 CCC(=O)NC(C)CCCC(C)C 240690a_100000210607_100000210414 [0,2,0,0,0,0|1,0,1]=4 8825 B12R0.240 CCC(=O)NC(C)CCCC(C)C 527a_100000210607_100000210414 [0,2,0,0,0,0|1,0,1]=4 8826 B12R0.240 CCC(C)CC(C)NCCC(C)C 2230a_100000763565_100000210312 [0,2,0,0,0,0|2,0,0]=4 8827 B12R0.240 CCC(C)CC(C)NCCC(C)C 269862a_100000763565_100000185833 [0,2,0,0,0,0|2,0,0]=4 8828 B12R0.240 CCC(C)CC(C)NCCC(C)C 270004a_100000210545_100011710205 [0,2,0,0,0,0|2,0,0]=4 8829 B12R0.240 CCC(C)CN(C)CCCC(C)C 2230a_100000753921_100011214892 [0,2,0,0,0,0|2,0,0]=4 8830 B12R0.240 CCC(C)CN(C)CCCC(C)C 269982a_100000753921_100011214892 [0,2,0,0,0,0|2,0,0]=4 8831 B12R0.240 CCC(C)NC(C)CCCC(C)C 2230a_100000210607_100000758301 [0,2,0,0,0,0|1,0,0]=3 8832 B12R0.240 CCC(C)NC(C)CCCC(C)C 270004a_100000209981_100000753411 [0,2,0,0,0,0|1,0,0]=3 8833 B12R0.240 CCC(C)NC(C)CCOC(C)C 270004a_100000209981_200011219172 [0,2,0,0,0,0|2,0,0]=4 8834 B12R0.240 CCC(C)OC(C)CCCC(C)C 34a_200011218570_100011215416 [0,2,0,0,0,0|1,0,0]=3 8835 B12R0.240 CCC(C)OC(C)CCCC(C)C 7a_200011218570_100000758301 [0,2,0,0,0,0|1,0,0]=3 8836 B12R0.240 CCC(O)CC(=O)CCCC(C)C 1458a_100011216857_100011218378 [0,2,0,0,0,0|1,0,1]=4 8837 B12R0.240 CCC(O)CC(=O)CCCC(C)C 1458a_100011667805_100011214892 [0,2,0,0,0,0|1,0,1]=4 8838 B12R0.240 CCC(O)CN(C)CCCN(C)C 269982a_100000225831_100011218378 [0,2,0,0,0,0|2,0,0]=4 8839 B12R0.240 CCN(C)CC(C)CNCC(C)C 270004a_100011281616_100000210432 [0,2,0,0,0,0|2,0,0]=4 8840 B12R0.240 CN(C)CCCN(C)CC(O)CO 269982a_100011216503_100000757444 [0,2,0,0,0,0|2,0,0]=4 8841 B12R0.240 COC(=O)CC(C)OCCC(C)C 34a_100000210254_100009817358 [0,2,0,0,0,0|1,0,1]=4 8842 B12R0.240 COC(=O)CC(C)OCCC(C)C 7a_100000210254_100009817358 [0,2,0,0,0,0|1,0,1]=4 8843 B12R0.240 COC(=O)CC(C)SCCC(C)C 62a_100000210312_100009817358 [0,2,0,0,0,0|1,0,1]=4 8844 B12R0.240 COC(=O)CC(C)SCCC(C)C 62a_100009817358_100000210312 [0,2,0,0,0,0|1,0,1]=4 8845 B12R0.240 COC(=O)CN(C)CCCC(C)C 2230a_100000198492_100011214892 [0,2,0,0,0,0|1,0,1]=4 8846 B12R0.240 C[C@@H](CO)CN(C)CCCN(C)C 269982a_100000225831_100000059175 [0,2,0,0,0,0|2,0,0]=4 8847 B12R0.241 CC(C)CC(C)NCCC(C)CO 2230a_106354213184_100000731052 [0,2,0,0,0,0|2,0,0]=4 8848 B12R0.241 CC(C)CC(C)NCCC(C)CO 34a_106354213184_100000731052 [0,2,0,0,0,0|2,0,0]=4 8849 B12R0.241 CCC(C)CCNC(C)CC(C)C 2230a_100020591266_100000731052 [0,2,0,0,0,0|2,0,0]=4 8850 B12R0.241 CCC(C)CCOC(C)CC(C)C 7a_100011215188_100000731052 [0,2,0,0,0,0|2,0,0]=4 8851 B12R0.241 CCN(C)CCCN(C)CC(C)O 2230a_100000227577_100015186262 [0,2,0,0,0,0|2,0,0]=4 8852 B12R0.241 CCN(C)CCCN(C)CC(C)O 269982a_100000227577_100015186262 [0,2,0,0,0,0|2,0,0]=4 8853 B12R0.241 COC(C)CCOC(C)CC(C)C 7a_100000764861_100000731052 [0,2,0,0,0,0|2,0,0]=4 8854 B12R0.258 CC(C)CCC(=O)C(C)CC(C)C 1458a_100000181311_100000731052 [0,2,0,0,0,0|1,0,1]=4 8855 B12R0.258 CC(C)CCC(=O)N(C)CC(C)O 240690a_100000227577_100000181311 [0,2,0,0,0,0|1,0,1]=4 8856 B12R0.258 CC(C)CCC(=O)N(C)CC(C)O 527a_100000227577_100000181311 [0,2,0,0,0,0|1,0,1]=4 8857 B12R0.258 CC(C)CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100011261404 [0,2,0,0,0,0|1,0,1]=4 8858 B12R0.258 CC(C)CCC(C)N(C)CC(=O)O 269956a_100000746989_100011261404 [0,2,0,0,0,0|1,0,1]=4 8859 B12R0.258 CC(C)CCC(C)N(C)CC(C)C 2230a_100000747067_100011261404 [0,2,0,0,0,0|2,0,0]=4 8860 B12R0.258 CC(C)CCC(C)N(C)CC(C)C 269982a_100000747067_100011261404 [0,2,0,0,0,0|2,0,0]=4 8861 B12R0.258 CC(C)CCC(C)N(C)CC(C)C 270004a_100000747067_100000210476 [0,2,0,0,0,0|2,0,0]=4 8862 B12R0.258 CC(C)CCC(C)N(C)CC(C)O 2230a_100000227577_100011261404 [0,2,0,0,0,0|1,0,0]=3 8863 B12R0.258 CC(C)CCC(C)N(C)CC(C)O 269982a_100000227577_100011261404 [0,2,0,0,0,0|1,0,0]=3 8864 B12R0.258 CC(C)CCC(C)N(C)CC(C)O 270004a_100000227577_100000210476 [0,2,0,0,0,0|1,0,0]=3 8865 B12R0.258 CC(C)CCN(C)C(C)CC(C)C 2230a_100000742789_100000731052 [0,2,0,0,0,0|2,0,0]=4 8866 B12R0.258 CC(C)CCN(C)C(C)CC(C)C 2230a_100000745462_100000210312 [0,2,0,0,0,0|2,0,0]=4 8867 B12R0.258 CC(C)CCN(C)C(C)CC(C)C 269982a_100000742789_100000731052 [0,2,0,0,0,0|2,0,0]=4 8868 B12R0.258 CC(C)CCN(C)C(C)CC(C)C 269982a_100000745462_100000210312 [0,2,0,0,0,0|2,0,0]=4 8869 B12R0.535 CC(C)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210312 [0,2,0,0,0,0|1,0,1]=4 8870 B12R0.535 CC(C)CCN[C@H](CO)CC(C)C 2230a_100011830311_100000210312 [0,2,0,0,0,0|2,0,0]=4 8871 B12R0.535 CC(C)CCN[C@H](CO)CC(C)C 269862a_100011830311_100000185833 [0,2,0,0,0,0|2,0,0]=4 8872 B12R0.535 CC(C)CCN[C@H](CO)CC(C)C 34a_100011830311_100000210312 [0,2,0,0,0,0|2,0,0]=4 8873 B12R0.535 CC(C)CNCC(CO)CC(C)C 270004a_200000723437_100000210432 [0,2,0,0,0,0|2,0,0]=4 8874 B12R0.535 CC(C)CNCC(CO)CC(C)C 34a_200000723437_100000210624 [0,2,0,0,0,0|2,0,0]=4 8875 B12R0.535 CC(C)COCC(CN)CC(C)C 34a_200000723437_100000210624 [0,2,0,0,0,0|2,0,0]=4 8876 B12R0.535 CCC(COCC(C)C)CC(C)C 34a_100012186708_100000210624 [0,2,0,0,0,0|2,0,0]=4 8877 B12R0.535 CCC(COCC(C)C)CC(C)C 7a_100012186708_100000210760 [0,2,0,0,0,0|2,0,0]=4 8878 B12R0.535 CCN(CCCC(C)C)CC(=O)O 269956a_100000746405_100011214892 [0,2,0,0,0,0|1,0,1]=4 8879 B12R0.535 CCN(CCCC(C)C)CC(C)C 2230a_100000738554_100011214892 [0,2,0,0,0,0|2,0,0]=4 8880 B12R0.535 CCN(CCCC(C)C)CC(C)C 269982a_100000738554_100011214892 [0,2,0,0,0,0|2,0,0]=4 8881 B12R0.535 CCN(CCCC(C)C)C[C@H](C)O 2230a_100000729506_100011214892 [0,2,0,0,0,0|1,0,0]=3 8882 B12R0.535 CCN(CCCC(C)C)C[C@H](C)O 269982a_100000729506_100011214892 [0,2,0,0,0,0|1,0,0]=3 8883 B12R0.535 CCN(CCCC(C)O)C[C@H](C)O 2230a_100000729506_200000718107 [0,2,0,0,0,0|2,0,0]=4 8884 B12R0.535 CCN(CCCC(C)O)C[C@H](C)O 269982a_100000729506_200000718107 [0,2,0,0,0,0|2,0,0]=4 8885 B12R0.535 CCN(CCCN(C)C)CC(C)O 269982a_100000225837_100011218427 [0,2,0,0,0,0|2,0,0]=4 8886 B12R0.535 CCN(CCCN(C)C)C[C@@H](C)O 269982a_100000225837_100009817552 [0,2,0,0,0,0|2,0,0]=4 8887 B12R0.535 CCN(CCCN(C)C)C[C@H](C)O 269982a_100000729506_100000757444 [0,2,0,0,0,0|2,0,0]=4 8888 B12R0.535 CCN(CCOC(C)C)C[C@H](C)O 2230a_100000729506_100000211751 [0,2,0,0,0,0|2,0,0]=4 8889 B12R0.535 CCN(CCOC(C)C)C[C@H](C)O 269982a_100000729506_100000211751 [0,2,0,0,0,0|2,0,0]=4 8890 B12R0.535 CCN(CCSC(C)C)C[C@H](C)O 2230a_100000729506_100000730970 [0,2,0,0,0,0|2,0,0]=4 8891 B12R0.535 CCN(CCSC(C)C)C[C@H](C)O 269982a_100000729506_100000730970 [0,2,0,0,0,0|2,0,0]=4 8892 B12R0.535 CC[C@H](CC(=O)O)NCCC(C)C 269956a_100016995926_100000210312 [0,2,0,0,0,0|1,0,1]=4 8893 B12R0.686 CC(C)CCCC(C)N(C)C(C)C 270004a_200000211004_100000753411 [0,2,0,0,0,0|2,0,0]=4 8894 B12R0.686 CC(C)CCCN(C)C(C)C(=O)O 269956a_100000749554_100011214892 [0,2,0,0,0,0|1,0,1]=4 8895 B12R0.686 CC(C)CCCN(C)C(C)C(C)C 2230a_100000228512_100011214892 [0,2,0,0,0,0|2,0,0]=4 8896 B12R0.686 CC(C)CCCN(C)C(C)C(C)C 269982a_100000228512_100011214892 [0,2,0,0,0,0|2,0,0]=4 8897 B12R0.687 CC(C)CC(C)NCC(O)C(C)C 2230a_100000759067_100000731052 [0,2,0,0,0,0|2,0,0]=4 8898 B12R0.687 CC(C)CC(C)NCC(O)C(C)C 34a_100000759067_100000731052 [0,2,0,0,0,0|2,0,0]=4 8899 B12R0.687 CC(C)CC(C)OC[C@H](N)C(C)C 34a_100011830312_100000731052 [0,2,0,0,0,0|2,0,0]=4 8900 B12R0.697 CC(C)CCCC(C)(C)OC(C)C 7a_100011215742_100000210206 [0,2,0,0,0,0|2,0,0]=4 8901 B12R0.697 CC(C)CCNC(C)(C)CC(=O)O 269956a_100000755897_100000210312 [0,2,0,0,0,0|1,0,1]=4 8902 B12R0.697 CC(C)CCNC(C)(C)CC(C)C 2230a_100011346068_100000210312 [0,2,0,0,0,0|2,0,0]=4 8903 B12R0.30 CCCC(CC)C(=O)CCC(C)C 1458a_100000181311_100011219200 [0,2,0,0,0,0|1,0,1]=4 8904 B12R0.30 CCCC(CC)C(=O)CCC(C)C 1458a_100011416436_100000210312 [0,2,0,0,0,0|1,0,1]=4 8905 B12R0.30 CCCC(CC)N(C)CCC(C)C 269982a_100000742789_100011219200 [0,2,0,0,0,0|2,0,0]=4 8906 B12R0.30 CCCC(CC)N(C)CCC(C)C 270004a_100000742789_100000687865 [0,2,0,0,0,0|2,0,0]=4 8907 B12R0.30 CCCN(CC)C(C)CCC(C)C 2230a_100000226822_100011261404 [0,2,0,0,0,0|2,0,0]=4 8908 B12R0.30 CCCN(CC)C(C)CCC(C)C 269982a_100000226822_100011261404 [0,2,0,0,0,0|2,0,0]=4 8909 B12R0.30 CCCN(CC)C(C)CCC(C)C 270004a_100000226822_100000210476 [0,2,0,0,0,0|2,0,0]=4 8910 B12R0.30 CCN(CCO)C(=O)CCC(C)C 240690a_100000210973_100000181311 [0,2,0,0,0,0|1,0,1]=4 8911 B12R0.30 CCN(CCO)C(=O)CCC(C)C 527a_100000210973_100000181311 [0,2,0,0,0,0|1,0,1]=4 8912 B12R0.30 CCN(CCO)C(C)CCC(C)C 2230a_100000210973_100011261404 [0,2,0,0,0,0|1,0,0]=3 8913 B12R0.30 CCN(CCO)C(C)CCC(C)C 269982a_100000210973_100011261404 [0,2,0,0,0,0|1,0,0]=3 8914 B12R0.30 CCN(CCO)C(C)CCC(C)C 270004a_100000210973_100000210476 [0,2,0,0,0,0|1,0,0]=3 8915 B12R0.164 C/C=C/C(CCC)OCCC(C)C 34a_200016264281_100000210312 [0,2,0,0,0,0|2,0,0]=4 8916 B12R0.164 C/C=C/C(CCC)OCCC(C)C 7a_200016264281_100000210626 [0,2,0,0,0,0|2,0,0]=4 8917 B12R0.164 C=CCC(CCC)OCCC(C)C 34a_100011215139_100000210312 [0,2,0,0,0,0|2,0,0]=4 8918 B12R0.164 C=CCC(CCC)OCCC(C)C 7a_100011215139_100000210626 [0,2,0,0,0,0|2,0,0]=4 8919 B12R0.164 CC(C)CCCN(CCO)CCO 2230a_100000210587_100011214892 [0,2,0,0,0,0|1,0,0]=3 8920 B12R0.164 CC(C)CCCN(CCO)CCO 269982a_100000210587_100011214892 [0,2,0,0,0,0|1,0,0]=3 8921 B12R0.164 CC(C)OCCN(CCO)CCO 2230a_100000210587_100000211751 [0,2,0,0,0,0|2,0,0]=4 8922 B12R0.164 CC(C)OCCN(CCO)CCO 269982a_100000210587_100000211751 [0,2,0,0,0,0|2,0,0]=4 8923 B12R0.164 CC(C)SCCN(CCO)CCO 2230a_100000210587_100000730970 [0,2,0,0,0,0|2,0,0]=4 8924 B12R0.164 CC(C)SCCN(CCO)CCO 269982a_100000210587_100000730970 [0,2,0,0,0,0|2,0,0]=4 8925 B12R0.164 CC(O)CCCN(CCO)CCO 2230a_100000210587_200000718107 [0,2,0,0,0,0|2,0,0]=4 8926 B12R0.164 CC(O)CCCN(CCO)CCO 269982a_100000210587_200000718107 [0,2,0,0,0,0|2,0,0]=4 8927 B12R0.164 CCCC(CCC)COCC(C)C 34a_200011215456_100000210624 [0,2,0,0,0,0|2,0,0]=4 8928 B12R0.164 CCCC(CCC)COCC(C)C 7a_200011215456_100000210760 [0,2,0,0,0,0|2,0,0]=4 8929 B12R0.164 CCCC(CCC)NCCC(C)C 2230a_100011207992_100000210312 [0,2,0,0,0,0|2,0,0]=4 8930 B12R0.164 CCCC(CCC)NCCC(C)C 269862a_100011207992_100000185833 [0,2,0,0,0,0|2,0,0]=4 8931 B12R0.164 CCCC(CCC)NCCC(C)C 270004a_100000210545_100000210088 [0,2,0,0,0,0|2,0,0]=4 8932 B12R0.164 CCCC(CCC)NCCC(C)C 34a_100011207992_100000210312 [0,2,0,0,0,0|2,0,0]=4 8933 B12R0.164 CCCC(CCC)OCCC(C)C 34a_100000210254_200011218217 [0,2,0,0,0,0|2,0,0]=4 8934 B12R0.164 CCCC(CCC)OCCC(C)C 34a_200011218534_100000210312 [0,2,0,0,0,0|2,0,0]=4 8935 B12R0.164 CCCC(CCC)OCCC(C)C 7a_100000210254_200011218217 [0,2,0,0,0,0|2,0,0]=4 8936 B12R0.164 CCCC(CCC)OCCC(C)C 7a_200011218534_100000210626 [0,2,0,0,0,0|2,0,0]=4 8937 B12R0.164 CCCC(CCC)SCCC(C)C 62a_100000210312_200011218217 [0,2,0,0,0,0|2,0,0]=4 8938 B12R0.164 CCCC(CCC)SCCC(C)C 62a_200011218217_100000210312 [0,2,0,0,0,0|2,0,0]=4 8939 B12R0.164 CCCN(CCC)CCCC(C)C 2230a_100000210455_100011214892 [0,2,0,0,0,0|2,0,0]=4 8940 B12R0.164 CCCN(CCC)CCCC(C)C 269982a_100000210455_100011214892 [0,2,0,0,0,0|2,0,0]=4 8941 B12R0.164 CCCN(CCO)CCCC(C)C 2230a_100000211420_100011214892 [0,2,0,0,0,0|1,0,0]=3 8942 B12R0.164 CCCN(CCO)CCCC(C)C 269982a_100000211420_100011214892 [0,2,0,0,0,0|1,0,0]=3 8943 B12R0.164 CCCN(CCO)CCCC(C)O 2230a_100000211420_200000718107 [0,2,0,0,0,0|2,0,0]=4 8944 B12R0.164 CCCN(CCO)CCCC(C)O 269982a_100000211420_200000718107 [0,2,0,0,0,0|2,0,0]=4 8945 B12R0.164 CCCN(CCO)CCCN(C)C 269982a_100000211420_100000757444 [0,2,0,0,0,0|2,0,0]=4 8946 B12R0.164 CCCN(CCO)CCCN(C)C 269982a_100000717312_100000211926 [0,2,0,0,0,0|2,0,0]=4 8947 B12R0.164 CCCN(CCO)CCOC(C)C 2230a_100000211420_100000211751 [0,2,0,0,0,0|2,0,0]=4 8948 B12R0.164 CCCN(CCO)CCOC(C)C 269982a_100000211420_100000211751 [0,2,0,0,0,0|2,0,0]=4 8949 B12R0.164 CCCN(CCO)CCSC(C)C 2230a_100000211420_100000730970 [0,2,0,0,0,0|2,0,0]=4 8950 B12R0.164 CCCN(CCO)CCSC(C)C 269982a_100000211420_100000730970 [0,2,0,0,0,0|2,0,0]=4 8951 B12R0.164 CCC[C@@H](CCO)NCCC(C)C 2230a_100015193777_100000210312 [0,2,0,0,0,0|1,0,0]=3 8952 B12R0.164 CCC[C@@H](CCO)NCCC(C)C 269862a_100015193777_100000185833 [0,2,0,0,0,0|1,0,0]=3 8953 B12R0.164 CCC[C@@H](CCO)NCCC(C)C 34a_100015193777_100000210312 [0,2,0,0,0,0|1,0,0]=3 8954 B12R0.164 CCC[C@@H](CCO)NCCC(C)O 2230a_100015193777_100012276601 [0,2,0,0,0,0|2,0,0]=4 8955 B12R0.164 CCC[C@@H](CCO)NCCC(C)O 34a_100015193777_100012276601 [0,2,0,0,0,0|2,0,0]=4 8956 B12R0.164 CCC[C@@H](CCO)NCOC(C)C 2230a_100015193777_100000709892 [0,2,0,0,0,0|2,0,0]=4 8957 B12R0.164 CCC[C@@H](CCO)NCOC(C)C 34a_100015193777_100000709892 [0,2,0,0,0,0|2,0,0]=4 8958 B12R0.164 CN(C)CCCN(CCO)CCO 269982a_100000210587_100000757444 [0,2,0,0,0,0|2,0,0]=4 8959 B12R0.188 CCC(C)N(CC)CCCC(C)C 2230a_100000732650_100011214892 [0,2,0,0,0,0|2,0,0]=4 8960 B12R0.188 CCC(C)N(CC)CCCC(C)C 269982a_100000732650_100011214892 [0,2,0,0,0,0|2,0,0]=4 8961 B12R0.188 CCN(CCCC(C)C)C(C)CO 2230a_100000731049_100011214892 [0,2,0,0,0,0|1,0,0]=3 8962 B12R0.188 CCN(CCCC(C)C)C(C)CO 269982a_100000731049_100011214892 [0,2,0,0,0,0|1,0,0]=3 8963 B12R0.188 CCN(CCCC(C)O)C(C)CO 2230a_100000731049_200000718107 [0,2,0,0,0,0|2,0,0]=4 8964 B12R0.188 CCN(CCCC(C)O)C(C)CO 269982a_100000731049_200000718107 [0,2,0,0,0,0|2,0,0]=4 8965 B12R0.188 CCN(CCCN(C)C)C(C)CO 269982a_100000731049_100000757444 [0,2,0,0,0,0|2,0,0]=4 8966 B12R0.188 CCN(CCCN(C)C)[C@H](C)CO 269982a_100000225837_100016084084 [0,2,0,0,0,0|2,0,0]=4 8967 B12R0.188 CCN(CCOC(C)C)C(C)CO 2230a_100000731049_100000211751 [0,2,0,0,0,0|2,0,0]=4 8968 B12R0.188 CCN(CCOC(C)C)C(C)CO 269982a_100000731049_100000211751 [0,2,0,0,0,0|2,0,0]=4 8969 B12R0.188 CCN(CCSC(C)C)C(C)CO 2230a_100000731049_100000730970 [0,2,0,0,0,0|2,0,0]=4 8970 B12R0.188 CCN(CCSC(C)C)C(C)CO 269982a_100000731049_100000730970 [0,2,0,0,0,0|2,0,0]=4 8971 B12R0.188 CC[C@H](C)[C@@H](CO)NCCC(C)C 2230a_100011827617_100000210312 [0,2,0,0,0,0|2,0,0]=4 8972 B12R0.188 CC[C@H](C)[C@@H](CO)NCCC(C)C 269862a_100011827617_100000185833 [0,2,0,0,0,0|2,0,0]=4 8973 B12R0.229 CCCC(CC)NCCC(C)CC 270004a_100020591266_100000687865 [0,2,0,0,0,0|2,0,0]=4 8974 B12R0.229 CCCC(CC)NCCC(C)CO 270004a_106354213184_100000687865 [0,2,0,0,0,0|2,0,0]=4 8975 B12R0.229 CCCC(CC)OCCC(C)CC 7a_100011215188_100011219200 [0,2,0,0,0,0|2,0,0]=4 8976 B12R0.229 CCCC(CC)OCCC(C)OC 7a_100000764861_100011219200 [0,2,0,0,0,0|2,0,0]=4 8977 B12R0.229 CCCC(CCOC(C)CC)SC 34a_100000032865_100011215416 [0,2,0,0,0,0|2,0,0]=4 8978 B12R0.229 CCCC(CCOC(C)CC)SC 7a_100000032865_100000758301 [0,2,0,0,0,0|2,0,0]=4 8979 B12R0.229 CCCC(CCOC(C)CO)SC 34a_100000032865_100012180447 [0,2,0,0,0,0|2,0,0]=4 8980 B12R0.229 CCCC(CCOC(C)CO)SC 7a_100000032865_100012180447 [0,2,0,0,0,0|2,0,0]=4 8981 B12R0.229 CCN(C)CCCN(CC)CCO 2230a_100000210973_100015186262 [0,2,0,0,0,0|2,0,0]=4 8982 B12R0.229 CCN(C)CCCN(CC)CCO 269982a_100000210973_100015186262 [0,2,0,0,0,0|2,0,0]=4 8983 B12R0.229 CCN(CCO)CCCC(C)NC 2230a_100000080713_200000210301 [0,2,0,0,0,0|1,0,0]=3 8984 B12R0.229 CCN(CCO)CCCC(C)N[13CH3] 2230a_100000080713_200025704644 [0,2,0,0,0,0|1,0,0]=3 8985 B12R0.230 CCCC(CC)NCCC(C)(C)C 2230a_100000747048_100000755188 [0,2,0,0,0,0|2,0,0]=4 8986 B12R0.230 CCCC(CC)NCCC(C)(C)C 270004a_100000738805_100000687865 [0,2,0,0,0,0|2,0,0]=4 8987 B12R0.230 CCCC(CC)NCCC(C)(C)F 270004a_100016253952_100000687865 [0,2,0,0,0,0|2,0,0]=4 8988 B12R0.230 CCCC(CC)NCCC(C)(C)O 2230a_100000747048_100000702414 [0,2,0,0,0,0|2,0,0]=4 8989 B12R0.230 CCCC(CC)NCCC(C)(C)O 270004a_100000707701_100000687865 [0,2,0,0,0,0|2,0,0]=4 8990 B12R0.230 CCCC(CC)OCCC(C)(C)C 34a_100000687864_100000755188 [0,2,0,0,0,0|2,0,0]=4 8991 B12R0.230 CCCC(CC)OCCC(C)(C)C 7a_100000687864_100000755188 [0,2,0,0,0,0|2,0,0]=4 8992 B12R0.230 CCCC(CC)OCCC(C)(C)C 7a_100000765024_100011219200 [0,2,0,0,0,0|2,0,0]=4 8993 B12R0.230 CCCC(CC)OCCC(C)(C)O 34a_100000687864_100000702414 [0,2,0,0,0,0|2,0,0]=4 8994 B12R0.230 CCCC(CC)OCCC(C)(C)O 7a_100000687864_100000702414 [0,2,0,0,0,0|2,0,0]=4 8995 B12R0.230 CCCC(CC)SCCC(C)(C)C 62a_100000755188_100011219200 [0,2,0,0,0,0|2,0,0]=4 8996 B12R0.230 CCCC(CC)SCCC(C)(C)C 62a_100011219200_100000755188 [0,2,0,0,0,0|2,0,0]=4 8997 B12R0.230 CCCC(CC)SCCC(C)(C)O 62a_100000702414_100011219200 [0,2,0,0,0,0|2,0,0]=4 8998 B12R0.230 CCCC(CC)SCCC(C)(C)O 62a_100011219200_100000702414 [0,2,0,0,0,0|2,0,0]=4 8999 B12R0.230 CCCC(CCOC(C)(C)C)SC 34a_100000032865_100000210625 [0,2,0,0,0,0|2,0,0]=4 9000 B12R0.230 CCCN(CC)CCCC(C)(C)O 2230a_100000226822_100009888830 [0,2,0,0,0,0|2,0,0]=4 9001 B12R0.230 CCCN(CC)CCCC(C)(C)O 269982a_100000226822_100009888830 [0,2,0,0,0,0|2,0,0]=4 9002 B12R0.230 CCC[C@@H](CO)NCCC(C)(C)C 2230a_100000732646_100000755188 [0,2,0,0,0,0|2,0,0]=4 9003 B12R0.230 CCC[C@@H](CO)NCCC(C)(C)C 34a_100000732646_100000755188 [0,2,0,0,0,0|2,0,0]=4 9004 B12R0.230 CCC[C@@H](CO)NCCC(C)(C)O 2230a_100000732646_100000702414 [0,2,0,0,0,0|2,0,0]=4 9005 B12R0.230 CCC[C@@H](CO)NCCC(C)(C)O 34a_100000732646_100000702414 [0,2,0,0,0,0|2,0,0]=4 9006 B12R0.230 CCN(CCO)CCCC(C)(C)O 2230a_100000210973_100009888830 [0,2,0,0,0,0|1,0,0]=3 9007 B12R0.230 CCN(CCO)CCCC(C)(C)O 269982a_100000210973_100009888830 [0,2,0,0,0,0|1,0,0]=3 9008 B12R0.230 CCN(CCO)CCC[N+](C)(C)C 2230a_100000210973_100016990835 [0,2,0,0,0,0|2,0,0]=4 9009 B12R0.230 CCN(CCO)CCC[N+](C)(C)C 269982a_100000210973_100016990835 [0,2,0,0,0,0|2,0,0]=4 9010 B12R0.230 CCN(CCO)CCC[Si](C)(C)C 2230a_100000210973_100011219597 [0,2,0,0,0,0|1,1,0]=4 9011 B12R0.230 CCN(CCO)CCC[Si](C)(C)C 269982a_100000210973_100011219597 [0,2,0,0,0,0|1,1,0]=4 9012 B12R0.254 CCCCC(CC)CCCN(C)C 2230a_100011691468_200000210301 [0,2,0,0,0,0|2,0,0]=4 9013 B12R0.254 CCCCC(CC)CCCN(C)C 269982a_100011691468_200000210301 [0,2,0,0,0,0|2,0,0]=4 9014 B12R0.254 CCCCC(CC)CCCN(C)[13CH3] 2230a_100011691468_200025704644 [0,2,0,0,0,0|2,0,0]=4 9015 B12R0.254 CCCCC(CC)CCCN(C)[13CH3] 269982a_100011691468_200025704644 [0,2,0,0,0,0|2,0,0]=4 9016 B12R0.254 CCCCC(CC)CNCC(C)C 2230a_100000209976_100000210760 [0,2,0,0,0,0|2,0,0]=4 9017 B12R0.254 CCCCC(CC)CNCC(C)C 2230a_100000210953_100000211942 [0,2,0,0,0,0|2,0,0]=4 9018 B12R0.254 CCCCC(CC)CNCC(C)C 269862a_100000210953_100011219736 [0,2,0,0,0,0|2,0,0]=4 9019 B12R0.254 CCCCC(CC)CNCC(C)C 270004a_100000209976_100000210432 [0,2,0,0,0,0|2,0,0]=4 9020 B12R0.254 CCCCC(CC)CNCC(C)C 270004a_100000210953_100011219736 [0,2,0,0,0,0|2,0,0]=4 9021 B12R0.254 CCCCC(CC)CNCC(C)C 34a_100000210953_100000211942 [0,2,0,0,0,0|2,0,0]=4 9022 B12R0.254 CCCCC(CC)COCC(C)C 34a_100000210257_100000211942 [0,2,0,0,0,0|2,0,0]=4 9023 B12R0.254 CCCCC(CC)COCC(C)C 34a_100000210273_100000210624 [0,2,0,0,0,0|2,0,0]=4 9024 B12R0.254 CCCCC(CC)COCC(C)C 7a_100000210273_100000210760 [0,2,0,0,0,0|2,0,0]=4 9025 B12R0.254 CCCCC(CC)CSCC(C)C 62a_100000210624_100000211942 [0,2,0,0,0,0|2,0,0]=4 9026 B12R0.254 CCCCC(CC)CSCC(C)C 62a_100000211942_100000210760 [0,2,0,0,0,0|2,0,0]=4 9027 B12R0.254 CCCCC(CC)NCCC(C)C 270004a_100000210545_100000753412 [0,2,0,0,0,0|2,0,0]=4 9028 B12R0.254 CCCCC(CC)OCCC(C)C 34a_100000210254_200011216223 [0,2,0,0,0,0|2,0,0]=4 9029 B12R0.254 CCCCC(CC)OCCC(C)C 34a_100011215227_100000210312 [0,2,0,0,0,0|2,0,0]=4 9030 B12R0.254 CCCCC(CC)OCCC(C)C 7a_100000210254_200011216223 [0,2,0,0,0,0|2,0,0]=4 9031 B12R0.254 CCCCC(CC)OCCC(C)C 7a_100011215227_100000210626 [0,2,0,0,0,0|2,0,0]=4 9032 B12R0.254 CCCCC(CC)SCCC(C)C 62a_100000210312_200011216223 [0,2,0,0,0,0|2,0,0]=4 9033 B12R0.254 CCCCC(CC)SCCC(C)C 62a_200011216223_100000210312 [0,2,0,0,0,0|2,0,0]=4 9034 B12R0.254 CCCCN(CC)CCCC(C)C 2230a_100000207695_100011214892 [0,2,0,0,0,0|2,0,0]=4 9035 B12R0.254 CCCCN(CC)CCCC(C)C 269982a_100000207695_100011214892 [0,2,0,0,0,0|2,0,0]=4 9036 B12R0.254 CCCC[C@@H](CO)NCCC(C)C 2230a_100011934283_100000210312 [0,2,0,0,0,0|2,0,0]=4 9037 B12R0.254 CCCC[C@@H](CO)NCCC(C)C 269862a_100011934283_100000185833 [0,2,0,0,0,0|2,0,0]=4 9038 B12R0.254 CCCC[C@@H](CO)NCCC(C)C 34a_100011934283_100000210312 [0,2,0,0,0,0|2,0,0]=4 9039 B12R0.254 CCN(CCC#N)CCCC(C)C 2230a_100000226048_100011214892 [0,2,0,0,0,0|2,0,0]=4 9040 B12R0.254 CCN(CCCC(C)C)CCOC 2230a_100000731262_100011214892 [0,2,0,0,0,0|1,0,0]=3 9041 B12R0.254 CCN(CCCC(C)C)CCOC 269982a_100000731262_100011214892 [0,2,0,0,0,0|1,0,0]=3 9042 B12R0.254 CCN(CCCC(C)O)CCOC 2230a_100000731262_200000718107 [0,2,0,0,0,0|2,0,0]=4 9043 B12R0.254 CCN(CCCC(C)O)CCOC 269982a_100000731262_200000718107 [0,2,0,0,0,0|2,0,0]=4 9044 B12R0.254 CCN(CCCN(C)C)CCOC 269982a_100000225837_100000233755 [0,2,0,0,0,0|2,0,0]=4 9045 B12R0.254 CCN(CCCN(C)C)CCOC 269982a_100000731262_100000757444 [0,2,0,0,0,0|2,0,0]=4 9046 B12R0.254 CCN(CCCO)CCCN(C)C 269982a_100000225837_100011215043 [0,2,0,0,0,0|2,0,0]=4 9047 B12R0.254 CCN(CCOC)CCOC(C)C 2230a_100000731262_100000211751 [0,2,0,0,0,0|2,0,0]=4 9048 B12R0.254 CCN(CCOC)CCOC(C)C 269982a_100000731262_100000211751 [0,2,0,0,0,0|2,0,0]=4 9049 B12R0.254 CCN(CCOC)CCSC(C)C 2230a_100000731262_100000730970 [0,2,0,0,0,0|2,0,0]=4 9050 B12R0.254 CCN(CCOC)CCSC(C)C 269982a_100000731262_100000730970 [0,2,0,0,0,0|2,0,0]=4 9051 B12R0.254 CCOCC(CN)OCCC(C)C 34a_102515437182_100000210312 [0,2,0,0,0,0|2,0,0]=4 9052 B12R0.254 CSCC[C@@H](CO)NCCC(C)C 2230a_100011827619_100000210312 [0,2,0,0,0,0|1,1,0]=4 9053 B12R0.254 CSCC[C@@H](CO)NCCC(C)C 269862a_100011827619_100000185833 [0,2,0,0,0,0|1,1,0]=4 9054 B12R0.282 C=CC(C)(CCCC(C)C)OCC 34a_200000067283_100000210202 [0,2,0,0,0,0|2,0,0]=4 9055 B12R0.282 C=CC(C)(CCCC(C)C)OCC 7a_200000067283_100000210202 [0,2,0,0,0,0|2,0,0]=4 9056 B12R0.282 C=CC(C)(CCCC(C)C)OCF 34a_200000067283_100015361967 [0,2,0,0,0,0|2,0,0]=4 9057 B12R0.282 C=CC(C)(CCCC(C)C)OCF 7a_200000067283_100015361967 [0,2,0,0,0,0|2,0,0]=4 9058 B12R0.282 CCC(C)(CCCC(C)C)OCF 7a_100011215589_100015361967 [0,2,0,0,0,0|2,0,0]=4 9059 B12R0.282 CCCC(C)(CC)OCCC(C)C 7a_100000210254_200000040151 [0,2,0,0,0,0|2,0,0]=4 9060 B12R0.282 CCCC(C)(CC)OCCC(C)C 7a_200011215934_100000210626 [0,2,0,0,0,0|2,0,0]=4 9061 B12R0.282 CCCC(C)(CC)SCCC(C)C 62a_100000210312_200000040151 [0,2,0,0,0,0|2,0,0]=4 9062 B12R0.282 CCCC(C)(CC)SCCC(C)C 62a_200000040151_100000210312 [0,2,0,0,0,0|2,0,0]=4 9063 B12R0.282 CCOC(C)(CC)CCCC(C)C 7a_100011215589_100000210202 [0,2,0,0,0,0|2,0,0]=4 9064 B12R0.299 CCCC(CC)NCC(O)C(C)C 270004a_100000759067_100000687865 [0,2,0,0,0,0|2,0,0]=4 9065 B12R0.397 CC(C)CCCN(CCO)C(C)C 2230a_100000224655_100011214892 [0,2,0,0,0,0|1,0,0]=3 9066 B12R0.397 CC(C)CCCN(CCO)C(C)C 269982a_100000224655_100011214892 [0,2,0,0,0,0|1,0,0]=3 9067 B12R0.397 CC(C)CCNC(CCO)C(C)C 2230a_100161115045_100000210312 [0,2,0,0,0,0|1,0,0]=3 9068 B12R0.397 CC(C)CCNC(CCO)C(C)C 269862a_100161115045_100000185833 [0,2,0,0,0,0|1,0,0]=3 9069 B12R0.397 CC(C)CCNC(CCO)C(C)C 34a_100161115045_100000210312 [0,2,0,0,0,0|1,0,0]=3 9070 B12R0.397 CC(C)N(CCO)CCCN(C)C 269982a_100000224655_100000757444 [0,2,0,0,0,0|2,0,0]=4 9071 B12R0.397 CC(C)OCCN(CCO)C(C)C 2230a_100000224655_100000211751 [0,2,0,0,0,0|2,0,0]=4 9072 B12R0.397 CC(C)OCCN(CCO)C(C)C 269982a_100000224655_100000211751 [0,2,0,0,0,0|2,0,0]=4 9073 B12R0.397 CC(C)OCNC(CCO)C(C)C 2230a_100161115045_100000709892 [0,2,0,0,0,0|2,0,0]=4 9074 B12R0.397 CC(C)OCNC(CCO)C(C)C 34a_100161115045_100000709892 [0,2,0,0,0,0|2,0,0]=4 9075 B12R0.397 CC(C)SCCN(CCO)C(C)C 2230a_100000224655_100000730970 [0,2,0,0,0,0|2,0,0]=4 9076 B12R0.397 CC(C)SCCN(CCO)C(C)C 269982a_100000224655_100000730970 [0,2,0,0,0,0|2,0,0]=4 9077 B12R0.397 CC(O)CCCN(CCO)C(C)C 2230a_100000224655_200000718107 [0,2,0,0,0,0|2,0,0]=4 9078 B12R0.397 CC(O)CCCN(CCO)C(C)C 269982a_100000224655_200000718107 [0,2,0,0,0,0|2,0,0]=4 9079 B12R0.397 CC(O)CCNC(CCO)C(C)C 2230a_100161115045_100012276601 [0,2,0,0,0,0|2,0,0]=4 9080 B12R0.397 CC(O)CCNC(CCO)C(C)C 34a_100161115045_100012276601 [0,2,0,0,0,0|2,0,0]=4 9081 B12R0.397 CCCC(CNCC(C)C)N(C)C 270004a_200000245711_100000210432 [0,2,0,0,0,0|2,0,0]=4 9082 B12R0.397 CCCC(OCCC(C)C)C(C)C 34a_200011215069_100000210312 [0,2,0,0,0,0|2,0,0]=4 9083 B12R0.397 CCCC(OCCC(C)C)C(C)C 7a_200011215069_100000210626 [0,2,0,0,0,0|2,0,0]=4 9084 B12R0.397 CCCN(CCCC(C)C)C(C)C 2230a_106256033942_100011214892 [0,2,0,0,0,0|2,0,0]=4 9085 B12R0.397 CCCN(CCCC(C)C)C(C)C 269982a_106256033942_100011214892 [0,2,0,0,0,0|2,0,0]=4 9086 B12R0.76 CC(C)C(=O)CN(C)C(C)CCO 2230a_100000731037_100000753385 [0,2,0,0,0,0|1,0,1]=4 9087 B12R0.76 CC(C)C(=O)CN(C)C(C)CCO 269982a_100000731037_100000753385 [0,2,0,0,0,0|1,0,1]=4 9088 B12R0.76 CC(CCO)C(=O)CC(C)N(C)C 1458a_100011311895_100009893172 [0,2,0,0,0,0|1,0,1]=4 9089 B12R0.76 CC(CCO)C(=O)CN(C)C(C)C 1458a_100000743827_100009893172 [0,2,0,0,0,0|1,0,1]=4 9090 B12R0.76 CCCC(C)C(C)NC(C)C(C)C 270004a_100000211541_100011216282 [0,2,0,0,0,0|2,0,0]=4 9091 B12R0.77 C#CC(OCC(C)C)C(C)CCC 34a_200011216176_100000210624 [0,2,0,0,0,0|2,0,0]=4 9092 B12R0.77 C#CC(OCC(C)C)C(C)CCC 7a_200011216176_100000210760 [0,2,0,0,0,0|2,0,0]=4 9093 B12R0.77 CCCC(C)C(CC)OCC(C)C 34a_200011218412_100000210624 [0,2,0,0,0,0|2,0,0]=4 9094 B12R0.77 CCCC(C)C(CC)OCC(C)C 7a_200011218412_100000210760 [0,2,0,0,0,0|2,0,0]=4 9095 B12R0.77 CCCC(C)N(CC)CCC(C)C 2230a_100000207693_100000766640 [0,2,0,0,0,0|2,0,0]=4 9096 B12R0.77 CCCC(C)N(CC)CCC(C)C 269982a_100000207693_100000766640 [0,2,0,0,0,0|2,0,0]=4 9097 B12R0.77 CCCC(C)N(CC)CCC(C)C 270004a_100000207693_100000211909 [0,2,0,0,0,0|2,0,0]=4 9098 B12R0.77 CCN(CCC(C)C)C(C)CCO 2230a_100000207693_100009893172 [0,2,0,0,0,0|1,0,0]=3 9099 B12R0.77 CCN(CCC(C)C)C(C)CCO 2230a_100011935059_100000210312 [0,2,0,0,0,0|1,0,0]=3 9100 B12R0.77 CCN(CCC(C)C)C(C)CCO 269982a_100000207693_100009893172 [0,2,0,0,0,0|1,0,0]=3 9101 B12R0.77 CCN(CCC(C)C)C(C)CCO 269982a_100011935059_100000210312 [0,2,0,0,0,0|1,0,0]=3 9102 B12R0.77 CCN(CCC(C)O)C(C)CCO 2230a_100011935059_100012276601 [0,2,0,0,0,0|2,0,0]=4 9103 B12R0.77 CCN(CCC(C)O)C(C)CCO 269982a_100011935059_100012276601 [0,2,0,0,0,0|2,0,0]=4 9104 B12R0.77 CCN(CCN(C)C)C(C)CCO 269982a_100000225870_100009893172 [0,2,0,0,0,0|2,0,0]=4 9105 B12R0.77 CCN(CCN(C)C)C(C)CCO 269982a_100011935059_100000755713 [0,2,0,0,0,0|2,0,0]=4 9106 B12R0.77 CCN(COC(C)C)C(C)CCO 2230a_100011935059_100000709892 [0,2,0,0,0,0|2,0,0]=4 9107 B12R0.77 CCN(COC(C)C)C(C)CCO 269982a_100011935059_100000709892 [0,2,0,0,0,0|2,0,0]=4 9108 B12R0.88 CC(C)CCC(=O)N(C)C(C)CO 240690a_100000693034_100000181311 [0,2,0,0,0,0|1,0,1]=4 9109 B12R0.88 CC(C)CCC(=O)N(C)C(C)CO 527a_100000693034_100000181311 [0,2,0,0,0,0|1,0,1]=4 9110 B12R0.88 CC(C)CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210312 [0,2,0,0,0,0|1,0,1]=4 9111 B12R0.88 CC(C)CCC(C)C(=O)C(O)CO 1458a_100011215603_100011261404 [0,2,0,0,0,0|1,0,1]=4 9112 B12R0.88 CC(C)CCC(C)N(C)C(C)CO 2230a_100000693034_100011261404 [0,2,0,0,0,0|1,0,0]=3 9113 B12R0.88 CC(C)CCC(C)N(C)C(C)CO 269982a_100000693034_100011261404 [0,2,0,0,0,0|1,0,0]=3 9114 B12R0.88 CC(C)CCC(C)N(C)C(C)CO 270004a_100000693034_100000210476 [0,2,0,0,0,0|1,0,0]=3 9115 B12R0.88 CCC(C)C(C)C(C)OCC(C)C 7a_200011290770_100000210760 [0,2,0,0,0,0|2,0,0]=4 9116 B12R0.88 CCC(C)C(C)N(C)CCC(C)C 270004a_100000742789_100000210599 [0,2,0,0,0,0|2,0,0]=4 9117 B12R0.88 CCC(C)N(C)C(C)CCC(C)C 2230a_100000741768_100011261404 [0,2,0,0,0,0|2,0,0]=4 9118 B12R0.88 CCC(C)N(C)C(C)CCC(C)C 269982a_100000741768_100011261404 [0,2,0,0,0,0|2,0,0]=4 9119 B12R0.88 CCC(C)N(C)C(C)CCC(C)C 270004a_100000741768_100000210476 [0,2,0,0,0,0|2,0,0]=4 9120 B12R0.98 C=CCCC(C)N(C)CCC(C)C 270004a_100000742789_100000762624 [0,2,0,0,0,0|2,0,0]=4 9121 B12R0.98 C=CCCN(C)C(C)CCC(C)C 2230a_100020639649_100011261404 [0,2,0,0,0,0|2,0,0]=4 9122 B12R0.98 C=CCCN(C)C(C)CCC(C)C 269982a_100020639649_100011261404 [0,2,0,0,0,0|2,0,0]=4 9123 B12R0.98 C=CCCN(C)C(C)CCC(C)C 270004a_100020639649_100000210476 [0,2,0,0,0,0|2,0,0]=4 9124 B12R0.98 CC(C)CCC(=O)N(C)CCCO 240690a_100000213112_100000181311 [0,2,0,0,0,0|1,0,1]=4 9125 B12R0.98 CC(C)CCC(=O)N(C)CCCO 527a_100000213112_100000181311 [0,2,0,0,0,0|1,0,1]=4 9126 B12R0.98 CC(C)CCC(C)N(C)CCC#N 2230a_100000184479_100011261404 [0,2,0,0,0,0|2,0,0]=4 9127 B12R0.98 CC(C)CCC(C)N(C)CCC#N 270004a_100000184479_100000210476 [0,2,0,0,0,0|2,0,0]=4 9128 B12R0.98 CC(C)CCC(C)N(C)CCCO 2230a_100000213112_100011261404 [0,2,0,0,0,0|1,0,0]=3 9129 B12R0.98 CC(C)CCC(C)N(C)CCCO 269982a_100000213112_100011261404 [0,2,0,0,0,0|1,0,0]=3 9130 B12R0.98 CC(C)CCC(C)N(C)CCCO 270004a_100000213112_100000210476 [0,2,0,0,0,0|1,0,0]=3 9131 B12R0.98 CC(C)CNC(=O)C(C)NCCO 2230a_100016997473_100000230289 [0,2,0,0,0,0|1,0,1]=4 9132 B12R0.98 CC(C)CNC(=O)C(C)NCCO 2230a_100025753496_100000211926 [0,2,0,0,0,0|1,0,1]=4 9133 B12R0.98 CC(C)CNC(=O)C(C)NCCO 34a_100016990907_100000230289 [0,2,0,0,0,0|1,0,1]=4 9134 B12R0.98 CC(C)CNC(=O)C(C)NCCO 34a_100025753496_100000211926 [0,2,0,0,0,0|1,0,1]=4 9135 B12R0.98 CC(C)CNC(=O)C(C)SCCO 62a_100000211926_100000230289 [0,2,0,0,0,0|1,0,1]=4 9136 B12R0.98 CC(C)CNC(=O)C(C)SCCO 62a_100000230289_100000211926 [0,2,0,0,0,0|1,0,1]=4 9137 B12R0.98 CCCCC(C)C(=O)CCC(C)C 1458a_100000181311_200011215066 [0,2,0,0,0,0|1,0,1]=4 9138 B12R0.98 CCCCC(C)C(=O)CCC(C)C 1458a_100000725509_100000210312 [0,2,0,0,0,0|1,0,1]=4 9139 B12R0.98 CCCCC(C)N(C)CCC(C)C 2230a_100000742789_200011215066 [0,2,0,0,0,0|2,0,0]=4 9140 B12R0.98 CCCCC(C)N(C)CCC(C)C 269982a_100000742789_200011215066 [0,2,0,0,0,0|2,0,0]=4 9141 B12R0.98 CCCCC(C)N(C)CCC(C)C 270004a_100000742789_100000210087 [0,2,0,0,0,0|2,0,0]=4 9142 B12R0.98 CCCCN(C)C(C)CCC(C)C 2230a_100000207549_100011261404 [0,2,0,0,0,0|2,0,0]=4 9143 B12R0.98 CCCCN(C)C(C)CCC(C)C 269982a_100000207549_100011261404 [0,2,0,0,0,0|2,0,0]=4 9144 B12R0.98 CCCCN(C)C(C)CCC(C)C 270004a_100000207549_100000210476 [0,2,0,0,0,0|2,0,0]=4 9145 B12R0.98 CCSCC(C)N(C)CCC(C)C 270004a_100000742789_200011216171 [0,2,0,0,0,0|2,0,0]=4 9146 B12R0.98 COCCC(=O)C(C)CCC(C)C 1458a_100000749529_100011261404 [0,2,0,0,0,0|1,0,1]=4 9147 B12R0.98 COCCC(C)N(C)CCC(C)C 270004a_100000742789_100000742357 [0,2,0,0,0,0|1,0,0]=3 9148 B12R0.98 COCCC(C)N(C)CCN(C)C 270004a_100000225618_100000742357 [0,2,0,0,0,0|2,0,0]=4 9149 B12R0.98 COCCN(C)C(=O)CCC(C)C 11a_100000743101_100000181311 [0,2,0,0,0,0|1,0,1]=4 9150 B12R0.98 COCCN(C)C(=O)CCC(C)C 1626a_100000743101_100000181311 [0,2,0,0,0,0|1,0,1]=4 9151 B12R0.98 COCCN(C)C(=O)CCC(C)C 240690a_100000743101_100000181311 [0,2,0,0,0,0|1,0,1]=4 9152 B12R0.98 COCCN(C)C(=O)CCC(C)C 527a_100000743101_100000181311 [0,2,0,0,0,0|1,0,1]=4 9153 B12R0.98 COCCN(C)C(C)CCC(C)C 2230a_100000743101_100011261404 [0,2,0,0,0,0|1,0,0]=3 9154 B12R0.98 COCCN(C)C(C)CCC(C)C 269982a_100000743101_100011261404 [0,2,0,0,0,0|1,0,0]=3 9155 B12R0.98 COCCN(C)C(C)CCC(C)C 270004a_100000743101_100000210476 [0,2,0,0,0,0|1,0,0]=3 9156 B12R0.98 CSCCC(C)N(C)CCC(C)C 270004a_100000742789_100011217047 [0,2,0,0,0,0|1,1,0]=4 9157 B12R0.98 CSCCN(C)C(C)CCC(C)C 2230a_100000686725_100011261404 [0,2,0,0,0,0|1,1,0]=4 9158 B12R0.98 CSCCN(C)C(C)CCC(C)C 269982a_100000686725_100011261404 [0,2,0,0,0,0|1,1,0]=4 9159 B12R0.98 CSCCN(C)C(C)CCC(C)C 270004a_100000686725_100000210476 [0,2,0,0,0,0|1,1,0]=4 9160 B12R0.174 CCCC(C)(C)C(=O)CCC(C)C 1458a_100011215034_100000210312 [0,2,0,0,0,0|1,0,1]=4 9161 B12R0.178 CC(CCO)C(=O)CCC(C)(C)C 1458a_100000757465_100009893172 [0,2,0,0,0,0|0,0,1]=3 9162 B12R0.178 CC(CCO)C(=O)CCC(C)(F)F 1458a_100000030992_100009893172 [0,2,0,0,0,0|1,0,1]=4 9163 B12R0.178 CC(CCO)C(=O)CC[Si](C)(C)C 1458a_100011215282_100009893172 [0,2,0,0,0,0|0,1,1]=4 9164 B12R0.178 CC(CCO)C(=O)COC(C)(C)C 1458a_100000686494_100009893172 [0,2,0,0,0,0|1,0,1]=4 9165 B12R0.178 CC(CCO)N(C)CCC(C)(C)C 2230a_100000731037_100000755188 [0,2,0,0,0,0|1,0,0]=3 9166 B12R0.178 CC(CCO)N(C)CCC(C)(C)C 269982a_100000731037_100000755188 [0,2,0,0,0,0|1,0,0]=3 9167 B12R0.178 CC(CCO)N(C)CCC(C)(C)O 2230a_100000731037_100000702414 [0,2,0,0,0,0|1,0,0]=3 9168 B12R0.178 CC(CCO)N(C)CC[N+](C)(C)C 269982a_100000731037_100000085578 [0,2,0,0,0,0|2,0,0]=4 9169 B12R0.178 CC(CCO)N(C)CC[Si](C)(C)C 2230a_100000731037_200000733723 [0,2,0,0,0,0|1,1,0]=4 9170 B12R0.178 CC(CCO)N(C)CC[Si](C)(C)C 269982a_100000731037_200000733723 [0,2,0,0,0,0|1,1,0]=4 9171 B12R0.178 CC(CSC(C)(C)C)N(C)CCO 270004a_100000210263_100000175412 [0,2,0,0,0,0|2,0,0]=4 9172 B12R0.178 CCCC(C)C(=O)CCC(C)(C)C 1458a_100000210906_100000755188 [0,2,0,0,0,0|1,0,1]=4 9173 B12R0.178 CCCC(C)C(=O)CCC(C)(C)C 1458a_100000757465_100000766640 [0,2,0,0,0,0|1,0,1]=4 9174 B12R0.178 CCCC(C)C(C)NCC(C)(C)C 270004a_100000743828_100011216282 [0,2,0,0,0,0|2,0,0]=4 9175 B12R0.178 CCCC(C)C(C)NCC(C)(C)F 270004a_100020643315_100011216282 [0,2,0,0,0,0|2,0,0]=4 9176 B12R0.178 CCCC(C)C(C)NCC(C)(C)O 270004a_100000751335_100011216282 [0,2,0,0,0,0|2,0,0]=4 9177 B12R0.178 CCCC(C)C(C)OCC(C)(C)C 34a_100000708338_100011219605 [0,2,0,0,0,0|2,0,0]=4 9178 B12R0.178 CCCC(C)C(C)OCC(C)(C)F 34a_100000708338_100011997219 [0,2,0,0,0,0|2,0,0]=4 9179 B12R0.178 CCCC(C)C(C)OCC(C)(C)O 34a_100000708338_100000764493 [0,2,0,0,0,0|2,0,0]=4 9180 B12R0.178 CCCC(C)C(C)OCC(C)(C)O 7a_100000708338_100000764493 [0,2,0,0,0,0|2,0,0]=4 9181 B12R0.178 CN(CCO)C(=O)CCC(C)(C)C 240690a_100000210263_100000757465 [0,2,0,0,0,0|1,0,1]=4 9182 B12R0.178 CN(CCO)C(=O)CCC(C)(C)C 527a_100000210263_100000757465 [0,2,0,0,0,0|1,0,1]=4 9183 B12R0.193 CCC(C)CCC(=O)C(C)CCO 1458a_100000701222_100009893172 [0,2,0,0,0,0|0,0,1]=3 9184 B12R0.193 CCC(C)CCC(=O)N(C)CCO 240690a_100000210263_100000701222 [0,2,0,0,0,0|1,0,1]=4 9185 B12R0.193 CCC(C)CCC(=O)N(C)CCO 527a_100000210263_100000701222 [0,2,0,0,0,0|1,0,1]=4 9186 B12R0.193 CCCC(C)C(=O)CCC(C)CC 1458a_100000701222_100000766640 [0,2,0,0,0,0|1,0,1]=4 9187 B12R0.193 CCCC(C)C(C)NCC(C)CC 270004a_100020588543_100011216282 [0,2,0,0,0,0|2,0,0]=4 9188 B12R0.193 CCCC(C)C(C)NC[C@@H](C)OC 270004a_100020591295_100011216282 [0,2,0,0,0,0|2,0,0]=4 9189 B12R0.193 CCCC(C)C(C)OCC(C)CC 34a_100000708338_100000748023 [0,2,0,0,0,0|2,0,0]=4 9190 B12R0.193 CCCC(C)C(C)OCC(C)CC 7a_100000708338_100000748023 [0,2,0,0,0,0|2,0,0]=4 9191 B12R0.193 CCCC(C)C(C)OC[C@@H](C)CC 34a_100000708338_100009816398 [0,2,0,0,0,0|2,0,0]=4 9192 B12R0.193 CCCC(C)C(C)OC[C@@H](C)CC 7a_100000708338_100009816398 [0,2,0,0,0,0|2,0,0]=4 9193 B12R0.193 CCCC(C)C(C)OC[C@@H](C)CO 34a_100000708338_100000059175 [0,2,0,0,0,0|2,0,0]=4 9194 B12R0.193 CCCC(C)C(C)OC[C@@H](C)CO 7a_100000708338_100000059175 [0,2,0,0,0,0|2,0,0]=4 9195 B12R0.193 CCN(C)CCC(=O)C(C)CCO 1458a_100000755305_100009893172 [0,2,0,0,0,0|1,0,1]=4 9196 B12R0.417 CC(C)CCC(C)(C)C(=O)CCO 1458a_100011216618_200000037585 [0,2,0,0,0,0|1,0,1]=4 9197 B12R0.417 CC(C)CCC(C)(C)N(C)CCO 269982a_100000210263_200000037585 [0,2,0,0,0,0|1,0,0]=3 9198 B12R0.417 CC(C)CCS(=O)(=O)N(C)CCO 270084a_100000210263_100000750698 [0,2,0,0,0,0|2,0,0]=4 9199 B12R0.417 CC(C)CCS(=O)(=O)N(C)CCO 274078a_100000210263_100000750698 [0,2,0,0,0,0|2,0,0]=4 9200 B12R0.417 CCCC(C)C(C)(C)OCC(C)C 7a_200011218223_100000210760 [0,2,0,0,0,0|2,0,0]=4 9201 B12R0.417 CCCN(C)C(C)(C)CCC(C)C 269982a_100000747261_200000037585 [0,2,0,0,0,0|2,0,0]=4 9202 B12R0.176 CCC(C)CSC[N+](C)(C)CCO 62a_100000748023_200010270792 [0,2,0,0,0,0|2,0,0]=4 9203 B12R0.176 CCC(C)CSC[N+](C)(C)CCO 62a_200010270792_100000748023 [0,2,0,0,0,0|2,0,0]=4 9204 B12R0.176 CCCC(C)(C)COCC(C)CC 7a_100011995695_100000748023 [0,2,0,0,0,0|2,0,0]=4 9205 B12R0.176 CCCC(C)(C)COC[C@@H](C)CC 7a_100011995695_100009816398 [0,2,0,0,0,0|2,0,0]=4 9206 B12R0.176 CCCC(C)(C)COC[C@@H](C)CO 7a_100011995695_100000059175 [0,2,0,0,0,0|2,0,0]=4 9207 B12R0.176 CC[C@H](C)COC[N+](C)(C)CCO 7a_100009816381_200010270792 [0,2,0,0,0,0|2,0,0]=4 9208 B12R0.176 CC[C@H](C)CSC[N+](C)(C)CCO 62a_100009816398_200010270792 [0,2,0,0,0,0|2,0,0]=4 9209 B12R0.176 CC[C@H](C)CSC[N+](C)(C)CCO 62a_200010270792_100009816398 [0,2,0,0,0,0|2,0,0]=4 9210 B12R0.176 C[C@@H](CO)CSC[N+](C)(C)CCO 62a_100000059175_200010270792 [0,2,0,0,0,0|2,0,0]=4 9211 B12R0.176 C[C@@H](CO)CSC[N+](C)(C)CCO 62a_200010270792_100000059175 [0,2,0,0,0,0|2,0,0]=4 9212 B12R0.177 CC(C)(C)CCOC(C)(C)CCBr 7a_100000702414_100000755188 [0,2,0,0,0,0|2,0,0]=4 9213 B12R0.177 CC(C)(C)CSC[N+](C)(C)CCO 62a_100011219605_200010270792 [0,2,0,0,0,0|2,0,0]=4 9214 B12R0.177 CC(C)(C)CSC[N+](C)(C)CCO 62a_200010270792_100011219605 [0,2,0,0,0,0|2,0,0]=4 9215 B12R0.177 CC(C)(F)CSC[N+](C)(C)CCO 62a_100011997219_200010270792 [0,2,0,0,0,0|2,0,0]=4 9216 B12R0.177 CC(C)(F)CSC[N+](C)(C)CCO 62a_200010270792_100011997219 [0,2,0,0,0,0|2,0,0]=4 9217 B12R0.177 CC(C)(O)CCOC(C)(C)CCBr 7a_100000702414_100000702414 [0,2,0,0,0,0|2,0,0]=4 9218 B12R0.177 CC(C)(O)CSC[N+](C)(C)CCO 62a_100000764493_200010270792 [0,2,0,0,0,0|2,0,0]=4 9219 B12R0.177 CC(C)(O)CSC[N+](C)(C)CCO 62a_200010270792_100000764493 [0,2,0,0,0,0|2,0,0]=4 9220 B12R0.177 CCCC(C)(C)COCC(C)(C)O 7a_100011995695_100000764493 [0,2,0,0,0,0|2,0,0]=4 9221 B12R0.177 CCCC(C)(C)OCCC(C)(C)C 7a_100000748436_100000755188 [0,2,0,0,0,0|2,0,0]=4 9222 B12R0.177 CCCC(C)(C)OCCC(C)(C)O 7a_100000748436_100000702414 [0,2,0,0,0,0|2,0,0]=4 9223 B12R0.331 C#CCOC(C)(C)CCCC(C)C 7a_100011215742_100000038162 [0,2,0,0,0,0|1,0,1]=4 9224 B12R0.331 C=CCOC(C)(C)CCCC(C)C 7a_100011215742_100015514636 [0,2,0,0,0,0|1,0,1]=4 9225 B12R0.331 CC(C)CCCC(C)(C)OCC#N 7a_100011215742_100011215382 [0,2,0,0,0,0|1,0,1]=4 9226 B12R0.331 CC(C)CCCC(C)(C)OCC=O 7a_100011215742_200015260668 [0,2,0,0,0,0|0,0,2]=4 9227 B12R0.331 CC(C)CCCC(C)(C)OCCF 7a_100011215742_100011217306 [0,2,0,0,0,0|1,0,0]=3 9228 B12R0.331 CC(C)CCCC(C)(C)OCCO 7a_100011215742_100000211926 [0,2,0,0,0,0|0,0,0]=2 9229 B12R0.331 CC(C)CCOC(C)(C)CCCBr 7a_100009888830_100000210626 [0,2,0,0,0,0|2,0,0]=4 9230 B12R0.331 CC(C)CNCC(C)(C)CCC#N 270004a_100000210953_100000050660 [0,2,0,0,0,0|2,0,0]=4 9231 B12R0.331 CCCCC(C)(C)COCC(C)C 7a_200011995781_100000210760 [0,2,0,0,0,0|2,0,0]=4 9232 B12R0.331 CCCCC(C)(C)OCCC(C)C 7a_100011219641_100000210626 [0,2,0,0,0,0|2,0,0]=4 9233 B12R0.331 CCCOC(C)(C)CCCC(C)C 7a_100011215742_100000210303 [0,2,0,0,0,0|1,0,0]=3 9234 B12R0.432 CC(C)C(C)OC[N+](C)(C)CCO 7a_100000748068_200010270792 [0,2,0,0,0,0|2,0,0]=4 9235 B12R0.16 CC(CCO)OCC(=O)C(C)(C)C 34a_200011592769_100009893172 [0,2,0,0,0,0|1,0,1]=4 9236 B12R0.16 CC(CCO)OCC(=O)C(C)(C)C 7a_200011592769_100009893172 [0,2,0,0,0,0|1,0,1]=4 9237 B12R0.16 CC(CCO)SCC(=O)C(C)(C)C 62a_100000210923_100009893172 [0,2,0,0,0,0|1,0,1]=4 9238 B12R0.16 CC(CCO)SCC(=O)C(C)(C)C 62a_100009893172_100000210923 [0,2,0,0,0,0|1,0,1]=4 9239 B12R0.16 CCCC(C)CN[C@@H](C)C(C)(C)O 2230a_100025708725_100011216630 [0,2,0,0,0,0|2,0,0]=4 9240 B12R0.16 CCCC(C)CN[C@H](C)C(C)(C)C 2230a_100025703359_100011216630 [0,2,0,0,0,0|2,0,0]=4 9241 B12R0.16 CCCC(C)CN[C@H](C)C(C)(C)C 270004a_100025703359_100000243154 [0,2,0,0,0,0|2,0,0]=4 9242 B12R0.16 CCCC(C)NC[C@@H](F)C(C)(C)O 270004a_100015379105_100000211909 [0,2,0,0,0,0|2,0,0]=4 9243 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 9244 B12R0.17 C#CC(OCC(C)CCC)C(C)C 34a_100011217124_100011216630 [0,2,0,0,0,0|2,0,0]=4 9245 B12R0.17 C#CC(OCC(C)CCC)C(C)C 7a_100011217124_100011216630 [0,2,0,0,0,0|2,0,0]=4 9246 B12R0.17 C=CC(OCC(C)CCC)C(C)C 34a_100000732651_100011216630 [0,2,0,0,0,0|2,0,0]=4 9247 B12R0.17 C=CC(OCC(C)CCC)C(C)C 7a_100000732651_100011216630 [0,2,0,0,0,0|2,0,0]=4 9248 B12R0.17 CC(CCO)NCC(CO)C(C)C 34a_100000692819_100009893172 [0,2,0,0,0,0|1,0,0]=3 9249 B12R0.17 CC(CCO)OCC(CN)C(C)C 34a_100000692819_100009893172 [0,2,0,0,0,0|1,0,0]=3 9250 B12R0.17 CCC(CN[C@H](C)CCO)C(C)C 269862a_100000706166_100011214906 [0,2,0,0,0,0|1,0,0]=3 9251 B12R0.17 CCC(COC(C)CCO)C(C)C 34a_100011995916_100009893172 [0,2,0,0,0,0|1,0,0]=3 9252 B12R0.17 CCC(COC(C)CCO)C(C)C 7a_100011995916_100009893172 [0,2,0,0,0,0|1,0,0]=3 9253 B12R0.17 CCCC(C)CNC(CC)C(C)C 270004a_100000745074_100000243154 [0,2,0,0,0,0|2,0,0]=4 9254 B12R0.17 CCCC(C)CN[C@@H](CO)C(C)C 2230a_100011830312_100011216630 [0,2,0,0,0,0|2,0,0]=4 9255 B12R0.17 CCCC(C)CN[C@@H](CO)C(C)C 270004a_100011830312_100000243154 [0,2,0,0,0,0|2,0,0]=4 9256 B12R0.17 CCCC(C)CN[C@@H](CO)C(C)C 34a_100011830312_100011216630 [0,2,0,0,0,0|2,0,0]=4 9257 B12R0.17 CCCC(C)COC(C#N)C(C)C 34a_100000748901_100011216630 [0,2,0,0,0,0|2,0,0]=4 9258 B12R0.17 CCCC(C)COC(C#N)C(C)C 7a_100000748901_100011216630 [0,2,0,0,0,0|2,0,0]=4 9259 B12R0.17 CCCC(C)COC(CC)C(C)C 34a_100011218073_100011216630 [0,2,0,0,0,0|2,0,0]=4 9260 B12R0.17 CCCC(C)COC(CC)C(C)C 7a_100011218073_100011216630 [0,2,0,0,0,0|2,0,0]=4 9261 B12R0.17 CCCC(C)COC(CN)C(C)C 34a_100000759067_100011216630 [0,2,0,0,0,0|2,0,0]=4 9262 B12R0.17 CCCC(C)NCC(CC)C(C)C 269862a_100000741246_100011214906 [0,2,0,0,0,0|2,0,0]=4 9263 B12R0.17 CCCC(C)NCC(CO)C(C)C 270004a_100000692819_100000211909 [0,2,0,0,0,0|2,0,0]=4 9264 B12R0.17 CCCC(C)NCC(CO)C(C)C 34a_100000692819_100000766640 [0,2,0,0,0,0|2,0,0]=4 9265 B12R0.17 CCCC(C)OCC(CC)C(C)C 34a_100011995916_100000766640 [0,2,0,0,0,0|2,0,0]=4 9266 B12R0.17 CCCC(C)OCC(CC)C(C)C 7a_100011995916_100000766640 [0,2,0,0,0,0|2,0,0]=4 9267 B12R0.17 CCCC(C)OCC(CN)C(C)C 34a_100000692819_100000766640 [0,2,0,0,0,0|2,0,0]=4 9268 B12R0.48 C=CCCC(C)NCC(O)C(C)C 270004a_100000759067_100000762624 [0,2,0,0,0,0|2,0,0]=4 9269 B12R0.48 CC(C)C(=O)NC[C@H](C)CCCO 240690a_100160569302_100000210198 [0,2,0,0,0,0|1,0,1]=4 9270 B12R0.48 CC(C)C(=O)NC[C@H](C)CCCO 527a_100160569302_100000210198 [0,2,0,0,0,0|1,0,1]=4 9271 B12R0.48 CCCCC(C)CCC(=O)C(C)C 1458a_100000033779_100000210206 [0,2,0,0,0,0|1,0,1]=4 9272 B12R0.48 CCCCC(C)NCC(O)C(C)C 2230a_100000759067_200011215066 [0,2,0,0,0,0|2,0,0]=4 9273 B12R0.48 CCCCC(C)NCC(O)C(C)C 270004a_100000759067_100000210087 [0,2,0,0,0,0|2,0,0]=4 9274 B12R0.48 CCCCC(C)NCC(O)C(C)C 34a_100000759067_200011215066 [0,2,0,0,0,0|2,0,0]=4 9275 B12R0.48 CCCCC(C)OC[C@H](N)C(C)C 34a_100011830312_200011215066 [0,2,0,0,0,0|2,0,0]=4 9276 B12R0.48 CCSCC(C)NCC(O)C(C)C 270004a_100000759067_200011216171 [0,2,0,0,0,0|2,0,0]=4 9277 B12R0.48 COCCC(C)NCC(O)C(C)C 270004a_100000759067_100000742357 [0,2,0,0,0,0|1,0,0]=3 9278 B12R0.48 COCCN(C)CCC(=O)C(C)C 1458a_200103286627_100000210206 [0,2,0,0,0,0|1,0,1]=4 9279 B12R0.48 CSCCC(C)NCC(O)C(C)C 270004a_100000759067_100011217047 [0,2,0,0,0,0|1,1,0]=4 9280 B12R0.79 CCCC(C)COC(C)C(C)CC 7a_100011215189_100011216630 [0,2,0,0,0,0|2,0,0]=4 9281 B12R0.79 CCN(C)C(C)COC(C)CCO 7a_100000732741_100009893172 [0,2,0,0,0,0|2,0,0]=4 9282 B12R0.236 CCC(C)C(C)NCC(O)C(C)C 269862a_100000759067_100000210599 [0,2,0,0,0,0|2,0,0]=4 9283 B12R0.236 CCC(C)C(C)NCC(O)C(C)C 270004a_100000759067_100000210599 [0,2,0,0,0,0|2,0,0]=4 9284 B12R0.266 CCCC(C)CNC(C)(C)C(C)C 2230a_200160471154_100011216630 [0,2,0,0,0,0|2,0,0]=4 9285 B12R0.266 CCCC(C)CNC(C)(C)C(C)C 270004a_200160471154_100000243154 [0,2,0,0,0,0|2,0,0]=4 9286 B12R0.266 CCCC(C)COC(C)(C)C(C)C 7a_100011215261_100011216630 [0,2,0,0,0,0|2,0,0]=4 9287 B12R0.90 CC(CO)N(C)CCCC(C)(C)O 2230a_100000693034_100009888830 [0,2,0,0,0,0|1,0,0]=3 9288 B12R0.90 CC(CO)N(C)CCCC(C)(C)O 269982a_100000693034_100009888830 [0,2,0,0,0,0|1,0,0]=3 9289 B12R0.90 CC(CO)N(C)CCC[N+](C)(C)C 2230a_100000693034_100016990835 [0,2,0,0,0,0|2,0,0]=4 9290 B12R0.90 CC(CO)N(C)CCC[N+](C)(C)C 269982a_100000693034_100016990835 [0,2,0,0,0,0|2,0,0]=4 9291 B12R0.90 CC(CO)N(C)CCC[Si](C)(C)C 2230a_100000693034_100011219597 [0,2,0,0,0,0|1,1,0]=4 9292 B12R0.90 CC(CO)N(C)CCC[Si](C)(C)C 269982a_100000693034_100011219597 [0,2,0,0,0,0|1,1,0]=4 9293 B12R0.90 CC(CO)N(C)CCOC(C)(C)C 2230a_100000690421_100012180447 [0,2,0,0,0,0|2,0,0]=4 9294 B12R0.90 CCC(C)C(C)NCCC(C)(C)C 269862a_100000738805_100000210599 [0,2,0,0,0,0|2,0,0]=4 9295 B12R0.90 CCC(C)C(C)NCCC(C)(C)C 270004a_100000738805_100000210599 [0,2,0,0,0,0|2,0,0]=4 9296 B12R0.90 CCC(C)C(C)NCCC(C)(C)F 269862a_100016253952_100000210599 [0,2,0,0,0,0|2,0,0]=4 9297 B12R0.90 CCC(C)C(C)NCCC(C)(C)F 270004a_100016253952_100000210599 [0,2,0,0,0,0|2,0,0]=4 9298 B12R0.90 CCC(C)C(C)NCCC(C)(C)O 269862a_100000707701_100000210599 [0,2,0,0,0,0|2,0,0]=4 9299 B12R0.90 CCC(C)C(C)NCCC(C)(C)O 270004a_100000707701_100000210599 [0,2,0,0,0,0|2,0,0]=4 9300 B12R0.90 CCC(C)C(C)OCCC(C)(C)C 7a_100011215189_100000755188 [0,2,0,0,0,0|2,0,0]=4 9301 B12R0.90 CCC(C)C(C)OCCC(C)(C)O 7a_100011215189_100000702414 [0,2,0,0,0,0|2,0,0]=4 9302 B12R0.90 CCC(C)N(C)CCCC(C)(C)O 2230a_100000741768_100009888830 [0,2,0,0,0,0|2,0,0]=4 9303 B12R0.90 CCC(C)N(C)CCCC(C)(C)O 269982a_100000741768_100009888830 [0,2,0,0,0,0|2,0,0]=4 9304 B12R0.90 C[C@H](CO)N(C)CCOC(C)(C)C 269982a_100000690421_100016084084 [0,2,0,0,0,0|2,0,0]=4 9305 B12R0.156 CCC(C)C(C)NCCC(C)CO 269862a_106354213184_100000210599 [0,2,0,0,0,0|2,0,0]=4 9306 B12R0.156 CCC(C)C(C)NCCC(C)CO 270004a_106354213184_100000210599 [0,2,0,0,0,0|2,0,0]=4 9307 B12R0.156 CCC(C)CCNC(C)C(C)CC 269862a_100020591266_100000210599 [0,2,0,0,0,0|2,0,0]=4 9308 B12R0.156 CCC(C)CCNC(C)C(C)CC 270004a_100020591266_100000210599 [0,2,0,0,0,0|2,0,0]=4 9309 B12R0.156 CCN(C)CCCN(C)C(C)CO 2230a_100000693034_100015186262 [0,2,0,0,0,0|2,0,0]=4 9310 B12R0.156 CCN(C)CCCN(C)C(C)CO 269982a_100000693034_100015186262 [0,2,0,0,0,0|2,0,0]=4 9311 B12R0.349 CC(C)CCCC(=O)C(C)(C)CO 1458a_100000749806_100011214892 [0,2,0,0,0,0|1,0,1]=4 9312 B12R0.349 CC(C)CCCN(C)C(C)(C)CO 269982a_100015204102_100011214892 [0,2,0,0,0,0|1,0,0]=3 9313 B12R0.349 CC(C)OCCN(C)C(C)(C)CO 269982a_100015204102_100000211751 [0,2,0,0,0,0|2,0,0]=4 9314 B12R0.349 CC(C)SCCN(C)C(C)(C)CO 269982a_100015204102_100000730970 [0,2,0,0,0,0|2,0,0]=4 9315 B12R0.349 CC(O)CCCN(C)C(C)(C)CO 269982a_100015204102_200000718107 [0,2,0,0,0,0|2,0,0]=4 9316 B12R0.349 CCC(C)(C)N(C)CCCC(C)C 2230a_200000755171_100011214892 [0,2,0,0,0,0|2,0,0]=4 9317 B12R0.349 CCC(C)(C)N(C)CCCC(C)C 269982a_200000755171_100011214892 [0,2,0,0,0,0|2,0,0]=4 9318 B12R0.349 CN(C)CCCN(C)C(C)(C)CO 269982a_100015204102_100000757444 [0,2,0,0,0,0|2,0,0]=4 9319 B12R0.677 CCC(CC)C(C)NCCC(C)C 269862a_100000210545_100011393642 [0,2,0,0,0,0|2,0,0]=4 9320 B12R0.677 CCC(CC)C(C)NCCC(C)C 270004a_100000210545_100011393642 [0,2,0,0,0,0|2,0,0]=4 9321 B12R0.677 CCC(CC)N(C)CCCC(C)C 2230a_100000737045_100011214892 [0,2,0,0,0,0|2,0,0]=4 9322 B12R0.677 CCC(CC)N(C)CCCC(C)C 269982a_100000737045_100011214892 [0,2,0,0,0,0|2,0,0]=4 9323 B12R0.677 CCN(CC)C(C)CCCC(C)C 270004a_100000724800_100000753411 [0,2,0,0,0,0|2,0,0]=4 9324 B12R0.44 C=C(C)CCC(C)NCCC(C)C 270004a_100000210545_100011215600 [0,2,0,0,0,0|2,0,0]=4 9325 B12R0.44 C=C(C)CNC(C)CCCC(C)C 2230a_100000210607_100000748629 [0,2,0,0,0,0|1,0,1]=4 9326 B12R0.44 C=C(C)COC(C)CCCC(C)C 34a_200011218570_100000748629 [0,2,0,0,0,0|1,0,1]=4 9327 B12R0.44 C=C(C)COC(C)CCCC(C)C 7a_200011218570_100000748629 [0,2,0,0,0,0|1,0,1]=4 9328 B12R0.44 C=C(F)CNC(C)CCCC(C)C 2230a_100000210607_100009893438 [0,2,0,0,0,0|1,0,1]=4 9329 B12R0.44 C=C(F)COC(C)CCCC(C)C 34a_200011218570_100009893438 [0,2,0,0,0,0|1,0,1]=4 9330 B12R0.44 C=C(F)COC(C)CCCC(C)C 7a_200011218570_100000042424 [0,2,0,0,0,0|1,0,1]=4 9331 B12R0.44 CC(=CCCC(C)NCC(C)O)C 270004a_100000210904_100000765506 [0,2,0,0,0,0|0,0,2]=4 9332 B12R0.44 CC(=CCCC(C)OCC(C)O)C 34a_100102619829_100011218427 [0,2,0,0,0,0|0,0,2]=4 9333 B12R0.44 CC(=CCCC(C)OCC(C)O)C 7a_100102619829_100011218427 [0,2,0,0,0,0|0,0,2]=4 9334 B12R0.44 CC(=CCCC(C)OC[C@@H](C)O)C 34a_100102619829_100009817552 [0,2,0,0,0,0|0,0,2]=4 9335 B12R0.44 CC(=CCCC(C)OC[C@@H](C)O)C 7a_100102619829_100009817552 [0,2,0,0,0,0|0,0,2]=4 9336 B12R0.44 CC(=O)CCC(C)CCCC(C)C 1458a_100000070787_100009816328 [0,2,0,0,0,0|0,0,1]=3 9337 B12R0.44 CC(C)CCCC(=O)CCC(C)O 1458a_100011216857_100012276601 [0,2,0,0,0,0|1,0,1]=4 9338 B12R0.44 CC(C)CCCC(=O)NCC(C)O 11a_100000210904_100011216857 [0,2,0,0,0,0|1,0,1]=4 9339 B12R0.44 CC(C)CCCC(=O)NCC(C)O 240690a_100000210904_100011216857 [0,2,0,0,0,0|1,0,1]=4 9340 B12R0.44 CC(C)CCCC(=O)NCC(C)O 527a_100000210904_100011216857 [0,2,0,0,0,0|1,0,1]=4 9341 B12R0.44 CC(C)CCCC(C)CCN(C)C 2230a_100102631434_100009816328 [0,2,0,0,0,0|1,0,0]=3 9342 B12R0.44 CC(C)CCCC(C)CCN(C)C 269982a_100102631434_100009816328 [0,2,0,0,0,0|1,0,0]=3 9343 B12R0.44 CC(C)CCCC(C)NCC(=O)N 2230a_100000210607_100000747473 [0,2,0,0,0,0|0,0,2]=4 9344 B12R0.44 CC(C)CCCC(C)NCC(C)C 2230a_100000210607_100000210760 [0,2,0,0,0,0|1,0,0]=3 9345 B12R0.44 CC(C)CCCC(C)NCC(C)C 270004a_100000210607_100000210432 [0,2,0,0,0,0|1,0,0]=3 9346 B12R0.44 CC(C)CCCC(C)NCC(C)C 270004a_100000210953_100000753411 [0,2,0,0,0,0|1,0,0]=3 9347 B12R0.44 CC(C)CCCC(C)NCC(C)O 2230a_100000210607_100011218427 [0,2,0,0,0,0|0,0,0]=2 9348 B12R0.44 CC(C)CCCC(C)NCC(C)O 270004a_100000210904_100000753411 [0,2,0,0,0,0|0,0,0]=2 9349 B12R0.44 CC(C)CCCC(C)NCC(F)F 2230a_100000210607_100011934356 [0,2,0,0,0,0|1,0,0]=3 9350 B12R0.44 CC(C)CCCC(C)NCC(F)F 270004a_100000765723_100000753411 [0,2,0,0,0,0|1,0,0]=3 9351 B12R0.44 CC(C)CCCC(C)NC[C@@H](C)O 2230a_100000210607_100009817552 [0,2,0,0,0,0|0,0,0]=2 9352 B12R0.44 CC(C)CCCC(C)OCC(=O)N 34a_200011218570_100000187820 [0,2,0,0,0,0|0,0,2]=4 9353 B12R0.44 CC(C)CCCC(C)OCC(=O)N 7a_200011218570_100000187820 [0,2,0,0,0,0|0,0,2]=4 9354 B12R0.44 CC(C)CCCC(C)OCC(=O)[O-] 34a_200011218570_100020667443 [0,2,0,0,0,0|0,0,2]=4 9355 B12R0.44 CC(C)CCCC(C)OCC(C)C 34a_200011218570_100000210624 [0,2,0,0,0,0|1,0,0]=3 9356 B12R0.44 CC(C)CCCC(C)OCC(C)C 7a_200011218570_100000210760 [0,2,0,0,0,0|1,0,0]=3 9357 B12R0.44 CC(C)CCCC(C)OCC(C)O 34a_200011218570_100011218427 [0,2,0,0,0,0|0,0,0]=2 9358 B12R0.44 CC(C)CCCC(C)OCC(C)O 7a_200011218570_100011218427 [0,2,0,0,0,0|0,0,0]=2 9359 B12R0.44 CC(C)CCCC(C)OCC(F)F 34a_200011218570_100011934356 [0,2,0,0,0,0|1,0,0]=3 9360 B12R0.44 CC(C)CCCC(C)OCC(F)F 7a_200011218570_100011934356 [0,2,0,0,0,0|1,0,0]=3 9361 B12R0.44 CC(C)CCCC(C)OC[C@@H](C)O 34a_200011218570_100009817552 [0,2,0,0,0,0|0,0,0]=2 9362 B12R0.44 CC(C)CCCC(C)OC[C@@H](C)O 7a_200011218570_100009817552 [0,2,0,0,0,0|0,0,0]=2 9363 B12R0.44 CC(C)CCCC(C)OC[N+](=O)[O-] 34a_200011218570_100000761209 [0,2,0,0,0,0|1,0,1]=4 9364 B12R0.44 CC(C)CCCN(C)CCC(=O)N 2230a_100000730477_100011214892 [0,2,0,0,0,0|1,0,1]=4 9365 B12R0.44 CC(C)CCCN(C)CCC(C)C 2230a_100000742789_100011214892 [0,2,0,0,0,0|2,0,0]=4 9366 B12R0.44 CC(C)CCCN(C)CCC(C)C 269982a_100000742789_100011214892 [0,2,0,0,0,0|2,0,0]=4 9367 B12R0.44 CC(C)CCCN(C)CCN(C)C 269982a_100000225618_100011214892 [0,2,0,0,0,0|2,0,0]=4 9368 B12R0.44 CC(C)CCNC(C)CCC(C)C 2230a_100138410893_100000210312 [0,2,0,0,0,0|2,0,0]=4 9369 B12R0.44 CC(C)CCNC(C)CCC(C)C 269862a_100138410893_100000185833 [0,2,0,0,0,0|2,0,0]=4 9370 B12R0.44 CC(C)CCNC(C)CCC(C)C 270004a_100000210545_100000210476 [0,2,0,0,0,0|2,0,0]=4 9371 B12R0.44 CC(C)CCOC(C)CCC(C)C 34a_100000210254_100011261404 [0,2,0,0,0,0|2,0,0]=4 9372 B12R0.44 CC(C)CCOC(C)CCC(C)C 34a_100011215350_100000210312 [0,2,0,0,0,0|2,0,0]=4 9373 B12R0.44 CC(C)CCOC(C)CCC(C)C 7a_100011215350_100000210626 [0,2,0,0,0,0|2,0,0]=4 9374 B12R0.44 CC(C)CCSC(C)CCC(C)C 62a_100000210312_100011261404 [0,2,0,0,0,0|2,0,0]=4 9375 B12R0.44 CC(C)CCSC(C)CCC(C)C 62a_100011261404_100000210312 [0,2,0,0,0,0|2,0,0]=4 9376 B12R0.44 CC(C)CNC(C)CCOC(C)C 270004a_100000210953_200011219172 [0,2,0,0,0,0|2,0,0]=4 9377 B12R0.44 CC(CCOC(C)C)NCC(F)F 270004a_100000765723_200011219172 [0,2,0,0,0,0|2,0,0]=4 9378 B12R0.44 CC(O)CCN(C)CCCN(C)C 269982a_100000225831_100012276601 [0,2,0,0,0,0|2,0,0]=4 9379 B12R0.44 CC(O)CNC(C)CCOC(C)C 270004a_100000210904_200011219172 [0,2,0,0,0,0|1,0,0]=3 9380 B12R0.102 C=CCCC(C)NCCC(C)CC 270004a_100020591266_100000762624 [0,2,0,0,0,0|2,0,0]=4 9381 B12R0.102 C=CCCC(C)NCCC(C)CO 270004a_106354213184_100000762624 [0,2,0,0,0,0|2,0,0]=4 9382 B12R0.102 CCC(C)CCNC(C)CCOC 270004a_100020591266_100000742357 [0,2,0,0,0,0|1,0,0]=3 9383 B12R0.102 CCC(C)CCNC(C)CCSC 270004a_100020591266_100011217047 [0,2,0,0,0,0|1,1,0]=4 9384 B12R0.102 CCC(C)CNC[C@H](C)CCCO 2230a_100160569302_100000748023 [0,2,0,0,0,0|1,0,0]=3 9385 B12R0.102 CCC(C)CNC[C@H](C)CCCO 270004a_100160569302_100000243153 [0,2,0,0,0,0|1,0,0]=3 9386 B12R0.102 CCC(C)CNC[C@H](C)CCCO 34a_100160569302_100000748023 [0,2,0,0,0,0|1,0,0]=3 9387 B12R0.102 CCC(C)COC[C@@H](C)OCOC 34a_100016172286_100000748023 [0,2,0,0,0,0|2,0,0]=4 9388 B12R0.102 CCC(C)COC[C@@H](C)OCOC 7a_100016172286_100000748023 [0,2,0,0,0,0|2,0,0]=4 9389 B12R0.102 CCC(O)CNC[C@H](C)CCCO 2230a_100160569302_100011218378 [0,2,0,0,0,0|2,0,0]=4 9390 B12R0.102 CCC(O)CNC[C@H](C)CCCO 34a_100160569302_100011218378 [0,2,0,0,0,0|2,0,0]=4 9391 B12R0.102 CCCCC(C)COCC(C)CC 34a_100011995851_100000748023 [0,2,0,0,0,0|2,0,0]=4 9392 B12R0.102 CCCCC(C)COCC(C)CC 7a_100011995851_100000748023 [0,2,0,0,0,0|2,0,0]=4 9393 B12R0.102 CCCCC(C)COC[C@@H](C)CC 34a_100011995851_100009816398 [0,2,0,0,0,0|2,0,0]=4 9394 B12R0.102 CCCCC(C)COC[C@@H](C)CC 7a_100011995851_100009816398 [0,2,0,0,0,0|2,0,0]=4 9395 B12R0.102 CCCCC(C)COC[C@@H](C)CO 34a_100011995851_100000059175 [0,2,0,0,0,0|2,0,0]=4 9396 B12R0.102 CCCCC(C)COC[C@@H](C)CO 7a_100011995851_100000059175 [0,2,0,0,0,0|2,0,0]=4 9397 B12R0.102 CCCCC(C)NCCC(C)CC 2230a_100020591266_200011215066 [0,2,0,0,0,0|2,0,0]=4 9398 B12R0.102 CCCCC(C)NCCC(C)CC 270004a_100020591266_100000210087 [0,2,0,0,0,0|2,0,0]=4 9399 B12R0.102 CCCCC(C)NCCC(C)CO 2230a_106354213184_200011215066 [0,2,0,0,0,0|2,0,0]=4 9400 B12R0.102 CCCCC(C)NCCC(C)CO 270004a_106354213184_100000210087 [0,2,0,0,0,0|2,0,0]=4 9401 B12R0.102 CCCCC(C)NCCC(C)CO 34a_106354213184_200011215066 [0,2,0,0,0,0|2,0,0]=4 9402 B12R0.102 CCCCC(C)OCCC(C)CC 7a_100011215188_200011215066 [0,2,0,0,0,0|2,0,0]=4 9403 B12R0.102 CCCCC(C)OCCC(C)OC 7a_100000764861_200011215066 [0,2,0,0,0,0|2,0,0]=4 9404 B12R0.102 CCCOC(C)CNCC(C)CC 2230a_100015185124_100000748023 [0,2,0,0,0,0|2,0,0]=4 9405 B12R0.102 CCCOC(C)CNCC(C)CC 270004a_100015185124_100000243153 [0,2,0,0,0,0|2,0,0]=4 9406 B12R0.102 CCCOC(C)CNCC(C)CC 34a_100015185124_100000748023 [0,2,0,0,0,0|2,0,0]=4 9407 B12R0.102 CCCOC(C)CNC[C@@H](C)CC 2230a_100015185124_100009816398 [0,2,0,0,0,0|2,0,0]=4 9408 B12R0.102 CCCOC(C)CNC[C@@H](C)CC 34a_100015185124_100009816398 [0,2,0,0,0,0|2,0,0]=4 9409 B12R0.102 CCCOC(C)CNC[C@@H](C)CO 2230a_100015185124_100000059175 [0,2,0,0,0,0|2,0,0]=4 9410 B12R0.102 CCCOC(C)CNC[C@@H](C)CO 34a_100015185124_100000059175 [0,2,0,0,0,0|2,0,0]=4 9411 B12R0.102 CCN(C)CCCN(C)CCCO 2230a_100000213112_100015186262 [0,2,0,0,0,0|2,0,0]=4 9412 B12R0.102 CCN(C)CCCN(C)CCCO 269982a_100000213112_100015186262 [0,2,0,0,0,0|2,0,0]=4 9413 B12R0.102 CCN(C)CCCN(C)CCOC 2230a_100000743101_100015186262 [0,2,0,0,0,0|2,0,0]=4 9414 B12R0.102 CCN(C)CCCN(C)CCOC 269982a_100000743101_100015186262 [0,2,0,0,0,0|2,0,0]=4 9415 B12R0.102 CCSCC(C)NCCC(C)CC 270004a_100020591266_200011216171 [0,2,0,0,0,0|2,0,0]=4 9416 B12R0.102 CCSCC(C)NCCC(C)CO 270004a_106354213184_200011216171 [0,2,0,0,0,0|2,0,0]=4 9417 B12R0.102 CC[C@H](C)CNC[C@H](C)CCCO 2230a_100160569302_100009816398 [0,2,0,0,0,0|1,0,0]=3 9418 B12R0.102 CC[C@H](C)CNC[C@H](C)CCCO 34a_100160569302_100009816398 [0,2,0,0,0,0|1,0,0]=3 9419 B12R0.102 CC[C@H](C)COC[C@@H](C)OCOC 34a_100016172286_100009816398 [0,2,0,0,0,0|2,0,0]=4 9420 B12R0.102 CC[C@H](C)COC[C@@H](C)OCOC 7a_100016172286_100009816398 [0,2,0,0,0,0|2,0,0]=4 9421 B12R0.102 COCCC(C)NCCC(C)CO 270004a_106354213184_100000742357 [0,2,0,0,0,0|1,0,0]=3 9422 B12R0.102 COCO[C@H](C)COC[C@@H](C)CO 34a_100016172286_100000059175 [0,2,0,0,0,0|2,0,0]=4 9423 B12R0.102 COCO[C@H](C)COC[C@@H](C)CO 7a_100016172286_100000059175 [0,2,0,0,0,0|2,0,0]=4 9424 B12R0.102 CSCCC(C)NCCC(C)CO 270004a_106354213184_100011217047 [0,2,0,0,0,0|1,1,0]=4 9425 B12R0.102 C[C@H](CCCO)CNCC(O)CO 2230a_100160569302_100011219619 [0,2,0,0,0,0|2,0,0]=4 9426 B12R0.102 C[C@H](CCCO)CNCC(O)CO 34a_100160569302_100011219619 [0,2,0,0,0,0|2,0,0]=4 9427 B12R0.102 C[C@H](CCCO)CNC[C@@H](C)CO 2230a_100160569302_100000059175 [0,2,0,0,0,0|1,0,0]=3 9428 B12R0.102 C[C@H](CCCO)CNC[C@@H](C)CO 34a_100160569302_100000059175 [0,2,0,0,0,0|1,0,0]=3 9429 B12R0.102 C[C@H](CCCO)CNC[C@@H](O)CF 2230a_100160569302_100015614560 [0,2,0,0,0,0|2,0,0]=4 9430 B12R0.102 C[C@H](CCCO)CNC[C@@H](O)CF 34a_100160569302_100015614560 [0,2,0,0,0,0|2,0,0]=4 9431 B12R0.102 C[C@H](CCCO)CNC[C@@H](O)CO 2230a_100160569302_100009815848 [0,2,0,0,0,0|2,0,0]=4 9432 B12R0.102 C[C@H](CCCO)CNC[C@@H](O)CO 34a_100160569302_100009815848 [0,2,0,0,0,0|2,0,0]=4 9433 B12R0.104 C=CCCC(C)NCCC(C)(C)C 270004a_100000738805_100000762624 [0,2,0,0,0,0|2,0,0]=4 9434 B12R0.104 C=CCCC(C)NCCC(C)(C)F 270004a_100016253952_100000762624 [0,2,0,0,0,0|2,0,0]=4 9435 B12R0.104 C=CCCC(C)NCCC(C)(C)O 270004a_100000707701_100000762624 [0,2,0,0,0,0|2,0,0]=4 9436 B12R0.104 C=CCCC(C)OCCC(C)(C)C 34a_100000765329_100000755188 [0,2,0,0,0,0|2,0,0]=4 9437 B12R0.104 C=CCCC(C)OCCC(C)(C)C 7a_100000765329_100000755188 [0,2,0,0,0,0|2,0,0]=4 9438 B12R0.104 C=CCCC(C)OCCC(C)(C)O 34a_100000765329_100000702414 [0,2,0,0,0,0|2,0,0]=4 9439 B12R0.104 C=CCCC(C)OCCC(C)(C)O 7a_100000765329_100000702414 [0,2,0,0,0,0|2,0,0]=4 9440 B12R0.104 C=CCCN(C)CCCC(C)(C)O 2230a_100020639649_100009888830 [0,2,0,0,0,0|2,0,0]=4 9441 B12R0.104 C=CCCN(C)CCCC(C)(C)O 269982a_100020639649_100009888830 [0,2,0,0,0,0|2,0,0]=4 9442 B12R0.104 CC(CCCCl)OCCC(C)(C)C 34a_200000718107_100000755188 [0,2,0,0,0,0|2,0,0]=4 9443 B12R0.104 CC(CCCCl)OCCC(C)(C)C 7a_200000718107_100000755188 [0,2,0,0,0,0|2,0,0]=4 9444 B12R0.104 CC(CCCCl)OCCC(C)(C)O 34a_200000718107_100000702414 [0,2,0,0,0,0|2,0,0]=4 9445 B12R0.104 CC(CCCCl)OCCC(C)(C)O 7a_200000718107_100000702414 [0,2,0,0,0,0|2,0,0]=4 9446 B12R0.104 CCCCC(C)COCC(C)(C)C 34a_100011995851_100011219605 [0,2,0,0,0,0|2,0,0]=4 9447 B12R0.104 CCCCC(C)COCC(C)(C)F 34a_100011995851_100011997219 [0,2,0,0,0,0|2,0,0]=4 9448 B12R0.104 CCCCC(C)COCC(C)(C)O 34a_100011995851_100000764493 [0,2,0,0,0,0|2,0,0]=4 9449 B12R0.104 CCCCC(C)COCC(C)(C)O 7a_100011995851_100000764493 [0,2,0,0,0,0|2,0,0]=4 9450 B12R0.104 CCCCC(C)NCCC(C)(C)C 2230a_100000126638_100000755188 [0,2,0,0,0,0|2,0,0]=4 9451 B12R0.104 CCCCC(C)NCCC(C)(C)C 2230a_100000738805_200011215066 [0,2,0,0,0,0|2,0,0]=4 9452 B12R0.104 CCCCC(C)NCCC(C)(C)C 270004a_100000738805_100000210087 [0,2,0,0,0,0|2,0,0]=4 9453 B12R0.104 CCCCC(C)NCCC(C)(C)F 2230a_100016253952_200011215066 [0,2,0,0,0,0|2,0,0]=4 9454 B12R0.104 CCCCC(C)NCCC(C)(C)F 270004a_100016253952_100000210087 [0,2,0,0,0,0|2,0,0]=4 9455 B12R0.104 CCCCC(C)NCCC(C)(C)O 2230a_100000126638_100000702414 [0,2,0,0,0,0|2,0,0]=4 9456 B12R0.104 CCCCC(C)NCCC(C)(C)O 270004a_100000707701_100000210087 [0,2,0,0,0,0|2,0,0]=4 9457 B12R0.104 CCCCC(C)OCCC(C)(C)C 34a_100000687866_100000755188 [0,2,0,0,0,0|2,0,0]=4 9458 B12R0.104 CCCCC(C)OCCC(C)(C)C 7a_100000687866_100000755188 [0,2,0,0,0,0|2,0,0]=4 9459 B12R0.104 CCCCC(C)OCCC(C)(C)C 7a_100000765024_200011215066 [0,2,0,0,0,0|2,0,0]=4 9460 B12R0.104 CCCCC(C)OCCC(C)(C)O 34a_100000687866_100000702414 [0,2,0,0,0,0|2,0,0]=4 9461 B12R0.104 CCCCC(C)OCCC(C)(C)O 7a_100000687866_100000702414 [0,2,0,0,0,0|2,0,0]=4 9462 B12R0.104 CCCCC(C)SCCC(C)(C)C 62a_100000755188_200011215066 [0,2,0,0,0,0|2,0,0]=4 9463 B12R0.104 CCCCC(C)SCCC(C)(C)C 62a_200011215066_100000755188 [0,2,0,0,0,0|2,0,0]=4 9464 B12R0.104 CCCCC(C)SCCC(C)(C)O 62a_100000702414_200011215066 [0,2,0,0,0,0|2,0,0]=4 9465 B12R0.104 CCCCC(C)SCCC(C)(C)O 62a_200011215066_100000702414 [0,2,0,0,0,0|2,0,0]=4 9466 B12R0.104 CCCCN(C)CCCC(C)(C)O 2230a_100000207549_100009888830 [0,2,0,0,0,0|2,0,0]=4 9467 B12R0.104 CCCCN(C)CCCC(C)(C)O 269982a_100000207549_100009888830 [0,2,0,0,0,0|2,0,0]=4 9468 B12R0.104 CCCOC(C)CNCC(C)(C)C 270004a_100015185124_100011204126 [0,2,0,0,0,0|2,0,0]=4 9469 B12R0.104 CCCOC(C)CNCC(C)(C)C 34a_100015185124_100011219605 [0,2,0,0,0,0|2,0,0]=4 9470 B12R0.104 CCCOC(C)CNCC(C)(C)F 34a_100015185124_100011997219 [0,2,0,0,0,0|2,0,0]=4 9471 B12R0.104 CCCOC(C)CNCC(C)(C)O 34a_100015185124_100000764493 [0,2,0,0,0,0|2,0,0]=4 9472 B12R0.104 CCOCC(C)OCCC(C)(C)C 34a_100000718985_100000755188 [0,2,0,0,0,0|2,0,0]=4 9473 B12R0.104 CCOCC(C)OCCC(C)(C)C 7a_100000718985_100000755188 [0,2,0,0,0,0|2,0,0]=4 9474 B12R0.104 CCOCC(C)OCCC(C)(C)O 34a_100000718985_100000702414 [0,2,0,0,0,0|2,0,0]=4 9475 B12R0.104 CCOCC(C)OCCC(C)(C)O 7a_100000718985_100000702414 [0,2,0,0,0,0|2,0,0]=4 9476 B12R0.104 CCSCC(C)NCCC(C)(C)C 270004a_100000738805_200011216171 [0,2,0,0,0,0|2,0,0]=4 9477 B12R0.104 CCSCC(C)NCCC(C)(C)F 270004a_100016253952_200011216171 [0,2,0,0,0,0|2,0,0]=4 9478 B12R0.104 CCSCC(C)NCCC(C)(C)O 270004a_100000707701_200011216171 [0,2,0,0,0,0|2,0,0]=4 9479 B12R0.104 CN(CCC#N)CCCC(C)(C)O 2230a_100000184479_100009888830 [0,2,0,0,0,0|2,0,0]=4 9480 B12R0.104 CN(CCCO)CCCC(C)(C)O 2230a_100000213112_100009888830 [0,2,0,0,0,0|1,0,0]=3 9481 B12R0.104 CN(CCCO)CCCC(C)(C)O 269982a_100000213112_100009888830 [0,2,0,0,0,0|1,0,0]=3 9482 B12R0.104 CN(CCCO)CCC[N+](C)(C)C 2230a_100000213112_100016990835 [0,2,0,0,0,0|2,0,0]=4 9483 B12R0.104 CN(CCCO)CCC[N+](C)(C)C 269982a_100000213112_100016990835 [0,2,0,0,0,0|2,0,0]=4 9484 B12R0.104 CN(CCCO)CCC[Si](C)(C)C 2230a_100000213112_100011219597 [0,2,0,0,0,0|1,1,0]=4 9485 B12R0.104 CN(CCCO)CCC[Si](C)(C)C 269982a_100000213112_100011219597 [0,2,0,0,0,0|1,1,0]=4 9486 B12R0.104 CN(CCCO)CCOC(C)(C)C 2230a_100000690421_100000230001 [0,2,0,0,0,0|2,0,0]=4 9487 B12R0.104 CN(CCCO)CCOC(C)(C)C 269982a_100000690421_100011215043 [0,2,0,0,0,0|2,0,0]=4 9488 B12R0.104 COCCC(C)NCCC(C)(C)C 270004a_100000738805_100000742357 [0,2,0,0,0,0|1,0,0]=3 9489 B12R0.104 COCCC(C)NCCC(C)(C)F 270004a_100016253952_100000742357 [0,2,0,0,0,0|1,0,0]=3 9490 B12R0.104 COCCC(C)NCCC(C)(C)O 270004a_100000707701_100000742357 [0,2,0,0,0,0|1,0,0]=3 9491 B12R0.104 COCCC(C)NCC[N+](C)(C)C 270004a_100000106457_100000742357 [0,2,0,0,0,0|2,0,0]=4 9492 B12R0.104 COCCN(C)CCCC(C)(C)O 2230a_100000743101_100009888830 [0,2,0,0,0,0|1,0,0]=3 9493 B12R0.104 COCCN(C)CCCC(C)(C)O 269982a_100000743101_100009888830 [0,2,0,0,0,0|1,0,0]=3 9494 B12R0.104 COCCN(C)CCC[N+](C)(C)C 2230a_100000743101_100016990835 [0,2,0,0,0,0|2,0,0]=4 9495 B12R0.104 COCCN(C)CCC[N+](C)(C)C 269982a_100000743101_100016990835 [0,2,0,0,0,0|2,0,0]=4 9496 B12R0.104 COCCN(C)CCC[Si](C)(C)C 2230a_100000743101_100011219597 [0,2,0,0,0,0|1,1,0]=4 9497 B12R0.104 COCCN(C)CCC[Si](C)(C)C 269982a_100000743101_100011219597 [0,2,0,0,0,0|1,1,0]=4 9498 B12R0.104 COCCN(C)CCOC(C)(C)C 2230a_100000690421_100011201679 [0,2,0,0,0,0|2,0,0]=4 9499 B12R0.104 COCCN(C)CCOC(C)(C)C 269982a_100000690421_100000233755 [0,2,0,0,0,0|2,0,0]=4 9500 B12R0.104 COCO[C@H](C)COCC(C)(C)C 34a_100016172286_100011219605 [0,2,0,0,0,0|2,0,0]=4 9501 B12R0.104 COCO[C@H](C)COCC(C)(C)F 34a_100016172286_100011997219 [0,2,0,0,0,0|2,0,0]=4 9502 B12R0.104 COCO[C@H](C)COCC(C)(C)O 34a_100016172286_100000764493 [0,2,0,0,0,0|2,0,0]=4 9503 B12R0.104 COCO[C@H](C)COCC(C)(C)O 7a_100016172286_100000764493 [0,2,0,0,0,0|2,0,0]=4 9504 B12R0.104 CSCCC(C)NCCC(C)(C)C 270004a_100000738805_100011217047 [0,2,0,0,0,0|1,1,0]=4 9505 B12R0.104 CSCCC(C)NCCC(C)(C)F 270004a_100016253952_100011217047 [0,2,0,0,0,0|1,1,0]=4 9506 B12R0.104 CSCCC(C)NCCC(C)(C)O 270004a_100000707701_100011217047 [0,2,0,0,0,0|1,1,0]=4 9507 B12R0.104 CSCCN(C)CCCC(C)(C)O 2230a_100000686725_100009888830 [0,2,0,0,0,0|1,1,0]=4 9508 B12R0.104 CSCCN(C)CCCC(C)(C)O 269982a_100000686725_100009888830 [0,2,0,0,0,0|1,1,0]=4 9509 B12R0.104 C[C@H](CCCO)CNCC(C)(C)C 270004a_100160569302_100011204126 [0,2,0,0,0,0|1,0,0]=3 9510 B12R0.104 C[C@H](CCCO)CNCC(C)(C)C 34a_100160569302_100011219605 [0,2,0,0,0,0|1,0,0]=3 9511 B12R0.104 C[C@H](CCCO)CNCC(C)(C)F 34a_100160569302_100011997219 [0,2,0,0,0,0|1,0,0]=3 9512 B12R0.104 C[C@H](CCCO)CNCC(C)(C)O 34a_100160569302_100000764493 [0,2,0,0,0,0|1,0,0]=3 9513 B12R0.104 C[C@H](CCCO)CNC[Si](C)(C)C 2230a_100160569302_100000037933 [0,2,0,0,0,0|1,1,0]=4 9514 B12R0.233 C#CCCNC(C)CCCC(C)C 2230a_100000210607_100000688953 [0,2,0,0,0,0|1,0,0]=3 9515 B12R0.233 C#CCCOC(C)CCCC(C)C 34a_200011218570_100000688953 [0,2,0,0,0,0|1,0,0]=3 9516 B12R0.233 C#CCCOC(C)CCCC(C)C 7a_200011218570_100000688953 [0,2,0,0,0,0|1,0,0]=3 9517 B12R0.233 C#CCOCC(C)OCCC(C)C 34a_100011025554_100000210312 [0,2,0,0,0,0|2,0,0]=4 9518 B12R0.233 C#CCOCC(C)OCCC(C)C 7a_100011025554_100000210626 [0,2,0,0,0,0|2,0,0]=4 9519 B12R0.233 C/C=C/COC(C)CCCC(C)C 34a_200011218570_100102629194 [0,2,0,0,0,0|1,0,1]=4 9520 B12R0.233 C/C=C/COC(C)CCCC(C)C 7a_200011218570_100102629194 [0,2,0,0,0,0|1,0,1]=4 9521 B12R0.233 C=CCCNC(C)CCCC(C)C 2230a_100000210607_100000754431 [0,2,0,0,0,0|1,0,0]=3 9522 B12R0.233 C=CCCNC(C)CCCC(C)C 270004a_100015191253_100000753411 [0,2,0,0,0,0|1,0,0]=3 9523 B12R0.233 C=CCCNC(C)CCOC(C)C 270004a_100015191253_200011219172 [0,2,0,0,0,0|2,0,0]=4 9524 B12R0.233 C=CCCOC(C)CCCC(C)C 34a_200011218570_100000754431 [0,2,0,0,0,0|1,0,0]=3 9525 B12R0.233 C=CCCOC(C)CCCC(C)C 7a_200011218570_100000754431 [0,2,0,0,0,0|1,0,0]=3 9526 B12R0.233 C=COCCC(=O)CCCC(C)C 1458a_100011216857_100000039644 [0,2,0,0,0,0|1,0,1]=4 9527 B12R0.233 C=COCCN(C)CCCN(C)C 269982a_100000225831_100000039644 [0,2,0,0,0,0|2,0,0]=4 9528 B12R0.233 CC#CCNC(C)CCCC(C)C 2230a_100000210607_100000748600 [0,2,0,0,0,0|1,0,1]=4 9529 B12R0.233 CC#CCOC(C)CCCC(C)C 34a_200011218570_100000748600 [0,2,0,0,0,0|1,0,1]=4 9530 B12R0.233 CC#CCOC(C)CCCC(C)C 7a_200011218570_100000748600 [0,2,0,0,0,0|1,0,1]=4 9531 B12R0.233 CC(=CCCC(C)CCOCF)C 34a_100000017536_100015361967 [0,2,0,0,0,0|0,0,2]=4 9532 B12R0.233 CC(=CCCC(C)CCOCF)C 7a_100000017536_100015361967 [0,2,0,0,0,0|0,0,2]=4 9533 B12R0.233 CC(=CCCC(C)CNCCO)C 270004a_100000210304_100000033009 [0,2,0,0,0,0|0,0,2]=4 9534 B12R0.233 CC(=CCCC(C)NCCCO)C 270004a_100000182051_100000765506 [0,2,0,0,0,0|0,0,2]=4 9535 B12R0.233 CC(=CCCC(C)OCCCO)C 34a_100102619829_100000230001 [0,2,0,0,0,0|0,0,2]=4 9536 B12R0.233 CC(=CCCC(C)OCCCO)C 7a_100102619829_100011215043 [0,2,0,0,0,0|0,0,2]=4 9537 B12R0.233 CC(=NNCCO)CCCC(C)C 4a_100000210001_100000753411 [0,2,0,0,0,0|0,0,1]=3 9538 B12R0.233 CC(=NNCCO)CCOC(C)C 4a_100000210001_200011219172 [0,2,0,0,0,0|1,0,1]=4 9539 B12R0.233 CC(C)CCCC(=O)CC#CCO 1458a_100011216857_200000047223 [0,2,0,0,0,0|1,0,1]=4 9540 B12R0.233 CC(C)CCCC(=O)CCCCO 1458a_100000695505_100011214892 [0,2,0,0,0,0|1,0,1]=4 9541 B12R0.233 CC(C)CCCC(=O)CCCCO 1458a_100011216857_100000210776 [0,2,0,0,0,0|1,0,1]=4 9542 B12R0.233 CC(C)CCCC(=O)COCCO 1458a_100000708028_100011214892 [0,2,0,0,0,0|1,0,1]=4 9543 B12R0.233 CC(C)CCCC(=O)NCCCO 240690a_100000182051_100011216857 [0,2,0,0,0,0|1,0,1]=4 9544 B12R0.233 CC(C)CCCC(=O)NCCCO 527a_100000182051_100011216857 [0,2,0,0,0,0|1,0,1]=4 9545 B12R0.233 CC(C)CCCC(=O)NNCCO 22a_100000210001_100011216857 [0,2,0,0,0,0|1,0,1]=4 9546 B12R0.233 CC(C)CCCC(C)CCOCF 34a_100000015991_100015361967 [0,2,0,0,0,0|0,0,0]=2 9547 B12R0.233 CC(C)CCCC(C)CCOCF 7a_100000015991_100015361967 [0,2,0,0,0,0|0,0,0]=2 9548 B12R0.233 CC(C)CCCC(C)CCSCF 62a_100009816328_100015361967 [0,2,0,0,0,0|0,1,0]=3 9549 B12R0.233 CC(C)CCCC(C)CCSCF 62a_100015361967_100009816328 [0,2,0,0,0,0|0,1,0]=3 9550 B12R0.233 CC(C)CCCC(C)NCCC#N 2230a_100000210607_100011215226 [0,2,0,0,0,0|1,0,0]=3 9551 B12R0.233 CC(C)CCCC(C)NCCC#N 270004a_100000720768_100000753411 [0,2,0,0,0,0|1,0,0]=3 9552 B12R0.233 CC(C)CCCC(C)NCCCF 2230a_100000210607_100011934791 [0,2,0,0,0,0|1,0,0]=3 9553 B12R0.233 CC(C)CCCC(C)NCCCF 270004a_100015189416_100000753411 [0,2,0,0,0,0|1,0,0]=3 9554 B12R0.233 CC(C)CCCC(C)NCCCO 2230a_100000210607_100000230001 [0,2,0,0,0,0|0,0,0]=2 9555 B12R0.233 CC(C)CCCC(C)NCCCO 270004a_100000182051_100000753411 [0,2,0,0,0,0|0,0,0]=2 9556 B12R0.233 CC(C)CCCC(C)OCCC#N 7a_200011218570_100000184422 [0,2,0,0,0,0|1,0,0]=3 9557 B12R0.233 CC(C)CCCC(C)OCCCF 34a_200011218570_100011934791 [0,2,0,0,0,0|1,0,0]=3 9558 B12R0.233 CC(C)CCCC(C)OCCCF 7a_200011218570_100011934791 [0,2,0,0,0,0|1,0,0]=3 9559 B12R0.233 CC(C)CCCC(C)OCCCO 34a_200011218570_100000230001 [0,2,0,0,0,0|0,0,0]=2 9560 B12R0.233 CC(C)CCCC(C)OCCCO 7a_200011218570_100011215043 [0,2,0,0,0,0|0,0,0]=2 9561 B12R0.233 CC(C)CCCN(C)CCCCO 2230a_100000717598_100011214892 [0,2,0,0,0,0|1,0,0]=3 9562 B12R0.233 CC(C)CCCN(C)CCCCO 269982a_100000717598_100011214892 [0,2,0,0,0,0|1,0,0]=3 9563 B12R0.233 CC(C)CCNC(C)CCCC#N 270004a_100000210545_200000032708 [0,2,0,0,0,0|2,0,0]=4 9564 B12R0.233 CC(C)OCCN(C)CCCCO 2230a_100000717598_100000211751 [0,2,0,0,0,0|2,0,0]=4 9565 B12R0.233 CC(C)OCCN(C)CCCCO 269982a_100000717598_100000211751 [0,2,0,0,0,0|2,0,0]=4 9566 B12R0.233 CC(C)SCCN(C)CCCCO 2230a_100000717598_100000730970 [0,2,0,0,0,0|2,0,0]=4 9567 B12R0.233 CC(C)SCCN(C)CCCCO 269982a_100000717598_100000730970 [0,2,0,0,0,0|2,0,0]=4 9568 B12R0.233 CC(CCOC(C)C)NCCC#N 270004a_100000720768_200011219172 [0,2,0,0,0,0|2,0,0]=4 9569 B12R0.233 CC(CCOC(C)C)NCCCF 270004a_100015189416_200011219172 [0,2,0,0,0,0|2,0,0]=4 9570 B12R0.233 CC(CCOC(C)C)NCCCO 270004a_100000182051_200011219172 [0,2,0,0,0,0|1,0,0]=3 9571 B12R0.233 CC(O)CCCN(C)CCCCO 2230a_100000717598_200000718107 [0,2,0,0,0,0|2,0,0]=4 9572 B12R0.233 CC(O)CCCN(C)CCCCO 269982a_100000717598_200000718107 [0,2,0,0,0,0|2,0,0]=4 9573 B12R0.233 CC=CCNC(C)CCCC(C)C 2230a_100000210607_100000070051 [0,2,0,0,0,0|1,0,1]=4 9574 B12R0.233 CC=CCOC(C)CCCC(C)C 34a_200011218570_100000070051 [0,2,0,0,0,0|1,0,1]=4 9575 B12R0.233 CC=CCOC(C)CCCC(C)C 7a_200011218570_100000070051 [0,2,0,0,0,0|1,0,1]=4 9576 B12R0.233 CCC#CCC(C)OCCC(C)C 34a_200000035118_100000210312 [0,2,0,0,0,0|2,0,0]=4 9577 B12R0.233 CCC#CCC(C)OCCC(C)C 7a_200000035118_100000210626 [0,2,0,0,0,0|2,0,0]=4 9578 B12R0.233 CCCCCC(C)NCCC(C)C 2230a_100000211957_100000210312 [0,2,0,0,0,0|2,0,0]=4 9579 B12R0.233 CCCCCC(C)NCCC(C)C 269862a_100000211957_100000185833 [0,2,0,0,0,0|2,0,0]=4 9580 B12R0.233 CCCCCC(C)NCCC(C)C 270004a_100000210545_100000211708 [0,2,0,0,0,0|2,0,0]=4 9581 B12R0.233 CCCCCC(C)OCCC(C)C 34a_100000210254_200011218191 [0,2,0,0,0,0|2,0,0]=4 9582 B12R0.233 CCCCCC(C)OCCC(C)C 34a_100011215632_100000210312 [0,2,0,0,0,0|2,0,0]=4 9583 B12R0.233 CCCCCC(C)OCCC(C)C 7a_100000210254_200011218191 [0,2,0,0,0,0|2,0,0]=4 9584 B12R0.233 CCCCCC(C)OCCC(C)C 7a_100011215632_100000210626 [0,2,0,0,0,0|2,0,0]=4 9585 B12R0.233 CCCCCC(C)SCCC(C)C 62a_100000210312_200011218191 [0,2,0,0,0,0|2,0,0]=4 9586 B12R0.233 CCCCCC(C)SCCC(C)C 62a_200011218191_100000210312 [0,2,0,0,0,0|2,0,0]=4 9587 B12R0.233 CCCCCN(C)CCCC(C)C 2230a_100000223495_100011214892 [0,2,0,0,0,0|2,0,0]=4 9588 B12R0.233 CCCCCN(C)CCCC(C)C 269982a_100000223495_100011214892 [0,2,0,0,0,0|2,0,0]=4 9589 B12R0.233 CCCCNC(C)CCCC(C)C 2230a_100000210607_100000210211 [0,2,0,0,0,0|1,0,0]=3 9590 B12R0.233 CCCCNC(C)CCCC(C)C 270004a_100000102301_100000753411 [0,2,0,0,0,0|1,0,0]=3 9591 B12R0.233 CCCCNC(C)CCOC(C)C 270004a_100000102301_200011219172 [0,2,0,0,0,0|2,0,0]=4 9592 B12R0.233 CCCCOC(C)CCCC(C)C 34a_200011218570_100000210210 [0,2,0,0,0,0|1,0,0]=3 9593 B12R0.233 CCCCOC(C)CCCC(C)C 7a_200011218570_100000210211 [0,2,0,0,0,0|1,0,0]=3 9594 B12R0.233 CCCNN=C(C)CCCC(C)C 4a_100000740057_100000753411 [0,2,0,0,0,0|1,0,1]=4 9595 B12R0.233 CCCSCC(C)NCCC(C)C 270004a_100000210545_100011343953 [0,2,0,0,0,0|2,0,0]=4 9596 B12R0.233 CCNCCC(C)CCCC(C)C 2230a_100015525214_100009816328 [0,2,0,0,0,0|1,0,0]=3 9597 B12R0.233 CCNCCC(C)CCCC(C)C 2230a_102516457229_100000210202 [0,2,0,0,0,0|1,0,0]=3 9598 B12R0.233 CCOCCC(=O)CCCC(C)C 1458a_100000749530_100011214892 [0,2,0,0,0,0|1,0,1]=4 9599 B12R0.233 CCOCCC(=O)CCCC(C)C 1458a_100011216857_100011215890 [0,2,0,0,0,0|1,0,1]=4 9600 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100000017536_100000210202 [0,2,0,0,0,0|0,0,2]=4 9601 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100121572206_100009814015 [0,2,0,0,0,0|0,0,2]=4 9602 B12R0.233 CCOCCC(C)CCC=C(C)C 7a_100000017536_100000210202 [0,2,0,0,0,0|0,0,2]=4 9603 B12R0.233 CCOCCC(C)CCCC(C)C 34a_100000015991_100000210202 [0,2,0,0,0,0|0,0,0]=2 9604 B12R0.233 CCOCCC(C)CCCC(C)C 34a_100121572206_100009816328 [0,2,0,0,0,0|0,0,0]=2 9605 B12R0.233 CCOCCC(C)CCCC(C)C 7a_100000015991_100000210202 [0,2,0,0,0,0|0,0,0]=2 9606 B12R0.233 CCOCCC(C)NCCC(C)C 270004a_100000210545_200011216536 [0,2,0,0,0,0|1,0,0]=3 9607 B12R0.233 CCOCCC(C)NCCC(C)O 270004a_200000755665_200011216536 [0,2,0,0,0,0|2,0,0]=4 9608 B12R0.233 CCOCCC(C)NCCN(C)C 270004a_100000210585_200011216536 [0,2,0,0,0,0|2,0,0]=4 9609 B12R0.233 CCOCCN(C)CCCN(C)C 269982a_100000225831_100011215890 [0,2,0,0,0,0|2,0,0]=4 9610 B12R0.233 CCSCCC(C)CCCC(C)C 62a_100000210202_100009816328 [0,2,0,0,0,0|0,1,0]=3 9611 B12R0.233 CCSCCC(C)CCCC(C)C 62a_100009816328_100000210202 [0,2,0,0,0,0|0,1,0]=3 9612 B12R0.233 CN(C)CCCN(C)CCCCO 269982a_100000225831_100000210776 [0,2,0,0,0,0|2,0,0]=4 9613 B12R0.233 CN(C)CCCN(C)CCCCO 269982a_100000717598_100000757444 [0,2,0,0,0,0|2,0,0]=4 9614 B12R0.233 COCCCC(=O)CCCC(C)C 1458a_100000741012_100011214892 [0,2,0,0,0,0|1,0,1]=4 9615 B12R0.233 COCCCC(=O)CCCC(C)C 1458a_100011216857_100000740836 [0,2,0,0,0,0|1,0,1]=4 9616 B12R0.233 COCCCC(C)OCCC(C)C 34a_200011539412_100000210312 [0,2,0,0,0,0|1,0,0]=3 9617 B12R0.233 COCCCC(C)OCCC(C)C 7a_200011539412_100000210626 [0,2,0,0,0,0|1,0,0]=3 9618 B12R0.233 COCCCC(C)OCCC(C)O 34a_200011539412_100012276601 [0,2,0,0,0,0|2,0,0]=4 9619 B12R0.233 COCCCC(C)OCCC(C)O 7a_200011539412_100012276601 [0,2,0,0,0,0|2,0,0]=4 9620 B12R0.233 COCCCC(C)OCCN(C)C 7a_200011539412_100000755713 [0,2,0,0,0,0|2,0,0]=4 9621 B12R0.233 COCCCC(C)OCOC(C)C 34a_200011539412_100000709892 [0,2,0,0,0,0|2,0,0]=4 9622 B12R0.233 COCCCN(C)CCCC(C)C 2230a_100000224831_100011214892 [0,2,0,0,0,0|1,0,0]=3 9623 B12R0.233 COCCCN(C)CCCC(C)C 269982a_100000224831_100011214892 [0,2,0,0,0,0|1,0,0]=3 9624 B12R0.233 COCCCN(C)CCCC(C)O 2230a_100000224831_200000718107 [0,2,0,0,0,0|2,0,0]=4 9625 B12R0.233 COCCCN(C)CCCC(C)O 269982a_100000224831_200000718107 [0,2,0,0,0,0|2,0,0]=4 9626 B12R0.233 COCCCN(C)CCCN(C)C 269982a_100000224831_100000757444 [0,2,0,0,0,0|2,0,0]=4 9627 B12R0.233 COCCCN(C)CCCN(C)C 269982a_100000225831_100000740836 [0,2,0,0,0,0|2,0,0]=4 9628 B12R0.233 COCCCN(C)CCOC(C)C 2230a_100000224831_100000211751 [0,2,0,0,0,0|2,0,0]=4 9629 B12R0.233 COCCCN(C)CCOC(C)C 269982a_100000224831_100000211751 [0,2,0,0,0,0|2,0,0]=4 9630 B12R0.233 COCCCN(C)CCSC(C)C 2230a_100000224831_100000730970 [0,2,0,0,0,0|2,0,0]=4 9631 B12R0.233 COCCCN(C)CCSC(C)C 269982a_100000224831_100000730970 [0,2,0,0,0,0|2,0,0]=4 9632 B12R0.233 COCCNC(=O)CCCC(C)C 1626a_100000209980_100011216857 [0,2,0,0,0,0|1,0,1]=4 9633 B12R0.233 COCCNC(=O)CCCC(C)C 240690a_100000209980_100011216857 [0,2,0,0,0,0|1,0,1]=4 9634 B12R0.233 COCCNC(=O)CCCC(C)C 527a_100000209980_100011216857 [0,2,0,0,0,0|1,0,1]=4 9635 B12R0.233 COCCNC(C)CCC=C(C)C 270004a_100000209980_100000765506 [0,2,0,0,0,0|0,0,2]=4 9636 B12R0.233 COCCNC(C)CCCC(C)C 2230a_100000210607_100011201679 [0,2,0,0,0,0|0,0,0]=2 9637 B12R0.233 COCCNC(C)CCCC(C)C 270004a_100000209980_100000753411 [0,2,0,0,0,0|0,0,0]=2 9638 B12R0.233 COCCNC(C)CCOC(C)C 270004a_100000209980_200011219172 [0,2,0,0,0,0|1,0,0]=3 9639 B12R0.233 COCCOC(C)CCC=C(C)C 34a_100102619829_100011201679 [0,2,0,0,0,0|0,0,2]=4 9640 B12R0.233 COCCOC(C)CCC=C(C)C 7a_100102619829_100000233755 [0,2,0,0,0,0|0,0,2]=4 9641 B12R0.233 COCCOC(C)CCCC(C)C 34a_200011218570_100011201679 [0,2,0,0,0,0|0,0,0]=2 9642 B12R0.233 COCCOC(C)CCCC(C)C 7a_200011218570_100000233755 [0,2,0,0,0,0|0,0,0]=2 9643 B12R0.233 CSCCCC(C)NCCC(C)C 270004a_100000210545_100011399439 [0,2,0,0,0,0|1,1,0]=4 9644 B12R0.233 CSCCNC(C)CCCC(C)C 2230a_100000210607_100000751147 [0,2,0,0,0,0|0,1,0]=3 9645 B12R0.233 CSCCNC(C)CCCC(C)C 270004a_100020590264_100000753411 [0,2,0,0,0,0|0,1,0]=3 9646 B12R0.233 CSCCNC(C)CCOC(C)C 270004a_100020590264_200011219172 [0,2,0,0,0,0|1,1,0]=4 9647 B12R0.233 CSCCOC(C)CCCC(C)C 34a_200011218570_100000212216 [0,2,0,0,0,0|0,1,0]=3 9648 B12R0.233 CSCCOC(C)CCCC(C)C 7a_200011218570_100000212216 [0,2,0,0,0,0|0,1,0]=3 9649 B12R0.265 CCC(CC)COCC(C)CCN 34a_106354213184_100011215472 [0,2,0,0,0,0|2,0,0]=4 9650 B12R0.265 CCCC(C)CCOC(CC)CC 7a_100011217855_100000210505 [0,2,0,0,0,0|2,0,0]=4 9651 B12R0.265 CCCC(C)CNCC(CC)CC 2230a_100102946423_100011216630 [0,2,0,0,0,0|2,0,0]=4 9652 B12R0.265 CCCC(C)CNCC(CC)CC 270004a_100102946423_100000243154 [0,2,0,0,0,0|2,0,0]=4 9653 B12R0.265 CCCC(C)CNCC(CC)OC 270004a_100000731041_100000243154 [0,2,0,0,0,0|2,0,0]=4 9654 B12R0.265 CCCC(C)CNCC(OC)OC 270004a_100000210479_100000243154 [0,2,0,0,0,0|2,0,0]=4 9655 B12R0.265 CCCC(C)COCC(CC)CC 34a_100000688023_100011215472 [0,2,0,0,0,0|2,0,0]=4 9656 B12R0.265 CCCC(C)COCC(CC)CC 7a_100000688023_100011215472 [0,2,0,0,0,0|2,0,0]=4 9657 B12R0.265 CCCC(C)COCC(CC)CC 7a_100000703878_100011216630 [0,2,0,0,0,0|2,0,0]=4 9658 B12R0.265 CCCC(C)COCC(CC)OC 34a_100011934954_100011216630 [0,2,0,0,0,0|2,0,0]=4 9659 B12R0.265 CCCC(C)COCC(CC)OC 7a_100011934954_100011216630 [0,2,0,0,0,0|2,0,0]=4 9660 B12R0.265 CCCC(C)COCC(OC)OC 34a_100000688023_100000211822 [0,2,0,0,0,0|2,0,0]=4 9661 B12R0.265 CCCC(C)COCC(OC)OC 34a_100011216393_100011216630 [0,2,0,0,0,0|2,0,0]=4 9662 B12R0.265 CCCC(C)COCC(OC)OC 7a_100000688023_100000751394 [0,2,0,0,0,0|2,0,0]=4 9663 B12R0.265 CCCC(C)CSCC(CC)CC 62a_100011215472_100011216630 [0,2,0,0,0,0|2,0,0]=4 9664 B12R0.265 CCCC(C)CSCC(CC)CC 62a_100011216630_100011215472 [0,2,0,0,0,0|2,0,0]=4 9665 B12R0.265 CCCC(C)CSCC(OC)OC 62a_100000751394_100011216630 [0,2,0,0,0,0|2,0,0]=4 9666 B12R0.265 CCCC(C)CSCC(OC)OC 62a_100011216630_100000751394 [0,2,0,0,0,0|2,0,0]=4 9667 B12R0.265 CCCC(C)NCCC(OC)OC 2230a_100000741246_100009813347 [0,2,0,0,0,0|2,0,0]=4 9668 B12R0.265 CCCC(C)OCCC(OC)OC 34a_100000764384_100000139399 [0,2,0,0,0,0|2,0,0]=4 9669 B12R0.265 CCCC(C)OCCC(OC)OC 7a_100000764384_100009813347 [0,2,0,0,0,0|2,0,0]=4 9670 B12R0.265 CCCC(C)SCCC(OC)OC 62a_100000139399_100000766640 [0,2,0,0,0,0|2,0,0]=4 9671 B12R0.265 CCCC(C)SCCC(OC)OC 62a_100000766640_100000139399 [0,2,0,0,0,0|2,0,0]=4 9672 B12R0.265 CCCN(C)CCCC(OC)OC 2230a_100000747261_100000069011 [0,2,0,0,0,0|2,0,0]=4 9673 B12R0.265 CCCN(C)CCCC(OC)OC 269982a_100000747261_100000069011 [0,2,0,0,0,0|2,0,0]=4 9674 B12R0.265 CCN(CC)CCCN(C)CCO 2230a_100000210263_100000709985 [0,2,0,0,0,0|2,0,0]=4 9675 B12R0.265 CCN(CC)CCCN(C)CCO 269982a_100000210263_100000709985 [0,2,0,0,0,0|2,0,0]=4 9676 B12R0.265 CCN(CC)CCNC(C)CCO 2230a_100015382049_100009893172 [0,2,0,0,0,0|2,0,0]=4 9677 B12R0.265 CCN(CC)CCN[C@H](C)CCO 2230a_100000706166_100000700428 [0,2,0,0,0,0|2,0,0]=4 9678 B12R0.265 CCN(CC)CCOC(C)CCO 7a_100016990331_100009893172 [0,2,0,0,0,0|2,0,0]=4 9679 B12R0.265 CCN(CC)CCSC(C)CCO 62a_100009893172_100000700428 [0,2,0,0,0,0|2,0,0]=4 9680 B12R0.265 COC(CCCC(=O)CCO)OC 1458a_100011216618_100000069011 [0,2,0,0,0,0|1,0,1]=4 9681 B12R0.265 COC(CCCN(C)CCO)OC 2230a_100000210263_100000069011 [0,2,0,0,0,0|1,0,0]=3 9682 B12R0.265 COC(CCCN(C)CCO)OC 269982a_100000210263_100000069011 [0,2,0,0,0,0|1,0,0]=3 9683 B12R0.265 COC(CCN[C@H](C)CCO)OC 2230a_100000706166_100009813347 [0,2,0,0,0,0|1,0,0]=3 9684 B12R0.265 COC(CCN[C@H](C)CCO)OC 34a_100000706166_100000139399 [0,2,0,0,0,0|1,0,0]=3 9685 B12R0.265 COC(CCOC(C)CCBr)OC 34a_100012276601_100000139399 [0,2,0,0,0,0|2,0,0]=4 9686 B12R0.265 COC(CCSC(C)CCO)OC 62a_100000139399_100009893172 [0,2,0,0,0,0|1,0,0]=3 9687 B12R0.265 COC(CCSC(C)CCO)OC 62a_100009893172_100000139399 [0,2,0,0,0,0|1,0,0]=3 9688 B12R0.265 COC(COCC(C)CCN)OC 34a_106354213184_100000211822 [0,2,0,0,0,0|2,0,0]=4 9689 B12R0.285 C=CCC(C)COCC(C)CCC 34a_100009832082_100011216630 [0,2,0,0,0,0|2,0,0]=4 9690 B12R0.285 C=CCC(C)COCC(C)CCC 7a_100009832082_100011216630 [0,2,0,0,0,0|2,0,0]=4 9691 B12R0.285 CCCC(C)CCOC(C)CC#N 7a_100011217855_100009813641 [0,2,0,0,0,0|2,0,0]=4 9692 B12R0.285 CCCC(C)CCOC(C)CCC 34a_100011217855_100000766640 [0,2,0,0,0,0|2,0,0]=4 9693 B12R0.285 CCCC(C)CCOC(C)CCC 7a_100011217855_100000766640 [0,2,0,0,0,0|2,0,0]=4 9694 B12R0.285 CCCC(C)CCOC(C)CCO 34a_100011217855_100009893172 [0,2,0,0,0,0|1,0,0]=3 9695 B12R0.285 CCCC(C)CCOC(C)CCO 7a_100011217855_100009893172 [0,2,0,0,0,0|1,0,0]=3 9696 B12R0.285 CCCC(C)CCOC(C)COC 34a_100011217855_100000765312 [0,2,0,0,0,0|2,0,0]=4 9697 B12R0.285 CCCC(C)CCOC(C)COC 7a_100011217855_100000765312 [0,2,0,0,0,0|2,0,0]=4 9698 B12R0.285 CCCC(C)COCC(C)CCC 34a_100000688023_100011216630 [0,2,0,0,0,0|2,0,0]=4 9699 B12R0.285 CCCC(C)COCC(C)CCC 7a_100000688023_100011216630 [0,2,0,0,0,0|2,0,0]=4 9700 B12R0.285 CCCC(C)COCC(C)CCN 34a_106354213184_100011216630 [0,2,0,0,0,0|2,0,0]=4 9701 B12R0.285 CCCC(C)CSCC(C)CCC 62a_100011216630_100011216630 [0,2,0,0,0,0|2,0,0]=4 9702 B12R0.285 CCC[C@H](N)CCOC(C)CCO 34a_100015193777_100009893172 [0,2,0,0,0,0|2,0,0]=4 9703 B12R0.573 C#CC(C)(C)OCCC(C)CCC 34a_100011217855_100000038118 [0,2,0,0,0,0|2,0,0]=4 9704 B12R0.573 CC(C)(C#N)CCCC(=O)CCO 1458a_100011216618_100000759902 [0,2,0,0,0,0|1,0,1]=4 9705 B12R0.573 CC(CCN)COCC(C)(C)CO 34a_106354213184_100009813988 [0,2,0,0,0,0|2,0,0]=4 9706 B12R0.573 CCCC(C)CCOC(C)(C)C#N 34a_100011217855_100011162410 [0,2,0,0,0,0|2,0,0]=4 9707 B12R0.573 CCCC(C)CCOC(C)(C)C#N 7a_100011217855_100011162410 [0,2,0,0,0,0|2,0,0]=4 9708 B12R0.573 CCCC(C)CCOC(C)(C)CC 7a_100011217855_100000210677 [0,2,0,0,0,0|2,0,0]=4 9709 B12R0.573 CCCC(C)CNCC(C)(C)CO 2230a_100020635058_100011216630 [0,2,0,0,0,0|2,0,0]=4 9710 B12R0.573 CCCC(C)CNCC(C)(C)CO 270004a_100020635058_100000243154 [0,2,0,0,0,0|2,0,0]=4 9711 B12R0.573 CCCC(C)CNCC(C)(C)OC 2230a_100000763424_100011216630 [0,2,0,0,0,0|2,0,0]=4 9712 B12R0.573 CCCC(C)CNCC(C)(C)OC 270004a_100000763424_100000243154 [0,2,0,0,0,0|2,0,0]=4 9713 B12R0.573 CCCC(C)COCC(C)(C)CC 7a_100000765029_100011216630 [0,2,0,0,0,0|2,0,0]=4 9714 B12R0.573 CCCC(C)COCC(C)(C)CCl 7a_100011217199_100011216630 [0,2,0,0,0,0|2,0,0]=4 9715 B12R0.573 CCCC(C)COCC(C)(C)CO 34a_100000688023_100009813988 [0,2,0,0,0,0|2,0,0]=4 9716 B12R0.573 CCCC(C)COCC(C)(C)CO 7a_100000688023_100009813988 [0,2,0,0,0,0|2,0,0]=4 9717 B12R0.573 CCCC(C)COCC(C)(C)OC 34a_100000688023_100000701081 [0,2,0,0,0,0|2,0,0]=4 9718 B12R0.573 CCCC(C)CSCC(C)(C)CO 62a_100009813988_100011216630 [0,2,0,0,0,0|2,0,0]=4 9719 B12R0.573 CCCC(C)CSCC(C)(C)CO 62a_100011216630_100009813988 [0,2,0,0,0,0|2,0,0]=4 9720 B12R0.573 CCCC(C)CSCC(C)(C)OC 62a_100000701081_100011216630 [0,2,0,0,0,0|2,0,0]=4 9721 B12R0.573 CCCC(C)CSCC(C)(C)OC 62a_100011216630_100000701081 [0,2,0,0,0,0|2,0,0]=4 9722 B12R0.573 CCCC(C)OCCC(C)(C)OC 7a_100000699976_100000766640 [0,2,0,0,0,0|2,0,0]=4 9723 B12R0.573 CCCN(C)CCCC(C)(C)C#N 2230a_100000747261_100000759902 [0,2,0,0,0,0|2,0,0]=4 9724 B12R0.573 CCCN(C)CCCC(C)(C)C#N 269982a_100000747261_100000759902 [0,2,0,0,0,0|2,0,0]=4 9725 B12R0.573 CN(CCO)CCCC(C)(C)C#N 2230a_100000210263_100000759902 [0,2,0,0,0,0|1,0,0]=3 9726 B12R0.573 CN(CCO)CCCC(C)(C)C#N 269982a_100000210263_100000759902 [0,2,0,0,0,0|1,0,0]=3 9727 B12R0.573 COC(C)(C)CCOC(C)CCO 7a_100000699976_100009893172 [0,2,0,0,0,0|1,0,0]=3 9728 B12R0.573 COC(C)(C)COCC(C)CCN 34a_106354213184_100000701081 [0,2,0,0,0,0|2,0,0]=4 9729 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [1,0,0,1,0,0|1,0,1]=4 9730 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [1,0,0,1,0,0|1,0,1]=4 9731 B10R1.13 CC(C)C1CCN(CC1)C 2230a_100000762885_200000210301 [1,0,0,1,0,0|1,0,0]=3 9732 B10R1.13 CC(C)C1CCN(CC1)C 269982a_100000762885_200000210301 [1,0,0,1,0,0|1,0,0]=3 9733 B10R1.13 CC(C)C1CCN(CC1)C 34a_100000762885_200000210301 [1,0,0,1,0,0|1,0,0]=3 9734 B10R1.13 CC(C)C1CCN(CC1)[13CH3] 2230a_100000762885_200025704644 [1,0,0,1,0,0|1,0,0]=3 9735 B10R1.13 CC(C)C1CCN(CC1)[13CH3] 269982a_100000762885_200025704644 [1,0,0,1,0,0|1,0,0]=3 9736 B10R1.13 CC(C)C1CCN(CC1)[13CH3] 34a_100000762885_200025704644 [1,0,0,1,0,0|1,0,0]=3 9737 B10R1.13 CC(C)N1CCC(CC1)F 2230a_100015193889_100000210206 [1,0,0,1,0,0|2,0,0]=4 9738 B10R1.13 CC(C)N1CCC(CC1)F 269982a_100015193889_100000210206 [1,0,0,1,0,0|2,0,0]=4 9739 B10R1.13 CC(C)N1CCC(CC1)F 34a_100015193889_100000210206 [1,0,0,1,0,0|2,0,0]=4 9740 B10R1.13 CC(C)N1CCC(CC1)O 2230a_100025773856_100000210206 [1,0,0,1,0,0|2,0,0]=4 9741 B10R1.13 CC(C)N1CCC(CC1)O 269982a_100025773856_100000210206 [1,0,0,1,0,0|2,0,0]=4 9742 B10R1.13 CC(C)N1CCN(CC1)C 2230a_100000188432_100000210206 [1,0,0,1,0,0|2,0,0]=4 9743 B10R1.13 CC(C)N1CCN(CC1)C 2230a_100000246833_200000210301 [1,0,0,1,0,0|2,0,0]=4 9744 B10R1.13 CC(C)N1CCN(CC1)C 269982a_100000188432_100000210206 [1,0,0,1,0,0|2,0,0]=4 9745 B10R1.13 CC(C)N1CCN(CC1)C 269982a_100000246833_200000210301 [1,0,0,1,0,0|2,0,0]=4 9746 B10R1.13 CC(C)N1CCN(CC1)[13CH3] 2230a_100000246833_200025704644 [1,0,0,1,0,0|2,0,0]=4 9747 B10R1.13 CC(C)N1CCN(CC1)[13CH3] 269982a_100000246833_200025704644 [1,0,0,1,0,0|2,0,0]=4 9748 B10R1.13 CC(O)C1CCN(CC1)C 2230a_100011728446_200000210301 [1,0,0,1,0,0|2,0,0]=4 9749 B10R1.13 CC(O)C1CCN(CC1)C 269982a_100011728446_200000210301 [1,0,0,1,0,0|2,0,0]=4 9750 B10R1.13 CC(O)C1CCN(CC1)C 34a_100011728446_200000210301 [1,0,0,1,0,0|2,0,0]=4 9751 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 2230a_100011728446_200025704644 [1,0,0,1,0,0|2,0,0]=4 9752 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 269982a_100011728446_200025704644 [1,0,0,1,0,0|2,0,0]=4 9753 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 34a_100011728446_200025704644 [1,0,0,1,0,0|2,0,0]=4 9754 B10R1.13 CC1CCC(CC1)N(C)C 269982a_100102631434_200011216234 [1,0,0,1,0,0|1,0,0]=3 9755 B10R1.13 CC1CCC(CC1)N(C)C 270004a_100102631434_100000185489 [1,0,0,1,0,0|1,0,0]=3 9756 B10R1.13 CC1CCN(CC1)C(C)C 2230a_100000188429_100000210206 [1,0,0,1,0,0|1,0,0]=3 9757 B10R1.13 CC1CCN(CC1)C(C)C 269982a_100000188429_100000210206 [1,0,0,1,0,0|1,0,0]=3 9758 B10R1.13 CC1CCN(CC1)C(C)C 34a_100000188429_100000210206 [1,0,0,1,0,0|1,0,0]=3 9759 B10R1.13 CN(C)C1CCC(CC1)O 270004a_100102631434_100000764474 [1,0,0,1,0,0|2,0,0]=4 9760 B10R1.13 CN(C)C1CCN(CC1)[13CH3] 2230a_100011226131_200025704644 [1,0,0,1,0,0|2,0,0]=4 9761 B10R1.13 CN(C)C1CCN(CC1)[13CH3] 269982a_100011226131_200025704644 [1,0,0,1,0,0|2,0,0]=4 9762 B10R1.13 CN(C)[C@H]1CC[C@H](CC1)O 2230a_100020636401_200000210301 [1,0,0,1,0,0|2,0,0]=4 9763 B10R1.13 CN(C)[C@H]1CC[C@H](CC1)O 269982a_100020636401_200000210301 [1,0,0,1,0,0|2,0,0]=4 9764 B10R1.13 CN([13CH3])[C@H]1CC[C@H](CC1)O 2230a_100020636401_200025704644 [1,0,0,1,0,0|2,0,0]=4 9765 B10R1.13 CN([13CH3])[C@H]1CC[C@H](CC1)O 269982a_100020636401_200025704644 [1,0,0,1,0,0|2,0,0]=4 9766 B10R1.13 CN1CCC(CC1)N(C)C 2230a_100011226131_200000210301 [1,0,0,1,0,0|2,0,0]=4 9767 B10R1.13 CN1CCC(CC1)N(C)C 2230a_100025768347_200000210301 [1,0,0,1,0,0|2,0,0]=4 9768 B10R1.13 CN1CCC(CC1)N(C)C 269982a_100011226131_200000210301 [1,0,0,1,0,0|2,0,0]=4 9769 B10R1.13 CN1CCC(CC1)N(C)C 269982a_100025768347_200000210301 [1,0,0,1,0,0|2,0,0]=4 9770 B10R1.13 CN1CCC(CC1)N(C)C 269982a_100102631434_100011215917 [1,0,0,1,0,0|2,0,0]=4 9771 B10R1.13 CN1CCC(CC1)N(C)C 270004a_100102631434_100000210137 [1,0,0,1,0,0|2,0,0]=4 9772 B10R1.13 CN1CCC(CC1)N(C)[13CH3] 2230a_100025768347_200025704644 [1,0,0,1,0,0|2,0,0]=4 9773 B10R1.13 CN1CCC(CC1)N(C)[13CH3] 269982a_100025768347_200025704644 [1,0,0,1,0,0|2,0,0]=4 9774 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 9775 B10R1.14 CC(CO)N1CCC(C1)O 2230a_100011215560_100012180447 [1,0,0,1,0,0|2,0,0]=4 9776 B10R1.14 CC(CO)N1CC[C@@H](C1)F 2230a_100015203821_100012180447 [1,0,0,1,0,0|2,0,0]=4 9777 B10R1.14 CC(CO)N1CC[C@@H](C1)F 34a_100015203821_100012180447 [1,0,0,1,0,0|2,0,0]=4 9778 B10R1.14 CC(CO)N1CC[C@H](C1)C 2230a_100016987628_100012180447 [1,0,0,1,0,0|1,0,0]=3 9779 B10R1.14 CC(CO)N1CC[C@H](C1)C 34a_100016987628_100012180447 [1,0,0,1,0,0|1,0,0]=3 9780 B10R1.14 CCC(C)N1CCC(C1)O 2230a_100011215560_100000758301 [1,0,0,1,0,0|2,0,0]=4 9781 B10R1.14 CCC(C)N1CCC(C1)O 269982a_100011215560_100000758301 [1,0,0,1,0,0|2,0,0]=4 9782 B10R1.14 CCC(C)N1CC[C@@H](C1)F 2230a_100015203821_100000758301 [1,0,0,1,0,0|2,0,0]=4 9783 B10R1.14 CCC(C)N1CC[C@@H](C1)F 269982a_100015203821_100000758301 [1,0,0,1,0,0|2,0,0]=4 9784 B10R1.14 CCC(C)N1CC[C@@H](C1)F 34a_100015203821_100011215416 [1,0,0,1,0,0|2,0,0]=4 9785 B10R1.14 CCC(C)N1CC[C@H](C1)C 2230a_100016987628_100000758301 [1,0,0,1,0,0|1,0,0]=3 9786 B10R1.14 CCC(C)N1CC[C@H](C1)C 269982a_100016987628_100000758301 [1,0,0,1,0,0|1,0,0]=3 9787 B10R1.14 CCC(C)N1CC[C@H](C1)C 34a_100016987628_100011215416 [1,0,0,1,0,0|1,0,0]=3 9788 B10R1.14 CCN(C)C1CCN(C1)C 2230a_103436538152_100000210202 [1,0,0,1,0,0|2,0,0]=4 9789 B10R1.14 CCN(C)C1CCN(C1)C 269982a_100000225621_200012183744 [1,0,0,1,0,0|2,0,0]=4 9790 B10R1.14 CCN(C)C1CCN(C1)C 269982a_103436538152_100000204670 [1,0,0,1,0,0|2,0,0]=4 9791 B10R1.14 COC(C)N1CC[C@H](C1)C 269982a_100016987628_100009879195 [1,0,0,1,0,0|2,0,0]=4 9792 B10R1.14 C[C@@H]1CCN(C1)[C@H](C)CO 269982a_100016987628_100016084084 [1,0,0,1,0,0|1,0,0]=3 9793 B10R1.14 C[C@H](CO)N1CCC(C1)O 269982a_100011215560_100016084084 [1,0,0,1,0,0|2,0,0]=4 9794 B10R1.14 C[C@H](CO)N1CC[C@@H](C1)F 269982a_100015203821_100016084084 [1,0,0,1,0,0|2,0,0]=4 9795 B10R1.31 CC(C)N1CCC(C1)CO 2230a_100000748654_100000210206 [1,0,0,1,0,0|1,0,0]=3 9796 B10R1.31 CC(C)N1CCC(C1)CO 269982a_100000748654_100000210206 [1,0,0,1,0,0|1,0,0]=3 9797 B10R1.31 CC(C)N1CCC(C1)CO 34a_100000748654_100000210206 [1,0,0,1,0,0|1,0,0]=3 9798 B10R1.31 CC(C)N1CCC(C1)N[13CH3] 2230a_100000746141_200025704644 [1,0,0,1,0,0|2,0,0]=4 9799 B10R1.31 CCC1CCC(C1)N(C)C 270004a_100102631434_100011218773 [1,0,0,1,0,0|1,0,0]=3 9800 B10R1.31 CCN1CCC(C1)N(C)C 269982a_100102631434_200011861547 [1,0,0,1,0,0|2,0,0]=4 9801 B10R1.31 CCN1CC[C@@H](C1)N(C)C 2230a_100016988096_100000210202 [1,0,0,1,0,0|2,0,0]=4 9802 B10R1.31 CCN1CC[C@@H](C1)N(C)C 269982a_100016988096_100000204670 [1,0,0,1,0,0|2,0,0]=4 9803 B10R1.31 CNC1CCN(C1)C(C)C 2230a_100000746141_200000210301 [1,0,0,1,0,0|2,0,0]=4 9804 B10R1.31 CO[C@@H]1CCN(C1)C(C)C 2230a_100000766984_100000210206 [1,0,0,1,0,0|2,0,0]=4 9805 B10R1.31 CO[C@@H]1CCN(C1)C(C)C 269982a_100000766984_100000210206 [1,0,0,1,0,0|2,0,0]=4 9806 B10R1.54 CC(C)CN1CCC(C1)O 2230a_100011215560_100000210760 [1,0,0,1,0,0|2,0,0]=4 9807 B10R1.54 CC(C)CN1CCC(C1)O 269982a_100011215560_100000210624 [1,0,0,1,0,0|2,0,0]=4 9808 B10R1.54 CC(C)CN1CCC(C1)O 270004a_100011215560_100000210432 [1,0,0,1,0,0|2,0,0]=4 9809 B10R1.54 CC(C)CN1CC[C@@H](C1)F 2230a_100015203821_100000210760 [1,0,0,1,0,0|2,0,0]=4 9810 B10R1.54 CC(C)CN1CC[C@@H](C1)F 269982a_100015203821_100000210624 [1,0,0,1,0,0|2,0,0]=4 9811 B10R1.54 CC(C)CN1CC[C@@H](C1)F 270004a_100015203821_100000210432 [1,0,0,1,0,0|2,0,0]=4 9812 B10R1.54 CC(C)CN1CC[C@@H](C1)F 34a_100015203821_100000210624 [1,0,0,1,0,0|2,0,0]=4 9813 B10R1.54 CC(C)CN1CC[C@H](C1)C 2230a_100016987628_100000210760 [1,0,0,1,0,0|1,0,0]=3 9814 B10R1.54 CC(C)CN1CC[C@H](C1)C 269982a_100016987628_100000210624 [1,0,0,1,0,0|1,0,0]=3 9815 B10R1.54 CC(C)CN1CC[C@H](C1)C 270004a_100016987628_100000210432 [1,0,0,1,0,0|1,0,0]=3 9816 B10R1.54 CC(C)CN1CC[C@H](C1)C 34a_100016987628_100000210624 [1,0,0,1,0,0|1,0,0]=3 9817 B10R1.54 CC(C)N[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210206 [1,0,0,1,0,0|2,0,0]=4 9818 B10R1.54 CC(C)SC1CCN(C1)C 62a_100000210206_200012183744 [1,0,0,1,0,0|2,0,0]=4 9819 B10R1.54 CC(O)CN1CC[C@H](C1)C 2230a_100016987628_100011218427 [1,0,0,1,0,0|2,0,0]=4 9820 B10R1.54 CC(O)CN1CC[C@H](C1)C 269982a_100016987628_100011218427 [1,0,0,1,0,0|2,0,0]=4 9821 B10R1.54 CC(O)CN1CC[C@H](C1)C 34a_100016987628_100011218427 [1,0,0,1,0,0|2,0,0]=4 9822 B10R1.54 CC1CCC(C1)OC(C)C 34a_100000698185_100000210206 [1,0,0,1,0,0|1,0,0]=3 9823 B10R1.54 CN(C)CC1CCN(C1)C 2230a_200000755502_200000210301 [1,0,0,1,0,0|2,0,0]=4 9824 B10R1.54 CN(C)CC1CCN(C1)C 269982a_100102631434_200000690779 [1,0,0,1,0,0|2,0,0]=4 9825 B10R1.54 CN(C)CC1CCN(C1)C 269982a_200000755502_200000210301 [1,0,0,1,0,0|2,0,0]=4 9826 B10R1.54 CN(C)CC1CCN(C1)[13CH3] 2230a_200000755502_200025704644 [1,0,0,1,0,0|2,0,0]=4 9827 B10R1.54 CN(C)CC1CCN(C1)[13CH3] 269982a_200000755502_200025704644 [1,0,0,1,0,0|2,0,0]=4 9828 B10R1.54 C[C@@H]1CCN(C1)C[C@@H](C)O 2230a_100016987628_100009817552 [1,0,0,1,0,0|2,0,0]=4 9829 B10R1.54 C[C@@H]1CCN(C1)C[C@@H](C)O 269982a_100016987628_100009817552 [1,0,0,1,0,0|2,0,0]=4 9830 B10R1.54 C[C@@H]1CCN(C1)C[C@@H](C)O 34a_100016987628_100009817552 [1,0,0,1,0,0|2,0,0]=4 9831 B10R1.73 CC(C)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210312 [1,0,0,1,0,0|2,0,0]=4 9832 B10R1.73 CC(C)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210312 [1,0,0,1,0,0|2,0,0]=4 9833 B10R1.73 CC(C)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000210312 [1,0,0,1,0,0|2,0,0]=4 9834 B10R1.73 CC(C)COCC1CC1C 34a_100000744939_100000210624 [1,0,0,1,0,0|1,0,0]=3 9835 B10R1.73 CC(C)COCC1CC1C 7a_100000744939_100000210760 [1,0,0,1,0,0|1,0,0]=3 9836 B10R1.73 CC(O)COCC1CC1C 34a_100000744939_100011218427 [1,0,0,1,0,0|2,0,0]=4 9837 B10R1.73 CC(O)COCC1CC1C 7a_100000744939_100011218427 [1,0,0,1,0,0|2,0,0]=4 9838 B10R1.73 CC1CC1COC[C@@H](C)O 34a_100000744939_100009817552 [1,0,0,1,0,0|2,0,0]=4 9839 B10R1.73 CC1CC1COC[C@@H](C)O 7a_100000744939_100009817552 [1,0,0,1,0,0|2,0,0]=4 9840 B10R1.80 CC(C)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210760 [1,0,0,1,0,0|2,0,0]=4 9841 B10R1.80 CC(C)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210624 [1,0,0,1,0,0|2,0,0]=4 9842 B10R1.80 CC(C)CN1C[C@@H]([C@@H]1C)O 270004a_206633788156_100000210432 [1,0,0,1,0,0|2,0,0]=4 9843 B10R1.117 CC(C)CCN1CCC1C 269982a_100000755817_100000210312 [1,0,0,1,0,0|1,0,0]=3 9844 B10R1.117 CC(C)CCN1CCC1C 34a_100000755817_100000210312 [1,0,0,1,0,0|1,0,0]=3 9845 B10R1.117 CC(C)OCN1CCC1C 269982a_100000755817_100000709892 [1,0,0,1,0,0|2,0,0]=4 9846 B10R1.117 CC(C)OCN1CCC1C 34a_100000755817_100000709892 [1,0,0,1,0,0|2,0,0]=4 9847 B10R1.117 CC(O)CCN1CCC1C 269982a_100000755817_100012276601 [1,0,0,1,0,0|2,0,0]=4 9848 B10R1.117 CC(O)CCN1CCC1C 34a_100000755817_100012276601 [1,0,0,1,0,0|2,0,0]=4 9849 B10R1.117 CC1CCN1CCN(C)C 269982a_100000755817_100000755713 [1,0,0,1,0,0|2,0,0]=4 9850 B10R1.127 CC(Br)CCOC1CCC1 34a_100009893172_100000749161 [1,0,0,1,0,0|2,0,0]=4 9851 B10R1.127 CC(Br)CCOC1COC1 34a_100009893172_100009818527 [1,0,0,1,0,0|2,0,0]=4 9852 B10R1.127 CC(Br)COCC1CCC1 34a_100012180447_100000763275 [1,0,0,1,0,0|2,0,0]=4 9853 B10R1.127 CC(Br)COCC1COC1 34a_100012180447_100010264016 [1,0,0,1,0,0|2,0,0]=4 9854 B10R1.127 CC(C)CCCN1CCC1 269982a_100000754969_100011214892 [1,0,0,1,0,0|1,0,0]=3 9855 B10R1.127 CC(C)CCNC1CCC1 2230a_100000749019_100000210312 [1,0,0,1,0,0|1,0,0]=3 9856 B10R1.127 CC(C)CCNC1CCC1 269862a_100000749019_100000185833 [1,0,0,1,0,0|1,0,0]=3 9857 B10R1.127 CC(C)CCNC1CCC1 270004a_100000210545_100000241760 [1,0,0,1,0,0|1,0,0]=3 9858 B10R1.127 CC(C)CCNC1CCC1 34a_100000749019_100000210312 [1,0,0,1,0,0|1,0,0]=3 9859 B10R1.127 CC(C)CCNC1COC1 2230a_100016991112_100000210312 [1,0,0,1,0,0|1,0,0]=3 9860 B10R1.127 CC(C)CCNC1COC1 269862a_100016991112_100000185833 [1,0,0,1,0,0|1,0,0]=3 9861 B10R1.127 CC(C)CCNC1CSC1 269862a_100016994217_100000185833 [1,0,0,1,0,0|1,1,0]=4 9862 B10R1.127 CC(C)CCOC1CCC1 34a_100000210254_100000749161 [1,0,0,1,0,0|1,0,0]=3 9863 B10R1.127 CC(C)CCOC1CCC1 34a_100000748187_100000210312 [1,0,0,1,0,0|1,0,0]=3 9864 B10R1.127 CC(C)CCOC1COC1 34a_100000210254_100009818527 [1,0,0,1,0,0|1,0,0]=3 9865 B10R1.127 CC(C)CCOC1COC1 7a_100000210254_100009818527 [1,0,0,1,0,0|1,0,0]=3 9866 B10R1.127 CC(C)CCOC1CSC1 7a_100000072292_100000210626 [1,0,0,1,0,0|1,1,0]=4 9867 B10R1.127 CC(C)CCSC1CCC1 62a_100000210312_100000749161 [1,0,0,1,0,0|1,0,0]=3 9868 B10R1.127 CC(C)CCSC1COC1 62a_100000210312_100009818527 [1,0,0,1,0,0|1,0,0]=3 9869 B10R1.127 CC(C)CNCC1CCC1 2230a_100000210953_100000763275 [1,0,0,1,0,0|1,0,0]=3 9870 B10R1.127 CC(C)CNCC1CCC1 2230a_100000738700_100000210760 [1,0,0,1,0,0|1,0,0]=3 9871 B10R1.127 CC(C)CNCC1CCC1 269862a_100000210953_100000753134 [1,0,0,1,0,0|1,0,0]=3 9872 B10R1.127 CC(C)CNCC1CCC1 270004a_100000738700_100000210432 [1,0,0,1,0,0|1,0,0]=3 9873 B10R1.127 CC(C)CNCC1CCC1 34a_100000210953_100000763275 [1,0,0,1,0,0|1,0,0]=3 9874 B10R1.127 CC(C)CNCC1CCC1 34a_100000738700_100000210624 [1,0,0,1,0,0|1,0,0]=3 9875 B10R1.127 CC(C)CNCC1CCO1 2230a_100000210953_100000103362 [1,0,0,1,0,0|2,0,0]=4 9876 B10R1.127 CC(C)CNCC1CCO1 34a_100000210953_100000103362 [1,0,0,1,0,0|2,0,0]=4 9877 B10R1.127 CC(C)CNCC1COC1 2230a_100000210953_100010264016 [1,0,0,1,0,0|1,0,0]=3 9878 B10R1.127 CC(C)CNCC1COC1 2230a_100015281925_100000210760 [1,0,0,1,0,0|1,0,0]=3 9879 B10R1.127 CC(C)CNCC1COC1 270004a_100015281925_100000210432 [1,0,0,1,0,0|1,0,0]=3 9880 B10R1.127 CC(C)CNCC1COC1 34a_100000210953_100010264016 [1,0,0,1,0,0|1,0,0]=3 9881 B10R1.127 CC(C)CNCC1COC1 34a_100015281925_100000210624 [1,0,0,1,0,0|1,0,0]=3 9882 B10R1.127 CC(C)CNC[C@@H]1CCO1 2230a_100020831831_100000210760 [1,0,0,1,0,0|2,0,0]=4 9883 B10R1.127 CC(C)CNC[C@@H]1CCO1 270004a_100020831831_100000210432 [1,0,0,1,0,0|2,0,0]=4 9884 B10R1.127 CC(C)CNC[C@@H]1CCO1 34a_100020831831_100000210624 [1,0,0,1,0,0|2,0,0]=4 9885 B10R1.127 CC(C)COCC1CCC1 34a_100000210257_100000763275 [1,0,0,1,0,0|1,0,0]=3 9886 B10R1.127 CC(C)COCC1CCC1 34a_100000760304_100000210624 [1,0,0,1,0,0|1,0,0]=3 9887 B10R1.127 CC(C)COCC1CCO1 34a_100000039022_100000210624 [1,0,0,1,0,0|2,0,0]=4 9888 B10R1.127 CC(C)COCC1CCO1 34a_100000210257_100000103362 [1,0,0,1,0,0|2,0,0]=4 9889 B10R1.127 CC(C)COCC1CNC1 34a_100016987283_100000210624 [1,0,0,1,0,0|2,0,0]=4 9890 B10R1.127 CC(C)COCC1COC1 34a_100000060846_100000210624 [1,0,0,1,0,0|1,0,0]=3 9891 B10R1.127 CC(C)COCC1COC1 34a_100000210257_100010264016 [1,0,0,1,0,0|1,0,0]=3 9892 B10R1.127 CC(C)CSCC1CCC1 62a_100000210624_100000763275 [1,0,0,1,0,0|1,0,0]=3 9893 B10R1.127 CC(C)CSCC1CCC1 62a_100000763275_100000210760 [1,0,0,1,0,0|1,0,0]=3 9894 B10R1.127 CC(C)CSCC1CCO1 62a_100000103362_100000210760 [1,0,0,1,0,0|2,0,0]=4 9895 B10R1.127 CC(C)CSCC1CCO1 62a_100000210624_100000103362 [1,0,0,1,0,0|2,0,0]=4 9896 B10R1.127 CC(C)CSCC1COC1 62a_100000210624_100010264016 [1,0,0,1,0,0|1,0,0]=3 9897 B10R1.127 CC(C)CSCC1COC1 62a_100010264016_100000210760 [1,0,0,1,0,0|1,0,0]=3 9898 B10R1.127 CC(C)OCCC1COC1 34a_100009855314_100000210206 [1,0,0,1,0,0|1,0,0]=3 9899 B10R1.127 CC(C)OCCN1CCC1 269982a_100000754969_100000211751 [1,0,0,1,0,0|2,0,0]=4 9900 B10R1.127 CC(C)OCNC1CCC1 2230a_100000749019_100000709892 [1,0,0,1,0,0|2,0,0]=4 9901 B10R1.127 CC(C)OCNC1CCC1 34a_100000749019_100000709892 [1,0,0,1,0,0|2,0,0]=4 9902 B10R1.127 CC(C)OCNC1COC1 2230a_100016991112_100000709892 [1,0,0,1,0,0|2,0,0]=4 9903 B10R1.127 CC(C)OCOC1CCC1 34a_100000748187_100000709892 [1,0,0,1,0,0|2,0,0]=4 9904 B10R1.127 CC(C)OCSC1CCC1 62a_100000709892_100000749161 [1,0,0,1,0,0|2,0,0]=4 9905 B10R1.127 CC(C)OCSC1COC1 62a_100000709892_100009818527 [1,0,0,1,0,0|2,0,0]=4 9906 B10R1.127 CC(C)SCCN1CCC1 269982a_100000754969_100000730970 [1,0,0,1,0,0|2,0,0]=4 9907 B10R1.127 CC(F)COCC1CCC1 34a_100015925927_100000763275 [1,0,0,1,0,0|2,0,0]=4 9908 B10R1.127 CC(F)COCC1COC1 34a_100015925927_100010264016 [1,0,0,1,0,0|2,0,0]=4 9909 B10R1.127 CC(O)CCCN1CCC1 269982a_100000754969_200000718107 [1,0,0,1,0,0|2,0,0]=4 9910 B10R1.127 CC(O)CCNC1CCC1 2230a_100000749019_100012276601 [1,0,0,1,0,0|2,0,0]=4 9911 B10R1.127 CC(O)CCNC1CCC1 270004a_200000755665_100000241760 [1,0,0,1,0,0|2,0,0]=4 9912 B10R1.127 CC(O)CCNC1CCC1 34a_100000749019_100012276601 [1,0,0,1,0,0|2,0,0]=4 9913 B10R1.127 CC(O)CCNC1COC1 2230a_100016991112_100012276601 [1,0,0,1,0,0|2,0,0]=4 9914 B10R1.127 CC(O)CCOC1CCC1 34a_100000748187_100012276601 [1,0,0,1,0,0|2,0,0]=4 9915 B10R1.127 CC(O)CCSC1CCC1 62a_100012276601_100000749161 [1,0,0,1,0,0|2,0,0]=4 9916 B10R1.127 CC(O)CCSC1COC1 62a_100012276601_100009818527 [1,0,0,1,0,0|2,0,0]=4 9917 B10R1.127 CC(O)CNCC1CCC1 2230a_100000210904_100000763275 [1,0,0,1,0,0|2,0,0]=4 9918 B10R1.127 CC(O)CNCC1CCC1 2230a_100000738700_100011218427 [1,0,0,1,0,0|2,0,0]=4 9919 B10R1.127 CC(O)CNCC1CCC1 269862a_100000210904_100000753134 [1,0,0,1,0,0|2,0,0]=4 9920 B10R1.127 CC(O)CNCC1CCC1 34a_100000210904_100000763275 [1,0,0,1,0,0|2,0,0]=4 9921 B10R1.127 CC(O)CNCC1CCC1 34a_100000738700_100011218427 [1,0,0,1,0,0|2,0,0]=4 9922 B10R1.127 CC(O)CNCC1COC1 2230a_100000210904_100010264016 [1,0,0,1,0,0|2,0,0]=4 9923 B10R1.127 CC(O)CNCC1COC1 2230a_100015281925_100011218427 [1,0,0,1,0,0|2,0,0]=4 9924 B10R1.127 CC(O)CNCC1COC1 34a_100000210904_100010264016 [1,0,0,1,0,0|2,0,0]=4 9925 B10R1.127 CC(O)CNCC1COC1 34a_100015281925_100011218427 [1,0,0,1,0,0|2,0,0]=4 9926 B10R1.127 CC(O)COCC1CCC1 34a_100000760304_100011218427 [1,0,0,1,0,0|2,0,0]=4 9927 B10R1.127 CC(O)COCC1COC1 34a_100000060846_100011218427 [1,0,0,1,0,0|2,0,0]=4 9928 B10R1.127 CC(O)CSCC1CCC1 62a_100000763275_100011218427 [1,0,0,1,0,0|2,0,0]=4 9929 B10R1.127 CC(O)CSCC1CCC1 62a_100011218427_100000763275 [1,0,0,1,0,0|2,0,0]=4 9930 B10R1.127 CC(O)CSCC1COC1 62a_100010264016_100011218427 [1,0,0,1,0,0|2,0,0]=4 9931 B10R1.127 CC(O)CSCC1COC1 62a_100011218427_100010264016 [1,0,0,1,0,0|2,0,0]=4 9932 B10R1.127 CN(C)CCCN1CCC1 269982a_100000754969_100000757444 [1,0,0,1,0,0|2,0,0]=4 9933 B10R1.127 CN(C)CCNC1CCC1 270004a_100000210585_100000241760 [1,0,0,1,0,0|2,0,0]=4 9934 B10R1.127 C[C@@H](Cl)COCC1CCC1 34a_100016084084_100000763275 [1,0,0,1,0,0|2,0,0]=4 9935 B10R1.127 C[C@@H](Cl)COCC1COC1 34a_100016084084_100010264016 [1,0,0,1,0,0|2,0,0]=4 9936 B10R1.127 C[C@@H](N)CCOC1CCC1 34a_100000706166_100000749161 [1,0,0,1,0,0|2,0,0]=4 9937 B10R1.127 C[C@@H](N)CCOC1COC1 34a_100000706166_100009818527 [1,0,0,1,0,0|2,0,0]=4 9938 B10R1.127 C[C@@H](N)COCC1CCC1 34a_100000737577_100000763275 [1,0,0,1,0,0|2,0,0]=4 9939 B10R1.127 C[C@@H](N)COCC1COC1 34a_100000737577_100010264016 [1,0,0,1,0,0|2,0,0]=4 9940 B10R1.127 C[C@@H](O)CNCC1CCC1 2230a_100000738700_100009817552 [1,0,0,1,0,0|2,0,0]=4 9941 B10R1.127 C[C@@H](O)CNCC1CCC1 34a_100000738700_100009817552 [1,0,0,1,0,0|2,0,0]=4 9942 B10R1.127 C[C@@H](O)CNCC1COC1 2230a_100015281925_100009817552 [1,0,0,1,0,0|2,0,0]=4 9943 B10R1.127 C[C@@H](O)CNCC1COC1 34a_100015281925_100009817552 [1,0,0,1,0,0|2,0,0]=4 9944 B10R1.127 C[C@@H](O)COCC1CCC1 34a_100000760304_100009817552 [1,0,0,1,0,0|2,0,0]=4 9945 B10R1.127 C[C@@H](O)COCC1COC1 34a_100000060846_100009817552 [1,0,0,1,0,0|2,0,0]=4 9946 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100000763275_100009817552 [1,0,0,1,0,0|2,0,0]=4 9947 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100009817552_100000763275 [1,0,0,1,0,0|2,0,0]=4 9948 B10R1.127 C[C@@H](O)CSCC1COC1 62a_100009817552_100010264016 [1,0,0,1,0,0|2,0,0]=4 9949 B10R1.127 C[C@@H](O)CSCC1COC1 62a_100010264016_100009817552 [1,0,0,1,0,0|2,0,0]=4 9950 B10R1.150 CC(CO)NC1CC(C1)F 2230a_100016993743_100012180447 [1,0,0,1,0,0|2,0,0]=4 9951 B10R1.150 CC(CO)N[C@H]1C[C@@H](C1)O 2230a_100020629032_100012180447 [1,0,0,1,0,0|2,0,0]=4 9952 B10R1.150 CC1CN(C1)CC(O)CO 2230a_100000702820_100011219619 [1,0,0,1,0,0|2,0,0]=4 9953 B10R1.150 CC1CN(C1)CC(O)CO 34a_100000702820_100011219619 [1,0,0,1,0,0|2,0,0]=4 9954 B10R1.150 CC1CN(C1)C[C@@H](C)CO 2230a_100000702820_100000059175 [1,0,0,1,0,0|1,0,0]=3 9955 B10R1.150 CC1CN(C1)C[C@@H](C)CO 269982a_100000702820_100000059175 [1,0,0,1,0,0|1,0,0]=3 9956 B10R1.150 CC1CN(C1)C[C@@H](C)CO 34a_100000702820_100000059175 [1,0,0,1,0,0|1,0,0]=3 9957 B10R1.150 CC1CN(C1)C[C@@H](O)CO 2230a_100000702820_100009815848 [1,0,0,1,0,0|2,0,0]=4 9958 B10R1.150 CC1CN(C1)C[C@@H](O)CO 34a_100000702820_100009815848 [1,0,0,1,0,0|2,0,0]=4 9959 B10R1.150 CCC(C)CN1CC(C1)C 2230a_100000702820_100000748023 [1,0,0,1,0,0|1,0,0]=3 9960 B10R1.150 CCC(C)CN1CC(C1)C 269982a_100000702820_100000748023 [1,0,0,1,0,0|1,0,0]=3 9961 B10R1.150 CCC(C)CN1CC(C1)C 270004a_100000702820_100000243153 [1,0,0,1,0,0|1,0,0]=3 9962 B10R1.150 CCC(C)CN1CC(C1)C 34a_100000702820_100000748023 [1,0,0,1,0,0|1,0,0]=3 9963 B10R1.150 CCC(C)CN1CC(C1)F 2230a_100000690557_100000748023 [1,0,0,1,0,0|2,0,0]=4 9964 B10R1.150 CCC(C)CN1CC(C1)F 269982a_100000690557_100000748023 [1,0,0,1,0,0|2,0,0]=4 9965 B10R1.150 CCC(C)CN1CC(C1)F 270004a_100000690557_100000243153 [1,0,0,1,0,0|2,0,0]=4 9966 B10R1.150 CCC(C)CN1CC(C1)F 34a_100000690557_100000748023 [1,0,0,1,0,0|2,0,0]=4 9967 B10R1.150 CCC(C)CN1CC(C1)O 269982a_100000749847_100000748023 [1,0,0,1,0,0|2,0,0]=4 9968 B10R1.150 CCC(C)NC1CC(C1)F 2230a_100016993743_100000758301 [1,0,0,1,0,0|2,0,0]=4 9969 B10R1.150 CCC(C)N[C@H]1C[C@@H](C1)O 2230a_100020629032_100000758301 [1,0,0,1,0,0|2,0,0]=4 9970 B10R1.150 CCC(O)CN1CC(C1)C 2230a_100000702820_100011218378 [1,0,0,1,0,0|2,0,0]=4 9971 B10R1.150 CCC(O)CN1CC(C1)C 269982a_100000702820_100011218378 [1,0,0,1,0,0|2,0,0]=4 9972 B10R1.150 CCC(O)CN1CC(C1)C 34a_100000702820_100011218378 [1,0,0,1,0,0|2,0,0]=4 9973 B10R1.150 CC[C@H](C)CN1CC(C1)C 2230a_100000702820_100009816398 [1,0,0,1,0,0|1,0,0]=3 9974 B10R1.150 CC[C@H](C)CN1CC(C1)C 269982a_100000702820_100009816398 [1,0,0,1,0,0|1,0,0]=3 9975 B10R1.150 CC[C@H](C)CN1CC(C1)C 34a_100000702820_100009816398 [1,0,0,1,0,0|1,0,0]=3 9976 B10R1.150 CC[C@H](C)CN1CC(C1)F 2230a_100000690557_100009816398 [1,0,0,1,0,0|2,0,0]=4 9977 B10R1.150 CC[C@H](C)CN1CC(C1)F 269982a_100000690557_100009816398 [1,0,0,1,0,0|2,0,0]=4 9978 B10R1.150 CC[C@H](C)CN1CC(C1)F 34a_100000690557_100009816398 [1,0,0,1,0,0|2,0,0]=4 9979 B10R1.150 CC[C@H](C)CN1CC(C1)O 269982a_100000749847_100009816398 [1,0,0,1,0,0|2,0,0]=4 9980 B10R1.150 C[C@@H](CO)CN1CC(C1)F 2230a_100000690557_100000059175 [1,0,0,1,0,0|2,0,0]=4 9981 B10R1.150 C[C@@H](CO)CN1CC(C1)F 269982a_100000690557_100000059175 [1,0,0,1,0,0|2,0,0]=4 9982 B10R1.150 C[C@@H](CO)CN1CC(C1)F 34a_100000690557_100000059175 [1,0,0,1,0,0|2,0,0]=4 9983 B10R1.150 C[C@@H](CO)CN1CC(C1)O 269982a_100000749847_100000059175 [1,0,0,1,0,0|2,0,0]=4 9984 B10R1.153 CC(CF)OCCC1CC1 34a_100016041109_100000694398 [1,0,0,1,0,0|2,0,0]=4 9985 B10R1.153 CC(CF)OCCC1CC1 7a_100016041109_100000764125 [1,0,0,1,0,0|2,0,0]=4 9986 B10R1.153 CC(CN)COCC1CC1 34a_100000744482_100000742324 [1,0,0,1,0,0|2,0,0]=4 9987 B10R1.153 CC(CN)OCCC1CC1 34a_100000210904_100000694398 [1,0,0,1,0,0|2,0,0]=4 9988 B10R1.153 CC(CO)CCNC1CC1 34a_106354213184_100000211595 [1,0,0,1,0,0|1,0,0]=3 9989 B10R1.153 CC(CO)CNCC1CC1 269862a_100000744482_100000741477 [1,0,0,1,0,0|1,0,0]=3 9990 B10R1.153 CC(CO)CNCC1CC1 34a_100000744482_100000742324 [1,0,0,1,0,0|1,0,0]=3 9991 B10R1.153 CC(CO)CNCC1CO1 34a_100000744482_102125554688 [1,0,0,1,0,0|2,0,0]=4 9992 B10R1.153 CC(CO)NCCC1CC1 34a_100000764129_100012180447 [1,0,0,1,0,0|1,0,0]=3 9993 B10R1.153 CC(CO)OCCC1CC1 34a_100000754188_100012180447 [1,0,0,1,0,0|1,0,0]=3 9994 B10R1.153 CC(CO)OCCC1CC1 7a_100000754188_100012180447 [1,0,0,1,0,0|1,0,0]=3 9995 B10R1.153 CC(CO)OCC[C@@H]1CO1 34a_100009820653_100012180447 [1,0,0,1,0,0|2,0,0]=4 9996 B10R1.153 CC(CO)SCCC1CC1 62a_100012180447_100000764125 [1,0,0,1,0,0|1,0,0]=3 9997 B10R1.153 CC(CO)SCCC1CO1 62a_100012180447_100000732470 [1,0,0,1,0,0|2,0,0]=4 9998 B10R1.153 CCC(C)CNCC1CC1 2230a_100000735609_100000748023 [1,0,0,1,0,0|1,0,0]=3 9999 B10R1.153 CCC(C)CNCC1CC1 2230a_100020588543_100000742324 [1,0,0,1,0,0|1,0,0]=3 10000 B10R1.153 CCC(C)CNCC1CC1 269862a_100020588543_100000741477 [1,0,0,1,0,0|1,0,0]=3 10001 B10R1.153 CCC(C)CNCC1CC1 270004a_100000735609_100000243153 [1,0,0,1,0,0|1,0,0]=3 10002 B10R1.153 CCC(C)CNCC1CC1 34a_100000735609_100000748023 [1,0,0,1,0,0|1,0,0]=3 10003 B10R1.153 CCC(C)CNCC1CO1 2230a_100020588543_100011216344 [1,0,0,1,0,0|2,0,0]=4 10004 B10R1.153 CCC(C)COCC1CC1 34a_100000211283_100000748023 [1,0,0,1,0,0|1,0,0]=3 10005 B10R1.153 CCC(C)COC[C@@H]1CO1 34a_100000757423_100000748023 [1,0,0,1,0,0|2,0,0]=4 10006 B10R1.153 CCC(C)CSCC1CC1 62a_100000748023_100000742324 [1,0,0,1,0,0|1,0,0]=3 10007 B10R1.153 CCC(C)CSCC1CC1 62a_100000756562_100000748023 [1,0,0,1,0,0|1,0,0]=3 10008 B10R1.153 CCC(C)CSCC1CO1 62a_100000748023_102125554688 [1,0,0,1,0,0|2,0,0]=4 10009 B10R1.153 CCC(C)CSCC1CO1 62a_102125554688_100000748023 [1,0,0,1,0,0|2,0,0]=4 10010 B10R1.153 CCC(C)CSCC1CS1 62a_100000031435_100000748023 [1,0,0,1,0,0|2,0,0]=4 10011 B10R1.153 CCC(C)CSCC1CS1 62a_100000748023_100000031435 [1,0,0,1,0,0|2,0,0]=4 10012 B10R1.153 CCC(C)CSC[C@@H]1CO1 62a_100000745022_100000748023 [1,0,0,1,0,0|2,0,0]=4 10013 B10R1.153 CCC(C)CSC[C@@H]1CO1 62a_100000748023_100000745022 [1,0,0,1,0,0|2,0,0]=4 10014 B10R1.153 CCC(C)NCCC1CC1 2230a_100000209981_100000694398 [1,0,0,1,0,0|1,0,0]=3 10015 B10R1.153 CCC(C)NCCC1CC1 34a_100000764129_100011215416 [1,0,0,1,0,0|1,0,0]=3 10016 B10R1.153 CCC(C)NCCC1CO1 2230a_100000209981_100000732470 [1,0,0,1,0,0|2,0,0]=4 10017 B10R1.153 CCC(C)OCCC1CC1 34a_100000754188_100011215416 [1,0,0,1,0,0|1,0,0]=3 10018 B10R1.153 CCC(C)OCCC1CC1 7a_100000210228_100000764125 [1,0,0,1,0,0|1,0,0]=3 10019 B10R1.153 CCC(C)OCCC1CC1 7a_100000754188_100000758301 [1,0,0,1,0,0|1,0,0]=3 10020 B10R1.153 CCC(C)OCCC1CO1 7a_100000210228_100000732470 [1,0,0,1,0,0|2,0,0]=4 10021 B10R1.153 CCC(C)OCC[C@@H]1CO1 34a_100009820653_100011215416 [1,0,0,1,0,0|2,0,0]=4 10022 B10R1.153 CCC(C)SCCC1CC1 62a_100000758301_100000764125 [1,0,0,1,0,0|1,0,0]=3 10023 B10R1.153 CCC(C)SCCC1CC1 62a_100000764125_100000758301 [1,0,0,1,0,0|1,0,0]=3 10024 B10R1.153 CCC(C)SCCC1CO1 62a_100000732470_100000758301 [1,0,0,1,0,0|2,0,0]=4 10025 B10R1.153 CCC(C)SCCC1CO1 62a_100000758301_100000732470 [1,0,0,1,0,0|2,0,0]=4 10026 B10R1.153 CCC(O)CNCC1CC1 2230a_100000735609_100011218378 [1,0,0,1,0,0|2,0,0]=4 10027 B10R1.153 CCC(O)CNCC1CC1 2230a_100011218483_100000742324 [1,0,0,1,0,0|2,0,0]=4 10028 B10R1.153 CCC(O)CNCC1CC1 269862a_100011218483_100000741477 [1,0,0,1,0,0|2,0,0]=4 10029 B10R1.153 CCC(O)CNCC1CC1 34a_100000735609_100011218378 [1,0,0,1,0,0|2,0,0]=4 10030 B10R1.153 CCC(O)COCC1CC1 34a_100000211283_100011218378 [1,0,0,1,0,0|2,0,0]=4 10031 B10R1.153 CCC(O)CSCC1CC1 62a_100000756562_100011218378 [1,0,0,1,0,0|2,0,0]=4 10032 B10R1.153 CCC(O)CSCC1CC1 62a_100011218378_100000742324 [1,0,0,1,0,0|2,0,0]=4 10033 B10R1.153 CCN(C)CCCC1CO1 2230a_100000225621_100000733510 [1,0,0,1,0,0|2,0,0]=4 10034 B10R1.153 CCN(C)CCCC1CO1 269982a_100000225621_100000733510 [1,0,0,1,0,0|2,0,0]=4 10035 B10R1.153 CC[C@H](C)CNCC1CC1 2230a_100000735609_100009816398 [1,0,0,1,0,0|1,0,0]=3 10036 B10R1.153 CC[C@H](C)CNCC1CC1 34a_100000735609_100009816398 [1,0,0,1,0,0|1,0,0]=3 10037 B10R1.153 CC[C@H](C)COCC1CC1 34a_100000211283_100009816398 [1,0,0,1,0,0|1,0,0]=3 10038 B10R1.153 CC[C@H](C)COCC1CC1 7a_100009816381_100000742324 [1,0,0,1,0,0|1,0,0]=3 10039 B10R1.153 CC[C@H](C)COCC1CO1 7a_100009816381_102125554688 [1,0,0,1,0,0|2,0,0]=4 10040 B10R1.153 CC[C@H](C)COCC1CS1 7a_100009816381_100000031435 [1,0,0,1,0,0|2,0,0]=4 10041 B10R1.153 CC[C@H](C)COC[C@@H]1CO1 34a_100000757423_100009816398 [1,0,0,1,0,0|2,0,0]=4 10042 B10R1.153 CC[C@H](C)COC[C@@H]1CO1 7a_100009816381_100000745022 [1,0,0,1,0,0|2,0,0]=4 10043 B10R1.153 CC[C@H](C)CSCC1CC1 62a_100000756562_100009816398 [1,0,0,1,0,0|1,0,0]=3 10044 B10R1.153 CC[C@H](C)CSCC1CC1 62a_100009816398_100000742324 [1,0,0,1,0,0|1,0,0]=3 10045 B10R1.153 CC[C@H](C)CSCC1CO1 62a_100009816398_102125554688 [1,0,0,1,0,0|2,0,0]=4 10046 B10R1.153 CC[C@H](C)CSCC1CO1 62a_102125554688_100009816398 [1,0,0,1,0,0|2,0,0]=4 10047 B10R1.153 CC[C@H](C)CSCC1CS1 62a_100000031435_100009816398 [1,0,0,1,0,0|2,0,0]=4 10048 B10R1.153 CC[C@H](C)CSCC1CS1 62a_100009816398_100000031435 [1,0,0,1,0,0|2,0,0]=4 10049 B10R1.153 CC[C@H](C)CSC[C@@H]1CO1 62a_100000745022_100009816398 [1,0,0,1,0,0|2,0,0]=4 10050 B10R1.153 CC[C@H](C)CSC[C@@H]1CO1 62a_100009816398_100000745022 [1,0,0,1,0,0|2,0,0]=4 10051 B10R1.153 COC(C)COCC1CC1 34a_100000690652_100000742324 [1,0,0,1,0,0|2,0,0]=4 10052 B10R1.153 COC(C)SCCC1CC1 62a_100000764125_100009879195 [1,0,0,1,0,0|2,0,0]=4 10053 B10R1.153 COC(C)SCCC1CC1 62a_100009879195_100000764125 [1,0,0,1,0,0|2,0,0]=4 10054 B10R1.153 CO[C@H](C)CNCC1CC1 2230a_100020591295_100000742324 [1,0,0,1,0,0|2,0,0]=4 10055 B10R1.153 CO[C@H](C)CNCC1CC1 269862a_100020591295_100000741477 [1,0,0,1,0,0|2,0,0]=4 10056 B10R1.153 C[C@@H](CO)CNCC1CC1 2230a_100000735609_100000059175 [1,0,0,1,0,0|1,0,0]=3 10057 B10R1.153 C[C@@H](CO)CNCC1CC1 34a_100000735609_100000059175 [1,0,0,1,0,0|1,0,0]=3 10058 B10R1.153 C[C@@H](CO)COCC1CC1 34a_100000211283_100000059175 [1,0,0,1,0,0|1,0,0]=3 10059 B10R1.153 C[C@@H](CO)COC[C@@H]1CO1 34a_100000757423_100000059175 [1,0,0,1,0,0|2,0,0]=4 10060 B10R1.153 C[C@@H](CO)CSCC1CC1 62a_100000059175_100000742324 [1,0,0,1,0,0|1,0,0]=3 10061 B10R1.153 C[C@@H](CO)CSCC1CC1 62a_100000756562_100000059175 [1,0,0,1,0,0|1,0,0]=3 10062 B10R1.153 C[C@@H](CO)CSCC1CO1 62a_100000059175_102125554688 [1,0,0,1,0,0|2,0,0]=4 10063 B10R1.153 C[C@@H](CO)CSCC1CO1 62a_102125554688_100000059175 [1,0,0,1,0,0|2,0,0]=4 10064 B10R1.153 C[C@@H](CO)CSCC1CS1 62a_100000031435_100000059175 [1,0,0,1,0,0|2,0,0]=4 10065 B10R1.153 C[C@@H](CO)CSCC1CS1 62a_100000059175_100000031435 [1,0,0,1,0,0|2,0,0]=4 10066 B10R1.153 C[C@@H](CO)CSC[C@@H]1CO1 62a_100000059175_100000745022 [1,0,0,1,0,0|2,0,0]=4 10067 B10R1.153 C[C@@H](CO)CSC[C@@H]1CO1 62a_100000745022_100000059175 [1,0,0,1,0,0|2,0,0]=4 10068 B10R1.153 C[C@H](CO)NCCC1CC1 2230a_100000737577_100000694398 [1,0,0,1,0,0|1,0,0]=3 10069 B10R1.153 C[C@H](CO)NCCC1CO1 2230a_100000737577_100000732470 [1,0,0,1,0,0|2,0,0]=4 10070 B10R1.153 C[C@H](CO)SCCC1CC1 62a_100000764125_100016084084 [1,0,0,1,0,0|1,0,0]=3 10071 B10R1.153 C[C@H](CO)SCCC1CC1 62a_100016084084_100000764125 [1,0,0,1,0,0|1,0,0]=3 10072 B10R1.153 C[C@H](CO)SCCC1CO1 62a_100000732470_100016084084 [1,0,0,1,0,0|2,0,0]=4 10073 B10R1.153 C[C@H](CO)SCCC1CO1 62a_100016084084_100000732470 [1,0,0,1,0,0|2,0,0]=4 10074 B10R1.153 OCC(O)CNCC1CC1 2230a_100000735609_100011219619 [1,0,0,1,0,0|2,0,0]=4 10075 B10R1.153 OCC(O)CNCC1CC1 34a_100000735609_100011219619 [1,0,0,1,0,0|2,0,0]=4 10076 B10R1.153 OCC(O)COCC1CC1 34a_100000211283_100011219619 [1,0,0,1,0,0|2,0,0]=4 10077 B10R1.153 OCC(O)CSCC1CC1 62a_100000756562_100011219619 [1,0,0,1,0,0|2,0,0]=4 10078 B10R1.153 OCC(O)CSCC1CC1 62a_100011219619_100000742324 [1,0,0,1,0,0|2,0,0]=4 10079 B10R1.153 OC[C@@H](O)CNCC1CC1 2230a_100020644852_100000742324 [1,0,0,1,0,0|2,0,0]=4 10080 B10R1.153 OC[C@@H](O)CNCC1CC1 269862a_100020644852_100000741477 [1,0,0,1,0,0|2,0,0]=4 10081 B10R1.153 OC[C@H](F)CNCC1CC1 269862a_100015665980_100000741477 [1,0,0,1,0,0|2,0,0]=4 10082 B10R1.153 OC[C@H](F)CNCC1CC1 34a_100015665980_100000742324 [1,0,0,1,0,0|2,0,0]=4 10083 B10R1.153 OC[C@H](O)CNCC1CC1 2230a_100000735609_100009815848 [1,0,0,1,0,0|2,0,0]=4 10084 B10R1.153 OC[C@H](O)CNCC1CC1 34a_100000735609_100009815848 [1,0,0,1,0,0|2,0,0]=4 10085 B10R1.153 OC[C@H](O)COCC1CC1 34a_100000211283_100009815848 [1,0,0,1,0,0|2,0,0]=4 10086 B10R1.153 OC[C@H](O)CSCC1CC1 62a_100000756562_100009815848 [1,0,0,1,0,0|2,0,0]=4 10087 B10R1.153 OC[C@H](O)CSCC1CC1 62a_100009815848_100000742324 [1,0,0,1,0,0|2,0,0]=4 10088 B10R1.168 CC(C)CC1CN(C1)CF 269982a_214813039686_100015361967 [1,0,0,1,0,0|2,0,0]=4 10089 B10R1.168 CC(C)CC1CN(C1)CF 34a_214813039686_100015361967 [1,0,0,1,0,0|2,0,0]=4 10090 B10R1.168 CC(C)CN1CC(C1)CF 269982a_100010363649_100000210624 [1,0,0,1,0,0|2,0,0]=4 10091 B10R1.168 CC(C)CN1CC(C1)CF 34a_100010363649_100000210624 [1,0,0,1,0,0|2,0,0]=4 10092 B10R1.168 CC(C)CN1CC(C1)CO 269982a_100016987283_100000210624 [1,0,0,1,0,0|1,0,0]=3 10093 B10R1.168 CC(C)CN1CC(C1)CO 34a_100016987283_100000210624 [1,0,0,1,0,0|1,0,0]=3 10094 B10R1.168 CC(C)SC1CC(C1)CO 62a_100000210206_100009874164 [1,0,0,1,0,0|1,0,0]=3 10095 B10R1.168 CC(C)SC1CC(C1)CO 62a_100009874164_100000210206 [1,0,0,1,0,0|1,0,0]=3 10096 B10R1.168 CC(O)CN1CC(C1)CO 269982a_100016987283_100011218427 [1,0,0,1,0,0|2,0,0]=4 10097 B10R1.168 CC(O)CN1CC(C1)CO 34a_100016987283_100011218427 [1,0,0,1,0,0|2,0,0]=4 10098 B10R1.168 CCC1CN(C1)CC(C)C 2230a_100015205115_100000210760 [1,0,0,1,0,0|1,0,0]=3 10099 B10R1.168 CCC1CN(C1)CC(C)C 269982a_100015205115_100000210624 [1,0,0,1,0,0|1,0,0]=3 10100 B10R1.168 CCC1CN(C1)CC(C)C 270004a_100015205115_100000210432 [1,0,0,1,0,0|1,0,0]=3 10101 B10R1.168 CCC1CN(C1)CC(C)O 2230a_100015205115_100011218427 [1,0,0,1,0,0|2,0,0]=4 10102 B10R1.168 CCC1CN(C1)CC(C)O 269982a_100015205115_100011218427 [1,0,0,1,0,0|2,0,0]=4 10103 B10R1.168 CCC1CN(C1)C[C@@H](C)O 2230a_100015205115_100009817552 [1,0,0,1,0,0|2,0,0]=4 10104 B10R1.168 CCC1CN(C1)C[C@@H](C)O 269982a_100015205115_100009817552 [1,0,0,1,0,0|2,0,0]=4 10105 B10R1.168 CCN1CC(C1)CC(C)C 2230a_214813039686_100000210202 [1,0,0,1,0,0|1,0,0]=3 10106 B10R1.168 CCN1CC(C1)CC(C)C 269982a_214813039686_100000204670 [1,0,0,1,0,0|1,0,0]=3 10107 B10R1.168 CCN1CC(C1)CC(C)C 34a_214813039686_100000210202 [1,0,0,1,0,0|1,0,0]=3 10108 B10R1.168 CCN1CC(C1)CN(C)C 269982a_100015199603_100000204670 [1,0,0,1,0,0|2,0,0]=4 10109 B10R1.168 CCN1CC(C1)NC(C)C 2230a_200015199589_100000210206 [1,0,0,1,0,0|2,0,0]=4 10110 B10R1.168 CCN1CC(C1)OC(C)C 2230a_100000698322_100000210202 [1,0,0,1,0,0|2,0,0]=4 10111 B10R1.168 CCN1CC(C1)OC(C)C 269982a_100000698322_100000204670 [1,0,0,1,0,0|2,0,0]=4 10112 B10R1.168 CCN1CC(C1)OC(C)C 34a_100000698322_100000210202 [1,0,0,1,0,0|2,0,0]=4 10113 B10R1.168 COC1CN(C1)CC(C)C 269982a_100000755009_100000210624 [1,0,0,1,0,0|2,0,0]=4 10114 B10R1.168 CO[C@H]1C[C@@H](C1)NC(C)C 2230a_100121570643_100000210206 [1,0,0,1,0,0|2,0,0]=4 10115 B10R1.168 CSC1CN(C1)CC(C)C 269982a_100016990038_100000210624 [1,0,0,1,0,0|2,0,0]=4 10116 B10R1.168 CSC1CN(C1)CC(C)C 270004a_100016990038_100000210432 [1,0,0,1,0,0|2,0,0]=4 10117 B10R1.168 C[C@@H](O)CN1CC(C1)CO 269982a_100016987283_100009817552 [1,0,0,1,0,0|2,0,0]=4 10118 B10R1.168 C[C@@H](O)CN1CC(C1)CO 34a_100016987283_100009817552 [1,0,0,1,0,0|2,0,0]=4 10119 B10R1.171 CC1(CC(CCO1)N[13CH3])C 2230a_100000696200_200025704644 [1,0,0,1,0,0|2,0,0]=4 10120 B10R1.171 CC1(CC(CCO1)O[13CH3])C 34a_100000693217_200025704644 [1,0,0,1,0,0|2,0,0]=4 10121 B10R1.171 CC1(CC(CCO1)O[13CH3])C 7a_100000693217_200025704644 [1,0,0,1,0,0|2,0,0]=4 10122 B10R1.171 CC1(CC(CCO1)S[13CH3])C 62a_100010191092_200025704644 [1,0,0,1,0,0|2,0,0]=4 10123 B10R1.171 CC1(CC(CCO1)S[13CH3])C 62a_200025704644_100010191092 [1,0,0,1,0,0|2,0,0]=4 10124 B10R1.171 CC1(CCCC(C1)O[13CH3])C 7a_100011995757_200025704644 [1,0,0,1,0,0|1,0,0]=3 10125 B10R1.171 CC1(CCCN(C1)CF)C 269982a_100000716857_100015361967 [1,0,0,1,0,0|2,0,0]=4 10126 B10R1.171 CC1(CCCN(C1)CF)C 34a_100000716857_100015361967 [1,0,0,1,0,0|2,0,0]=4 10127 B10R1.171 CCN1CCCC(C1)(C)C 2230a_100000716857_100000210202 [1,0,0,1,0,0|1,0,0]=3 10128 B10R1.171 CCN1CCCC(C1)(C)C 269982a_100000716857_100000204670 [1,0,0,1,0,0|1,0,0]=3 10129 B10R1.171 CCN1CCCC(C1)(C)C 34a_100000716857_100000210202 [1,0,0,1,0,0|1,0,0]=3 10130 B10R1.171 CCN1CCCC(C1)(C)O 2230a_100000695535_100000210202 [1,0,0,1,0,0|2,0,0]=4 10131 B10R1.171 CCN1CCCC(C1)(C)O 269982a_100000695535_100000204670 [1,0,0,1,0,0|2,0,0]=4 10132 B10R1.171 CCN1CCOC(C1)(C)C 2230a_100000738910_100000210202 [1,0,0,1,0,0|2,0,0]=4 10133 B10R1.171 CCN1CCOC(C1)(C)C 269982a_100000738910_100000204670 [1,0,0,1,0,0|2,0,0]=4 10134 B10R1.171 CCN1CCOC(C1)(C)C 34a_100000738910_100000210202 [1,0,0,1,0,0|2,0,0]=4 10135 B10R1.171 CNC1CCCC(C1)(C)C 270004a_106832991635_100000031663 [1,0,0,1,0,0|1,0,0]=3 10136 B10R1.171 CNC1CCNC(C1)(C)C 270004a_106832991635_100015191244 [1,0,0,1,0,0|2,0,0]=4 10137 B10R1.171 CNC1CCOC(C1)(C)C 2230a_100000696200_200000210301 [1,0,0,1,0,0|2,0,0]=4 10138 B10R1.171 CNC1CCOC(C1)(C)C 270004a_106832991635_100000755756 [1,0,0,1,0,0|2,0,0]=4 10139 B10R1.171 CNC1CCOC(C1)(C)C 34a_100102657272_100010191092 [1,0,0,1,0,0|2,0,0]=4 10140 B10R1.171 CNC1CCOC(C1)(C)C 7a_106832991635_100010191092 [1,0,0,1,0,0|2,0,0]=4 10141 B10R1.171 COC1CCCC(C1)(C)C 7a_100011995757_200000210301 [1,0,0,1,0,0|1,0,0]=3 10142 B10R1.171 COC1CCOC(C1)(C)C 34a_100000693217_200000210301 [1,0,0,1,0,0|2,0,0]=4 10143 B10R1.171 COC1CCOC(C1)(C)C 34a_100138415774_100010191092 [1,0,0,1,0,0|2,0,0]=4 10144 B10R1.171 COC1CCOC(C1)(C)C 7a_100000693217_200000210301 [1,0,0,1,0,0|2,0,0]=4 10145 B10R1.171 CSC1CCOC(C1)(C)C 62a_100010191092_200000210301 [1,0,0,1,0,0|2,0,0]=4 10146 B10R1.171 CSC1CCOC(C1)(C)C 62a_200000210301_100010191092 [1,0,0,1,0,0|2,0,0]=4 10147 B10R1.197 CC1CCCN(CC1)CF 269982a_100025706717_100015361967 [1,0,0,1,0,0|2,0,0]=4 10148 B10R1.197 CC1CCCN(CC1)CF 34a_100025706717_100015361967 [1,0,0,1,0,0|2,0,0]=4 10149 B10R1.197 CCC1CCCN(CC1)C 2230a_100000757272_200000210301 [1,0,0,1,0,0|1,0,0]=3 10150 B10R1.197 CCC1CCCN(CC1)C 269982a_100000757272_200000210301 [1,0,0,1,0,0|1,0,0]=3 10151 B10R1.197 CCC1CCCN(CC1)C 34a_100000757272_200000210301 [1,0,0,1,0,0|1,0,0]=3 10152 B10R1.197 CCC1CCCN(CC1)[13CH3] 2230a_100000757272_200025704644 [1,0,0,1,0,0|1,0,0]=3 10153 B10R1.197 CCC1CCCN(CC1)[13CH3] 269982a_100000757272_200025704644 [1,0,0,1,0,0|1,0,0]=3 10154 B10R1.197 CCC1CCCN(CC1)[13CH3] 34a_100000757272_200025704644 [1,0,0,1,0,0|1,0,0]=3 10155 B10R1.197 CCN1CCCC(CC1)C 2230a_100025706717_100000210202 [1,0,0,1,0,0|1,0,0]=3 10156 B10R1.197 CCN1CCCC(CC1)C 269982a_100025706717_100000204670 [1,0,0,1,0,0|1,0,0]=3 10157 B10R1.197 CCN1CCCC(CC1)C 34a_100025706717_100000210202 [1,0,0,1,0,0|1,0,0]=3 10158 B10R1.197 CCN1CCCC(CC1)O 2230a_100015186869_100000210202 [1,0,0,1,0,0|2,0,0]=4 10159 B10R1.197 CCN1CCCC(CC1)O 269982a_100015186869_100000204670 [1,0,0,1,0,0|2,0,0]=4 10160 B10R1.197 CCN1CCCN(CC1)C 2230a_100000211313_100000210202 [1,0,0,1,0,0|2,0,0]=4 10161 B10R1.197 CCN1CCCN(CC1)C 2230a_100000748291_200000210301 [1,0,0,1,0,0|2,0,0]=4 10162 B10R1.197 CCN1CCCN(CC1)C 269982a_100000211313_100000204670 [1,0,0,1,0,0|2,0,0]=4 10163 B10R1.197 CCN1CCCN(CC1)C 269982a_100000748291_200000210301 [1,0,0,1,0,0|2,0,0]=4 10164 B10R1.197 CCN1CCCN(CC1)[13CH3] 2230a_100000748291_200025704644 [1,0,0,1,0,0|2,0,0]=4 10165 B10R1.197 CCN1CCCN(CC1)[13CH3] 269982a_100000748291_200025704644 [1,0,0,1,0,0|2,0,0]=4 10166 B10R1.197 COC1CCCN(CC1)C 2230a_100016993962_200000210301 [1,0,0,1,0,0|2,0,0]=4 10167 B10R1.197 COC1CCCN(CC1)C 269982a_100016993962_200000210301 [1,0,0,1,0,0|2,0,0]=4 10168 B10R1.197 COC1CCCN(CC1)C 34a_100016993962_200000210301 [1,0,0,1,0,0|2,0,0]=4 10169 B10R1.197 COC1CCCN(CC1)[13CH3] 2230a_100016993962_200025704644 [1,0,0,1,0,0|2,0,0]=4 10170 B10R1.197 COC1CCCN(CC1)[13CH3] 269982a_100016993962_200025704644 [1,0,0,1,0,0|2,0,0]=4 10171 B10R1.197 COC1CCCN(CC1)[13CH3] 34a_100016993962_200025704644 [1,0,0,1,0,0|2,0,0]=4 10172 B10R1.206 CC(CO)OCC1CC1C 34a_100000744939_100012180447 [1,0,0,1,0,0|1,0,0]=3 10173 B10R1.206 CC(CO)OCC1CC1C 7a_100000744939_100012180447 [1,0,0,1,0,0|1,0,0]=3 10174 B10R1.206 CCC(C)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000748023 [1,0,0,1,0,0|2,0,0]=4 10175 B10R1.206 CCC(C)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000748023 [1,0,0,1,0,0|2,0,0]=4 10176 B10R1.206 CCC(C)CN[C@@H]1C[C@H]1F 34a_100025746932_100000748023 [1,0,0,1,0,0|2,0,0]=4 10177 B10R1.206 CCC(C)OCC1CC1C 34a_100000744939_100011215416 [1,0,0,1,0,0|1,0,0]=3 10178 B10R1.206 CCC(C)OCC1CC1C 7a_100000744939_100000758301 [1,0,0,1,0,0|1,0,0]=3 10179 B10R1.206 CC[C@H](C)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100009816398 [1,0,0,1,0,0|2,0,0]=4 10180 B10R1.206 CC[C@H](C)CN[C@@H]1C[C@H]1F 2230a_100025746932_100009816398 [1,0,0,1,0,0|2,0,0]=4 10181 B10R1.206 CC[C@H](C)CN[C@@H]1C[C@H]1F 34a_100025746932_100009816398 [1,0,0,1,0,0|2,0,0]=4 10182 B10R1.206 C[C@@H](CO)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000059175 [1,0,0,1,0,0|2,0,0]=4 10183 B10R1.206 C[C@@H](CO)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000059175 [1,0,0,1,0,0|2,0,0]=4 10184 B10R1.206 C[C@@H](CO)CN[C@@H]1C[C@H]1F 34a_100025746932_100000059175 [1,0,0,1,0,0|2,0,0]=4 10185 B10R1.277 CC1CN(CCCN1C)C 269982a_100011935175_200000210301 [1,0,0,1,0,0|2,0,0]=4 10186 B10R1.277 CC1CN(CCCN1[13CH3])C 269982a_100011935175_200025704644 [1,0,0,1,0,0|2,0,0]=4 10187 B10R1.302 CC1(CCCN(CC1)[13CH3])O 2230a_100000723723_200025704644 [1,0,0,1,0,0|2,0,0]=4 10188 B10R1.302 CC1(CCCN(CC1)[13CH3])O 269982a_100000723723_200025704644 [1,0,0,1,0,0|2,0,0]=4 10189 B10R1.302 CC1(CCCN(CC1)[13CH3])O 34a_100000723723_200025704644 [1,0,0,1,0,0|2,0,0]=4 10190 B10R1.302 CN1CCCC(CC1)(C)O 2230a_100000723723_200000210301 [1,0,0,1,0,0|2,0,0]=4 10191 B10R1.302 CN1CCCC(CC1)(C)O 269982a_100000723723_200000210301 [1,0,0,1,0,0|2,0,0]=4 10192 B10R1.302 CN1CCCC(CC1)(C)O 34a_100000723723_200000210301 [1,0,0,1,0,0|2,0,0]=4 10193 B10R1.350 CC(Br)COCC1(CO1)C 34a_100012180447_100000760498 [1,0,0,1,0,0|2,0,0]=4 10194 B10R1.350 CC(C)CCNC1(CC1)C 2230a_100000757604_100000210312 [1,0,0,1,0,0|1,0,0]=3 10195 B10R1.350 CC(C)CCOC1(CC1)C 7a_100011725673_100000210626 [1,0,0,1,0,0|1,0,0]=3 10196 B10R1.350 CC(C)CNCC1(CC1)C 2230a_100000766693_100000210760 [1,0,0,1,0,0|1,0,0]=3 10197 B10R1.350 CC(C)CNCC1(CC1)C 270004a_100000766693_100000210432 [1,0,0,1,0,0|1,0,0]=3 10198 B10R1.350 CC(C)CNCC1(CC1)O 2230a_100011936951_100000210760 [1,0,0,1,0,0|2,0,0]=4 10199 B10R1.350 CC(C)CNCC1(CC1)O 270004a_100011936951_100000210432 [1,0,0,1,0,0|2,0,0]=4 10200 B10R1.350 CC(C)CNCC1(CO1)C 34a_100000210953_100000760498 [1,0,0,1,0,0|1,0,0]=3 10201 B10R1.350 CC(C)COCC1(CC1)C 7a_100000698024_100000210760 [1,0,0,1,0,0|1,0,0]=3 10202 B10R1.350 CC(C)COCC1(CC1)F 34a_200000703853_100000210624 [1,0,0,1,0,0|2,0,0]=4 10203 B10R1.350 CC(C)COCC1(CC1)F 7a_200000703853_100000210760 [1,0,0,1,0,0|2,0,0]=4 10204 B10R1.350 CC(C)COCC1(CO1)C 34a_100000210257_100000760498 [1,0,0,1,0,0|1,0,0]=3 10205 B10R1.350 CC(C)CSCC1(CO1)C 62a_100000210624_100000760498 [1,0,0,1,0,0|1,0,0]=3 10206 B10R1.350 CC(C)CSCC1(CO1)C 62a_100000760498_100000210760 [1,0,0,1,0,0|1,0,0]=3 10207 B10R1.350 CC(C)OCNC1(CC1)C 2230a_100000757604_100000709892 [1,0,0,1,0,0|2,0,0]=4 10208 B10R1.350 CC(F)COCC1(CO1)C 34a_100015925927_100000760498 [1,0,0,1,0,0|2,0,0]=4 10209 B10R1.350 CC(O)CCNC1(CC1)C 2230a_100000757604_100012276601 [1,0,0,1,0,0|2,0,0]=4 10210 B10R1.350 CC(O)CCOC1(CC1)C 7a_100011725673_100012276601 [1,0,0,1,0,0|2,0,0]=4 10211 B10R1.350 CC(O)CNCC1(CC1)C 2230a_100000766693_100011218427 [1,0,0,1,0,0|2,0,0]=4 10212 B10R1.350 CC(O)CNCC1(CO1)C 34a_100000210904_100000760498 [1,0,0,1,0,0|2,0,0]=4 10213 B10R1.350 CC(O)COCC1(CC1)C 7a_100000698024_100011218427 [1,0,0,1,0,0|2,0,0]=4 10214 B10R1.350 CC(O)CSCC1(CO1)C 62a_100000760498_100011218427 [1,0,0,1,0,0|2,0,0]=4 10215 B10R1.350 CC(O)CSCC1(CO1)C 62a_100011218427_100000760498 [1,0,0,1,0,0|2,0,0]=4 10216 B10R1.350 CN(C)CCOC1(CC1)C 7a_100011725673_100000755713 [1,0,0,1,0,0|2,0,0]=4 10217 B10R1.350 C[C@@H](Cl)COCC1(CO1)C 34a_100016084084_100000760498 [1,0,0,1,0,0|2,0,0]=4 10218 B10R1.350 C[C@@H](N)COCC1(CO1)C 34a_100000737577_100000760498 [1,0,0,1,0,0|2,0,0]=4 10219 B10R1.350 C[C@@H](O)CNCC1(CC1)C 2230a_100000766693_100009817552 [1,0,0,1,0,0|2,0,0]=4 10220 B10R1.350 C[C@@H](O)COCC1(CC1)C 7a_100000698024_100009817552 [1,0,0,1,0,0|2,0,0]=4 10221 B10R1.350 C[C@@H](O)CSCC1(CO1)C 62a_100000760498_100009817552 [1,0,0,1,0,0|2,0,0]=4 10222 B10R1.350 C[C@@H](O)CSCC1(CO1)C 62a_100009817552_100000760498 [1,0,0,1,0,0|2,0,0]=4 10223 B10R1.485 CCC1(CCCN(C1)C)C 2230a_100000756310_200000210301 [1,0,0,1,0,0|1,0,0]=3 10224 B10R1.485 CCC1(CCCN(C1)C)C 269982a_100000756310_200000210301 [1,0,0,1,0,0|1,0,0]=3 10225 B10R1.485 CCC1(CCCN(C1)[13CH3])C 2230a_100000756310_200025704644 [1,0,0,1,0,0|1,0,0]=3 10226 B10R1.485 CCC1(CCCN(C1)[13CH3])C 269982a_100000756310_200025704644 [1,0,0,1,0,0|1,0,0]=3 10227 B10R1.10 CC1CCCC(C1)NCF 34a_100011194320_100015361967 [1,0,0,1,0,0|2,0,0]=4 10228 B10R1.10 CC1CCCC(C1)OCF 34a_100000211399_100015361967 [1,0,0,1,0,0|2,0,0]=4 10229 B10R1.10 CC1CN(CCO1)CCO 2230a_100000729577_100000211926 [1,0,0,1,0,0|2,0,0]=4 10230 B10R1.10 CC1CN(CCO1)CCO 269982a_100000729577_100000211926 [1,0,0,1,0,0|2,0,0]=4 10231 B10R1.10 CC1CN(CCO1)CCO 34a_100000729577_100000211926 [1,0,0,1,0,0|2,0,0]=4 10232 B10R1.10 CCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210303 [1,0,0,1,0,0|2,0,0]=4 10233 B10R1.10 CCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210303 [1,0,0,1,0,0|2,0,0]=4 10234 B10R1.10 CCCN1CCC[C@@H](C1)C 34a_100000717927_100000210303 [1,0,0,1,0,0|2,0,0]=4 10235 B10R1.10 CCNC1CCCC(C1)C 2230a_100011194320_100000210202 [1,0,0,1,0,0|2,0,0]=4 10236 B10R1.10 CCNC1CCCC(C1)C 270004a_100015525214_100000183594 [1,0,0,1,0,0|2,0,0]=4 10237 B10R1.10 CCNC1CCCC(C1)C 34a_100011194320_100000210202 [1,0,0,1,0,0|2,0,0]=4 10238 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [1,0,0,1,0,0|2,0,0]=4 10239 B10R1.10 CN1CCCC(C1)CCO 2230a_100000752241_200000210301 [1,0,0,1,0,0|1,0,0]=3 10240 B10R1.10 CN1CCCC(C1)CCO 269982a_100000752241_200000210301 [1,0,0,1,0,0|1,0,0]=3 10241 B10R1.10 CN1CCCC(C1)CCO 34a_100000752241_200000210301 [1,0,0,1,0,0|1,0,0]=3 10242 B10R1.10 C[C@H]1CCCN(C1)CCF 2230a_100000717927_100011217306 [1,0,0,1,0,0|2,0,0]=4 10243 B10R1.10 C[C@H]1CCCN(C1)CCF 269982a_100000717927_100011217306 [1,0,0,1,0,0|2,0,0]=4 10244 B10R1.10 C[C@H]1CCCN(C1)CCF 34a_100000717927_100011217306 [1,0,0,1,0,0|2,0,0]=4 10245 B10R1.10 C[C@H]1CCCN(C1)CCO 2230a_100000717927_100000211926 [1,0,0,1,0,0|1,0,0]=3 10246 B10R1.10 C[C@H]1CCCN(C1)CCO 269982a_100000717927_100000211926 [1,0,0,1,0,0|1,0,0]=3 10247 B10R1.10 C[C@H]1CCCN(C1)CCO 34a_100000717927_100000211926 [1,0,0,1,0,0|1,0,0]=3 10248 B10R1.10 OCCN1CCCC(C1)F 2230a_100000697950_100000211926 [1,0,0,1,0,0|2,0,0]=4 10249 B10R1.10 OCCN1CCCC(C1)F 269982a_100000697950_100000211926 [1,0,0,1,0,0|2,0,0]=4 10250 B10R1.10 OCCN1CCCC(C1)F 34a_100000697950_100000211926 [1,0,0,1,0,0|2,0,0]=4 10251 B10R1.10 OCCN1CCCC(C1)O 2230a_100000211013_100000211926 [1,0,0,1,0,0|2,0,0]=4 10252 B10R1.10 OCCN1CCCC(C1)O 269982a_100000211013_100000211926 [1,0,0,1,0,0|2,0,0]=4 10253 B10R1.10 [13CH3]N1CCCC(C1)CCO 2230a_100000752241_200025704644 [1,0,0,1,0,0|1,0,0]=3 10254 B10R1.10 [13CH3]N1CCCC(C1)CCO 269982a_100000752241_200025704644 [1,0,0,1,0,0|1,0,0]=3 10255 B10R1.10 [13CH3]N1CCCC(C1)CCO 34a_100000752241_200025704644 [1,0,0,1,0,0|1,0,0]=3 10256 B10R1.16 CC1CCC(C1)NCCO 270004a_100000210304_100011215218 [1,0,0,1,0,0|1,0,0]=3 10257 B10R1.16 CC1CCC(C1)OCCF 34a_100000698185_100011217306 [1,0,0,1,0,0|2,0,0]=4 10258 B10R1.16 CC1CCC(C1)OCCO 34a_100000698185_100000211926 [1,0,0,1,0,0|1,0,0]=3 10259 B10R1.16 CCCCN1CC[C@H](C1)C 2230a_100016987628_100000210211 [1,0,0,1,0,0|2,0,0]=4 10260 B10R1.16 CCCCN1CC[C@H](C1)C 269982a_100016987628_100000210211 [1,0,0,1,0,0|2,0,0]=4 10261 B10R1.16 CCCCN1CC[C@H](C1)C 34a_100016987628_100000210210 [1,0,0,1,0,0|2,0,0]=4 10262 B10R1.16 CCCNC1CCC(C1)C 270004a_100020643023_100011215218 [1,0,0,1,0,0|2,0,0]=4 10263 B10R1.16 CCCOC1CCC(C1)C 34a_100000698185_100000210303 [1,0,0,1,0,0|2,0,0]=4 10264 B10R1.16 CN1CCC(C1)SCCO 62a_100000211926_200012183744 [1,0,0,1,0,0|2,0,0]=4 10265 B10R1.16 C[C@@H]1CCN(C1)CCCF 2230a_100016987628_100011934791 [1,0,0,1,0,0|2,0,0]=4 10266 B10R1.16 C[C@@H]1CCN(C1)CCCF 269982a_100016987628_100011934791 [1,0,0,1,0,0|2,0,0]=4 10267 B10R1.16 C[C@@H]1CCN(C1)CCCF 34a_100016987628_100011934791 [1,0,0,1,0,0|2,0,0]=4 10268 B10R1.16 C[C@@H]1CCN(C1)CCCO 2230a_100016987628_100000230001 [1,0,0,1,0,0|1,0,0]=3 10269 B10R1.16 C[C@@H]1CCN(C1)CCCO 269982a_100016987628_100011215043 [1,0,0,1,0,0|1,0,0]=3 10270 B10R1.16 C[C@@H]1CCN(C1)CCCO 34a_100016987628_100000230001 [1,0,0,1,0,0|1,0,0]=3 10271 B10R1.16 OCCCN1CCC(C1)O 2230a_100011215560_100000230001 [1,0,0,1,0,0|2,0,0]=4 10272 B10R1.16 OCCCN1CCC(C1)O 269982a_100011215560_100011215043 [1,0,0,1,0,0|2,0,0]=4 10273 B10R1.16 OCCCN1CC[C@@H](C1)F 2230a_100015203821_100000230001 [1,0,0,1,0,0|2,0,0]=4 10274 B10R1.16 OCCCN1CC[C@@H](C1)F 269982a_100015203821_100011215043 [1,0,0,1,0,0|2,0,0]=4 10275 B10R1.16 OCCCN1CC[C@@H](C1)F 34a_100015203821_100000230001 [1,0,0,1,0,0|2,0,0]=4 10276 B10R1.16 OCCNC1CCC(C1)O 270004a_100000210304_100012614533 [1,0,0,1,0,0|2,0,0]=4 10277 B10R1.16 OCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000211926 [1,0,0,1,0,0|2,0,0]=4 10278 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [1,0,0,1,0,0|1,0,1]=4 10279 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [1,0,0,1,0,0|1,0,1]=4 10280 B10R1.18 CC(C)NC1CCCCC1 2230a_100000182618_100000210206 [1,0,0,1,0,0|2,0,0]=4 10281 B10R1.18 CC(C)NC1CCCCC1 34a_100000182618_100000210206 [1,0,0,1,0,0|2,0,0]=4 10282 B10R1.18 CC(C)NC1CCCCC1 34a_100138425928_100000210327 [1,0,0,1,0,0|2,0,0]=4 10283 B10R1.18 CC(C)OC1CCCCC1 34a_100000210231_100000210206 [1,0,0,1,0,0|2,0,0]=4 10284 B10R1.18 CC(C)OC1CCCCC1 34a_100000212225_100000210327 [1,0,0,1,0,0|2,0,0]=4 10285 B10R1.18 CC(C)OC1CCCCC1 7a_100000210231_100000210206 [1,0,0,1,0,0|2,0,0]=4 10286 B10R1.18 CC(C)OC1CCCCO1 34a_100000033831_100000210206 [1,0,0,1,0,0|1,0,0]=3 10287 B10R1.18 CC(C)SC1CCCCC1 62a_100000210206_100000210327 [1,0,0,1,0,0|2,0,0]=4 10288 B10R1.18 CC(C)SC1CCCCC1 62a_100000210327_100000210206 [1,0,0,1,0,0|2,0,0]=4 10289 B10R1.18 CN(C)CC1CCCCC1 2230a_100000736448_200000210301 [1,0,0,1,0,0|2,0,0]=4 10290 B10R1.18 CN(C)CC1CCCCC1 2230a_100102631434_100000211423 [1,0,0,1,0,0|2,0,0]=4 10291 B10R1.18 CN(C)CC1CCCCC1 269982a_100000736448_200000210301 [1,0,0,1,0,0|2,0,0]=4 10292 B10R1.18 CN(C)CC1CCCCC1 269982a_100102631434_100000211423 [1,0,0,1,0,0|2,0,0]=4 10293 B10R1.18 CN(C)CC1CCCCC1 34a_100000736448_200000210301 [1,0,0,1,0,0|2,0,0]=4 10294 B10R1.18 CN(C)CC1CCCCO1 2230a_100000225654_200000210301 [1,0,0,1,0,0|1,0,0]=3 10295 B10R1.18 CN(C)CC1CCCCO1 2230a_100102631434_100000211543 [1,0,0,1,0,0|1,0,0]=3 10296 B10R1.18 CN(C)CC1CCCCO1 269982a_100000225654_200000210301 [1,0,0,1,0,0|1,0,0]=3 10297 B10R1.18 CN(C)CC1CCCCO1 269982a_100102631434_100000211543 [1,0,0,1,0,0|1,0,0]=3 10298 B10R1.18 CN(C)CC1CCCCO1 34a_100000225654_200000210301 [1,0,0,1,0,0|1,0,0]=3 10299 B10R1.18 CN(C)CC1COCCO1 2230a_100011398995_200000210301 [1,0,0,1,0,0|2,0,0]=4 10300 B10R1.18 CN(C)CC1COCCO1 269982a_100011398995_200000210301 [1,0,0,1,0,0|2,0,0]=4 10301 B10R1.18 CN(C)CC1COCCO1 34a_100011398995_200000210301 [1,0,0,1,0,0|2,0,0]=4 10302 B10R1.18 CN([13CH3])CC1CCCCC1 2230a_100000736448_200025704644 [1,0,0,1,0,0|2,0,0]=4 10303 B10R1.18 CN([13CH3])CC1CCCCC1 269982a_100000736448_200025704644 [1,0,0,1,0,0|2,0,0]=4 10304 B10R1.18 CN([13CH3])CC1CCCCC1 34a_100000736448_200025704644 [1,0,0,1,0,0|2,0,0]=4 10305 B10R1.18 CN([13CH3])CC1CCCCO1 2230a_100000225654_200025704644 [1,0,0,1,0,0|1,0,0]=3 10306 B10R1.18 CN([13CH3])CC1CCCCO1 269982a_100000225654_200025704644 [1,0,0,1,0,0|1,0,0]=3 10307 B10R1.18 CN([13CH3])CC1CCCCO1 34a_100000225654_200025704644 [1,0,0,1,0,0|1,0,0]=3 10308 B10R1.18 CN([13CH3])CC1COCCO1 2230a_100011398995_200025704644 [1,0,0,1,0,0|2,0,0]=4 10309 B10R1.18 CN([13CH3])CC1COCCO1 269982a_100011398995_200025704644 [1,0,0,1,0,0|2,0,0]=4 10310 B10R1.18 CN([13CH3])CC1COCCO1 34a_100011398995_200025704644 [1,0,0,1,0,0|2,0,0]=4 10311 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [1,0,0,1,0,0|1,0,1]=4 10312 B10R1.24 CC1CN(C1)CCCCF 2230a_100000702820_100000729493 [1,0,0,1,0,0|2,0,0]=4 10313 B10R1.24 CC1CN(C1)CCCCF 269982a_100000702820_100000729493 [1,0,0,1,0,0|2,0,0]=4 10314 B10R1.24 CC1CN(C1)CCCCF 34a_100000702820_100000729493 [1,0,0,1,0,0|2,0,0]=4 10315 B10R1.24 CC1CN(C1)CCCCO 2230a_100000702820_100000210776 [1,0,0,1,0,0|1,0,0]=3 10316 B10R1.24 CC1CN(C1)CCCCO 269982a_100000702820_100000210776 [1,0,0,1,0,0|1,0,0]=3 10317 B10R1.24 CC1CN(C1)CCCCO 34a_100000702820_100011216708 [1,0,0,1,0,0|1,0,0]=3 10318 B10R1.24 CCCCCN1CC(C1)C 2230a_100000702820_100000210326 [1,0,0,1,0,0|2,0,0]=4 10319 B10R1.24 CCCCCN1CC(C1)C 269982a_100000702820_100000210215 [1,0,0,1,0,0|2,0,0]=4 10320 B10R1.24 CCCCCN1CC(C1)C 34a_100000702820_100000718602 [1,0,0,1,0,0|2,0,0]=4 10321 B10R1.24 OCCCCN1CC(C1)F 2230a_100000690557_100000210776 [1,0,0,1,0,0|2,0,0]=4 10322 B10R1.24 OCCCCN1CC(C1)F 269982a_100000690557_100000210776 [1,0,0,1,0,0|2,0,0]=4 10323 B10R1.24 OCCCCN1CC(C1)F 34a_100000690557_100011216708 [1,0,0,1,0,0|2,0,0]=4 10324 B10R1.24 OCCCCN1CC(C1)O 269982a_100000749847_100000210776 [1,0,0,1,0,0|2,0,0]=4 10325 B10R1.24 OCCCNC1CC(C1)F 2230a_100016993743_100000230001 [1,0,0,1,0,0|2,0,0]=4 10326 B10R1.24 OCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000230001 [1,0,0,1,0,0|2,0,0]=4 10327 B10R1.24 OCCNCC1CC(C1)O 2230a_100016992100_100000211926 [1,0,0,1,0,0|2,0,0]=4 10328 B10R1.24 OCCOCC1CC(C1)Cl 34a_100009874164_100000211926 [1,0,0,1,0,0|2,0,0]=4 10329 B10R1.38 CNC1CCCCC1(C)C 269862a_106832991636_100000031690 [1,0,0,1,0,0|2,0,0]=4 10330 B10R1.39 CC(C)C1CCCN1CF 269982a_100000762757_100015361967 [1,0,0,1,0,0|2,0,0]=4 10331 B10R1.39 CC(C)C1CCCN1CF 34a_100000762757_100015361967 [1,0,0,1,0,0|2,0,0]=4 10332 B10R1.39 CC(C)N1CCC[C@@H]1CO 2230a_100000745186_100000210206 [1,0,0,1,0,0|1,0,0]=3 10333 B10R1.39 CC(C)N1CCC[C@@H]1CO 269982a_100000745186_100000210206 [1,0,0,1,0,0|1,0,0]=3 10334 B10R1.39 CC(C)N1CCC[C@@H]1CO 34a_100000745186_100000210206 [1,0,0,1,0,0|1,0,0]=3 10335 B10R1.39 CCC1CCCC1N(C)C 270004a_100102631434_100000749056 [1,0,0,1,0,0|2,0,0]=4 10336 B10R1.39 CCC1CCCN1C(C)C 2230a_100000754278_100000210206 [1,0,0,1,0,0|2,0,0]=4 10337 B10R1.39 CCC1CCCN1C(C)C 269982a_100000754278_100000210206 [1,0,0,1,0,0|2,0,0]=4 10338 B10R1.39 CCC1CCCN1C(C)C 34a_100000754278_100000210206 [1,0,0,1,0,0|2,0,0]=4 10339 B10R1.39 CCN1CCCC1C(C)C 2230a_100000762757_100000210202 [1,0,0,1,0,0|2,0,0]=4 10340 B10R1.39 CCN1CCCC1C(C)C 269982a_100000762757_100000204670 [1,0,0,1,0,0|2,0,0]=4 10341 B10R1.39 CCN1CCCC1C(C)C 34a_100000762757_100000210202 [1,0,0,1,0,0|2,0,0]=4 10342 B10R1.56 CC1CC1COCCCF 34a_100000744939_100011934791 [1,0,0,1,0,0|2,0,0]=4 10343 B10R1.56 CC1CC1COCCCF 7a_100000744939_100011934791 [1,0,0,1,0,0|2,0,0]=4 10344 B10R1.56 CC1CC1COCCCO 34a_100000744939_100000230001 [1,0,0,1,0,0|1,0,0]=3 10345 B10R1.56 CC1CC1COCCCO 7a_100000744939_100011215043 [1,0,0,1,0,0|1,0,0]=3 10346 B10R1.56 CCCCOCC1CC1C 34a_100000744939_100000210210 [1,0,0,1,0,0|2,0,0]=4 10347 B10R1.56 CCCCOCC1CC1C 7a_100000744939_100000210211 [1,0,0,1,0,0|2,0,0]=4 10348 B10R1.56 OCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210776 [1,0,0,1,0,0|2,0,0]=4 10349 B10R1.56 OCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210776 [1,0,0,1,0,0|2,0,0]=4 10350 B10R1.56 OCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011216708 [1,0,0,1,0,0|2,0,0]=4 10351 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [1,0,0,1,0,0|1,0,1]=4 10352 B10R1.61 CC(C)C1CCCCN1C 2230a_100000757267_200000210301 [1,0,0,1,0,0|2,0,0]=4 10353 B10R1.61 CC(C)C1CCCCN1C 269982a_100000757267_200000210301 [1,0,0,1,0,0|2,0,0]=4 10354 B10R1.61 CC(C)C1CCCCN1C 34a_100000757267_200000210301 [1,0,0,1,0,0|2,0,0]=4 10355 B10R1.61 CC(C)C1CCCCN1[13CH3] 2230a_100000757267_200025704644 [1,0,0,1,0,0|2,0,0]=4 10356 B10R1.61 CC(C)C1CCCCN1[13CH3] 269982a_100000757267_200025704644 [1,0,0,1,0,0|2,0,0]=4 10357 B10R1.61 CC(C)C1CCCCN1[13CH3] 34a_100000757267_200025704644 [1,0,0,1,0,0|2,0,0]=4 10358 B10R1.61 CC(C)N1CCCCC1C 2230a_100000211376_100000210206 [1,0,0,1,0,0|2,0,0]=4 10359 B10R1.61 CC(C)N1CCCCC1C 269982a_100000211376_100000210206 [1,0,0,1,0,0|2,0,0]=4 10360 B10R1.61 CC(C)N1CCCCC1C 34a_100000211376_100000210206 [1,0,0,1,0,0|2,0,0]=4 10361 B10R1.61 CC1CCCCC1N(C)C 270004a_100102631434_100000210921 [1,0,0,1,0,0|2,0,0]=4 10362 B10R1.61 CN(C)C1CCCCC1F 269982a_100102631434_100015423560 [1,0,0,1,0,0|2,0,0]=4 10363 B10R1.61 CN(C)C1CCCCC1O 269982a_100102631434_100000038908 [1,0,0,1,0,0|1,0,0]=3 10364 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_200000210301 [1,0,0,1,0,0|1,0,0]=3 10365 B10R1.61 CN([13CH3])[C@@H]1CCCC[C@H]1O 269982a_100000708425_200025704644 [1,0,0,1,0,0|1,0,0]=3 10366 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [1,0,0,1,0,0|1,0,1]=4 10367 B10R1.64 CC(C)CC1CCCN1C 2230a_100000748429_200000210301 [1,0,0,1,0,0|2,0,0]=4 10368 B10R1.64 CC(C)CC1CCCN1C 269982a_100000748429_200000210301 [1,0,0,1,0,0|2,0,0]=4 10369 B10R1.64 CC(C)CC1CCCN1C 34a_100000748429_200000210301 [1,0,0,1,0,0|2,0,0]=4 10370 B10R1.64 CC(C)CC1CCCN1[13CH3] 2230a_100000748429_200025704644 [1,0,0,1,0,0|2,0,0]=4 10371 B10R1.64 CC(C)CC1CCCN1[13CH3] 269982a_100000748429_200025704644 [1,0,0,1,0,0|2,0,0]=4 10372 B10R1.64 CC(C)CC1CCCN1[13CH3] 34a_100000748429_200025704644 [1,0,0,1,0,0|2,0,0]=4 10373 B10R1.64 CC(C)CN1CCC[C@@H]1C 2230a_100020605311_100000210760 [1,0,0,1,0,0|2,0,0]=4 10374 B10R1.64 CC(C)CN1CCC[C@@H]1C 269982a_100020605311_100000210624 [1,0,0,1,0,0|2,0,0]=4 10375 B10R1.64 CC(C)CN1CCC[C@@H]1C 270004a_100020605311_100000210432 [1,0,0,1,0,0|2,0,0]=4 10376 B10R1.64 CC(C)CN1CCC[C@H]1C 2230a_100015189458_100000210760 [1,0,0,1,0,0|2,0,0]=4 10377 B10R1.64 CC(C)CN1CCC[C@H]1C 269982a_100015189458_100000210624 [1,0,0,1,0,0|2,0,0]=4 10378 B10R1.64 CC(C)CN1CCC[C@H]1C 270004a_100015189458_100000210432 [1,0,0,1,0,0|2,0,0]=4 10379 B10R1.64 CC(C)CN1CCC[C@H]1C 34a_100015189458_100000210624 [1,0,0,1,0,0|2,0,0]=4 10380 B10R1.64 CC(C)NC1COCC1O 34a_100138425928_200000725654 [1,0,0,1,0,0|2,0,0]=4 10381 B10R1.64 CC(C)N[C@H]1COC[C@@H]1O 2230a_100015191717_100000210206 [1,0,0,1,0,0|2,0,0]=4 10382 B10R1.64 CC(C)OC1CCCC1C 34a_100011216460_100000210206 [1,0,0,1,0,0|2,0,0]=4 10383 B10R1.64 CC(C)OC1CCCC1C 7a_100011216460_100000210206 [1,0,0,1,0,0|2,0,0]=4 10384 B10R1.64 CC(C)OC1COCC1O 34a_100000212225_200000725654 [1,0,0,1,0,0|2,0,0]=4 10385 B10R1.64 CC(C)O[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210206 [1,0,0,1,0,0|2,0,0]=4 10386 B10R1.64 CC(C)O[C@H]1CCC[C@@H]1N 34a_100000748460_100000210206 [1,0,0,1,0,0|2,0,0]=4 10387 B10R1.64 CC(C)SC1COCC1O 62a_100000210206_200000725654 [1,0,0,1,0,0|2,0,0]=4 10388 B10R1.64 CC(C)SC1COCC1O 62a_200000725654_100000210206 [1,0,0,1,0,0|2,0,0]=4 10389 B10R1.64 CC(C)S[C@@H]1CCC[C@H]1O 62a_100000210206_200016002552 [1,0,0,1,0,0|1,0,0]=3 10390 B10R1.64 CC(C)S[C@@H]1CCC[C@H]1O 62a_200016002552_100000210206 [1,0,0,1,0,0|1,0,0]=3 10391 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [1,0,0,1,0,0|1,0,1]=4 10392 B10R1.66 CC(C)CCN1CCCC1 2230a_100000188435_100000210312 [1,0,0,1,0,0|2,0,0]=4 10393 B10R1.66 CC(C)CCN1CCCC1 269982a_100000188435_100000210312 [1,0,0,1,0,0|2,0,0]=4 10394 B10R1.66 CC(C)CNC1CCCC1 2230a_100000210953_100000179811 [1,0,0,1,0,0|2,0,0]=4 10395 B10R1.66 CC(C)CNC1CCCC1 2230a_100000211070_100000210760 [1,0,0,1,0,0|2,0,0]=4 10396 B10R1.66 CC(C)CNC1CCCC1 270004a_100000210953_100000210133 [1,0,0,1,0,0|2,0,0]=4 10397 B10R1.66 CC(C)CNC1CCCC1 270004a_100000211070_100000210432 [1,0,0,1,0,0|2,0,0]=4 10398 B10R1.66 CC(C)CNC1CCCC1 34a_100000210953_100000179811 [1,0,0,1,0,0|2,0,0]=4 10399 B10R1.66 CC(C)CNC1CCCC1 34a_100000211070_100000210624 [1,0,0,1,0,0|2,0,0]=4 10400 B10R1.66 CC(C)COC1CCCC1 34a_100000210257_100000179811 [1,0,0,1,0,0|2,0,0]=4 10401 B10R1.66 CC(C)COC1CCCC1 34a_100000210269_100000210624 [1,0,0,1,0,0|2,0,0]=4 10402 B10R1.66 CC(C)COC1CCCC1 7a_100000210269_100000210760 [1,0,0,1,0,0|2,0,0]=4 10403 B10R1.66 CC(C)COC1CCCO1 34a_100000085407_100000210624 [1,0,0,1,0,0|1,0,0]=3 10404 B10R1.66 CC(C)CSC1CCCC1 62a_100000210624_100000179811 [1,0,0,1,0,0|2,0,0]=4 10405 B10R1.66 CC(C)CSC1CCCC1 62a_100011217020_100000210760 [1,0,0,1,0,0|2,0,0]=4 10406 B10R1.66 CC(C)NCC1CCCC1 2230a_100000737975_100000210206 [1,0,0,1,0,0|2,0,0]=4 10407 B10R1.66 CC(C)NCC1CCCC1 2230a_100138425928_100000740388 [1,0,0,1,0,0|2,0,0]=4 10408 B10R1.66 CC(C)NCC1CCCC1 34a_100000737975_100000210206 [1,0,0,1,0,0|2,0,0]=4 10409 B10R1.66 CC(C)NCC1CCCC1 34a_100138425928_100000740388 [1,0,0,1,0,0|2,0,0]=4 10410 B10R1.66 CC(C)NCC1CCCO1 2230a_100138425928_100000203698 [1,0,0,1,0,0|1,0,0]=3 10411 B10R1.66 CC(C)NCC1OCCO1 2230a_100000036311_100000210206 [1,0,0,1,0,0|2,0,0]=4 10412 B10R1.66 CC(C)NCC1OCCO1 2230a_100138425928_100000755774 [1,0,0,1,0,0|2,0,0]=4 10413 B10R1.66 CC(C)NCC1OCCO1 34a_100000036311_100000210206 [1,0,0,1,0,0|2,0,0]=4 10414 B10R1.66 CC(C)NCC1OCCO1 34a_100138425928_100000755774 [1,0,0,1,0,0|2,0,0]=4 10415 B10R1.66 CC(C)NC[C@@H]1CCCO1 2230a_100020590478_100000210206 [1,0,0,1,0,0|1,0,0]=3 10416 B10R1.66 CC(C)NC[C@@H]1CCCO1 34a_100020590478_100000210206 [1,0,0,1,0,0|1,0,0]=3 10417 B10R1.66 CC(C)OCC1CCCC1 34a_100000212225_100000740388 [1,0,0,1,0,0|2,0,0]=4 10418 B10R1.66 CC(C)OCC1CCCC1 34a_100000742336_100000210206 [1,0,0,1,0,0|2,0,0]=4 10419 B10R1.66 CC(C)OCC1CCCC1 7a_100000742336_100000210206 [1,0,0,1,0,0|2,0,0]=4 10420 B10R1.66 CC(C)OCC1CCCO1 34a_100000210270_100000210206 [1,0,0,1,0,0|1,0,0]=3 10421 B10R1.66 CC(C)OCC1CCCO1 7a_100000210270_100000210206 [1,0,0,1,0,0|1,0,0]=3 10422 B10R1.66 CC(C)OCC1COCO1 34a_100011216627_100000210206 [1,0,0,1,0,0|2,0,0]=4 10423 B10R1.66 CC(C)OCC1OCCO1 34a_100000087154_100000210206 [1,0,0,1,0,0|2,0,0]=4 10424 B10R1.66 CC(C)OCC1OCCO1 34a_100000212225_100000755774 [1,0,0,1,0,0|2,0,0]=4 10425 B10R1.66 CC(C)OC[C@H]1CCCN1 34a_100000745186_100000210206 [1,0,0,1,0,0|2,0,0]=4 10426 B10R1.66 CC(C)SCC1CCCC1 62a_100000210206_100000740388 [1,0,0,1,0,0|2,0,0]=4 10427 B10R1.66 CC(C)SCC1CCCC1 62a_100000740388_100000210206 [1,0,0,1,0,0|2,0,0]=4 10428 B10R1.66 CC(C)SCC1CCCO1 62a_100000203698_100000210206 [1,0,0,1,0,0|1,0,0]=3 10429 B10R1.66 CC(C)SCC1CCCO1 62a_100000210206_100000203698 [1,0,0,1,0,0|1,0,0]=3 10430 B10R1.66 CC(C)SCC1OCCO1 62a_100000210206_100000755774 [1,0,0,1,0,0|2,0,0]=4 10431 B10R1.66 CC(C)SCC1OCCO1 62a_100000755774_100000210206 [1,0,0,1,0,0|2,0,0]=4 10432 B10R1.66 CC(O)COC1CCCO1 34a_100000085407_100011218427 [1,0,0,1,0,0|2,0,0]=4 10433 B10R1.66 CN(C)CCC1CCCC1 2230a_100102631434_100000760354 [1,0,0,1,0,0|2,0,0]=4 10434 B10R1.66 CN(C)CCC1CCCC1 269982a_100102631434_100000760354 [1,0,0,1,0,0|2,0,0]=4 10435 B10R1.66 CN(C)CCC1OCCO1 2230a_100102631434_100000740749 [1,0,0,1,0,0|2,0,0]=4 10436 B10R1.66 CN(C)CCC1OCCO1 269982a_100102631434_100000740749 [1,0,0,1,0,0|2,0,0]=4 10437 B10R1.66 C[C@@H](O)COC1CCCO1 34a_100000085407_100009817552 [1,0,0,1,0,0|2,0,0]=4 10438 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [1,0,0,1,0,0|1,0,1]=4 10439 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 10440 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 10441 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 10442 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 10443 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 10444 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 10445 B10R1.126 CC(Br)CCOCC1CO1 34a_100009893172_102125554688 [1,0,0,1,0,0|2,0,0]=4 10446 B10R1.126 CC(Br)COCCC1CO1 34a_100012180447_100000732470 [1,0,0,1,0,0|2,0,0]=4 10447 B10R1.126 CC(C)CCCNC1CC1 34a_100000212008_100011214892 [1,0,0,1,0,0|2,0,0]=4 10448 B10R1.126 CC(C)CCCNC1CC1 34a_200000737386_100000211595 [1,0,0,1,0,0|2,0,0]=4 10449 B10R1.126 CC(C)CCCOC1CC1 34a_100000210774_100000211595 [1,0,0,1,0,0|2,0,0]=4 10450 B10R1.126 CC(C)CCCSC1CC1 62a_100011214892_100000211595 [1,0,0,1,0,0|2,0,0]=4 10451 B10R1.126 CC(C)CCNCC1CC1 2230a_100000735609_100000210312 [1,0,0,1,0,0|2,0,0]=4 10452 B10R1.126 CC(C)CCNCC1CC1 269862a_100000210545_100000741477 [1,0,0,1,0,0|2,0,0]=4 10453 B10R1.126 CC(C)CCNCC1CC1 34a_100000735609_100000210312 [1,0,0,1,0,0|2,0,0]=4 10454 B10R1.126 CC(C)CCOCC1CC1 34a_100000210254_100000742324 [1,0,0,1,0,0|2,0,0]=4 10455 B10R1.126 CC(C)CCOCC1CC1 34a_100000211283_100000210312 [1,0,0,1,0,0|2,0,0]=4 10456 B10R1.126 CC(C)CCOCC1CC1 7a_100000210254_100000742324 [1,0,0,1,0,0|2,0,0]=4 10457 B10R1.126 CC(C)CCOCC1CO1 34a_100000210254_102125554688 [1,0,0,1,0,0|1,0,0]=3 10458 B10R1.126 CC(C)CCOCC1CO1 7a_100000210254_102125554688 [1,0,0,1,0,0|1,0,0]=3 10459 B10R1.126 CC(C)CCOCC1CS1 7a_100000210254_100000031435 [1,0,0,1,0,0|1,1,0]=4 10460 B10R1.126 CC(C)CCOC[C@@H]1CO1 34a_100000757423_100000210312 [1,0,0,1,0,0|1,0,0]=3 10461 B10R1.126 CC(C)CCOC[C@@H]1CO1 7a_100000210254_100000745022 [1,0,0,1,0,0|1,0,0]=3 10462 B10R1.126 CC(C)CCSCC1CC1 62a_100000210312_100000742324 [1,0,0,1,0,0|2,0,0]=4 10463 B10R1.126 CC(C)CCSCC1CC1 62a_100000756562_100000210312 [1,0,0,1,0,0|2,0,0]=4 10464 B10R1.126 CC(C)CCSCC1CO1 62a_100000210312_102125554688 [1,0,0,1,0,0|1,0,0]=3 10465 B10R1.126 CC(C)CCSCC1CO1 62a_102125554688_100000210312 [1,0,0,1,0,0|1,0,0]=3 10466 B10R1.126 CC(C)CCSCC1CS1 62a_100000031435_100000210312 [1,0,0,1,0,0|1,1,0]=4 10467 B10R1.126 CC(C)CCSCC1CS1 62a_100000210312_100000031435 [1,0,0,1,0,0|1,1,0]=4 10468 B10R1.126 CC(C)CCSC[C@@H]1CO1 62a_100000210312_100000745022 [1,0,0,1,0,0|1,0,0]=3 10469 B10R1.126 CC(C)CCSC[C@@H]1CO1 62a_100000745022_100000210312 [1,0,0,1,0,0|1,0,0]=3 10470 B10R1.126 CC(C)CNCCC1CC1 2230a_100000210953_100000694398 [1,0,0,1,0,0|2,0,0]=4 10471 B10R1.126 CC(C)CNCCC1CC1 270004a_100000764129_100000210432 [1,0,0,1,0,0|2,0,0]=4 10472 B10R1.126 CC(C)CNCCC1CC1 34a_100000210953_100000694398 [1,0,0,1,0,0|2,0,0]=4 10473 B10R1.126 CC(C)CNCCC1CC1 34a_100000764129_100000210624 [1,0,0,1,0,0|2,0,0]=4 10474 B10R1.126 CC(C)CNCCC1CO1 2230a_100000210953_100000732470 [1,0,0,1,0,0|1,0,0]=3 10475 B10R1.126 CC(C)CNCCC1CO1 34a_100000210953_100000732470 [1,0,0,1,0,0|1,0,0]=3 10476 B10R1.126 CC(C)COCCC1CC1 34a_100000210257_100000694398 [1,0,0,1,0,0|2,0,0]=4 10477 B10R1.126 CC(C)COCCC1CC1 34a_100000754188_100000210624 [1,0,0,1,0,0|2,0,0]=4 10478 B10R1.126 CC(C)COCCC1CC1 7a_100000754188_100000210760 [1,0,0,1,0,0|2,0,0]=4 10479 B10R1.126 CC(C)COCCC1CO1 34a_100000210257_100000732470 [1,0,0,1,0,0|1,0,0]=3 10480 B10R1.126 CC(C)COCC[C@@H]1CO1 34a_100009820653_100000210624 [1,0,0,1,0,0|1,0,0]=3 10481 B10R1.126 CC(C)CSCCC1CC1 62a_100000210624_100000764125 [1,0,0,1,0,0|2,0,0]=4 10482 B10R1.126 CC(C)CSCCC1CC1 62a_100000764125_100000210760 [1,0,0,1,0,0|2,0,0]=4 10483 B10R1.126 CC(C)CSCCC1CO1 62a_100000210624_100000732470 [1,0,0,1,0,0|1,0,0]=3 10484 B10R1.126 CC(C)CSCCC1CO1 62a_100000732470_100000210760 [1,0,0,1,0,0|1,0,0]=3 10485 B10R1.126 CC(C)NCCCC1CO1 2230a_100138425928_100000733510 [1,0,0,1,0,0|1,0,0]=3 10486 B10R1.126 CC(C)NCCCC1CO1 34a_100138425928_100000733510 [1,0,0,1,0,0|1,0,0]=3 10487 B10R1.126 CC(C)OCCCC1CO1 34a_100000212225_100000733510 [1,0,0,1,0,0|1,0,0]=3 10488 B10R1.126 CC(C)OCOC[C@@H]1CO1 34a_100000757423_100000709892 [1,0,0,1,0,0|2,0,0]=4 10489 B10R1.126 CC(C)OCSCC1CO1 62a_100000709892_102125554688 [1,0,0,1,0,0|2,0,0]=4 10490 B10R1.126 CC(C)OCSCC1CO1 62a_102125554688_100000709892 [1,0,0,1,0,0|2,0,0]=4 10491 B10R1.126 CC(C)OCSC[C@@H]1CO1 62a_100000709892_100000745022 [1,0,0,1,0,0|2,0,0]=4 10492 B10R1.126 CC(C)OCSC[C@@H]1CO1 62a_100000745022_100000709892 [1,0,0,1,0,0|2,0,0]=4 10493 B10R1.126 CC(C)SCCCC1CO1 62a_100000210206_100000733510 [1,0,0,1,0,0|1,0,0]=3 10494 B10R1.126 CC(C)SCCCC1CO1 62a_100000733510_100000210206 [1,0,0,1,0,0|1,0,0]=3 10495 B10R1.126 CC(F)COCCC1CO1 34a_100015925927_100000732470 [1,0,0,1,0,0|2,0,0]=4 10496 B10R1.126 CC(O)CCNCC1CO1 2230a_200000755665_100011216344 [1,0,0,1,0,0|2,0,0]=4 10497 B10R1.126 CC(O)CCOC[C@@H]1CO1 34a_100000757423_100012276601 [1,0,0,1,0,0|2,0,0]=4 10498 B10R1.126 CC(O)CCSCC1CO1 62a_100012276601_102125554688 [1,0,0,1,0,0|2,0,0]=4 10499 B10R1.126 CC(O)CCSCC1CO1 62a_102125554688_100012276601 [1,0,0,1,0,0|2,0,0]=4 10500 B10R1.126 CC(O)CCSC[C@@H]1CO1 62a_100000745022_100012276601 [1,0,0,1,0,0|2,0,0]=4 10501 B10R1.126 CC(O)CCSC[C@@H]1CO1 62a_100012276601_100000745022 [1,0,0,1,0,0|2,0,0]=4 10502 B10R1.126 CC(O)CNCCC1CO1 2230a_100000210904_100000732470 [1,0,0,1,0,0|2,0,0]=4 10503 B10R1.126 CC(O)CNCCC1CO1 34a_100000210904_100000732470 [1,0,0,1,0,0|2,0,0]=4 10504 B10R1.126 CC(O)COCC[C@@H]1CO1 34a_100009820653_100011218427 [1,0,0,1,0,0|2,0,0]=4 10505 B10R1.126 CC(O)CSCCC1CO1 62a_100000732470_100011218427 [1,0,0,1,0,0|2,0,0]=4 10506 B10R1.126 CC(O)CSCCC1CO1 62a_100011218427_100000732470 [1,0,0,1,0,0|2,0,0]=4 10507 B10R1.126 CN(C)CCSCC1CO1 62a_102125554688_100000755713 [1,0,0,1,0,0|2,0,0]=4 10508 B10R1.126 CN(C)CCSC[C@@H]1CO1 62a_100000745022_100000755713 [1,0,0,1,0,0|2,0,0]=4 10509 B10R1.126 C[C@@H](Cl)COCCC1CO1 34a_100016084084_100000732470 [1,0,0,1,0,0|2,0,0]=4 10510 B10R1.126 C[C@@H](N)CCOCC1CO1 34a_100000706166_102125554688 [1,0,0,1,0,0|2,0,0]=4 10511 B10R1.126 C[C@@H](N)COCCC1CO1 34a_100000737577_100000732470 [1,0,0,1,0,0|2,0,0]=4 10512 B10R1.126 C[C@@H](O)COCC[C@@H]1CO1 34a_100009820653_100009817552 [1,0,0,1,0,0|2,0,0]=4 10513 B10R1.126 C[C@@H](O)CSCCC1CO1 62a_100000732470_100009817552 [1,0,0,1,0,0|2,0,0]=4 10514 B10R1.126 C[C@@H](O)CSCCC1CO1 62a_100009817552_100000732470 [1,0,0,1,0,0|2,0,0]=4 10515 B10R1.133 CC1(CCCC1OCF)C 34a_100000726220_100015361967 [1,0,0,1,0,0|2,0,0]=4 10516 B10R1.133 CC1(CCCC1OCF)C 7a_100000726220_100015361967 [1,0,0,1,0,0|2,0,0]=4 10517 B10R1.133 CC1(CCCN1CCF)C 2230a_100000761399_100011217306 [1,0,0,1,0,0|2,0,0]=4 10518 B10R1.133 CC1(CCCN1CCF)C 269982a_100000761399_100011217306 [1,0,0,1,0,0|2,0,0]=4 10519 B10R1.133 CC1(CCCN1CCF)C 34a_100000761399_100011217306 [1,0,0,1,0,0|2,0,0]=4 10520 B10R1.133 CC1(CCCN1CCO)C 2230a_100000761399_100000211926 [1,0,0,1,0,0|1,0,0]=3 10521 B10R1.133 CC1(CCCN1CCO)C 269982a_100000761399_100000211926 [1,0,0,1,0,0|1,0,0]=3 10522 B10R1.133 CC1(CCCN1CCO)C 34a_100000761399_100000211926 [1,0,0,1,0,0|1,0,0]=3 10523 B10R1.133 CC1(COCN1CCO)C 2230a_100000043020_100000211926 [1,0,0,1,0,0|2,0,0]=4 10524 B10R1.133 CC1(COCN1CCO)C 269982a_100000043020_100000211926 [1,0,0,1,0,0|2,0,0]=4 10525 B10R1.133 CC1(SCCN1CCO)C 2230a_100011217261_100000211926 [1,0,0,1,0,0|2,0,0]=4 10526 B10R1.133 CC1(SCCN1CCO)C 269982a_100011217261_100000211926 [1,0,0,1,0,0|2,0,0]=4 10527 B10R1.133 CC1(SCCN1CCO)C 34a_100011217261_100000211926 [1,0,0,1,0,0|2,0,0]=4 10528 B10R1.133 CCCN1CCCC1(C)C 2230a_100000761399_100000210303 [1,0,0,1,0,0|2,0,0]=4 10529 B10R1.133 CCCN1CCCC1(C)C 269982a_100000761399_100000210303 [1,0,0,1,0,0|2,0,0]=4 10530 B10R1.133 CCCN1CCCC1(C)C 34a_100000761399_100000210303 [1,0,0,1,0,0|2,0,0]=4 10531 B10R1.133 CCNC1CCCC1(C)C 269862a_100015525214_100000065263 [1,0,0,1,0,0|2,0,0]=4 10532 B10R1.133 CCOC1CCCC1(C)C 34a_100000726220_100000210202 [1,0,0,1,0,0|2,0,0]=4 10533 B10R1.133 CCOC1CCCC1(C)C 7a_100000726220_100000210202 [1,0,0,1,0,0|2,0,0]=4 10534 B10R1.162 CN1CCOCC(C1)CO 2230a_100103147999_200000210301 [1,0,0,1,0,0|2,0,0]=4 10535 B10R1.162 CN1CCOCC(C1)CO 269982a_100103147999_200000210301 [1,0,0,1,0,0|2,0,0]=4 10536 B10R1.162 CN1CCOCC(C1)CO 34a_100103147999_200000210301 [1,0,0,1,0,0|2,0,0]=4 10537 B10R1.162 [13CH3]N1CCOCC(C1)CO 2230a_100103147999_200025704644 [1,0,0,1,0,0|2,0,0]=4 10538 B10R1.162 [13CH3]N1CCOCC(C1)CO 269982a_100103147999_200025704644 [1,0,0,1,0,0|2,0,0]=4 10539 B10R1.162 [13CH3]N1CCOCC(C1)CO 34a_100103147999_200025704644 [1,0,0,1,0,0|2,0,0]=4 10540 B10R1.177 BrCCCCCOC1CC1 34a_100000746331_100000211595 [1,0,0,1,0,0|2,0,0]=4 10541 B10R1.177 BrCCCCOCC1CC1 34a_100011216708_100000742324 [1,0,0,1,0,0|2,0,0]=4 10542 B10R1.177 BrCCCOCCC1CC1 34a_100011217188_100000694398 [1,0,0,1,0,0|2,0,0]=4 10543 B10R1.177 CCCCCCNC1CC1 34a_100000212008_100000210314 [1,0,0,1,0,0|2,0,0]=4 10544 B10R1.177 CCCCCCOC1CC1 34a_100000210259_100000211595 [1,0,0,1,0,0|2,0,0]=4 10545 B10R1.177 CCCCCCSC1CC1 62a_100000210314_100000211595 [1,0,0,1,0,0|2,0,0]=4 10546 B10R1.177 CCCCCNCC1CC1 2230a_100000209983_100000742324 [1,0,0,1,0,0|2,0,0]=4 10547 B10R1.177 CCCCCNCC1CC1 2230a_100000735609_100000210326 [1,0,0,1,0,0|2,0,0]=4 10548 B10R1.177 CCCCCNCC1CC1 269862a_100000209983_100000741477 [1,0,0,1,0,0|2,0,0]=4 10549 B10R1.177 CCCCCNCC1CC1 34a_100000735609_100000718602 [1,0,0,1,0,0|2,0,0]=4 10550 B10R1.177 CCCCCOCC1CC1 34a_100000210253_100000742324 [1,0,0,1,0,0|2,0,0]=4 10551 B10R1.177 CCCCCOCC1CC1 34a_100000211283_100000718602 [1,0,0,1,0,0|2,0,0]=4 10552 B10R1.177 CCCCCOCC1CC1 7a_100000210253_100000742324 [1,0,0,1,0,0|2,0,0]=4 10553 B10R1.177 CCCCCSCC1CC1 62a_100000210326_100000742324 [1,0,0,1,0,0|2,0,0]=4 10554 B10R1.177 CCCCCSCC1CC1 62a_100000756562_100000210326 [1,0,0,1,0,0|2,0,0]=4 10555 B10R1.177 CCCCNCCC1CC1 2230a_100000102301_100000694398 [1,0,0,1,0,0|2,0,0]=4 10556 B10R1.177 CCCCNCCC1CC1 34a_100000764129_100000210210 [1,0,0,1,0,0|2,0,0]=4 10557 B10R1.177 CCCCNCCC1CC1 7a_106832991798_100000764125 [1,0,0,1,0,0|2,0,0]=4 10558 B10R1.177 CCCCOCCC1CC1 34a_100000210227_100000694398 [1,0,0,1,0,0|2,0,0]=4 10559 B10R1.177 CCCCOCCC1CC1 34a_100000754188_100000210210 [1,0,0,1,0,0|2,0,0]=4 10560 B10R1.177 CCCCOCCC1CC1 7a_100000210227_100000764125 [1,0,0,1,0,0|2,0,0]=4 10561 B10R1.177 CCCCOCCC1CC1 7a_100000754188_100000210211 [1,0,0,1,0,0|2,0,0]=4 10562 B10R1.177 CCCCSCCC1CC1 62a_100000210211_100000764125 [1,0,0,1,0,0|2,0,0]=4 10563 B10R1.177 CCCCSCCC1CC1 62a_100000764125_100000210210 [1,0,0,1,0,0|2,0,0]=4 10564 B10R1.177 ClCCCCCOC1CC1 34a_100000746330_100000211595 [1,0,0,1,0,0|2,0,0]=4 10565 B10R1.177 ClCCCCOCC1CC1 34a_100000210776_100000742324 [1,0,0,1,0,0|2,0,0]=4 10566 B10R1.177 ClCCCCOCC1CC1 7a_100000210776_100000742324 [1,0,0,1,0,0|2,0,0]=4 10567 B10R1.177 ClCCCOCCC1CC1 34a_100000230001_100000694398 [1,0,0,1,0,0|2,0,0]=4 10568 B10R1.177 FCCCCCNC1CC1 34a_100000212008_100000729378 [1,0,0,1,0,0|2,0,0]=4 10569 B10R1.177 FCCCCCSC1CC1 62a_100000729378_100000211595 [1,0,0,1,0,0|2,0,0]=4 10570 B10R1.177 FCCCCNCC1CC1 2230a_100000735609_100000729493 [1,0,0,1,0,0|2,0,0]=4 10571 B10R1.177 FCCCCNCC1CC1 34a_100000735609_100000729493 [1,0,0,1,0,0|2,0,0]=4 10572 B10R1.177 FCCCCOCC1CC1 34a_100000211283_100000729493 [1,0,0,1,0,0|2,0,0]=4 10573 B10R1.177 FCCCCOCC1CC1 34a_100011995726_100000742324 [1,0,0,1,0,0|2,0,0]=4 10574 B10R1.177 FCCCCOCC1CC1 7a_100011995726_100000742324 [1,0,0,1,0,0|2,0,0]=4 10575 B10R1.177 FCCCCSCC1CC1 62a_100000729493_100000742324 [1,0,0,1,0,0|2,0,0]=4 10576 B10R1.177 FCCCCSCC1CC1 62a_100000756562_100000729493 [1,0,0,1,0,0|2,0,0]=4 10577 B10R1.177 FCCCNCCC1CC1 2230a_100015189416_100000694398 [1,0,0,1,0,0|2,0,0]=4 10578 B10R1.177 FCCCNCCC1CC1 34a_100000764129_100011934791 [1,0,0,1,0,0|2,0,0]=4 10579 B10R1.177 FCCCNCCC1CC1 34a_100015189416_100000694398 [1,0,0,1,0,0|2,0,0]=4 10580 B10R1.177 FCCCOCCC1CC1 34a_100000754188_100011934791 [1,0,0,1,0,0|2,0,0]=4 10581 B10R1.177 FCCCOCCC1CC1 34a_100000759539_100000694398 [1,0,0,1,0,0|2,0,0]=4 10582 B10R1.177 FCCCOCCC1CC1 7a_100000754188_100011934791 [1,0,0,1,0,0|2,0,0]=4 10583 B10R1.177 FCCCSCCC1CC1 62a_100000764125_100011934791 [1,0,0,1,0,0|2,0,0]=4 10584 B10R1.177 FCCCSCCC1CC1 62a_100011934791_100000764125 [1,0,0,1,0,0|2,0,0]=4 10585 B10R1.177 ICCCCCOC1CC1 34a_200012148887_100000211595 [1,0,0,1,0,0|2,0,0]=4 10586 B10R1.177 ICCCCOCC1CC1 34a_200012148704_100000742324 [1,0,0,1,0,0|2,0,0]=4 10587 B10R1.177 NCCCCCOC1CC1 34a_100000762737_100000211595 [1,0,0,1,0,0|2,0,0]=4 10588 B10R1.177 NCCCCOCC1CC1 34a_100000750430_100000742324 [1,0,0,1,0,0|2,0,0]=4 10589 B10R1.177 NCCCOCCC1CC1 34a_100000182051_100000694398 [1,0,0,1,0,0|2,0,0]=4 10590 B10R1.177 OCCCCCNC1CC1 34a_100000212008_100000746330 [1,0,0,1,0,0|1,0,0]=3 10591 B10R1.177 OCCCCCNC1CC1 34a_100000762737_100000211595 [1,0,0,1,0,0|1,0,0]=3 10592 B10R1.177 OCCCCCSC1CC1 62a_100000746330_100000211595 [1,0,0,1,0,0|1,0,0]=3 10593 B10R1.177 OCCCCNCC1CC1 2230a_100000735609_100000210776 [1,0,0,1,0,0|1,0,0]=3 10594 B10R1.177 OCCCCNCC1CC1 2230a_100000750430_100000742324 [1,0,0,1,0,0|1,0,0]=3 10595 B10R1.177 OCCCCNCC1CC1 269862a_100000750430_100000741477 [1,0,0,1,0,0|1,0,0]=3 10596 B10R1.177 OCCCCNCC1CC1 34a_100000735609_100011216708 [1,0,0,1,0,0|1,0,0]=3 10597 B10R1.177 OCCCCNCC1CC1 34a_100000750430_100000742324 [1,0,0,1,0,0|1,0,0]=3 10598 B10R1.177 OCCCCNCC1CO1 2230a_100000750430_100011216344 [1,0,0,1,0,0|2,0,0]=4 10599 B10R1.177 OCCCCNCC1CO1 34a_100000750430_102125554688 [1,0,0,1,0,0|2,0,0]=4 10600 B10R1.177 OCCCCOCC1CC1 34a_100000211283_100011216708 [1,0,0,1,0,0|1,0,0]=3 10601 B10R1.177 OCCCCOC[C@@H]1CO1 34a_100000757423_100011216708 [1,0,0,1,0,0|2,0,0]=4 10602 B10R1.177 OCCCCSCC1CC1 62a_100000210776_100000742324 [1,0,0,1,0,0|1,0,0]=3 10603 B10R1.177 OCCCCSCC1CC1 62a_100000756562_100000210776 [1,0,0,1,0,0|1,0,0]=3 10604 B10R1.177 OCCCCSCC1CO1 62a_100000210776_102125554688 [1,0,0,1,0,0|2,0,0]=4 10605 B10R1.177 OCCCCSCC1CO1 62a_102125554688_100000210776 [1,0,0,1,0,0|2,0,0]=4 10606 B10R1.177 OCCCCSCC1CS1 62a_100000031435_100000210776 [1,0,0,1,0,0|2,0,0]=4 10607 B10R1.177 OCCCCSCC1CS1 62a_100000210776_100000031435 [1,0,0,1,0,0|2,0,0]=4 10608 B10R1.177 OCCCCSC[C@@H]1CO1 62a_100000210776_100000745022 [1,0,0,1,0,0|2,0,0]=4 10609 B10R1.177 OCCCCSC[C@@H]1CO1 62a_100000745022_100000210776 [1,0,0,1,0,0|2,0,0]=4 10610 B10R1.177 OCCCNCCC1CC1 34a_100000764129_100000230001 [1,0,0,1,0,0|1,0,0]=3 10611 B10R1.177 OCCCOCCC1CC1 34a_100000754188_100000230001 [1,0,0,1,0,0|1,0,0]=3 10612 B10R1.177 OCCCOCCC1CC1 7a_100000754188_100011215043 [1,0,0,1,0,0|1,0,0]=3 10613 B10R1.177 OCCCOCC[C@@H]1CO1 34a_100009820653_100000230001 [1,0,0,1,0,0|2,0,0]=4 10614 B10R1.177 OCCCSCCC1CC1 62a_100000764125_100011215043 [1,0,0,1,0,0|1,0,0]=3 10615 B10R1.177 OCCCSCCC1CC1 62a_100011215043_100000764125 [1,0,0,1,0,0|1,0,0]=3 10616 B10R1.177 OCCCSCCC1CO1 62a_100000732470_100011215043 [1,0,0,1,0,0|2,0,0]=4 10617 B10R1.177 OCCCSCCC1CO1 62a_100011215043_100000732470 [1,0,0,1,0,0|2,0,0]=4 10618 B10R1.177 OCCNCCCC1CO1 2230a_100016997473_100000733510 [1,0,0,1,0,0|2,0,0]=4 10619 B10R1.177 OCCNCCCC1CO1 34a_100016990907_100000733510 [1,0,0,1,0,0|2,0,0]=4 10620 B10R1.177 OCCOCCNC1CC1 34a_100000211614_100000211595 [1,0,0,1,0,0|2,0,0]=4 10621 B10R1.177 OCCOCCNC1CC1 34a_100000212008_100000692535 [1,0,0,1,0,0|2,0,0]=4 10622 B10R1.177 OCCOCCNC1CC1 34a_100000738766_100000211926 [1,0,0,1,0,0|2,0,0]=4 10623 B10R1.177 OCCOCCSC1CC1 62a_100011215305_100000211595 [1,0,0,1,0,0|2,0,0]=4 10624 B10R1.177 OCCSCCCC1CO1 62a_100000211926_100000733510 [1,0,0,1,0,0|2,0,0]=4 10625 B10R1.177 OCCSCCCC1CO1 62a_100000733510_100000211926 [1,0,0,1,0,0|2,0,0]=4 10626 B10R1.348 CC(C)N1CCCCCC1 2230a_100000185865_100000210206 [1,0,0,1,0,0|2,0,0]=4 10627 B10R1.348 CC(C)N1CCCCCC1 269982a_100000185865_100000210206 [1,0,0,1,0,0|2,0,0]=4 10628 B10R1.348 CC(C)N1CCCCCC1 34a_100000185865_100000210206 [1,0,0,1,0,0|2,0,0]=4 10629 B10R1.348 CN(C)C1CCCCCC1 2230a_100015185097_200000210301 [1,0,0,1,0,0|2,0,0]=4 10630 B10R1.348 CN(C)C1CCCCCC1 269982a_100015185097_200000210301 [1,0,0,1,0,0|2,0,0]=4 10631 B10R1.348 CN(C)C1CCCCCC1 269982a_100102631434_100011217769 [1,0,0,1,0,0|2,0,0]=4 10632 B10R1.348 CN(C)C1CCCCCC1 270004a_100102631434_100000210131 [1,0,0,1,0,0|2,0,0]=4 10633 B10R1.348 CN(C)C1CCCCCC1 34a_100015185097_200000210301 [1,0,0,1,0,0|2,0,0]=4 10634 B10R1.348 CN([13CH3])C1CCCCCC1 2230a_100015185097_200025704644 [1,0,0,1,0,0|2,0,0]=4 10635 B10R1.348 CN([13CH3])C1CCCCCC1 269982a_100015185097_200025704644 [1,0,0,1,0,0|2,0,0]=4 10636 B10R1.348 CN([13CH3])C1CCCCCC1 34a_100015185097_200025704644 [1,0,0,1,0,0|2,0,0]=4 10637 B10R1.375 CC1(CC1COCCF)C 34a_100000728257_100011217306 [1,0,0,1,0,0|2,0,0]=4 10638 B10R1.375 CC1(CC1COCCF)C 7a_100000728257_100011217306 [1,0,0,1,0,0|2,0,0]=4 10639 B10R1.375 CC1(CC1COCCO)C 34a_100000728257_100000211926 [1,0,0,1,0,0|1,0,0]=3 10640 B10R1.375 CC1(CC1COCCO)C 7a_100000728257_100000211926 [1,0,0,1,0,0|1,0,0]=3 10641 B10R1.375 CC1(OC1COCCO)C 34a_200010283642_100000211926 [1,0,0,1,0,0|2,0,0]=4 10642 B10R1.375 CC1(OC1COCCO)C 7a_200010283642_100000211926 [1,0,0,1,0,0|2,0,0]=4 10643 B10R1.375 CCCOCC1CC1(C)C 34a_100000728257_100000210303 [1,0,0,1,0,0|2,0,0]=4 10644 B10R1.375 CCCOCC1CC1(C)C 7a_100000728257_100000210303 [1,0,0,1,0,0|2,0,0]=4 10645 B10R1.11 CC(CCO)N1CCCC1 2230a_100000188435_100009893172 [1,0,0,1,0,0|1,0,0]=3 10646 B10R1.11 CC(CCO)N1CCCC1 269982a_100000188435_100009893172 [1,0,0,1,0,0|1,0,0]=3 10647 B10R1.11 CC(CCO)N1CCSC1 2230a_100011215254_100009893172 [1,0,0,1,0,0|2,0,0]=4 10648 B10R1.11 CC(CCO)N1CCSC1 269982a_100011215254_100009893172 [1,0,0,1,0,0|2,0,0]=4 10649 B10R1.11 CC(NCF)C1CCCC1 34a_100015185923_100015361967 [1,0,0,1,0,0|2,0,0]=4 10650 B10R1.11 CC(OCF)C1CCCC1 34a_100011216366_100015361967 [1,0,0,1,0,0|2,0,0]=4 10651 B10R1.11 CC(OCF)C1CCCC1 7a_100011216366_100015361967 [1,0,0,1,0,0|2,0,0]=4 10652 B10R1.11 CCCC(C)N1CCCC1 2230a_100000188435_100000766640 [1,0,0,1,0,0|2,0,0]=4 10653 B10R1.11 CCCC(C)N1CCCC1 269982a_100000188435_100000766640 [1,0,0,1,0,0|2,0,0]=4 10654 B10R1.11 CCCC(C)N1CCCC1 270004a_100000188435_100000211909 [1,0,0,1,0,0|2,0,0]=4 10655 B10R1.11 CCCN(C)C1CCCC1 2230a_100000201646_200000210301 [1,0,0,1,0,0|2,0,0]=4 10656 B10R1.11 CCCN(C)C1CCCC1 2230a_100000207505_100000210303 [1,0,0,1,0,0|2,0,0]=4 10657 B10R1.11 CCCN(C)C1CCCC1 2230a_100000747261_100000179811 [1,0,0,1,0,0|2,0,0]=4 10658 B10R1.11 CCCN(C)C1CCCC1 269982a_100000201646_200000210301 [1,0,0,1,0,0|2,0,0]=4 10659 B10R1.11 CCCN(C)C1CCCC1 269982a_100000207505_100000210303 [1,0,0,1,0,0|2,0,0]=4 10660 B10R1.11 CCCN(C)C1CCCC1 269982a_100000747261_100000179811 [1,0,0,1,0,0|2,0,0]=4 10661 B10R1.11 CCCN(C)C1CCCC1 270004a_100000747261_100000210133 [1,0,0,1,0,0|2,0,0]=4 10662 B10R1.11 CCCN(C)C1CCCC1 34a_100000201646_200000210301 [1,0,0,1,0,0|2,0,0]=4 10663 B10R1.11 CCCN(C)C1CCCC1 34a_100000207505_100000210303 [1,0,0,1,0,0|2,0,0]=4 10664 B10R1.11 CCCN([13CH3])C1CCCC1 2230a_100000201646_200025704644 [1,0,0,1,0,0|2,0,0]=4 10665 B10R1.11 CCCN([13CH3])C1CCCC1 269982a_100000201646_200025704644 [1,0,0,1,0,0|2,0,0]=4 10666 B10R1.11 CCCN([13CH3])C1CCCC1 34a_100000201646_200025704644 [1,0,0,1,0,0|2,0,0]=4 10667 B10R1.11 CCNC(C)C1CCCC1 2230a_100015185923_100000210202 [1,0,0,1,0,0|2,0,0]=4 10668 B10R1.11 CCNC(C)C1CCCC1 269862a_100015525214_100000749594 [1,0,0,1,0,0|2,0,0]=4 10669 B10R1.11 CCNC(C)C1CCCC1 270004a_100015525214_100000749594 [1,0,0,1,0,0|2,0,0]=4 10670 B10R1.11 CCNC(C)C1CCCC1 34a_100015185923_100000210202 [1,0,0,1,0,0|2,0,0]=4 10671 B10R1.11 CCOC(C)C1CCCC1 34a_100011216366_100000210202 [1,0,0,1,0,0|2,0,0]=4 10672 B10R1.11 CCOC(C)C1CCCC1 7a_100011216366_100000210202 [1,0,0,1,0,0|2,0,0]=4 10673 B10R1.11 CN(CCF)C1CCCC1 2230a_100000207505_100011217306 [1,0,0,1,0,0|2,0,0]=4 10674 B10R1.11 CN(CCF)C1CCCC1 269982a_100000207505_100011217306 [1,0,0,1,0,0|2,0,0]=4 10675 B10R1.11 CN(CCF)C1CCCC1 34a_100000207505_100011217306 [1,0,0,1,0,0|2,0,0]=4 10676 B10R1.11 CN(CCO)C1CCCC1 2230a_100000207505_100000211926 [1,0,0,1,0,0|1,0,0]=3 10677 B10R1.11 CN(CCO)C1CCCC1 2230a_100000210263_100000179811 [1,0,0,1,0,0|1,0,0]=3 10678 B10R1.11 CN(CCO)C1CCCC1 269982a_100000207505_100000211926 [1,0,0,1,0,0|1,0,0]=3 10679 B10R1.11 CN(CCO)C1CCCC1 269982a_100000210263_100000179811 [1,0,0,1,0,0|1,0,0]=3 10680 B10R1.11 CN(CCO)C1CCCC1 269982a_200000200444_200000210301 [1,0,0,1,0,0|1,0,0]=3 10681 B10R1.11 CN(CCO)C1CCCC1 270004a_100000210263_100000210133 [1,0,0,1,0,0|1,0,0]=3 10682 B10R1.11 CN(CCO)C1CCCC1 34a_100000207505_100000211926 [1,0,0,1,0,0|1,0,0]=3 10683 B10R1.11 CN(CCO)C1CCCC1 34a_200000200444_200000210301 [1,0,0,1,0,0|1,0,0]=3 10684 B10R1.11 CN(CCO)C1CCOC1 2230a_100000210263_100000731011 [1,0,0,1,0,0|2,0,0]=4 10685 B10R1.11 CN(CCO)C1CCOC1 2230a_100016988252_100000211926 [1,0,0,1,0,0|2,0,0]=4 10686 B10R1.11 CN(CCO)C1CCOC1 269982a_100000210263_100000731011 [1,0,0,1,0,0|2,0,0]=4 10687 B10R1.11 CN(CCO)C1CCOC1 269982a_100016988252_100000211926 [1,0,0,1,0,0|2,0,0]=4 10688 B10R1.11 CN(CCO)C1CCOC1 270004a_100000210263_100000752484 [1,0,0,1,0,0|2,0,0]=4 10689 B10R1.11 CN(CCO)C1CCOC1 34a_100016988252_100000211926 [1,0,0,1,0,0|2,0,0]=4 10690 B10R1.11 CN(CCO)C1CCSC1 270004a_100000210263_100000212027 [1,0,0,1,0,0|2,0,0]=4 10691 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [1,0,0,1,0,0|1,0,1]=4 10692 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [1,0,0,1,0,0|1,0,1]=4 10693 B10R1.11 [13CH3]N(CCO)C1CCCC1 269982a_200000200444_200025704644 [1,0,0,1,0,0|1,0,0]=3 10694 B10R1.11 [13CH3]N(CCO)C1CCCC1 34a_200000200444_200025704644 [1,0,0,1,0,0|1,0,0]=3 10695 B10R1.21 BrCCCOC1CCOC1 34a_100011217188_100000690089 [1,0,0,1,0,0|2,0,0]=4 10696 B10R1.21 BrCCOCC1CCOC1 34a_100000211926_100011261433 [1,0,0,1,0,0|2,0,0]=4 10697 B10R1.21 CCCCCN1CCCC1 2230a_100000188435_100000210326 [1,0,0,1,0,0|2,0,0]=4 10698 B10R1.21 CCCCCN1CCCC1 269982a_100000188435_100000210215 [1,0,0,1,0,0|2,0,0]=4 10699 B10R1.21 CCCCCN1CCSC1 2230a_100011215254_100000210326 [1,0,0,1,0,0|1,1,0]=4 10700 B10R1.21 CCCCCN1CCSC1 269982a_100011215254_100000210215 [1,0,0,1,0,0|1,1,0]=4 10701 B10R1.21 CCCCNC1CCCC1 2230a_100000102301_100000179811 [1,0,0,1,0,0|2,0,0]=4 10702 B10R1.21 CCCCNC1CCCC1 2230a_100000211070_100000210211 [1,0,0,1,0,0|2,0,0]=4 10703 B10R1.21 CCCCNC1CCCC1 270004a_100000102301_100000210133 [1,0,0,1,0,0|2,0,0]=4 10704 B10R1.21 CCCCNC1CCCC1 34a_100000211070_100000210210 [1,0,0,1,0,0|2,0,0]=4 10705 B10R1.21 CCCCNC1CCCC1 7a_106832991798_100000179811 [1,0,0,1,0,0|2,0,0]=4 10706 B10R1.21 CCCCNC1CCOC1 2230a_100000102301_100000731011 [1,0,0,1,0,0|1,0,0]=3 10707 B10R1.21 CCCCNC1CCOC1 270004a_100000102301_100000752484 [1,0,0,1,0,0|1,0,0]=3 10708 B10R1.21 CCCCNC1CCOC1 7a_106832991798_100000731011 [1,0,0,1,0,0|1,0,0]=3 10709 B10R1.21 CCCCNC1CCSC1 270004a_100000102301_100000212027 [1,0,0,1,0,0|1,1,0]=4 10710 B10R1.21 CCCCN[C@@H]1CCOC1 2230a_200015188469_100000210211 [1,0,0,1,0,0|1,0,0]=3 10711 B10R1.21 CCCCN[C@H]1CCOC1 2230a_100015188467_100000210211 [1,0,0,1,0,0|1,0,0]=3 10712 B10R1.21 CCCCN[C@H]1CCOC1 34a_100015188467_100000210210 [1,0,0,1,0,0|1,0,0]=3 10713 B10R1.21 CCCCOC1CCCC1 34a_100000210227_100000179811 [1,0,0,1,0,0|2,0,0]=4 10714 B10R1.21 CCCCOC1CCCC1 34a_100000210269_100000210210 [1,0,0,1,0,0|2,0,0]=4 10715 B10R1.21 CCCCOC1CCCC1 7a_100000210227_100000179811 [1,0,0,1,0,0|2,0,0]=4 10716 B10R1.21 CCCCOC1CCCC1 7a_100000210269_100000210211 [1,0,0,1,0,0|2,0,0]=4 10717 B10R1.21 CCCCOC1CCOC1 34a_100000210227_100000690089 [1,0,0,1,0,0|1,0,0]=3 10718 B10R1.21 CCCCOC1CCOC1 7a_100000210227_100000731011 [1,0,0,1,0,0|1,0,0]=3 10719 B10R1.21 CCCCOC1CCSC1 7a_100011232664_100000210211 [1,0,0,1,0,0|1,1,0]=4 10720 B10R1.21 CCCCO[C@H]1CCOC1 34a_100000717292_100000210210 [1,0,0,1,0,0|1,0,0]=3 10721 B10R1.21 CCCCSC1CCCC1 62a_100000210211_100000179811 [1,0,0,1,0,0|2,0,0]=4 10722 B10R1.21 CCCCSC1CCCC1 62a_100011217020_100000210210 [1,0,0,1,0,0|2,0,0]=4 10723 B10R1.21 CCCCSC1CCOC1 62a_100000210211_100000690089 [1,0,0,1,0,0|1,0,0]=3 10724 B10R1.21 CCCNCC1CCCC1 2230a_100000737975_100000210303 [1,0,0,1,0,0|2,0,0]=4 10725 B10R1.21 CCCNCC1CCCC1 269862a_100020643023_100000746403 [1,0,0,1,0,0|2,0,0]=4 10726 B10R1.21 CCCNCC1CCCC1 34a_100000737975_100000210303 [1,0,0,1,0,0|2,0,0]=4 10727 B10R1.21 CCCNCC1CCOC1 2230a_100000737293_100000210303 [1,0,0,1,0,0|1,0,0]=3 10728 B10R1.21 CCCNCC1CCOC1 34a_100000737293_100000210303 [1,0,0,1,0,0|1,0,0]=3 10729 B10R1.21 CCCOCC1CCCC1 34a_100000210258_100000740388 [1,0,0,1,0,0|2,0,0]=4 10730 B10R1.21 CCCOCC1CCCC1 34a_100000742336_100000210303 [1,0,0,1,0,0|2,0,0]=4 10731 B10R1.21 CCCOCC1CCCC1 7a_100000742336_100000210303 [1,0,0,1,0,0|2,0,0]=4 10732 B10R1.21 CCCOCC1CCNC1 34a_100000748654_100000210303 [1,0,0,1,0,0|2,0,0]=4 10733 B10R1.21 CCCOCC1CCOC1 34a_100000210258_100011261433 [1,0,0,1,0,0|1,0,0]=3 10734 B10R1.21 CCCOCC1CCOC1 34a_100000740260_100000210303 [1,0,0,1,0,0|1,0,0]=3 10735 B10R1.21 CCCOCC1COCO1 34a_100011216627_100000210303 [1,0,0,1,0,0|2,0,0]=4 10736 B10R1.21 CCCSCC1CCCC1 62a_100000210303_100000740388 [1,0,0,1,0,0|2,0,0]=4 10737 B10R1.21 CCCSCC1CCCC1 62a_100000740388_100000210303 [1,0,0,1,0,0|2,0,0]=4 10738 B10R1.21 CCCSCC1CCOC1 62a_100000210303_100000702531 [1,0,0,1,0,0|1,0,0]=3 10739 B10R1.21 CCCSCC1CCOC1 62a_100000702531_100000210303 [1,0,0,1,0,0|1,0,0]=3 10740 B10R1.21 CCNCCC1CCCC1 2230a_100000739158_100000210202 [1,0,0,1,0,0|2,0,0]=4 10741 B10R1.21 CCNCCC1CCCC1 2230a_100015525214_100000760354 [1,0,0,1,0,0|2,0,0]=4 10742 B10R1.21 CCNCCC1CCCC1 34a_100000739158_100000210202 [1,0,0,1,0,0|2,0,0]=4 10743 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [1,0,0,1,0,0|2,0,0]=4 10744 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [1,0,0,1,0,0|2,0,0]=4 10745 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [1,0,0,1,0,0|2,0,0]=4 10746 B10R1.21 CCOCCC1CCNC1 34a_100016987287_100000210202 [1,0,0,1,0,0|2,0,0]=4 10747 B10R1.21 CCOCCC1CCOC1 34a_100011879284_100000210202 [1,0,0,1,0,0|1,0,0]=3 10748 B10R1.21 CCOCSC1CCOC1 62a_100000739092_100000690089 [1,0,0,1,0,0|2,0,0]=4 10749 B10R1.21 CCSCCC1CCCC1 62a_100000210202_100000760354 [1,0,0,1,0,0|2,0,0]=4 10750 B10R1.21 CCSCCC1CCCC1 62a_100000760354_100000210202 [1,0,0,1,0,0|2,0,0]=4 10751 B10R1.21 CNCCCC1CCCC1 2230a_100000736752_200000210301 [1,0,0,1,0,0|2,0,0]=4 10752 B10R1.21 CNCCCC1CCCC1 2230a_106832991635_100011713738 [1,0,0,1,0,0|2,0,0]=4 10753 B10R1.21 CNCCCC1CCCC1 34a_100000736752_200000210301 [1,0,0,1,0,0|2,0,0]=4 10754 B10R1.21 CNCCCC1CCCC1 34a_100102657272_100011713738 [1,0,0,1,0,0|2,0,0]=4 10755 B10R1.21 CNCCCC1CCCC1 7a_106832991635_100011713738 [1,0,0,1,0,0|2,0,0]=4 10756 B10R1.21 COCCCC1CCCC1 34a_100011215328_200000210301 [1,0,0,1,0,0|2,0,0]=4 10757 B10R1.21 COCCCC1CCCC1 34a_100138415774_100011713738 [1,0,0,1,0,0|2,0,0]=4 10758 B10R1.21 COCCCC1CCCC1 7a_100011215328_200000210301 [1,0,0,1,0,0|2,0,0]=4 10759 B10R1.21 COCCNC1CCOC1 2230a_100000209980_100000731011 [1,0,0,1,0,0|2,0,0]=4 10760 B10R1.21 COCCNC1CCOC1 270004a_100000209980_100000752484 [1,0,0,1,0,0|2,0,0]=4 10761 B10R1.21 COCCN[C@@H]1CCOC1 2230a_200015188469_100011201679 [1,0,0,1,0,0|2,0,0]=4 10762 B10R1.21 COCCN[C@H]1CCOC1 2230a_100015188467_100011201679 [1,0,0,1,0,0|2,0,0]=4 10763 B10R1.21 COCCN[C@H]1CCOC1 34a_100015188467_100011201679 [1,0,0,1,0,0|2,0,0]=4 10764 B10R1.21 COCCOC1CCOC1 34a_100000210237_100000690089 [1,0,0,1,0,0|2,0,0]=4 10765 B10R1.21 COCCO[C@H]1CCOC1 34a_100000717292_100011201679 [1,0,0,1,0,0|2,0,0]=4 10766 B10R1.21 COCCSC1CCOC1 62a_100000233755_100000690089 [1,0,0,1,0,0|2,0,0]=4 10767 B10R1.21 COCNCC1CCOC1 2230a_100000737293_100000766300 [1,0,0,1,0,0|2,0,0]=4 10768 B10R1.21 COCSCC1CCOC1 62a_100000702531_100000766300 [1,0,0,1,0,0|2,0,0]=4 10769 B10R1.21 COCSCC1CCOC1 62a_100000766300_100000702531 [1,0,0,1,0,0|2,0,0]=4 10770 B10R1.21 CSCCCC1CCCC1 62a_100011713738_200000210301 [1,0,0,1,0,0|2,0,0]=4 10771 B10R1.21 CSCCCC1CCCC1 62a_200000210301_100011713738 [1,0,0,1,0,0|2,0,0]=4 10772 B10R1.21 CSCCNC1CCOC1 2230a_100020590264_100000731011 [1,0,0,1,0,0|2,0,0]=4 10773 B10R1.21 CSCCNC1CCOC1 270004a_100020590264_100000752484 [1,0,0,1,0,0|2,0,0]=4 10774 B10R1.21 CSCCN[C@@H]1CCOC1 2230a_200015188469_100000751147 [1,0,0,1,0,0|2,0,0]=4 10775 B10R1.21 CSCCN[C@H]1CCOC1 2230a_100015188467_100000751147 [1,0,0,1,0,0|2,0,0]=4 10776 B10R1.21 CSCCN[C@H]1CCOC1 34a_100015188467_100000212216 [1,0,0,1,0,0|2,0,0]=4 10777 B10R1.21 CSCCOC1CCOC1 34a_100000230434_100000690089 [1,0,0,1,0,0|2,0,0]=4 10778 B10R1.21 CSCCOC1CCOC1 7a_100000230434_100000731011 [1,0,0,1,0,0|2,0,0]=4 10779 B10R1.21 CSCCO[C@H]1CCOC1 34a_100000717292_100000212216 [1,0,0,1,0,0|2,0,0]=4 10780 B10R1.21 CSCCSC1CCOC1 62a_100000212216_100000690089 [1,0,0,1,0,0|2,0,0]=4 10781 B10R1.21 CSCNCC1CCOC1 2230a_100000737293_100011218213 [1,0,0,1,0,0|2,0,0]=4 10782 B10R1.21 CSCNCC1CCOC1 34a_100000737293_100011218213 [1,0,0,1,0,0|2,0,0]=4 10783 B10R1.21 CSCOCC1CCOC1 34a_100000740260_100011218213 [1,0,0,1,0,0|2,0,0]=4 10784 B10R1.21 CSCSCC1CCOC1 62a_100000702531_100011218213 [1,0,0,1,0,0|2,0,0]=4 10785 B10R1.21 CSCSCC1CCOC1 62a_100011218213_100000702531 [1,0,0,1,0,0|2,0,0]=4 10786 B10R1.21 ClCCCOC1CCOC1 34a_100000230001_100000690089 [1,0,0,1,0,0|2,0,0]=4 10787 B10R1.21 FCCCNC1CCOC1 2230a_100015189416_100000731011 [1,0,0,1,0,0|2,0,0]=4 10788 B10R1.21 FCCCNC1CCOC1 270004a_100015189416_100000752484 [1,0,0,1,0,0|2,0,0]=4 10789 B10R1.21 FCCCNC1CCOC1 34a_100015189416_100000690089 [1,0,0,1,0,0|2,0,0]=4 10790 B10R1.21 FCCCN[C@@H]1CCOC1 2230a_200015188469_100011934791 [1,0,0,1,0,0|2,0,0]=4 10791 B10R1.21 FCCCN[C@H]1CCOC1 2230a_100015188467_100011934791 [1,0,0,1,0,0|2,0,0]=4 10792 B10R1.21 FCCCN[C@H]1CCOC1 34a_100015188467_100011934791 [1,0,0,1,0,0|2,0,0]=4 10793 B10R1.21 FCCCOC1CCOC1 34a_100000759539_100000690089 [1,0,0,1,0,0|2,0,0]=4 10794 B10R1.21 FCCCO[C@H]1CCOC1 34a_100000717292_100011934791 [1,0,0,1,0,0|2,0,0]=4 10795 B10R1.21 FCCCSC1CCOC1 62a_100011934791_100000690089 [1,0,0,1,0,0|2,0,0]=4 10796 B10R1.21 FCCNCC1CCOC1 2230a_100000737293_100011217306 [1,0,0,1,0,0|2,0,0]=4 10797 B10R1.21 FCCNCC1CCOC1 34a_100000724931_100011261433 [1,0,0,1,0,0|2,0,0]=4 10798 B10R1.21 FCCNCC1CCOC1 34a_100000737293_100011217306 [1,0,0,1,0,0|2,0,0]=4 10799 B10R1.21 FCCOCC1CCOC1 34a_100000740260_100011217306 [1,0,0,1,0,0|2,0,0]=4 10800 B10R1.21 FCCSCC1CCOC1 62a_100000702531_100011217306 [1,0,0,1,0,0|2,0,0]=4 10801 B10R1.21 FCCSCC1CCOC1 62a_100011217306_100000702531 [1,0,0,1,0,0|2,0,0]=4 10802 B10R1.21 FCOCCC1CCOC1 34a_100011879284_100015361967 [1,0,0,1,0,0|2,0,0]=4 10803 B10R1.21 NCCCOC1CCOC1 34a_100000182051_100000690089 [1,0,0,1,0,0|2,0,0]=4 10804 B10R1.21 NCCOCC1CCOC1 34a_100000210304_100011261433 [1,0,0,1,0,0|2,0,0]=4 10805 B10R1.21 OCCCNC1CCOC1 270004a_100000182051_100000752484 [1,0,0,1,0,0|2,0,0]=4 10806 B10R1.21 OCCCN[C@@H]1CCOC1 2230a_200015188469_100000230001 [1,0,0,1,0,0|2,0,0]=4 10807 B10R1.21 OCCCN[C@H]1CCOC1 2230a_100015188467_100000230001 [1,0,0,1,0,0|2,0,0]=4 10808 B10R1.21 OCCCN[C@H]1CCOC1 34a_100015188467_100000230001 [1,0,0,1,0,0|2,0,0]=4 10809 B10R1.21 OCCCO[C@H]1CCOC1 34a_100000717292_100000230001 [1,0,0,1,0,0|2,0,0]=4 10810 B10R1.21 OCCCSC1CCOC1 62a_100011215043_100000690089 [1,0,0,1,0,0|2,0,0]=4 10811 B10R1.21 OCCNCC1CCOC1 2230a_100000737293_100000211926 [1,0,0,1,0,0|2,0,0]=4 10812 B10R1.21 OCCNCC1CCOC1 2230a_100016997473_100000702531 [1,0,0,1,0,0|2,0,0]=4 10813 B10R1.21 OCCNCC1CCOC1 34a_100000737293_100000211926 [1,0,0,1,0,0|2,0,0]=4 10814 B10R1.21 OCCNCC1CCOC1 34a_100016990907_100011261433 [1,0,0,1,0,0|2,0,0]=4 10815 B10R1.21 OCCOCC1CCOC1 34a_100000740260_100000211926 [1,0,0,1,0,0|2,0,0]=4 10816 B10R1.21 OCCSCC1CCOC1 62a_100000211926_100000702531 [1,0,0,1,0,0|2,0,0]=4 10817 B10R1.21 OCCSCC1CCOC1 62a_100000702531_100000211926 [1,0,0,1,0,0|2,0,0]=4 10818 B10R1.21 [13CH3]NCCCC1CCCC1 2230a_100000736752_200025704644 [1,0,0,1,0,0|2,0,0]=4 10819 B10R1.21 [13CH3]NCCCC1CCCC1 34a_100000736752_200025704644 [1,0,0,1,0,0|2,0,0]=4 10820 B10R1.21 [13CH3]OCCCC1CCCC1 34a_100011215328_200025704644 [1,0,0,1,0,0|2,0,0]=4 10821 B10R1.21 [13CH3]OCCCC1CCCC1 7a_100011215328_200025704644 [1,0,0,1,0,0|2,0,0]=4 10822 B10R1.21 [13CH3]SCCCC1CCCC1 62a_100011713738_200025704644 [1,0,0,1,0,0|2,0,0]=4 10823 B10R1.21 [13CH3]SCCCC1CCCC1 62a_200025704644_100011713738 [1,0,0,1,0,0|2,0,0]=4 10824 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 34a_100011539931_200025704644 [1,0,0,1,0,0|2,0,0]=4 10825 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 7a_100011539931_200025704644 [1,0,0,1,0,0|2,0,0]=4 10826 B10R1.25 COC1CCC(CC1C)C 34a_100011539931_200000210301 [1,0,0,1,0,0|2,0,0]=4 10827 B10R1.25 COC1CCC(CC1C)C 7a_100011539931_200000210301 [1,0,0,1,0,0|2,0,0]=4 10828 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)C 2230a_200015396376_200000210301 [1,0,0,1,0,0|2,0,0]=4 10829 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)C 269982a_200015396376_200000210301 [1,0,0,1,0,0|2,0,0]=4 10830 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)[13CH3] 2230a_200015396376_200025704644 [1,0,0,1,0,0|2,0,0]=4 10831 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)[13CH3] 269982a_200015396376_200025704644 [1,0,0,1,0,0|2,0,0]=4 10832 B10R1.29 CCCCN1CCC[C@@H]1C 2230a_100020605311_100000210211 [1,0,0,1,0,0|2,0,0]=4 10833 B10R1.29 CCCCN1CCC[C@@H]1C 269982a_100020605311_100000210211 [1,0,0,1,0,0|2,0,0]=4 10834 B10R1.29 CCCCN1CCC[C@H]1C 2230a_100015189458_100000210211 [1,0,0,1,0,0|2,0,0]=4 10835 B10R1.29 CCCCN1CCC[C@H]1C 269982a_100015189458_100000210211 [1,0,0,1,0,0|2,0,0]=4 10836 B10R1.29 CCCCN1CCC[C@H]1C 34a_100015189458_100000210210 [1,0,0,1,0,0|2,0,0]=4 10837 B10R1.29 CCCNC1CCCC1C 269862a_100020643023_100000752053 [1,0,0,1,0,0|2,0,0]=4 10838 B10R1.29 CCCOC1CCCC1C 34a_100011216460_100000210303 [1,0,0,1,0,0|2,0,0]=4 10839 B10R1.29 CCCOC1CCCC1C 7a_100011216460_100000210303 [1,0,0,1,0,0|2,0,0]=4 10840 B10R1.85 CCCN1CCCCCC1 2230a_100000185865_100000210303 [1,0,0,1,0,0|2,0,0]=4 10841 B10R1.85 CCCN1CCCCCC1 269982a_100000185865_100000210303 [1,0,0,1,0,0|2,0,0]=4 10842 B10R1.85 CCCN1CCCCCC1 34a_100000185865_100000210303 [1,0,0,1,0,0|2,0,0]=4 10843 B10R1.85 CCNC1CCCCCC1 2230a_100000210984_100000210202 [1,0,0,1,0,0|2,0,0]=4 10844 B10R1.85 CCNC1CCCCCC1 270004a_100015525214_100000210131 [1,0,0,1,0,0|2,0,0]=4 10845 B10R1.85 CCNC1CCCCCC1 34a_100000210984_100000210202 [1,0,0,1,0,0|2,0,0]=4 10846 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [1,0,0,1,0,0|2,0,0]=4 10847 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [1,0,0,1,0,0|2,0,0]=4 10848 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [1,0,0,1,0,0|2,0,0]=4 10849 B10R1.85 CCSC1CCCCCC1 62a_100000210202_100011217769 [1,0,0,1,0,0|2,0,0]=4 10850 B10R1.85 CCSC1CCCCCC1 62a_100011217769_100000210202 [1,0,0,1,0,0|2,0,0]=4 10851 B10R1.85 CNCC1CCCCCC1 2230a_100015204231_200000210301 [1,0,0,1,0,0|2,0,0]=4 10852 B10R1.85 CNCC1CCCCCC1 2230a_106832991635_200000696569 [1,0,0,1,0,0|2,0,0]=4 10853 B10R1.85 CNCC1CCCCCC1 269862a_106832991636_200000763224 [1,0,0,1,0,0|2,0,0]=4 10854 B10R1.85 CNCC1CCCCCC1 34a_100015204231_200000210301 [1,0,0,1,0,0|2,0,0]=4 10855 B10R1.85 CNCC1CCCCCC1 34a_100102657272_200000696569 [1,0,0,1,0,0|2,0,0]=4 10856 B10R1.85 CNCC1CCCCCC1 7a_106832991635_200000696569 [1,0,0,1,0,0|2,0,0]=4 10857 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [1,0,0,1,0,0|2,0,0]=4 10858 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [1,0,0,1,0,0|2,0,0]=4 10859 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [1,0,0,1,0,0|2,0,0]=4 10860 B10R1.85 CSCC1CCCCCC1 62a_200000210301_200000696569 [1,0,0,1,0,0|2,0,0]=4 10861 B10R1.85 CSCC1CCCCCC1 62a_200000696569_200000210301 [1,0,0,1,0,0|2,0,0]=4 10862 B10R1.85 FCCN1CCCCCC1 2230a_100000185865_100011217306 [1,0,0,1,0,0|2,0,0]=4 10863 B10R1.85 FCCN1CCCCCC1 269982a_100000185865_100011217306 [1,0,0,1,0,0|2,0,0]=4 10864 B10R1.85 FCCN1CCCCCC1 34a_100000185865_100011217306 [1,0,0,1,0,0|2,0,0]=4 10865 B10R1.85 FCNC1CCCCCC1 34a_100000210984_100015361967 [1,0,0,1,0,0|2,0,0]=4 10866 B10R1.85 FCOC1CCCCCC1 34a_100000210887_100015361967 [1,0,0,1,0,0|2,0,0]=4 10867 B10R1.85 FCOC1CCCCCC1 7a_100000210887_100015361967 [1,0,0,1,0,0|2,0,0]=4 10868 B10R1.85 FCSC1CCCCCC1 62a_100011217769_100015361967 [1,0,0,1,0,0|2,0,0]=4 10869 B10R1.85 FCSC1CCCCCC1 62a_100015361967_100011217769 [1,0,0,1,0,0|2,0,0]=4 10870 B10R1.85 OCCN1CCCCCC1 2230a_100000185865_100000211926 [1,0,0,1,0,0|1,0,0]=3 10871 B10R1.85 OCCN1CCCCCC1 269982a_100000185865_100000211926 [1,0,0,1,0,0|1,0,0]=3 10872 B10R1.85 OCCN1CCCCCC1 34a_100000185865_100000211926 [1,0,0,1,0,0|1,0,0]=3 10873 B10R1.85 OCCN1CCCOCC1 2230a_100000685342_100000211926 [1,0,0,1,0,0|2,0,0]=4 10874 B10R1.85 OCCN1CCCOCC1 269982a_100000685342_100000211926 [1,0,0,1,0,0|2,0,0]=4 10875 B10R1.85 OCCN1CCCOCC1 34a_100000685342_100000211926 [1,0,0,1,0,0|2,0,0]=4 10876 B10R1.85 [13CH3]NCC1CCCCCC1 2230a_100015204231_200025704644 [1,0,0,1,0,0|2,0,0]=4 10877 B10R1.85 [13CH3]NCC1CCCCCC1 34a_100015204231_200025704644 [1,0,0,1,0,0|2,0,0]=4 10878 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [1,0,0,1,0,0|2,0,0]=4 10879 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [1,0,0,1,0,0|2,0,0]=4 10880 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200000696569_200025704644 [1,0,0,1,0,0|2,0,0]=4 10881 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200025704644_200000696569 [1,0,0,1,0,0|2,0,0]=4 10882 B10R1.92 CCOC1CN(C1)CCO 269982a_100000732654_100000211926 [1,0,0,1,0,0|2,0,0]=4 10883 B10R1.92 CCOC1CN(C1)CCO 34a_100000732654_100000211926 [1,0,0,1,0,0|2,0,0]=4 10884 B10R1.92 COCC1CN(C1)CCO 2230a_100016993750_100000211926 [1,0,0,1,0,0|2,0,0]=4 10885 B10R1.92 COCC1CN(C1)CCO 269982a_100016993750_100000211926 [1,0,0,1,0,0|2,0,0]=4 10886 B10R1.92 COCC1CN(C1)CCO 34a_100016993750_100000211926 [1,0,0,1,0,0|2,0,0]=4 10887 B10R1.96 CCCC1CCC(C1)NC 270004a_106832991635_200012087856 [1,0,0,1,0,0|2,0,0]=4 10888 B10R1.96 CCN1CCC(C1)CCO 2230a_100016987287_100000210202 [1,0,0,1,0,0|1,0,0]=3 10889 B10R1.96 CCN1CCC(C1)CCO 269982a_100016987287_100000204670 [1,0,0,1,0,0|1,0,0]=3 10890 B10R1.96 CCN1CCC(C1)CCO 34a_100016987287_100000210202 [1,0,0,1,0,0|1,0,0]=3 10891 B10R1.96 CCNC1CCC(C1)CC 270004a_100015525214_100011218773 [1,0,0,1,0,0|2,0,0]=4 10892 B10R1.96 CO[C@@H]1CCN(C1)CCO 2230a_100000766984_100000211926 [1,0,0,1,0,0|2,0,0]=4 10893 B10R1.96 CO[C@@H]1CCN(C1)CCO 269982a_100000766984_100000211926 [1,0,0,1,0,0|2,0,0]=4 10894 B10R1.96 OCCC1CCN(C1)CF 269982a_100016987287_100015361967 [1,0,0,1,0,0|2,0,0]=4 10895 B10R1.96 OCCC1CCN(C1)CF 34a_100016987287_100015361967 [1,0,0,1,0,0|2,0,0]=4 10896 B10R1.96 OCCN1CCC(C1)CO 2230a_100000748654_100000211926 [1,0,0,1,0,0|2,0,0]=4 10897 B10R1.96 OCCN1CCC(C1)CO 269982a_100000748654_100000211926 [1,0,0,1,0,0|2,0,0]=4 10898 B10R1.96 OCCN1CCC(C1)CO 34a_100000748654_100000211926 [1,0,0,1,0,0|2,0,0]=4 10899 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [1,0,0,1,0,0|1,0,1]=4 10900 B10R1.136 CC(CCO)N[C@@H]1C[C@@H]1F 2230a_100015190264_100009893172 [1,0,0,1,0,0|2,0,0]=4 10901 B10R1.136 CC(CCO)N[C@@H]1C[C@H]1F 2230a_100025746932_100009893172 [1,0,0,1,0,0|2,0,0]=4 10902 B10R1.136 CC(CCO)N[C@@H]1C[C@H]1F 34a_100025746932_100009893172 [1,0,0,1,0,0|2,0,0]=4 10903 B10R1.137 CC(CCBr)OC1CCC1 34a_100012276601_100000749161 [1,0,0,1,0,0|2,0,0]=4 10904 B10R1.137 CC(CCO)NC1CCC1 2230a_100000749019_100009893172 [1,0,0,1,0,0|1,0,0]=3 10905 B10R1.137 CC(CCO)NC1CCC1 34a_100000749019_100009893172 [1,0,0,1,0,0|1,0,0]=3 10906 B10R1.137 CC(CCO)NC1COC1 2230a_100016991112_100009893172 [1,0,0,1,0,0|2,0,0]=4 10907 B10R1.137 CC(CCO)OC1CCC1 34a_100000748187_100009893172 [1,0,0,1,0,0|1,0,0]=3 10908 B10R1.137 CC(CCO)OC1CSC1 7a_100000072292_100009893172 [1,0,0,1,0,0|2,0,0]=4 10909 B10R1.137 CC(CCO)SC1CCC1 62a_100009893172_100000749161 [1,0,0,1,0,0|1,0,0]=3 10910 B10R1.137 CC(CCO)SC1COC1 62a_100009893172_100009818527 [1,0,0,1,0,0|2,0,0]=4 10911 B10R1.137 CCCC(C)CN1CCC1 269982a_100000754969_100011216630 [1,0,0,1,0,0|2,0,0]=4 10912 B10R1.137 CCCC(C)NC1CCC1 2230a_100000749019_100000766640 [1,0,0,1,0,0|2,0,0]=4 10913 B10R1.137 CCCC(C)NC1CCC1 270004a_100000741246_100000241760 [1,0,0,1,0,0|2,0,0]=4 10914 B10R1.137 CCCC(C)NC1CCC1 34a_100000749019_100000766640 [1,0,0,1,0,0|2,0,0]=4 10915 B10R1.137 CCCC(C)OC1CCC1 34a_100000748187_100000766640 [1,0,0,1,0,0|2,0,0]=4 10916 B10R1.137 CCCC(C)OC1CCC1 34a_100000764384_100000749161 [1,0,0,1,0,0|2,0,0]=4 10917 B10R1.137 CCCC(C)SC1CCC1 62a_100000766640_100000749161 [1,0,0,1,0,0|2,0,0]=4 10918 B10R1.137 CCCN(C)CC1CCC1 2230a_100000747261_100000763275 [1,0,0,1,0,0|2,0,0]=4 10919 B10R1.137 CCCN(C)CC1CCC1 2230a_200000750244_100000210303 [1,0,0,1,0,0|2,0,0]=4 10920 B10R1.137 CCCN(C)CC1CCC1 269982a_100000747261_100000763275 [1,0,0,1,0,0|2,0,0]=4 10921 B10R1.137 CCCN(C)CC1CCC1 269982a_200000750244_100000210303 [1,0,0,1,0,0|2,0,0]=4 10922 B10R1.137 CCCN(C)CC1CCC1 34a_200000750244_100000210303 [1,0,0,1,0,0|2,0,0]=4 10923 B10R1.137 CN(CCF)CC1CCC1 2230a_200000750244_100011217306 [1,0,0,1,0,0|2,0,0]=4 10924 B10R1.137 CN(CCF)CC1CCC1 269982a_200000750244_100011217306 [1,0,0,1,0,0|2,0,0]=4 10925 B10R1.137 CN(CCF)CC1CCC1 34a_200000750244_100011217306 [1,0,0,1,0,0|2,0,0]=4 10926 B10R1.137 CN(CCO)CC1CCC1 2230a_100000210263_100000763275 [1,0,0,1,0,0|1,0,0]=3 10927 B10R1.137 CN(CCO)CC1CCC1 2230a_200000750244_100000211926 [1,0,0,1,0,0|1,0,0]=3 10928 B10R1.137 CN(CCO)CC1CCC1 269982a_100000210263_100000763275 [1,0,0,1,0,0|1,0,0]=3 10929 B10R1.137 CN(CCO)CC1CCC1 269982a_200000750244_100000211926 [1,0,0,1,0,0|1,0,0]=3 10930 B10R1.137 CN(CCO)CC1CCC1 34a_200000750244_100000211926 [1,0,0,1,0,0|1,0,0]=3 10931 B10R1.137 CN(CCO)CC1CCO1 2230a_100000210263_100000103362 [1,0,0,1,0,0|2,0,0]=4 10932 B10R1.137 CN(CCO)CC1CCO1 269982a_100000210263_100000103362 [1,0,0,1,0,0|2,0,0]=4 10933 B10R1.137 CN(CCO)CC1COC1 2230a_100000210263_100010264016 [1,0,0,1,0,0|2,0,0]=4 10934 B10R1.137 CN(CCO)CC1COC1 269982a_100000210263_100010264016 [1,0,0,1,0,0|2,0,0]=4 10935 B10R1.137 C[C@H](CCO)NC1CCC1 270004a_100000706166_100000241760 [1,0,0,1,0,0|1,0,0]=3 10936 B10R1.137 C[C@H](CCO)NC1CCC1 34a_100000706166_100000749161 [1,0,0,1,0,0|1,0,0]=3 10937 B10R1.137 C[C@H](CCO)NC1COC1 34a_100000706166_100009818527 [1,0,0,1,0,0|2,0,0]=4 10938 B10R1.137 O=C(CCO)CC1CCC1 1458a_100000763092_100000211926 [1,0,0,1,0,0|1,0,1]=4 10939 B10R1.137 O=C(CCO)CC1CCC1 1458a_100011216618_100000763275 [1,0,0,1,0,0|1,0,1]=4 10940 B10R1.138 CC(CCBr)OCC1CC1 34a_100012276601_100000742324 [1,0,0,1,0,0|2,0,0]=4 10941 B10R1.138 CC(CCN)COC1CC1 34a_106354213184_100000211595 [1,0,0,1,0,0|2,0,0]=4 10942 B10R1.138 CC(CCO)NCC1CC1 2230a_100000735609_100009893172 [1,0,0,1,0,0|1,0,0]=3 10943 B10R1.138 CC(CCO)NCC1CC1 34a_100000735609_100009893172 [1,0,0,1,0,0|1,0,0]=3 10944 B10R1.138 CC(CCO)OCC1CC1 34a_100000211283_100009893172 [1,0,0,1,0,0|1,0,0]=3 10945 B10R1.138 CC(CCO)OC[C@@H]1CO1 34a_100000757423_100009893172 [1,0,0,1,0,0|2,0,0]=4 10946 B10R1.138 CC(CCO)SCC1CC1 62a_100000756562_100009893172 [1,0,0,1,0,0|1,0,0]=3 10947 B10R1.138 CC(CCO)SCC1CC1 62a_100009893172_100000742324 [1,0,0,1,0,0|1,0,0]=3 10948 B10R1.138 CC(CCO)SCC1CO1 62a_100009893172_102125554688 [1,0,0,1,0,0|2,0,0]=4 10949 B10R1.138 CC(CCO)SCC1CO1 62a_102125554688_100009893172 [1,0,0,1,0,0|2,0,0]=4 10950 B10R1.138 CC(CCO)SCC1CS1 62a_100000031435_100009893172 [1,0,0,1,0,0|2,0,0]=4 10951 B10R1.138 CC(CCO)SCC1CS1 62a_100009893172_100000031435 [1,0,0,1,0,0|2,0,0]=4 10952 B10R1.138 CC(CCO)SC[C@@H]1CO1 62a_100000745022_100009893172 [1,0,0,1,0,0|2,0,0]=4 10953 B10R1.138 CC(CCO)SC[C@@H]1CO1 62a_100009893172_100000745022 [1,0,0,1,0,0|2,0,0]=4 10954 B10R1.138 CCCC(C)CNC1CC1 34a_100000212008_100011216630 [1,0,0,1,0,0|2,0,0]=4 10955 B10R1.138 CCCC(C)COC1CC1 34a_100000688023_100000211595 [1,0,0,1,0,0|2,0,0]=4 10956 B10R1.138 CCCC(C)CSC1CC1 62a_100011216630_100000211595 [1,0,0,1,0,0|2,0,0]=4 10957 B10R1.138 CCCC(C)NCC1CC1 2230a_100000735609_100000766640 [1,0,0,1,0,0|2,0,0]=4 10958 B10R1.138 CCCC(C)NCC1CC1 2230a_100000741246_100000742324 [1,0,0,1,0,0|2,0,0]=4 10959 B10R1.138 CCCC(C)NCC1CC1 269862a_100000741246_100000741477 [1,0,0,1,0,0|2,0,0]=4 10960 B10R1.138 CCCC(C)NCC1CC1 270004a_100000735609_100000211909 [1,0,0,1,0,0|2,0,0]=4 10961 B10R1.138 CCCC(C)NCC1CC1 34a_100000735609_100000766640 [1,0,0,1,0,0|2,0,0]=4 10962 B10R1.138 CCCC(C)OCC1CC1 34a_100000211283_100000766640 [1,0,0,1,0,0|2,0,0]=4 10963 B10R1.138 CCCC(C)OCC1CC1 34a_100000764384_100000742324 [1,0,0,1,0,0|2,0,0]=4 10964 B10R1.138 CCCC(C)OCC1CC1 7a_100000764384_100000742324 [1,0,0,1,0,0|2,0,0]=4 10965 B10R1.138 CCCC(C)SCC1CC1 62a_100000756562_100000766640 [1,0,0,1,0,0|2,0,0]=4 10966 B10R1.138 CCCC(C)SCC1CC1 62a_100000766640_100000742324 [1,0,0,1,0,0|2,0,0]=4 10967 B10R1.138 CCCN(C)CCC1CC1 2230a_100000747261_100000694398 [1,0,0,1,0,0|2,0,0]=4 10968 B10R1.138 CCCN(C)CCC1CC1 269982a_100000747261_100000694398 [1,0,0,1,0,0|2,0,0]=4 10969 B10R1.138 CN(CCO)CCC1CC1 2230a_100000210263_100000694398 [1,0,0,1,0,0|1,0,0]=3 10970 B10R1.138 CN(CCO)CCC1CC1 269982a_100000210263_100000694398 [1,0,0,1,0,0|1,0,0]=3 10971 B10R1.138 CN(CCO)CCC1CO1 2230a_100000210263_100000732470 [1,0,0,1,0,0|2,0,0]=4 10972 B10R1.138 CN(CCO)CCC1CO1 269982a_100000210263_100000732470 [1,0,0,1,0,0|2,0,0]=4 10973 B10R1.138 C[C@H](CCO)NCC1CC1 2230a_100000706166_100000742324 [1,0,0,1,0,0|1,0,0]=3 10974 B10R1.138 C[C@H](CCO)NCC1CC1 269862a_100000706166_100000741477 [1,0,0,1,0,0|1,0,0]=3 10975 B10R1.138 C[C@H](CCO)NCC1CC1 34a_100000706166_100000742324 [1,0,0,1,0,0|1,0,0]=3 10976 B10R1.138 C[C@H](CCO)NCC1CO1 2230a_100000706166_100011216344 [1,0,0,1,0,0|2,0,0]=4 10977 B10R1.138 C[C@H](CCO)NCC1CO1 34a_100000706166_102125554688 [1,0,0,1,0,0|2,0,0]=4 10978 B10R1.138 O=C(CCO)CCC1CC1 1458a_100000756386_100000211926 [1,0,0,1,0,0|1,0,1]=4 10979 B10R1.138 O=C(CCO)CCC1CC1 1458a_100011216618_100000694398 [1,0,0,1,0,0|1,0,1]=4 10980 B10R1.139 CC(CCO)N1CCC1C 269982a_100000755817_100009893172 [1,0,0,1,0,0|1,0,0]=3 10981 B10R1.139 CC(CCO)N1CCC1C 34a_100000755817_100009893172 [1,0,0,1,0,0|1,0,0]=3 10982 B10R1.139 CCCC(C)N1CCC1C 269982a_100000755817_100000766640 [1,0,0,1,0,0|2,0,0]=4 10983 B10R1.139 CCCC(C)N1CCC1C 34a_100000755817_100000766640 [1,0,0,1,0,0|2,0,0]=4 10984 B10R1.186 CC(NCCCF)C1CO1 270004a_100015189416_100000031964 [1,0,0,1,0,0|2,0,0]=4 10985 B10R1.186 CC(NCCCO)C1CO1 270004a_100000182051_100000031964 [1,0,0,1,0,0|2,0,0]=4 10986 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [1,0,0,1,0,0|1,0,1]=4 10987 B10R1.186 CCCCCN(C)C1CC1 2230a_100000226674_100000210326 [1,0,0,1,0,0|2,0,0]=4 10988 B10R1.186 CCCCCN(C)C1CC1 269982a_100000223495_100000211595 [1,0,0,1,0,0|2,0,0]=4 10989 B10R1.186 CCCCCN(C)C1CC1 269982a_100000226674_100000210215 [1,0,0,1,0,0|2,0,0]=4 10990 B10R1.186 CCCCNC(C)C1CC1 2230a_100000700016_100000210211 [1,0,0,1,0,0|2,0,0]=4 10991 B10R1.186 CCCCNC(C)C1CC1 269862a_100000102301_100000210639 [1,0,0,1,0,0|2,0,0]=4 10992 B10R1.186 CCCCNC(C)C1CC1 34a_100000700016_100000210210 [1,0,0,1,0,0|2,0,0]=4 10993 B10R1.186 CCCCNC(C)C1CO1 270004a_100000102301_100000031964 [1,0,0,1,0,0|1,0,0]=3 10994 B10R1.186 CCCCOC(C)C1CC1 34a_100000744524_100000210210 [1,0,0,1,0,0|2,0,0]=4 10995 B10R1.186 CCCCOC(C)C1CC1 7a_100000744524_100000210211 [1,0,0,1,0,0|2,0,0]=4 10996 B10R1.186 COCCNC(C)C1CO1 270004a_100000209980_100000031964 [1,0,0,1,0,0|2,0,0]=4 10997 B10R1.186 CSCCNC(C)C1CO1 270004a_100020590264_100000031964 [1,0,0,1,0,0|2,0,0]=4 10998 B10R1.245 CC1CCCC(C1O[13CH3])C 34a_100011218088_200025704644 [1,0,0,1,0,0|2,0,0]=4 10999 B10R1.245 CC1CCCC(C1O[13CH3])C 7a_100011218088_200025704644 [1,0,0,1,0,0|2,0,0]=4 11000 B10R1.245 CC1CCCC(N1CF)C 269982a_100000210447_100015361967 [1,0,0,1,0,0|2,0,0]=4 11001 B10R1.245 CC1CCCC(N1CF)C 34a_100000210447_100015361967 [1,0,0,1,0,0|2,0,0]=4 11002 B10R1.245 CCN1C(CCCC1C)C 2230a_100000210447_100000210202 [1,0,0,1,0,0|2,0,0]=4 11003 B10R1.245 CCN1C(CCCC1C)C 269982a_100000210447_100000204670 [1,0,0,1,0,0|2,0,0]=4 11004 B10R1.245 CCN1C(CCCC1C)C 34a_100000210447_100000210202 [1,0,0,1,0,0|2,0,0]=4 11005 B10R1.245 CNC1C(CCCC1C)C 269862a_106832991636_100000211995 [1,0,0,1,0,0|2,0,0]=4 11006 B10R1.245 COC1C(CCCC1C)C 34a_100011218088_200000210301 [1,0,0,1,0,0|2,0,0]=4 11007 B10R1.245 COC1C(CCCC1C)C 7a_100011218088_200000210301 [1,0,0,1,0,0|2,0,0]=4 11008 B10R1.376 CCCCNC1(CCC1)C 2230a_100000692455_100000210211 [1,0,0,1,0,0|2,0,0]=4 11009 B10R1.376 CCCCNC1(CCC1)C 34a_100000692455_100000210210 [1,0,0,1,0,0|2,0,0]=4 11010 B10R1.376 CCCCOC1(CCC1)C 34a_100000759064_100000210210 [1,0,0,1,0,0|2,0,0]=4 11011 B10R1.376 CCCCOC1(CCC1)C 7a_100000759064_100000210211 [1,0,0,1,0,0|2,0,0]=4 11012 B10R1.376 CCCNCC1(CCC1)C 2230a_100000706607_100000210303 [1,0,0,1,0,0|2,0,0]=4 11013 B10R1.376 CCCOCC1(CCC1)C 34a_100000210258_100000726658 [1,0,0,1,0,0|2,0,0]=4 11014 B10R1.376 CCCSCC1(CCC1)C 62a_100000210303_100000726658 [1,0,0,1,0,0|2,0,0]=4 11015 B10R1.376 CCCSCC1(CCC1)C 62a_100000726658_100000210303 [1,0,0,1,0,0|2,0,0]=4 11016 B10R1.377 CC1(CCCCC1)CN[13CH3] 2230a_100000706052_200025704644 [1,0,0,1,0,0|2,0,0]=4 11017 B10R1.377 CC1(CCCCC1)CN[13CH3] 34a_100000706052_200025704644 [1,0,0,1,0,0|2,0,0]=4 11018 B10R1.377 CC1(CCCCC1)CO[13CH3] 34a_100000688186_200025704644 [1,0,0,1,0,0|2,0,0]=4 11019 B10R1.377 CC1(CCCCC1)CO[13CH3] 7a_100000688186_200025704644 [1,0,0,1,0,0|2,0,0]=4 11020 B10R1.377 CC1(CCCCC1)NCF 34a_100000741114_100015361967 [1,0,0,1,0,0|2,0,0]=4 11021 B10R1.377 CC1(CCCCC1)OCF 34a_100011215885_100015361967 [1,0,0,1,0,0|2,0,0]=4 11022 B10R1.377 CC1(CCCCC1)OCF 7a_100011215885_100015361967 [1,0,0,1,0,0|2,0,0]=4 11023 B10R1.377 CCNC1(CCCCC1)C 2230a_100000741114_100000210202 [1,0,0,1,0,0|2,0,0]=4 11024 B10R1.377 CCNC1(CCCCC1)C 34a_100000741114_100000210202 [1,0,0,1,0,0|2,0,0]=4 11025 B10R1.377 CCOC1(CCCCC1)C 34a_100011215885_100000210202 [1,0,0,1,0,0|2,0,0]=4 11026 B10R1.377 CCOC1(CCCCC1)C 7a_100011215885_100000210202 [1,0,0,1,0,0|2,0,0]=4 11027 B10R1.377 CNCC1(CCCCC1)C 2230a_100000706052_200000210301 [1,0,0,1,0,0|2,0,0]=4 11028 B10R1.377 CNCC1(CCCCC1)C 269862a_106832991636_100011935227 [1,0,0,1,0,0|2,0,0]=4 11029 B10R1.377 CNCC1(CCCCC1)C 34a_100000706052_200000210301 [1,0,0,1,0,0|2,0,0]=4 11030 B10R1.377 COCC1(CCCCC1)C 34a_100000688186_200000210301 [1,0,0,1,0,0|2,0,0]=4 11031 B10R1.377 COCC1(CCCCC1)C 7a_100000688186_200000210301 [1,0,0,1,0,0|2,0,0]=4 11032 B10R1.1 CC1CCC(CC1)CN[13CH3] 2230a_103436935547_200025704644 [0,0,0,1,1,0|2,0,0]=4 11033 B10R1.1 CC1CCC(CC1)CN[13CH3] 34a_103436935547_200025704644 [0,0,0,1,1,0|2,0,0]=4 11034 B10R1.1 CC1CCC(CC1)CO[13CH3] 34a_100000701341_200025704644 [0,0,0,1,1,0|2,0,0]=4 11035 B10R1.1 CC1CCC(CC1)OCF 34a_100000210714_100015361967 [0,0,0,1,1,0|2,0,0]=4 11036 B10R1.1 CC1CCC(CC1)OCF 7a_100000210714_100015361967 [0,0,0,1,1,0|2,0,0]=4 11037 B10R1.1 CC1CCC(CC1)SCF 62a_100015361967_200011216234 [0,0,0,1,1,0|2,0,0]=4 11038 B10R1.1 CC1CCN(CC1)CCF 2230a_100000188429_100011217306 [0,0,0,1,1,0|2,0,0]=4 11039 B10R1.1 CC1CCN(CC1)CCF 269982a_100000188429_100011217306 [0,0,0,1,1,0|2,0,0]=4 11040 B10R1.1 CC1CCN(CC1)CCF 34a_100000188429_100011217306 [0,0,0,1,1,0|2,0,0]=4 11041 B10R1.1 CC1CCN(CC1)CCO 2230a_100000188429_100000211926 [0,0,0,1,1,0|1,0,0]=3 11042 B10R1.1 CC1CCN(CC1)CCO 269982a_100000188429_100000211926 [0,0,0,1,1,0|1,0,0]=3 11043 B10R1.1 CC1CCN(CC1)CCO 34a_100000188429_100000211926 [0,0,0,1,1,0|1,0,0]=3 11044 B10R1.1 CCCC1CCN(CC1)C 2230a_100015355601_200000210301 [0,0,0,1,1,0|2,0,0]=4 11045 B10R1.1 CCCC1CCN(CC1)C 269982a_100015355601_200000210301 [0,0,0,1,1,0|2,0,0]=4 11046 B10R1.1 CCCC1CCN(CC1)C 34a_100015355601_200000210301 [0,0,0,1,1,0|2,0,0]=4 11047 B10R1.1 CCCC1CCN(CC1)[13CH3] 2230a_100015355601_200025704644 [0,0,0,1,1,0|2,0,0]=4 11048 B10R1.1 CCCC1CCN(CC1)[13CH3] 269982a_100015355601_200025704644 [0,0,0,1,1,0|2,0,0]=4 11049 B10R1.1 CCCC1CCN(CC1)[13CH3] 34a_100015355601_200025704644 [0,0,0,1,1,0|2,0,0]=4 11050 B10R1.1 CCCN1CCC(CC1)C 2230a_100000188429_100000210303 [0,0,0,1,1,0|2,0,0]=4 11051 B10R1.1 CCCN1CCC(CC1)C 269982a_100000188429_100000210303 [0,0,0,1,1,0|2,0,0]=4 11052 B10R1.1 CCCN1CCC(CC1)C 34a_100000188429_100000210303 [0,0,0,1,1,0|2,0,0]=4 11053 B10R1.1 CCNC1CCC(CC1)C 270004a_100015525214_100000185489 [0,0,0,1,1,0|2,0,0]=4 11054 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210202 [0,0,0,1,1,0|2,0,0]=4 11055 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210202 [0,0,0,1,1,0|2,0,0]=4 11056 B10R1.1 CCOC1CCC(CC1)C 34a_100000210714_100000210202 [0,0,0,1,1,0|2,0,0]=4 11057 B10R1.1 CCOC1CCC(CC1)C 34a_100121572206_200011216234 [0,0,0,1,1,0|2,0,0]=4 11058 B10R1.1 CCOC1CCC(CC1)C 7a_100000210714_100000210202 [0,0,0,1,1,0|2,0,0]=4 11059 B10R1.1 CCSC1CCC(CC1)C 62a_100000210202_200011216234 [0,0,0,1,1,0|2,0,0]=4 11060 B10R1.1 CN1CCC(CC1)CCO 2230a_100015190746_200000210301 [0,0,0,1,1,0|1,0,0]=3 11061 B10R1.1 CN1CCC(CC1)CCO 269982a_100015190746_200000210301 [0,0,0,1,1,0|1,0,0]=3 11062 B10R1.1 CN1CCC(CC1)CCO 34a_100015190746_200000210301 [0,0,0,1,1,0|1,0,0]=3 11063 B10R1.1 CN1CCN(CC1)CCO 2230a_100000188432_100000211926 [0,0,0,1,1,0|2,0,0]=4 11064 B10R1.1 CN1CCN(CC1)CCO 2230a_100000210920_200000210301 [0,0,0,1,1,0|2,0,0]=4 11065 B10R1.1 CN1CCN(CC1)CCO 269982a_100000188432_100000211926 [0,0,0,1,1,0|2,0,0]=4 11066 B10R1.1 CN1CCN(CC1)CCO 269982a_100000210920_200000210301 [0,0,0,1,1,0|2,0,0]=4 11067 B10R1.1 CNCC1CCC(CC1)C 2230a_103436935547_200000210301 [0,0,0,1,1,0|2,0,0]=4 11068 B10R1.1 CNCC1CCC(CC1)C 34a_103436935547_200000210301 [0,0,0,1,1,0|2,0,0]=4 11069 B10R1.1 COCC1CCC(CC1)C 34a_100000701341_200000210301 [0,0,0,1,1,0|2,0,0]=4 11070 B10R1.1 C[C@H]1CC[C@@H](CC1)NCF 34a_100020625639_100015361967 [0,0,0,1,1,0|2,0,0]=4 11071 B10R1.1 OCCN1CCC(CC1)F 2230a_100015193889_100000211926 [0,0,0,1,1,0|2,0,0]=4 11072 B10R1.1 OCCN1CCC(CC1)F 269982a_100015193889_100000211926 [0,0,0,1,1,0|2,0,0]=4 11073 B10R1.1 OCCN1CCC(CC1)F 34a_100015193889_100000211926 [0,0,0,1,1,0|2,0,0]=4 11074 B10R1.1 OCCN1CCC(CC1)O 2230a_100025773856_100000211926 [0,0,0,1,1,0|2,0,0]=4 11075 B10R1.1 OCCN1CCC(CC1)O 269982a_100025773856_100000211926 [0,0,0,1,1,0|2,0,0]=4 11076 B10R1.1 [13CH3]N1CCC(CC1)CCO 2230a_100015190746_200025704644 [0,0,0,1,1,0|1,0,0]=3 11077 B10R1.1 [13CH3]N1CCC(CC1)CCO 269982a_100015190746_200025704644 [0,0,0,1,1,0|1,0,0]=3 11078 B10R1.1 [13CH3]N1CCC(CC1)CCO 34a_100015190746_200025704644 [0,0,0,1,1,0|1,0,0]=3 11079 B10R1.1 [13CH3]N1CCN(CC1)CCO 2230a_100000210920_200025704644 [0,0,0,1,1,0|2,0,0]=4 11080 B10R1.1 [13CH3]N1CCN(CC1)CCO 269982a_100000210920_200025704644 [0,0,0,1,1,0|2,0,0]=4 11081 B10R1.30 CC1CCC(C(C1)O[13CH3])C 34a_100011217446_200025704644 [0,0,0,1,1,0|2,0,0]=4 11082 B10R1.30 CC1CCC(C(C1)O[13CH3])C 7a_100011217446_200025704644 [0,0,0,1,1,0|2,0,0]=4 11083 B10R1.30 CNC1CC(CCC1C)C 269862a_106832991636_100000034887 [0,0,0,1,1,0|2,0,0]=4 11084 B10R1.30 CNC1CC(CCC1C)C 270004a_106832991635_100000034887 [0,0,0,1,1,0|2,0,0]=4 11085 B10R1.30 COC1CC(CCC1C)C 34a_100011217446_200000210301 [0,0,0,1,1,0|2,0,0]=4 11086 B10R1.30 COC1CC(CCC1C)C 7a_100011217446_200000210301 [0,0,0,1,1,0|2,0,0]=4 11087 B10R1.43 CC1CCC(N1CF)(C)C 269982a_100015204717_100015361967 [0,0,0,1,1,0|2,0,0]=4 11088 B10R1.43 CC1CCC(N1CF)(C)C 34a_100015204717_100015361967 [0,0,0,1,1,0|2,0,0]=4 11089 B10R1.43 CCN1C(CCC1(C)C)C 2230a_100015204717_100000210202 [0,0,0,1,1,0|2,0,0]=4 11090 B10R1.43 CCN1C(CCC1(C)C)C 269982a_100015204717_100000204670 [0,0,0,1,1,0|2,0,0]=4 11091 B10R1.43 CCN1C(CCC1(C)C)C 34a_100015204717_100000210202 [0,0,0,1,1,0|2,0,0]=4 11092 B10R1.82 CC(C)CCN1CC(C1)C 2230a_100000702820_100000210312 [0,0,0,1,1,0|2,0,0]=4 11093 B10R1.82 CC(C)CCN1CC(C1)C 269982a_100000702820_100000210312 [0,0,0,1,1,0|2,0,0]=4 11094 B10R1.82 CC(C)CCN1CC(C1)C 34a_100000702820_100000210312 [0,0,0,1,1,0|2,0,0]=4 11095 B10R1.82 CC(C)CCN1CC(C1)F 2230a_100000690557_100000210312 [0,0,0,1,1,0|2,0,0]=4 11096 B10R1.82 CC(C)CCN1CC(C1)F 269982a_100000690557_100000210312 [0,0,0,1,1,0|2,0,0]=4 11097 B10R1.82 CC(C)CCN1CC(C1)F 34a_100000690557_100000210312 [0,0,0,1,1,0|2,0,0]=4 11098 B10R1.82 CC(C)CCN1CC(C1)O 269982a_100000749847_100000210312 [0,0,0,1,1,0|1,0,0]=3 11099 B10R1.82 CC(C)CNC1CC(C1)F 2230a_100016993743_100000210760 [0,0,0,1,1,0|2,0,0]=4 11100 B10R1.82 CC(C)CNC1CC(C1)F 270004a_100016993743_100000210432 [0,0,0,1,1,0|2,0,0]=4 11101 B10R1.82 CC(C)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210760 [0,0,0,1,1,0|1,0,0]=3 11102 B10R1.82 CC(C)CN[C@H]1C[C@@H](C1)O 270004a_100020629032_100000210432 [0,0,0,1,1,0|1,0,0]=3 11103 B10R1.82 CC(C)NCC1CC(C1)O 2230a_100016992100_100000210206 [0,0,0,1,1,0|1,0,0]=3 11104 B10R1.82 CC(C)OCC1CC(C1)Cl 34a_100009874164_100000210206 [0,0,0,1,1,0|2,0,0]=4 11105 B10R1.82 CC(C)OCN1CC(C1)O 269982a_100000749847_100000709892 [0,0,0,1,1,0|2,0,0]=4 11106 B10R1.82 CC(O)CCN1CC(C1)O 269982a_100000749847_100012276601 [0,0,0,1,1,0|2,0,0]=4 11107 B10R1.82 CC(O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011218427 [0,0,0,1,1,0|2,0,0]=4 11108 B10R1.82 CN(C)CCN1CC(C1)O 269982a_100000749847_100000755713 [0,0,0,1,1,0|2,0,0]=4 11109 B10R1.82 C[C@@H](O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100009817552 [0,0,0,1,1,0|2,0,0]=4 11110 B10R1.93 CN(C)C1CN(C1)CCO 269982a_100000694738_100000211926 [0,0,0,1,1,0|2,0,0]=4 11111 B10R1.95 CC1(CCN(C1)CCF)C 2230a_100000764714_100011217306 [0,0,0,1,1,0|2,0,0]=4 11112 B10R1.95 CC1(CCN(C1)CCF)C 269982a_100000764714_100011217306 [0,0,0,1,1,0|2,0,0]=4 11113 B10R1.95 CC1(CCN(C1)CCO)C 2230a_100000764714_100000211926 [0,0,0,1,1,0|1,0,0]=3 11114 B10R1.95 CC1(CCN(C1)CCO)C 269982a_100000764714_100000211926 [0,0,0,1,1,0|1,0,0]=3 11115 B10R1.95 CC1(CCN(C1)CCO)O 2230a_100000718628_100000211926 [0,0,0,1,1,0|2,0,0]=4 11116 B10R1.95 CC1(CCN(C1)CCO)O 269982a_100000718628_100000211926 [0,0,0,1,1,0|2,0,0]=4 11117 B10R1.95 CCCN1CCC(C1)(C)C 2230a_100000764714_100000210303 [0,0,0,1,1,0|2,0,0]=4 11118 B10R1.95 CCCN1CCC(C1)(C)C 269982a_100000764714_100000210303 [0,0,0,1,1,0|2,0,0]=4 11119 B10R1.95 CCNC1CCC(C1)(C)C 270004a_100015525214_100000759959 [0,0,0,1,1,0|2,0,0]=4 11120 B10R1.113 CC(C)C1CN(CCO1)C 2230a_100000697742_200000210301 [0,0,0,1,1,0|1,0,0]=3 11121 B10R1.113 CC(C)C1CN(CCO1)C 269982a_100000697742_200000210301 [0,0,0,1,1,0|1,0,0]=3 11122 B10R1.113 CC(C)C1CN(CCO1)C 34a_100000697742_200000210301 [0,0,0,1,1,0|1,0,0]=3 11123 B10R1.113 CC(C)C1CN(CCO1)[13CH3] 2230a_100000697742_200025704644 [0,0,0,1,1,0|1,0,0]=3 11124 B10R1.113 CC(C)C1CN(CCO1)[13CH3] 269982a_100000697742_200025704644 [0,0,0,1,1,0|1,0,0]=3 11125 B10R1.113 CC(C)C1CN(CCO1)[13CH3] 34a_100000697742_200025704644 [0,0,0,1,1,0|1,0,0]=3 11126 B10R1.113 CC(C)N1CCC[C@@H](C1)C 2230a_100000717927_100000210206 [0,0,0,1,1,0|2,0,0]=4 11127 B10R1.113 CC(C)N1CCC[C@@H](C1)C 269982a_100000717927_100000210206 [0,0,0,1,1,0|2,0,0]=4 11128 B10R1.113 CC(C)N1CCC[C@@H](C1)C 34a_100000717927_100000210206 [0,0,0,1,1,0|2,0,0]=4 11129 B10R1.113 CC1CCCC(C1)N(C)C 270004a_100102631434_100000183594 [0,0,0,1,1,0|2,0,0]=4 11130 B10R1.140 CC(CCO)N1CC(C1)F 2230a_100000690557_100009893172 [0,0,0,1,1,0|2,0,0]=4 11131 B10R1.140 CC(CCO)N1CC(C1)F 269982a_100000690557_100009893172 [0,0,0,1,1,0|2,0,0]=4 11132 B10R1.140 CC(CCO)N1CC(C1)F 34a_100000690557_100009893172 [0,0,0,1,1,0|2,0,0]=4 11133 B10R1.140 CC(CCO)N1CC(C1)O 269982a_100000749847_100009893172 [0,0,0,1,1,0|2,0,0]=4 11134 B10R1.140 CC1CC(C1)C(=O)CCO 1458a_100000686124_100000211926 [0,0,0,1,1,0|1,0,1]=4 11135 B10R1.140 CC1CN(C1)C(C)CCO 2230a_100000702820_100009893172 [0,0,0,1,1,0|1,0,0]=3 11136 B10R1.140 CC1CN(C1)C(C)CCO 269982a_100000702820_100009893172 [0,0,0,1,1,0|1,0,0]=3 11137 B10R1.140 CC1CN(C1)C(C)CCO 34a_100000702820_100009893172 [0,0,0,1,1,0|1,0,0]=3 11138 B10R1.140 CCCC(C)N1CC(C1)C 2230a_100000702820_100000766640 [0,0,0,1,1,0|2,0,0]=4 11139 B10R1.140 CCCC(C)N1CC(C1)C 269982a_100000702820_100000766640 [0,0,0,1,1,0|2,0,0]=4 11140 B10R1.140 CCCC(C)N1CC(C1)C 270004a_100000702820_100000211909 [0,0,0,1,1,0|2,0,0]=4 11141 B10R1.140 CCCC(C)N1CC(C1)C 34a_100000702820_100000766640 [0,0,0,1,1,0|2,0,0]=4 11142 B10R1.211 CC(C)CCC(=O)C1CO1 1458a_100000701028_100000210312 [0,0,0,1,1,0|1,0,1]=4 11143 B10R1.211 CC(C)CCN(C)C1CC1 2230a_100000226674_100000210312 [0,0,0,1,1,0|2,0,0]=4 11144 B10R1.211 CC(C)CCN(C)C1CC1 2230a_100000737065_200000210301 [0,0,0,1,1,0|2,0,0]=4 11145 B10R1.211 CC(C)CCN(C)C1CC1 269982a_100000226674_100000210312 [0,0,0,1,1,0|2,0,0]=4 11146 B10R1.211 CC(C)CCN(C)C1CC1 269982a_100000737065_200000210301 [0,0,0,1,1,0|2,0,0]=4 11147 B10R1.211 CC(C)CCN(C)C1CC1 269982a_100000742789_100000211595 [0,0,0,1,1,0|2,0,0]=4 11148 B10R1.211 CC(C)CCN([13CH3])C1CC1 2230a_100000737065_200025704644 [0,0,0,1,1,0|2,0,0]=4 11149 B10R1.211 CC(C)CCN([13CH3])C1CC1 269982a_100000737065_200025704644 [0,0,0,1,1,0|2,0,0]=4 11150 B10R1.211 CC(C)CNC(C)C1CC1 2230a_100000700016_100000210760 [0,0,0,1,1,0|2,0,0]=4 11151 B10R1.211 CC(C)CNC(C)C1CC1 269862a_100000210953_100000210639 [0,0,0,1,1,0|2,0,0]=4 11152 B10R1.211 CC(C)CNC(C)C1CC1 270004a_100000700016_100000210432 [0,0,0,1,1,0|2,0,0]=4 11153 B10R1.211 CC(C)CNC(C)C1CC1 34a_100000700016_100000210624 [0,0,0,1,1,0|2,0,0]=4 11154 B10R1.211 CC(C)CNC(C)C1CO1 270004a_100000210953_100000031964 [0,0,0,1,1,0|1,0,0]=3 11155 B10R1.211 CC(C)COC(C)C1CC1 34a_100000744524_100000210624 [0,0,0,1,1,0|2,0,0]=4 11156 B10R1.211 CC(C)COC(C)C1CC1 7a_100000744524_100000210760 [0,0,0,1,1,0|2,0,0]=4 11157 B10R1.211 CC(O)CNC(C)C1CO1 270004a_100000210904_100000031964 [0,0,0,1,1,0|2,0,0]=4 11158 B10R1.353 CC(C)CNC1(CCC1)C 2230a_100000692455_100000210760 [0,0,0,1,1,0|2,0,0]=4 11159 B10R1.353 CC(C)CNC1(CCC1)C 270004a_100000692455_100000210432 [0,0,0,1,1,0|2,0,0]=4 11160 B10R1.353 CC(C)CNC1(CCC1)C 34a_100000692455_100000210624 [0,0,0,1,1,0|2,0,0]=4 11161 B10R1.353 CC(C)COC1(CCC1)C 34a_100000759064_100000210624 [0,0,0,1,1,0|2,0,0]=4 11162 B10R1.353 CC(C)COC1(CCC1)C 7a_100000759064_100000210760 [0,0,0,1,1,0|2,0,0]=4 11163 B10R1.353 CC(C)NCC1(CCC1)C 2230a_100000706607_100000210206 [0,0,0,1,1,0|2,0,0]=4 11164 B10R1.353 CC(C)NCC1(CCC1)C 2230a_100138425928_100000726658 [0,0,0,1,1,0|2,0,0]=4 11165 B10R1.353 CC(C)NCC1(CCC1)C 34a_100138425928_100000726658 [0,0,0,1,1,0|2,0,0]=4 11166 B10R1.353 CC(C)OCC1(CCC1)C 34a_100000212225_100000726658 [0,0,0,1,1,0|2,0,0]=4 11167 B10R1.353 CC(C)SCC1(CCC1)C 62a_100000210206_100000726658 [0,0,0,1,1,0|2,0,0]=4 11168 B10R1.353 CC(C)SCC1(CCC1)C 62a_100000726658_100000210206 [0,0,0,1,1,0|2,0,0]=4 11169 B10R1.400 CC1(C[C@@H]1C(=O)CCO)C 1458a_100000692687_100000211926 [0,0,0,1,1,0|1,0,1]=4 11170 B12R1.17 CC(CC#N)N1CCC[C@@H](C1)C 2230a_100000717927_100009813641 [0,0,0,1,0,1|1,0,1]=4 11171 B12R1.17 CC(CC#N)N1CCC[C@@H](C1)C 269982a_100000717927_100009813641 [0,0,0,1,0,1|1,0,1]=4 11172 B12R1.17 CC(CCO)N1CCCC(C1)F 2230a_100000697950_100009893172 [0,0,0,1,0,1|1,0,0]=3 11173 B12R1.17 CC(CCO)N1CCCC(C1)F 269982a_100000697950_100009893172 [0,0,0,1,0,1|1,0,0]=3 11174 B12R1.17 CC(CCO)N1CCCC(C1)F 34a_100000697950_100009893172 [0,0,0,1,0,1|1,0,0]=3 11175 B12R1.17 CC(CCO)N1CCCC(C1)O 2230a_100000211013_100009893172 [0,0,0,1,0,1|1,0,0]=3 11176 B12R1.17 CC(CCO)N1CCCC(C1)O 269982a_100000211013_100009893172 [0,0,0,1,0,1|1,0,0]=3 11177 B12R1.17 CC(CCO)N1CCC[C@@H](C1)C 2230a_100000717927_100009893172 [0,0,0,1,0,1|0,0,0]=2 11178 B12R1.17 CC(CCO)N1CCC[C@@H](C1)C 269982a_100000717927_100009893172 [0,0,0,1,0,1|0,0,0]=2 11179 B12R1.17 CC(CCO)N1CCC[C@@H](C1)C 34a_100000717927_100009893172 [0,0,0,1,0,1|0,0,0]=2 11180 B12R1.17 CC(CCO)N1CCOC(C1)O 2230a_100000688207_100009893172 [0,0,0,1,0,1|2,0,0]=4 11181 B12R1.17 CC(CCO)N1CCOC(C1)O 269982a_100000688207_100009893172 [0,0,0,1,0,1|2,0,0]=4 11182 B12R1.17 CC1=CCCN(C1)C(C)CCO 2230a_100000725631_100009893172 [0,0,0,1,0,1|0,0,2]=4 11183 B12R1.17 CC1=CCCN(C1)C(C)CCO 269982a_100000725631_100009893172 [0,0,0,1,0,1|0,0,2]=4 11184 B12R1.17 CC1=CCCN(C1)C(C)CCO 34a_100000725631_100009893172 [0,0,0,1,0,1|0,0,2]=4 11185 B12R1.17 CC1CC(CCO1)N(C)CCO 270004a_100000210263_100000755752 [0,0,0,1,0,1|1,0,0]=3 11186 B12R1.17 CC1CCCC(C1)C(=O)CCO 1458a_100011215569_100000211926 [0,0,0,1,0,1|1,0,1]=4 11187 B12R1.17 CC1CCCC(C1)N(C)CCO 270004a_100000210263_100000183594 [0,0,0,1,0,1|1,0,0]=3 11188 B12R1.17 CC1CCCN(C1)C(C)CO[13CH3] 34a_100011934826_200025704644 [0,0,0,1,0,1|2,0,0]=4 11189 B12R1.17 CC1CCCN(C1)C(C)CO[13CH3] 7a_100011934826_200025704644 [0,0,0,1,0,1|2,0,0]=4 11190 B12R1.17 CC1CN(CCO1)C(C)CCO 2230a_100000729577_100009893172 [0,0,0,1,0,1|1,0,0]=3 11191 B12R1.17 CC1CN(CCO1)C(C)CCO 269982a_100000729577_100009893172 [0,0,0,1,0,1|1,0,0]=3 11192 B12R1.17 CC1CN(CCO1)C(C)CCO 34a_100000729577_100009893172 [0,0,0,1,0,1|1,0,0]=3 11193 B12R1.17 CCCC(C)N1CCCC(C1)F 2230a_100000697950_100000766640 [0,0,0,1,0,1|2,0,0]=4 11194 B12R1.17 CCCC(C)N1CCCC(C1)F 269982a_100000697950_100000766640 [0,0,0,1,0,1|2,0,0]=4 11195 B12R1.17 CCCC(C)N1CCCC(C1)F 270004a_100000697950_100000211909 [0,0,0,1,0,1|2,0,0]=4 11196 B12R1.17 CCCC(C)N1CCCC(C1)F 34a_100000697950_100000766640 [0,0,0,1,0,1|2,0,0]=4 11197 B12R1.17 CCCC(C)N1CCCC(C1)O 2230a_100000211013_100000766640 [0,0,0,1,0,1|2,0,0]=4 11198 B12R1.17 CCCC(C)N1CCCC(C1)O 269982a_100000211013_100000766640 [0,0,0,1,0,1|2,0,0]=4 11199 B12R1.17 CCCC(C)N1CCCC(C1)O 270004a_100000211013_100000211909 [0,0,0,1,0,1|2,0,0]=4 11200 B12R1.17 CCCC(C)N1CCC[C@@H](C1)C 2230a_100000717927_100000766640 [0,0,0,1,0,1|1,0,0]=3 11201 B12R1.17 CCCC(C)N1CCC[C@@H](C1)C 269982a_100000717927_100000766640 [0,0,0,1,0,1|1,0,0]=3 11202 B12R1.17 CCCC(C)N1CCC[C@@H](C1)C 270004a_100000717927_100000211909 [0,0,0,1,0,1|1,0,0]=3 11203 B12R1.17 CCCC(C)N1CCC[C@@H](C1)C 34a_100000717927_100000766640 [0,0,0,1,0,1|1,0,0]=3 11204 B12R1.17 CCCC(C)N1CCOC(C1)C 2230a_100000729577_100000766640 [0,0,0,1,0,1|2,0,0]=4 11205 B12R1.17 CCCC(C)N1CCOC(C1)C 269982a_100000729577_100000766640 [0,0,0,1,0,1|2,0,0]=4 11206 B12R1.17 CCCC(C)N1CCOC(C1)C 270004a_100000729577_100000211909 [0,0,0,1,0,1|2,0,0]=4 11207 B12R1.17 CCCC(C)N1CCOC(C1)C 34a_100000729577_100000766640 [0,0,0,1,0,1|2,0,0]=4 11208 B12R1.17 CCCN(C)C1CCCC(C1)C 2230a_100015187790_200000210301 [0,0,0,1,0,1|2,0,0]=4 11209 B12R1.17 CCCN(C)C1CCCC(C1)C 269982a_100015187790_200000210301 [0,0,0,1,0,1|2,0,0]=4 11210 B12R1.17 CCCN(C)C1CCCC(C1)C 270004a_100000747261_100000183594 [0,0,0,1,0,1|2,0,0]=4 11211 B12R1.17 CCCN(C)C1CCCC(C1)C 34a_100015187790_200000210301 [0,0,0,1,0,1|2,0,0]=4 11212 B12R1.17 CCCN(C)C1CCN[C@@H](C1)C 270004a_100000747261_100016994030 [0,0,0,1,0,1|2,0,0]=4 11213 B12R1.17 CCCN(C)C1CCOC(C1)C 270004a_100000747261_100000755752 [0,0,0,1,0,1|2,0,0]=4 11214 B12R1.17 CCCN([13CH3])C1CCCC(C1)C 2230a_100015187790_200025704644 [0,0,0,1,0,1|2,0,0]=4 11215 B12R1.17 CCCN([13CH3])C1CCCC(C1)C 269982a_100015187790_200025704644 [0,0,0,1,0,1|2,0,0]=4 11216 B12R1.17 CCCN([13CH3])C1CCCC(C1)C 34a_100015187790_200025704644 [0,0,0,1,0,1|2,0,0]=4 11217 B12R1.17 CN(CCO)C1CCCC(C1)O 270004a_100000210263_100012613340 [0,0,0,1,0,1|2,0,0]=4 11218 B12R1.17 COCC(C)N1CCCC(C1)C 34a_100011934826_200000210301 [0,0,0,1,0,1|2,0,0]=4 11219 B12R1.17 COCC(C)N1CCCC(C1)C 7a_100011934826_200000210301 [0,0,0,1,0,1|2,0,0]=4 11220 B12R1.17 COCC(C)N1CCC[C@@H](C1)C 2230a_100000717927_100000765312 [0,0,0,1,0,1|2,0,0]=4 11221 B12R1.17 COCC(C)N1CCC[C@@H](C1)C 269982a_100000717927_100000765312 [0,0,0,1,0,1|2,0,0]=4 11222 B12R1.17 COCC(C)N1CCC[C@@H](C1)C 270004a_100000717927_100000749346 [0,0,0,1,0,1|2,0,0]=4 11223 B12R1.17 COCC(C)N1CCC[C@@H](C1)C 34a_100000717927_100000765312 [0,0,0,1,0,1|2,0,0]=4 11224 B12R1.17 CSCC(C)N1CCC[C@@H](C1)C 270004a_100000717927_100011216314 [0,0,0,1,0,1|2,0,0]=4 11225 B12R1.17 C[C@@H]1CC(CCN1)N(C)CCO 270004a_100000210263_100016994030 [0,0,0,1,0,1|1,0,0]=3 11226 B12R1.17 C[C@H]1CCCN(C1)C(=O)CCO 240690a_100000717927_100011216618 [0,0,0,1,0,1|1,0,1]=4 11227 B12R1.31 CC(CCO)N[C@H]1CC[C@H](C1)O 2230a_100015195300_100009893172 [0,0,0,1,0,1|1,0,0]=3 11228 B12R1.31 CC(CCO)OC1CCC(=O)C1 34a_100012614533_100009893172 [0,0,0,1,0,1|1,0,1]=4 11229 B12R1.31 CC(CCO)SC1CCN(C1)C 62a_100009893172_200012183744 [0,0,0,1,0,1|1,0,0]=3 11230 B12R1.31 CC1CCC(C1)N[C@H](C)CCO 270004a_100000706166_100011215218 [0,0,0,1,0,1|0,0,0]=2 11231 B12R1.31 CC1CCC(C1)OC(C)CCO 34a_100000698185_100009893172 [0,0,0,1,0,1|0,0,0]=2 11232 B12R1.31 CCCC(C)CN1CCC(C1)O 2230a_100011215560_100011216630 [0,0,0,1,0,1|2,0,0]=4 11233 B12R1.31 CCCC(C)CN1CCC(C1)O 269982a_100011215560_100011216630 [0,0,0,1,0,1|2,0,0]=4 11234 B12R1.31 CCCC(C)CN1CCC(C1)O 270004a_100011215560_100000243154 [0,0,0,1,0,1|2,0,0]=4 11235 B12R1.31 CCCC(C)CN1CC[C@@H](C1)F 2230a_100015203821_100011216630 [0,0,0,1,0,1|2,0,0]=4 11236 B12R1.31 CCCC(C)CN1CC[C@@H](C1)F 269982a_100015203821_100011216630 [0,0,0,1,0,1|2,0,0]=4 11237 B12R1.31 CCCC(C)CN1CC[C@@H](C1)F 270004a_100015203821_100000243154 [0,0,0,1,0,1|2,0,0]=4 11238 B12R1.31 CCCC(C)CN1CC[C@@H](C1)F 34a_100015203821_100011216630 [0,0,0,1,0,1|2,0,0]=4 11239 B12R1.31 CCCC(C)CN1CC[C@H](C1)C 2230a_100016987628_100011216630 [0,0,0,1,0,1|1,0,0]=3 11240 B12R1.31 CCCC(C)CN1CC[C@H](C1)C 269982a_100016987628_100011216630 [0,0,0,1,0,1|1,0,0]=3 11241 B12R1.31 CCCC(C)CN1CC[C@H](C1)C 270004a_100016987628_100000243154 [0,0,0,1,0,1|1,0,0]=3 11242 B12R1.31 CCCC(C)CN1CC[C@H](C1)C 34a_100016987628_100011216630 [0,0,0,1,0,1|1,0,0]=3 11243 B12R1.31 CCCC(C)NC1CCC(C1)C 270004a_100000741246_100011215218 [0,0,0,1,0,1|1,0,0]=3 11244 B12R1.31 CCCC(C)NC1CCC(C1)O 270004a_100000741246_100012614533 [0,0,0,1,0,1|2,0,0]=4 11245 B12R1.31 CCCC(C)NC1CCN(C1)C 270004a_100000744687_100000211909 [0,0,0,1,0,1|2,0,0]=4 11246 B12R1.31 CCCC(C)N[C@H]1CC[C@H](C1)O 2230a_100015195300_100000766640 [0,0,0,1,0,1|2,0,0]=4 11247 B12R1.31 CCCC(C)N[C@H]1CC[C@H](C1)O 270004a_100015195300_100000211909 [0,0,0,1,0,1|2,0,0]=4 11248 B12R1.31 CCCC(C)OC1CCC(C1)C 34a_100000698185_100000766640 [0,0,0,1,0,1|1,0,0]=3 11249 B12R1.31 CCCC(C)OC1CCN(C1)C 7a_100000764384_200012183744 [0,0,0,1,0,1|2,0,0]=4 11250 B12R1.31 CCCC(C)SC1CCN(C1)C 62a_100000766640_200012183744 [0,0,0,1,0,1|2,0,0]=4 11251 B12R1.31 CN(CCO)CC1CCN(C1)C 269982a_100000210263_200000690779 [0,0,0,1,0,1|2,0,0]=4 11252 B12R1.31 COCC(C)OC1CCC(C1)C 34a_100000698185_100000765312 [0,0,0,1,0,1|2,0,0]=4 11253 B12R1.31 COC[C@@H](C)NC1CCC(C1)C 270004a_100000764878_100011215218 [0,0,0,1,0,1|2,0,0]=4 11254 B12R1.31 C[C@H](CCO)NC1CCC(C1)O 270004a_100000706166_100012614533 [0,0,0,1,0,1|1,0,0]=3 11255 B12R1.130 CC(C)CCCN1CCC[C@@H]1C 2230a_100020605311_100011214892 [0,0,0,1,0,1|1,0,0]=3 11256 B12R1.130 CC(C)CCCN1CCC[C@@H]1C 269982a_100020605311_100011214892 [0,0,0,1,0,1|1,0,0]=3 11257 B12R1.130 CC(C)CCCN1CCC[C@H]1C 2230a_100015189458_100011214892 [0,0,0,1,0,1|1,0,0]=3 11258 B12R1.130 CC(C)CCCN1CCC[C@H]1C 269982a_100015189458_100011214892 [0,0,0,1,0,1|1,0,0]=3 11259 B12R1.130 CC(C)CCCN1CCC[C@H]1C 34a_100015189458_100011214892 [0,0,0,1,0,1|1,0,0]=3 11260 B12R1.130 CC(C)CCCN1CCSC1C 2230a_200011216479_100011214892 [0,0,0,1,0,1|2,0,0]=4 11261 B12R1.130 CC(C)CCCN1CCSC1C 269982a_200011216479_100011214892 [0,0,0,1,0,1|2,0,0]=4 11262 B12R1.130 CC(C)CCCN1CCSC1C 34a_200011216479_100011214892 [0,0,0,1,0,1|2,0,0]=4 11263 B12R1.130 CC(C)CCNC1CCCC1C 269862a_100000210545_100000752053 [0,0,0,1,0,1|1,0,0]=3 11264 B12R1.130 CC(C)CCNC1CCOC1C 270004a_100000210545_100000691750 [0,0,0,1,0,1|2,0,0]=4 11265 B12R1.130 CC(C)CCN[C@H]1CCC[C@@H]1O 269862a_100000748460_100000185833 [0,0,0,1,0,1|2,0,0]=4 11266 B12R1.130 CC(C)CCOC1CCCC1C 34a_100011216460_100000210312 [0,0,0,1,0,1|1,0,0]=3 11267 B12R1.130 CC(C)CCOC1CCCC1C 7a_100011216460_100000210626 [0,0,0,1,0,1|1,0,0]=3 11268 B12R1.130 CC(C)CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210312 [0,0,0,1,0,1|2,0,0]=4 11269 B12R1.130 CC(C)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210312 [0,0,0,1,0,1|2,0,0]=4 11270 B12R1.130 CC(C)CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210312 [0,0,0,1,0,1|2,0,0]=4 11271 B12R1.130 CC(C)CCS[C@@H]1CCC[C@H]1O 62a_100000210312_200016002552 [0,0,0,1,0,1|2,0,0]=4 11272 B12R1.130 CC(C)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210312 [0,0,0,1,0,1|2,0,0]=4 11273 B12R1.130 CC(C)CNC[C@@H]1CCCN1C 270004a_100009821018_100000210432 [0,0,0,1,0,1|2,0,0]=4 11274 B12R1.130 CC(C)COCC1CCCN1C 34a_100000743107_100000210624 [0,0,0,1,0,1|2,0,0]=4 11275 B12R1.130 CC(C)NCCC1CCCN1C 2230a_100138425928_100000005710 [0,0,0,1,0,1|2,0,0]=4 11276 B12R1.130 CC(C)NCCC1CCCN1C 34a_100138425928_100000005710 [0,0,0,1,0,1|2,0,0]=4 11277 B12R1.130 CC(C)OCCC1CCCN1C 34a_100000212225_100000005710 [0,0,0,1,0,1|2,0,0]=4 11278 B12R1.130 CC(C)OCCC1CCCN1C 34a_100011215177_100000210206 [0,0,0,1,0,1|2,0,0]=4 11279 B12R1.130 CC(C)OCCC1CCCN1C 7a_100011215177_100000210206 [0,0,0,1,0,1|2,0,0]=4 11280 B12R1.130 CC(C)OCCN1CCC[C@@H]1C 2230a_100020605311_100000211751 [0,0,0,1,0,1|2,0,0]=4 11281 B12R1.130 CC(C)OCCN1CCC[C@@H]1C 269982a_100020605311_100000211751 [0,0,0,1,0,1|2,0,0]=4 11282 B12R1.130 CC(C)OCCN1CCC[C@H]1C 2230a_100015189458_100000211751 [0,0,0,1,0,1|2,0,0]=4 11283 B12R1.130 CC(C)OCCN1CCC[C@H]1C 269982a_100015189458_100000211751 [0,0,0,1,0,1|2,0,0]=4 11284 B12R1.130 CC(C)OCCN1CCC[C@H]1C 34a_100015189458_100000211751 [0,0,0,1,0,1|2,0,0]=4 11285 B12R1.130 CC(C)OCOC1CCCC1C 34a_100011216460_100000709892 [0,0,0,1,0,1|2,0,0]=4 11286 B12R1.130 CC(C)SCCC1CCCN1C 62a_100000005710_100000210206 [0,0,0,1,0,1|2,0,0]=4 11287 B12R1.130 CC(C)SCCC1CCCN1C 62a_100000210206_100000005710 [0,0,0,1,0,1|2,0,0]=4 11288 B12R1.130 CC(C)SCCN1CCC[C@@H]1C 2230a_100020605311_100000730970 [0,0,0,1,0,1|2,0,0]=4 11289 B12R1.130 CC(C)SCCN1CCC[C@@H]1C 269982a_100020605311_100000730970 [0,0,0,1,0,1|2,0,0]=4 11290 B12R1.130 CC(C)SCCN1CCC[C@H]1C 2230a_100015189458_100000730970 [0,0,0,1,0,1|2,0,0]=4 11291 B12R1.130 CC(C)SCCN1CCC[C@H]1C 269982a_100015189458_100000730970 [0,0,0,1,0,1|2,0,0]=4 11292 B12R1.130 CC(C)SCCN1CCC[C@H]1C 34a_100015189458_100000730970 [0,0,0,1,0,1|2,0,0]=4 11293 B12R1.130 CC(O)CCCN1CCC[C@@H]1C 2230a_100020605311_200000718107 [0,0,0,1,0,1|2,0,0]=4 11294 B12R1.130 CC(O)CCCN1CCC[C@@H]1C 269982a_100020605311_200000718107 [0,0,0,1,0,1|2,0,0]=4 11295 B12R1.130 CC(O)CCCN1CCC[C@H]1C 2230a_100015189458_200000718107 [0,0,0,1,0,1|2,0,0]=4 11296 B12R1.130 CC(O)CCCN1CCC[C@H]1C 269982a_100015189458_200000718107 [0,0,0,1,0,1|2,0,0]=4 11297 B12R1.130 CC(O)CCCN1CCC[C@H]1C 34a_100015189458_200000718107 [0,0,0,1,0,1|2,0,0]=4 11298 B12R1.130 CC(O)CCNC1CCCC1C 269862a_200000755665_100000752053 [0,0,0,1,0,1|2,0,0]=4 11299 B12R1.130 CC(O)CCOC1CCCC1C 34a_100011216460_100012276601 [0,0,0,1,0,1|2,0,0]=4 11300 B12R1.130 CC(O)CCOC1CCCC1C 7a_100011216460_100012276601 [0,0,0,1,0,1|2,0,0]=4 11301 B12R1.130 CC1CCCC1NCCN(C)C 269862a_100000210585_100000752053 [0,0,0,1,0,1|2,0,0]=4 11302 B12R1.130 CC1CCCC1OCCN(C)C 7a_100011216460_100000755713 [0,0,0,1,0,1|2,0,0]=4 11303 B12R1.130 C[C@@H]1CCCN1CCCN(C)C 269982a_100015189458_100000757444 [0,0,0,1,0,1|2,0,0]=4 11304 B12R1.130 C[C@H]1CCCN1CCCN(C)C 269982a_100020605311_100000757444 [0,0,0,1,0,1|2,0,0]=4 11305 B12R1.175 CC(C)CCN1CC(C1)CC#N 269982a_206645079572_100000210312 [0,0,0,1,0,1|1,0,1]=4 11306 B12R1.175 CCOC1CN(C1)CCC(C)C 269982a_100000732654_100000210312 [0,0,0,1,0,1|2,0,0]=4 11307 B12R1.175 CCOC1CN(C1)CCC(C)C 34a_100000732654_100000210312 [0,0,0,1,0,1|2,0,0]=4 11308 B12R1.175 COCC1CC(C1)NCC(C)C 2230a_100012180050_100000210760 [0,0,0,1,0,1|2,0,0]=4 11309 B12R1.175 COCC1CC(C1)NCC(C)C 270004a_100000210953_100010371266 [0,0,0,1,0,1|2,0,0]=4 11310 B12R1.175 COCC1CC(C1)NCC(C)C 270004a_100012180050_100000210432 [0,0,0,1,0,1|2,0,0]=4 11311 B12R1.175 COCC1CN(C1)CCC(C)C 2230a_100016993750_100000210312 [0,0,0,1,0,1|2,0,0]=4 11312 B12R1.175 COCC1CN(C1)CCC(C)C 269982a_100016993750_100000210312 [0,0,0,1,0,1|2,0,0]=4 11313 B12R1.175 COCC1CN(C1)CCC(C)C 34a_100016993750_100000210312 [0,0,0,1,0,1|2,0,0]=4 11314 B12R1.182 C=C(C)CN1CCC(C1)CCO 2230a_100016987287_100000748629 [0,0,0,1,0,1|0,0,2]=4 11315 B12R1.182 C=C(C)CN1CCC(C1)CCO 269982a_100016987287_100000748629 [0,0,0,1,0,1|0,0,2]=4 11316 B12R1.182 C=C(C)CN1CCC(C1)CCO 34a_100016987287_100000748629 [0,0,0,1,0,1|0,0,2]=4 11317 B12R1.182 CC(C)CN1CCC(C1)CCO 2230a_100016987287_100000210760 [0,0,0,1,0,1|0,0,0]=2 11318 B12R1.182 CC(C)CN1CCC(C1)CCO 269982a_100016987287_100000210624 [0,0,0,1,0,1|0,0,0]=2 11319 B12R1.182 CC(C)CN1CCC(C1)CCO 270004a_100016987287_100000210432 [0,0,0,1,0,1|0,0,0]=2 11320 B12R1.182 CC(C)CN1CCC(C1)CCO 34a_100016987287_100000210624 [0,0,0,1,0,1|0,0,0]=2 11321 B12R1.182 CC(C)CN1CCC(C1)CN[13CH3] 2230a_100000687041_200025704644 [0,0,0,1,0,1|2,0,0]=4 11322 B12R1.182 CC(O)CN1CCC(C1)CCO 2230a_100016987287_100011218427 [0,0,0,1,0,1|1,0,0]=3 11323 B12R1.182 CC(O)CN1CCC(C1)CCO 269982a_100016987287_100011218427 [0,0,0,1,0,1|1,0,0]=3 11324 B12R1.182 CC(O)CN1CCC(C1)CCO 34a_100016987287_100011218427 [0,0,0,1,0,1|1,0,0]=3 11325 B12R1.182 CCO[C@H]1CCN(C1)CC(C)C 2230a_100011787710_100000210760 [0,0,0,1,0,1|2,0,0]=4 11326 B12R1.182 CCO[C@H]1CCN(C1)CC(C)C 269982a_100011787710_100000210624 [0,0,0,1,0,1|2,0,0]=4 11327 B12R1.182 CCO[C@H]1CCN(C1)CC(C)C 270004a_100011787710_100000210432 [0,0,0,1,0,1|2,0,0]=4 11328 B12R1.182 CCO[C@H]1CCN(C1)CC(C)C 34a_100011787710_100000210624 [0,0,0,1,0,1|2,0,0]=4 11329 B12R1.182 CN(C)CC1CCN(C1)CCO 2230a_200000755502_100000211926 [0,0,0,1,0,1|2,0,0]=4 11330 B12R1.182 CN(C)CC1CCN(C1)CCO 269982a_200000755502_100000211926 [0,0,0,1,0,1|2,0,0]=4 11331 B12R1.182 CNCC1CCN(C1)CC(C)C 2230a_100000687041_200000210301 [0,0,0,1,0,1|2,0,0]=4 11332 B12R1.182 COCC1CCN(C1)CC(C)C 2230a_100025706693_100000210760 [0,0,0,1,0,1|2,0,0]=4 11333 B12R1.182 COCC1CCN(C1)CC(C)C 269982a_100025706693_100000210624 [0,0,0,1,0,1|2,0,0]=4 11334 B12R1.182 COCC1CCN(C1)CC(C)C 270004a_100025706693_100000210432 [0,0,0,1,0,1|2,0,0]=4 11335 B12R1.182 COCC1CCN(C1)CC(C)C 34a_100025706693_100000210624 [0,0,0,1,0,1|2,0,0]=4 11336 B12R1.182 C[C@@H](O)CN1CCC(C1)CCO 2230a_100016987287_100009817552 [0,0,0,1,0,1|1,0,0]=3 11337 B12R1.182 C[C@@H](O)CN1CCC(C1)CCO 269982a_100016987287_100009817552 [0,0,0,1,0,1|1,0,0]=3 11338 B12R1.182 C[C@@H](O)CN1CCC(C1)CCO 34a_100016987287_100009817552 [0,0,0,1,0,1|1,0,0]=3 11339 B12R1.182 OCCC1CCN(C1)CC(F)F 2230a_100016987287_100011934356 [0,0,0,1,0,1|2,0,0]=4 11340 B12R1.182 OCCC1CCN(C1)CC(F)F 269982a_100016987287_100011934356 [0,0,0,1,0,1|2,0,0]=4 11341 B12R1.182 OCCC1CCN(C1)CC(F)F 34a_100016987287_100011934356 [0,0,0,1,0,1|2,0,0]=4 11342 B12R1.220 C=C(C)CCNCC1CC(C1)O 2230a_100016992100_100000730704 [0,0,0,1,0,1|0,0,2]=4 11343 B12R1.220 C=C1CC(C1)CNCCC(C)C 2230a_100102567296_100000210312 [0,0,0,1,0,1|1,0,1]=4 11344 B12R1.220 C=C1CC(C1)CNCCC(C)C 269862a_100102567296_100000185833 [0,0,0,1,0,1|1,0,1]=4 11345 B12R1.220 C=C1CC(C1)CNCCC(C)C 34a_100102567296_100000210312 [0,0,0,1,0,1|1,0,1]=4 11346 B12R1.220 C=C1CC(C1)COCCC(C)C 34a_100011011225_100000210312 [0,0,0,1,0,1|1,0,1]=4 11347 B12R1.220 C=C1CC(C1)NCCCC(C)C 2230a_100132301982_100011214892 [0,0,0,1,0,1|1,0,1]=4 11348 B12R1.220 CC(=CCCN[C@H]1C[C@@H](C1)O)C 2230a_100020629032_100011217483 [0,0,0,1,0,1|0,0,2]=4 11349 B12R1.220 CC(=CCNCC1CC(C1)O)C 2230a_100016992100_100000761012 [0,0,0,1,0,1|0,0,2]=4 11350 B12R1.220 CC(C)CCCCN1CC(C1)C 2230a_100000702820_100011216152 [0,0,0,1,0,1|2,0,0]=4 11351 B12R1.220 CC(C)CCCCN1CC(C1)C 269982a_100000702820_100011216152 [0,0,0,1,0,1|2,0,0]=4 11352 B12R1.220 CC(C)CCCCN1CC(C1)C 34a_100000702820_100011216152 [0,0,0,1,0,1|2,0,0]=4 11353 B12R1.220 CC(C)CCCCN1CC(C1)F 2230a_100000690557_100011216152 [0,0,0,1,0,1|2,0,0]=4 11354 B12R1.220 CC(C)CCCCN1CC(C1)F 269982a_100000690557_100011216152 [0,0,0,1,0,1|2,0,0]=4 11355 B12R1.220 CC(C)CCCCN1CC(C1)F 34a_100000690557_100011216152 [0,0,0,1,0,1|2,0,0]=4 11356 B12R1.220 CC(C)CCCCN1CC(C1)O 269982a_100000749847_100011216152 [0,0,0,1,0,1|1,0,0]=3 11357 B12R1.220 CC(C)CCCNC1CC(C1)F 2230a_100016993743_100011214892 [0,0,0,1,0,1|1,0,0]=3 11358 B12R1.220 CC(C)CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011214892 [0,0,0,1,0,1|0,0,0]=2 11359 B12R1.220 CC(C)CCCSC1CC(=O)C1 62a_100009894365_100011214892 [0,0,0,1,0,1|0,0,2]=4 11360 B12R1.220 CC(C)CCNCC1CC(C1)O 2230a_100016992100_100000210312 [0,0,0,1,0,1|0,0,0]=2 11361 B12R1.220 CC(C)CCNCC1CC(C1)O 269862a_100016992100_100000185833 [0,0,0,1,0,1|0,0,0]=2 11362 B12R1.220 CC(C)CCNCC1CN(C1)C 269862a_100000723568_100000185833 [0,0,0,1,0,1|2,0,0]=4 11363 B12R1.220 CC(C)CCOCC1CC(=O)C1 34a_100000101936_100000210312 [0,0,0,1,0,1|0,0,2]=4 11364 B12R1.220 CC(C)CCOCC1CC(=O)C1 7a_100000210254_100009874392 [0,0,0,1,0,1|0,0,2]=4 11365 B12R1.220 CC(C)CCOCC1CC(C1)Cl 34a_100009874164_100000210312 [0,0,0,1,0,1|1,0,0]=3 11366 B12R1.220 CC(C)CCSCC1CC(=O)C1 62a_100000210312_100009874392 [0,0,0,1,0,1|0,0,2]=4 11367 B12R1.220 CC(C)CCSCC1CC(=O)C1 62a_100009874392_100000210312 [0,0,0,1,0,1|0,0,2]=4 11368 B12R1.220 CC(C)OCCNC1CC(C1)F 2230a_100016993743_100000211751 [0,0,0,1,0,1|2,0,0]=4 11369 B12R1.220 CC(C)OCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000211751 [0,0,0,1,0,1|1,0,0]=3 11370 B12R1.220 CC(C)OCNCC1CC(C1)O 2230a_100016992100_100000709892 [0,0,0,1,0,1|1,0,0]=3 11371 B12R1.220 CC(C)OCOCC1CC(C1)Cl 34a_100009874164_100000709892 [0,0,0,1,0,1|2,0,0]=4 11372 B12R1.220 CC(C)SCCNC1CC(C1)F 2230a_100016993743_100000730970 [0,0,0,1,0,1|2,0,0]=4 11373 B12R1.220 CC(C)SCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000730970 [0,0,0,1,0,1|1,0,0]=3 11374 B12R1.220 CC(O)CCCNC1CC(C1)F 2230a_100016993743_200000718107 [0,0,0,1,0,1|2,0,0]=4 11375 B12R1.220 CC(O)CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_200000718107 [0,0,0,1,0,1|1,0,0]=3 11376 B12R1.220 CC(O)CCNCC1CC(C1)O 2230a_100016992100_100012276601 [0,0,0,1,0,1|1,0,0]=3 11377 B12R1.220 CC(O)CCOCC1CC(C1)Cl 34a_100009874164_100012276601 [0,0,0,1,0,1|2,0,0]=4 11378 B12R1.220 CN(C)CCCCN1CC(C1)O 269982a_100000749847_100000690147 [0,0,0,1,0,1|2,0,0]=4 11379 B12R1.226 CC(C)CCN1CCCC(C1)F 2230a_100000697950_100000210312 [0,0,0,1,0,1|2,0,0]=4 11380 B12R1.226 CC(C)CCN1CCCC(C1)F 269982a_100000697950_100000210312 [0,0,0,1,0,1|2,0,0]=4 11381 B12R1.226 CC(C)CCN1CCCC(C1)F 34a_100000697950_100000210312 [0,0,0,1,0,1|2,0,0]=4 11382 B12R1.226 CC(C)CCN1CCCC(C1)O 2230a_100000211013_100000210312 [0,0,0,1,0,1|2,0,0]=4 11383 B12R1.226 CC(C)CCN1CCCC(C1)O 269982a_100000211013_100000210312 [0,0,0,1,0,1|2,0,0]=4 11384 B12R1.226 CC(C)CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210312 [0,0,0,1,0,1|1,0,0]=3 11385 B12R1.226 CC(C)CCN1CCC[C@@H](C1)C 269982a_100000717927_100000210312 [0,0,0,1,0,1|1,0,0]=3 11386 B12R1.226 CC(C)CCN1CCC[C@@H](C1)C 34a_100000717927_100000210312 [0,0,0,1,0,1|1,0,0]=3 11387 B12R1.226 CC(C)CCN1CCOC(C1)C 2230a_100000729577_100000210312 [0,0,0,1,0,1|2,0,0]=4 11388 B12R1.226 CC(C)CCN1CCOC(C1)C 269982a_100000729577_100000210312 [0,0,0,1,0,1|2,0,0]=4 11389 B12R1.226 CC(C)CCN1CCOC(C1)C 34a_100000729577_100000210312 [0,0,0,1,0,1|2,0,0]=4 11390 B12R1.226 CC(C)CNC1CCCC(C1)C 2230a_100011194320_100000210760 [0,0,0,1,0,1|1,0,0]=3 11391 B12R1.226 CC(C)CNC1CCCC(C1)C 270004a_100000210953_100000183594 [0,0,0,1,0,1|1,0,0]=3 11392 B12R1.226 CC(C)CNC1CCCC(C1)C 270004a_100011194320_100000210432 [0,0,0,1,0,1|1,0,0]=3 11393 B12R1.226 CC(C)CNC1CCCC(C1)C 34a_100011194320_100000210624 [0,0,0,1,0,1|1,0,0]=3 11394 B12R1.226 CC(C)CNC1CCCC(C1)O 2230a_100015190357_100000210760 [0,0,0,1,0,1|2,0,0]=4 11395 B12R1.226 CC(C)CNC1CCCC(C1)O 270004a_100000210953_100012613340 [0,0,0,1,0,1|2,0,0]=4 11396 B12R1.226 CC(C)CNC1CCCC(C1)O 270004a_100015190357_100000210432 [0,0,0,1,0,1|2,0,0]=4 11397 B12R1.226 CC(C)CNC1CCN[C@@H](C1)C 270004a_100000210953_100016994030 [0,0,0,1,0,1|2,0,0]=4 11398 B12R1.226 CC(C)CNC1CCOC(C1)C 270004a_100000210953_100000755752 [0,0,0,1,0,1|2,0,0]=4 11399 B12R1.226 CC(C)CN[C@H]1CCCN(C1)C 270004a_100016992120_100000210432 [0,0,0,1,0,1|2,0,0]=4 11400 B12R1.226 CC(C)COC1CCCC(C1)C 34a_100000211399_100000210624 [0,0,0,1,0,1|1,0,0]=3 11401 B12R1.226 CC(C)COC1CCCN(C1)C 2230a_102495324529_200000210301 [0,0,0,1,0,1|2,0,0]=4 11402 B12R1.226 CC(C)COC1CCCN(C1)C 269982a_102495324529_200000210301 [0,0,0,1,0,1|2,0,0]=4 11403 B12R1.226 CC(C)COC1CCCN(C1)C 34a_102495324529_200000210301 [0,0,0,1,0,1|2,0,0]=4 11404 B12R1.226 CC(C)COC1CCCN(C1)[13CH3] 2230a_102495324529_200025704644 [0,0,0,1,0,1|2,0,0]=4 11405 B12R1.226 CC(C)COC1CCCN(C1)[13CH3] 269982a_102495324529_200025704644 [0,0,0,1,0,1|2,0,0]=4 11406 B12R1.226 CC(C)COC1CCCN(C1)[13CH3] 34a_102495324529_200025704644 [0,0,0,1,0,1|2,0,0]=4 11407 B12R1.226 CC(C)COC1CCOC(C1)C 34a_100011986385_100000210624 [0,0,0,1,0,1|2,0,0]=4 11408 B12R1.226 CC(C)COC1CCOC(C1)C 7a_100011986385_100000210760 [0,0,0,1,0,1|2,0,0]=4 11409 B12R1.226 CC(C)NCC1CCCC(C1)O 2230a_100011254705_100000210206 [0,0,0,1,0,1|2,0,0]=4 11410 B12R1.226 CC(C)NCC1CCCN(C1)C 34a_100138425928_100015183302 [0,0,0,1,0,1|2,0,0]=4 11411 B12R1.226 CC(C)OCC1CCCN(C1)C 34a_100000212225_100015183302 [0,0,0,1,0,1|2,0,0]=4 11412 B12R1.226 CC(C)OCN1CCC[C@@H](C1)C 2230a_100000717927_100000709892 [0,0,0,1,0,1|2,0,0]=4 11413 B12R1.226 CC(C)OCN1CCC[C@@H](C1)C 269982a_100000717927_100000709892 [0,0,0,1,0,1|2,0,0]=4 11414 B12R1.226 CC(C)OCN1CCC[C@@H](C1)C 34a_100000717927_100000709892 [0,0,0,1,0,1|2,0,0]=4 11415 B12R1.226 CC(C)SCC1CCCN(C1)C 62a_100000210206_100000752043 [0,0,0,1,0,1|2,0,0]=4 11416 B12R1.226 CC(C)SCC1CCCN(C1)C 62a_100000752043_100000210206 [0,0,0,1,0,1|2,0,0]=4 11417 B12R1.226 CC(O)CCN1CCC[C@@H](C1)C 2230a_100000717927_100012276601 [0,0,0,1,0,1|2,0,0]=4 11418 B12R1.226 CC(O)CCN1CCC[C@@H](C1)C 269982a_100000717927_100012276601 [0,0,0,1,0,1|2,0,0]=4 11419 B12R1.226 CC(O)CCN1CCC[C@@H](C1)C 34a_100000717927_100012276601 [0,0,0,1,0,1|2,0,0]=4 11420 B12R1.226 CC(O)CNC1CCCC(C1)C 2230a_100011194320_100011218427 [0,0,0,1,0,1|2,0,0]=4 11421 B12R1.226 CC(O)CNC1CCCC(C1)C 270004a_100000210904_100000183594 [0,0,0,1,0,1|2,0,0]=4 11422 B12R1.226 CC(O)CNC1CCCC(C1)C 34a_100011194320_100011218427 [0,0,0,1,0,1|2,0,0]=4 11423 B12R1.226 CC(O)COC1CCCC(C1)C 34a_100000211399_100011218427 [0,0,0,1,0,1|2,0,0]=4 11424 B12R1.226 CC1CCCC(C1)NC[C@@H](C)O 2230a_100011194320_100009817552 [0,0,0,1,0,1|2,0,0]=4 11425 B12R1.226 CC1CCCC(C1)NC[C@@H](C)O 34a_100011194320_100009817552 [0,0,0,1,0,1|2,0,0]=4 11426 B12R1.226 CC1CCCC(C1)OC[C@@H](C)O 34a_100000211399_100009817552 [0,0,0,1,0,1|2,0,0]=4 11427 B12R1.226 CC1CCCN(C1)CCN(C)C 2230a_100102631434_100000766211 [0,0,0,1,0,1|2,0,0]=4 11428 B12R1.226 CC1CCCN(C1)CCN(C)C 269982a_100102631434_100000766211 [0,0,0,1,0,1|2,0,0]=4 11429 B12R1.226 CC1CNCC(C1)COC(C)C 34a_200012821172_100000210206 [0,0,0,1,0,1|2,0,0]=4 11430 B12R1.226 C[C@H]1CCCN(C1)CCN(C)C 269982a_100000717927_100000755713 [0,0,0,1,0,1|2,0,0]=4 11431 B12R1.233 CC(C)CN1CCN(C[C@@H]1C)C 2230a_100012002466_100000210760 [0,0,0,1,0,1|2,0,0]=4 11432 B12R1.233 CC(C)CN1CCN(C[C@@H]1C)C 269982a_100012002466_100000210624 [0,0,0,1,0,1|2,0,0]=4 11433 B12R1.233 CC1CCC(C(C1)C)OC(C)C 34a_100011539931_100000210206 [0,0,0,1,0,1|1,0,0]=3 11434 B12R1.233 CC1CCC(C(C1)C)OC(C)C 7a_100011539931_100000210206 [0,0,0,1,0,1|1,0,0]=3 11435 B12R1.255 C=C(C)CCNCC1CCOC1 2230a_100000737293_100000730704 [0,0,0,1,0,1|0,0,2]=4 11436 B12R1.255 C=C(C)CCNCC1CCOC1 34a_100000737293_100000730704 [0,0,0,1,0,1|0,0,2]=4 11437 B12R1.255 C=C(C)CCOCC1CCOC1 34a_100000740260_100000730704 [0,0,0,1,0,1|0,0,2]=4 11438 B12R1.255 C=C(C)CCOCC1CCOC1 34a_100000764851_100011261433 [0,0,0,1,0,1|0,0,2]=4 11439 B12R1.255 C=C(C)CCSCC1CCOC1 62a_100000702531_100000730704 [0,0,0,1,0,1|0,0,2]=4 11440 B12R1.255 C=C(C)CCSCC1CCOC1 62a_100000730704_100000702531 [0,0,0,1,0,1|0,0,2]=4 11441 B12R1.255 C=C(C)COCCC1CCOC1 34a_100011879284_100000748629 [0,0,0,1,0,1|0,0,2]=4 11442 B12R1.255 CC(=CCCN[C@@H]1CCOC1)C 2230a_200015188469_100011217483 [0,0,0,1,0,1|0,0,2]=4 11443 B12R1.255 CC(=CCCN[C@H]1CCOC1)C 2230a_100015188467_100011217483 [0,0,0,1,0,1|0,0,2]=4 11444 B12R1.255 CC(=CCCN[C@H]1CCOC1)C 34a_100015188467_100011217483 [0,0,0,1,0,1|0,0,2]=4 11445 B12R1.255 CC(=CCCO[C@H]1CCOC1)C 34a_100000717292_100011217483 [0,0,0,1,0,1|0,0,2]=4 11446 B12R1.255 CC(=CCCSC1CCOC1)C 62a_100011217483_100000690089 [0,0,0,1,0,1|0,0,2]=4 11447 B12R1.255 CC(=CCNCC1CCOC1)C 2230a_100000737293_100000761012 [0,0,0,1,0,1|0,0,2]=4 11448 B12R1.255 CC(=CCNCC1CCOC1)C 34a_100000718196_100011261433 [0,0,0,1,0,1|0,0,2]=4 11449 B12R1.255 CC(=CCNCC1CCOC1)C 34a_100000737293_100000761012 [0,0,0,1,0,1|0,0,2]=4 11450 B12R1.255 CC(=CCOCC1CCOC1)C 34a_100000740260_100000761012 [0,0,0,1,0,1|0,0,2]=4 11451 B12R1.255 CC(=CCOCC1CCOC1)C 34a_100000753907_100011261433 [0,0,0,1,0,1|0,0,2]=4 11452 B12R1.255 CC(=CCSCC1CCOC1)C 62a_100000702531_100000761012 [0,0,0,1,0,1|0,0,2]=4 11453 B12R1.255 CC(=CCSCC1CCOC1)C 62a_100000761012_100000702531 [0,0,0,1,0,1|0,0,2]=4 11454 B12R1.255 CC(=O)CCCN[C@H]1CCOC1 34a_100015188467_100000685027 [0,0,0,1,0,1|1,0,1]=4 11455 B12R1.255 CC(=O)CCCOC1CCOC1 34a_100000759063_100000690089 [0,0,0,1,0,1|1,0,1]=4 11456 B12R1.255 CC(=O)CCCOC1CCOC1 7a_100000759063_100000731011 [0,0,0,1,0,1|1,0,1]=4 11457 B12R1.255 CC(=O)CCCO[C@H]1CCOC1 34a_100000717292_100000685027 [0,0,0,1,0,1|1,0,1]=4 11458 B12R1.255 CC(=O)CCCSC1CCOC1 62a_100011215641_100000690089 [0,0,0,1,0,1|1,0,1]=4 11459 B12R1.255 CC(=O)CCOCC1CCOC1 34a_100000759926_100011261433 [0,0,0,1,0,1|1,0,1]=4 11460 B12R1.255 CC(=O)CCOCC1CCOC1 7a_100000759926_100000702531 [0,0,0,1,0,1|1,0,1]=4 11461 B12R1.255 CC(=O)CCSCC1CCOC1 62a_100000053229_100000702531 [0,0,0,1,0,1|1,0,1]=4 11462 B12R1.255 CC(=O)CCSCC1CCOC1 62a_100000702531_100000053229 [0,0,0,1,0,1|1,0,1]=4 11463 B12R1.255 CC(Br)CCOCC1CCCC1 34a_100009893172_100000740388 [0,0,0,1,0,1|2,0,0]=4 11464 B12R1.255 CC(Br)CCOCC1CCOC1 34a_100009893172_100011261433 [0,0,0,1,0,1|1,0,0]=3 11465 B12R1.255 CC(Br)COCCC1CCCC1 34a_100012180447_100000760354 [0,0,0,1,0,1|2,0,0]=4 11466 B12R1.255 CC(C)CC=NNC1CCOC1 4a_100000690549_100000185833 [0,0,0,1,0,1|1,0,1]=4 11467 B12R1.255 CC(C)CCCCN1CCCC1 2230a_100000188435_100011216152 [0,0,0,1,0,1|2,0,0]=4 11468 B12R1.255 CC(C)CCCCN1CCCC1 269982a_100000188435_100011216152 [0,0,0,1,0,1|2,0,0]=4 11469 B12R1.255 CC(C)CCCCN1CCSC1 2230a_100011215254_100011216152 [0,0,0,1,0,1|1,1,0]=4 11470 B12R1.255 CC(C)CCCCN1CCSC1 269982a_100011215254_100011216152 [0,0,0,1,0,1|1,1,0]=4 11471 B12R1.255 CC(C)CCCNC1CC=CC1 2230a_100015188752_100011214892 [0,0,0,1,0,1|1,0,1]=4 11472 B12R1.255 CC(C)CCCNC1CCCC1 2230a_100000211070_100011214892 [0,0,0,1,0,1|1,0,0]=3 11473 B12R1.255 CC(C)CCCNC1CCCC1 2230a_200000737386_100000179811 [0,0,0,1,0,1|1,0,0]=3 11474 B12R1.255 CC(C)CCCNC1CCCC1 270004a_200000737386_100000210133 [0,0,0,1,0,1|1,0,0]=3 11475 B12R1.255 CC(C)CCCNC1CCCC1 34a_100000211070_100011214892 [0,0,0,1,0,1|1,0,0]=3 11476 B12R1.255 CC(C)CCCNC1CCCC1 34a_200000737386_100000179811 [0,0,0,1,0,1|1,0,0]=3 11477 B12R1.255 CC(C)CCCNC1CCOC1 2230a_200000737386_100000731011 [0,0,0,1,0,1|0,0,0]=2 11478 B12R1.255 CC(C)CCCNC1CCOC1 270004a_200000737386_100000752484 [0,0,0,1,0,1|0,0,0]=2 11479 B12R1.255 CC(C)CCCNC1CCOC1 34a_200000737386_100000690089 [0,0,0,1,0,1|0,0,0]=2 11480 B12R1.255 CC(C)CCCNC1CCSC1 270004a_200000737386_100000212027 [0,0,0,1,0,1|0,1,0]=3 11481 B12R1.255 CC(C)CCCN[C@@H]1CCOC1 2230a_200015188469_100011214892 [0,0,0,1,0,1|0,0,0]=2 11482 B12R1.255 CC(C)CCCN[C@H]1CCOC1 2230a_100015188467_100011214892 [0,0,0,1,0,1|0,0,0]=2 11483 B12R1.255 CC(C)CCCN[C@H]1CCOC1 34a_100015188467_100011214892 [0,0,0,1,0,1|0,0,0]=2 11484 B12R1.255 CC(C)CCCOC1CCCC1 34a_100000210269_100011214892 [0,0,0,1,0,1|1,0,0]=3 11485 B12R1.255 CC(C)CCCOC1CCCC1 34a_100000210774_100000179811 [0,0,0,1,0,1|1,0,0]=3 11486 B12R1.255 CC(C)CCCOC1CCCC1 7a_100000210269_100011214892 [0,0,0,1,0,1|1,0,0]=3 11487 B12R1.255 CC(C)CCCOC1CCCC1 7a_100000210774_100000179811 [0,0,0,1,0,1|1,0,0]=3 11488 B12R1.255 CC(C)CCCOC1CCCO1 34a_100000085407_100011214892 [0,0,0,1,0,1|2,0,0]=4 11489 B12R1.255 CC(C)CCCOC1CCOC1 34a_100000210774_100000690089 [0,0,0,1,0,1|0,0,0]=2 11490 B12R1.255 CC(C)CCCOC1CCOC1 7a_100000210774_100000731011 [0,0,0,1,0,1|0,0,0]=2 11491 B12R1.255 CC(C)CCCOC1CCSC1 7a_100011232664_100011214892 [0,0,0,1,0,1|0,1,0]=3 11492 B12R1.255 CC(C)CCCO[C@H]1CCOC1 34a_100000717292_100011214892 [0,0,0,1,0,1|0,0,0]=2 11493 B12R1.255 CC(C)CCCSC1CCCC1 62a_100011214892_100000179811 [0,0,0,1,0,1|1,0,0]=3 11494 B12R1.255 CC(C)CCCSC1CCCC1 62a_100011217020_100011214892 [0,0,0,1,0,1|1,0,0]=3 11495 B12R1.255 CC(C)CCCSC1CCOC1 62a_100011214892_100000690089 [0,0,0,1,0,1|0,0,0]=2 11496 B12R1.255 CC(C)CCNCC1CCCC1 2230a_100000737975_100000210312 [0,0,0,1,0,1|1,0,0]=3 11497 B12R1.255 CC(C)CCNCC1CCCC1 269862a_100000210545_100000746403 [0,0,0,1,0,1|1,0,0]=3 11498 B12R1.255 CC(C)CCNCC1CCCC1 269862a_100000737975_100000185833 [0,0,0,1,0,1|1,0,0]=3 11499 B12R1.255 CC(C)CCNCC1CCCC1 34a_100000737975_100000210312 [0,0,0,1,0,1|1,0,0]=3 11500 B12R1.255 CC(C)CCNCC1CCOC1 2230a_100000737293_100000210312 [0,0,0,1,0,1|0,0,0]=2 11501 B12R1.255 CC(C)CCNCC1CCOC1 269862a_100000737293_100000185833 [0,0,0,1,0,1|0,0,0]=2 11502 B12R1.255 CC(C)CCNCC1CCOC1 34a_100000737293_100000210312 [0,0,0,1,0,1|0,0,0]=2 11503 B12R1.255 CC(C)CCNC[C@@H]1CCCO1 2230a_100020590478_100000210312 [0,0,0,1,0,1|2,0,0]=4 11504 B12R1.255 CC(C)CCNC[C@@H]1CCCO1 269862a_100020590478_100000185833 [0,0,0,1,0,1|2,0,0]=4 11505 B12R1.255 CC(C)CCNC[C@@H]1CCCO1 34a_100020590478_100000210312 [0,0,0,1,0,1|2,0,0]=4 11506 B12R1.255 CC(C)CCOCC1CC=CC1 34a_100000688395_100000210312 [0,0,0,1,0,1|1,0,1]=4 11507 B12R1.255 CC(C)CCOCC1CCCC1 34a_100000210254_100000740388 [0,0,0,1,0,1|1,0,0]=3 11508 B12R1.255 CC(C)CCOCC1CCCC1 34a_100000742336_100000210312 [0,0,0,1,0,1|1,0,0]=3 11509 B12R1.255 CC(C)CCOCC1CCCC1 7a_100000210254_100000740388 [0,0,0,1,0,1|1,0,0]=3 11510 B12R1.255 CC(C)CCOCC1CCCC1 7a_100000742336_100000210626 [0,0,0,1,0,1|1,0,0]=3 11511 B12R1.255 CC(C)CCOCC1CCCO1 34a_100000210270_100000210312 [0,0,0,1,0,1|2,0,0]=4 11512 B12R1.255 CC(C)CCOCC1CCCO1 7a_100000210254_100000203698 [0,0,0,1,0,1|2,0,0]=4 11513 B12R1.255 CC(C)CCOCC1CCCO1 7a_100000210270_100000210626 [0,0,0,1,0,1|2,0,0]=4 11514 B12R1.255 CC(C)CCOCC1CCNC1 34a_100000748654_100000210312 [0,0,0,1,0,1|1,0,0]=3 11515 B12R1.255 CC(C)CCOCC1CCOC1 34a_100000210254_100011261433 [0,0,0,1,0,1|0,0,0]=2 11516 B12R1.255 CC(C)CCOCC1CCOC1 34a_100000740260_100000210312 [0,0,0,1,0,1|0,0,0]=2 11517 B12R1.255 CC(C)CCOCC1CCOC1 7a_100000210254_100000702531 [0,0,0,1,0,1|0,0,0]=2 11518 B12R1.255 CC(C)CCOCC1COCO1 34a_100011216627_100000210312 [0,0,0,1,0,1|1,0,0]=3 11519 B12R1.255 CC(C)CCOC[C@H]1CCCN1 34a_100000745186_100000210312 [0,0,0,1,0,1|2,0,0]=4 11520 B12R1.255 CC(C)CCSCC1CCCC1 62a_100000210312_100000740388 [0,0,0,1,0,1|1,0,0]=3 11521 B12R1.255 CC(C)CCSCC1CCCC1 62a_100000740388_100000210312 [0,0,0,1,0,1|1,0,0]=3 11522 B12R1.255 CC(C)CCSCC1CCCO1 62a_100000203698_100000210312 [0,0,0,1,0,1|2,0,0]=4 11523 B12R1.255 CC(C)CCSCC1CCCO1 62a_100000210312_100000203698 [0,0,0,1,0,1|2,0,0]=4 11524 B12R1.255 CC(C)CCSCC1CCOC1 62a_100000210312_100000702531 [0,0,0,1,0,1|0,0,0]=2 11525 B12R1.255 CC(C)CCSCC1CCOC1 62a_100000702531_100000210312 [0,0,0,1,0,1|0,0,0]=2 11526 B12R1.255 CC(C)CNCCC1CCCC1 2230a_100000210953_100000760354 [0,0,0,1,0,1|1,0,0]=3 11527 B12R1.255 CC(C)CNCCC1CCCC1 2230a_100000739158_100000210760 [0,0,0,1,0,1|1,0,0]=3 11528 B12R1.255 CC(C)CNCCC1CCCC1 270004a_100000739158_100000210432 [0,0,0,1,0,1|1,0,0]=3 11529 B12R1.255 CC(C)CNCCC1CCCC1 34a_100000210953_100000760354 [0,0,0,1,0,1|1,0,0]=3 11530 B12R1.255 CC(C)CNCCC1CCCC1 34a_100000739158_100000210624 [0,0,0,1,0,1|1,0,0]=3 11531 B12R1.255 CC(C)CNCCN1CCCC1 270004a_100000212299_100000210432 [0,0,0,1,0,1|2,0,0]=4 11532 B12R1.255 CC(C)COCCC1CCCC1 34a_100000210257_100000760354 [0,0,0,1,0,1|1,0,0]=3 11533 B12R1.255 CC(C)COCCC1CCCC1 34a_100000749090_100000210624 [0,0,0,1,0,1|1,0,0]=3 11534 B12R1.255 CC(C)COCCC1CCCC1 7a_100000749090_100000210760 [0,0,0,1,0,1|1,0,0]=3 11535 B12R1.255 CC(C)COCCC1CCNC1 34a_100016987287_100000210624 [0,0,0,1,0,1|1,0,0]=3 11536 B12R1.255 CC(C)COCCC1CCOC1 34a_100011879284_100000210624 [0,0,0,1,0,1|0,0,0]=2 11537 B12R1.255 CC(C)CSCCC1CCCC1 62a_100000210624_100000760354 [0,0,0,1,0,1|1,0,0]=3 11538 B12R1.255 CC(C)CSCCC1CCCC1 62a_100000760354_100000210760 [0,0,0,1,0,1|1,0,0]=3 11539 B12R1.255 CC(C)CSCCN1CCCC1 62a_100000210624_100000004467 [0,0,0,1,0,1|2,0,0]=4 11540 B12R1.255 CC(C)CSCCN1CCCC1 62a_100000700749_100000210760 [0,0,0,1,0,1|2,0,0]=4 11541 B12R1.255 CC(C)NCCCC1CCCC1 2230a_100000736752_100000210206 [0,0,0,1,0,1|1,0,0]=3 11542 B12R1.255 CC(C)NCCCC1CCCC1 2230a_100138425928_100011713738 [0,0,0,1,0,1|1,0,0]=3 11543 B12R1.255 CC(C)NCCCC1CCCC1 34a_100000736752_100000210206 [0,0,0,1,0,1|1,0,0]=3 11544 B12R1.255 CC(C)NCCCC1CCCC1 34a_100138425928_100011713738 [0,0,0,1,0,1|1,0,0]=3 11545 B12R1.255 CC(C)NCCCN1CCCC1 2230a_100138425928_100011445909 [0,0,0,1,0,1|2,0,0]=4 11546 B12R1.255 CC(C)NCCCN1CCCC1 34a_100138425928_100016991639 [0,0,0,1,0,1|2,0,0]=4 11547 B12R1.255 CC(C)NCCOC1CCCC1 34a_100000224655_100000179811 [0,0,0,1,0,1|2,0,0]=4 11548 B12R1.255 CC(C)NCCOC1CCCC1 34a_100000741755_100000210206 [0,0,0,1,0,1|2,0,0]=4 11549 B12R1.255 CC(C)NCCOC1CCOC1 34a_100000224655_100000690089 [0,0,0,1,0,1|1,0,0]=3 11550 B12R1.255 CC(C)OCCCC1CCCC1 34a_100000212225_100011713738 [0,0,0,1,0,1|1,0,0]=3 11551 B12R1.255 CC(C)OCCCC1CCCC1 34a_100011215328_100000210206 [0,0,0,1,0,1|1,0,0]=3 11552 B12R1.255 CC(C)OCCCC1CCCC1 7a_100011215328_100000210206 [0,0,0,1,0,1|1,0,0]=3 11553 B12R1.255 CC(C)OCCCN1CCCC1 34a_100000212225_100016991639 [0,0,0,1,0,1|2,0,0]=4 11554 B12R1.255 CC(C)OCCNC1CCCC1 2230a_100000211070_100000211751 [0,0,0,1,0,1|2,0,0]=4 11555 B12R1.255 CC(C)OCCNC1CCCC1 2230a_100000701111_100000179811 [0,0,0,1,0,1|2,0,0]=4 11556 B12R1.255 CC(C)OCCNC1CCCC1 270004a_100000701111_100000210133 [0,0,0,1,0,1|2,0,0]=4 11557 B12R1.255 CC(C)OCCNC1CCCC1 34a_100000211070_100000211751 [0,0,0,1,0,1|2,0,0]=4 11558 B12R1.255 CC(C)OCCNC1CCCC1 34a_100000701111_100000179811 [0,0,0,1,0,1|2,0,0]=4 11559 B12R1.255 CC(C)OCCNC1CCCC1 34a_200000200444_100000210206 [0,0,0,1,0,1|2,0,0]=4 11560 B12R1.255 CC(C)OCCNC1CCOC1 2230a_100000701111_100000731011 [0,0,0,1,0,1|1,0,0]=3 11561 B12R1.255 CC(C)OCCNC1CCOC1 270004a_100000701111_100000752484 [0,0,0,1,0,1|1,0,0]=3 11562 B12R1.255 CC(C)OCCNC1CCOC1 34a_100000701111_100000690089 [0,0,0,1,0,1|1,0,0]=3 11563 B12R1.255 CC(C)OCCNC1CCSC1 270004a_100000701111_100000212027 [0,0,0,1,0,1|1,1,0]=4 11564 B12R1.255 CC(C)OCCN[C@@H]1CCOC1 2230a_200015188469_100000211751 [0,0,0,1,0,1|1,0,0]=3 11565 B12R1.255 CC(C)OCCN[C@H]1CCOC1 2230a_100015188467_100000211751 [0,0,0,1,0,1|1,0,0]=3 11566 B12R1.255 CC(C)OCCN[C@H]1CCOC1 34a_100015188467_100000211751 [0,0,0,1,0,1|1,0,0]=3 11567 B12R1.255 CC(C)OCCOC1CCCC1 34a_100000210269_100000211751 [0,0,0,1,0,1|2,0,0]=4 11568 B12R1.255 CC(C)OCCOC1CCCC1 34a_100000211219_100000179811 [0,0,0,1,0,1|2,0,0]=4 11569 B12R1.255 CC(C)OCCOC1CCCC1 34a_100000738311_100000210206 [0,0,0,1,0,1|2,0,0]=4 11570 B12R1.255 CC(C)OCCOC1CCCC1 7a_100000210269_100000211751 [0,0,0,1,0,1|2,0,0]=4 11571 B12R1.255 CC(C)OCCOC1CCCC1 7a_100000211219_100000179811 [0,0,0,1,0,1|2,0,0]=4 11572 B12R1.255 CC(C)OCCOC1CCCC1 7a_100000738311_100000210206 [0,0,0,1,0,1|2,0,0]=4 11573 B12R1.255 CC(C)OCCOC1CCOC1 34a_100000211219_100000690089 [0,0,0,1,0,1|1,0,0]=3 11574 B12R1.255 CC(C)OCCOC1CCOC1 7a_100000211219_100000731011 [0,0,0,1,0,1|1,0,0]=3 11575 B12R1.255 CC(C)OCCOC1CCSC1 7a_100011232664_100000211751 [0,0,0,1,0,1|1,1,0]=4 11576 B12R1.255 CC(C)OCCO[C@H]1CCOC1 34a_100000717292_100000211751 [0,0,0,1,0,1|1,0,0]=3 11577 B12R1.255 CC(C)OCCSC1CCCC1 62a_100000211751_100000179811 [0,0,0,1,0,1|2,0,0]=4 11578 B12R1.255 CC(C)OCCSC1CCCC1 62a_100011217020_100000211751 [0,0,0,1,0,1|2,0,0]=4 11579 B12R1.255 CC(C)OCCSC1CCOC1 62a_100000211751_100000690089 [0,0,0,1,0,1|1,0,0]=3 11580 B12R1.255 CC(C)OCNCC1CCCC1 2230a_100000737975_100000709892 [0,0,0,1,0,1|2,0,0]=4 11581 B12R1.255 CC(C)OCNCC1CCCC1 34a_100000737975_100000709892 [0,0,0,1,0,1|2,0,0]=4 11582 B12R1.255 CC(C)OCNCC1CCOC1 2230a_100000737293_100000709892 [0,0,0,1,0,1|1,0,0]=3 11583 B12R1.255 CC(C)OCNCC1CCOC1 34a_100000737293_100000709892 [0,0,0,1,0,1|1,0,0]=3 11584 B12R1.255 CC(C)OCOCC1CCCC1 34a_100000742336_100000709892 [0,0,0,1,0,1|2,0,0]=4 11585 B12R1.255 CC(C)OCOCC1CCNC1 34a_100000748654_100000709892 [0,0,0,1,0,1|2,0,0]=4 11586 B12R1.255 CC(C)OCOCC1CCOC1 34a_100000740260_100000709892 [0,0,0,1,0,1|1,0,0]=3 11587 B12R1.255 CC(C)OCOCC1COCO1 34a_100011216627_100000709892 [0,0,0,1,0,1|2,0,0]=4 11588 B12R1.255 CC(C)OCSCC1CCCC1 62a_100000709892_100000740388 [0,0,0,1,0,1|2,0,0]=4 11589 B12R1.255 CC(C)OCSCC1CCCC1 62a_100000740388_100000709892 [0,0,0,1,0,1|2,0,0]=4 11590 B12R1.255 CC(C)OCSCC1CCOC1 62a_100000702531_100000709892 [0,0,0,1,0,1|1,0,0]=3 11591 B12R1.255 CC(C)OCSCC1CCOC1 62a_100000709892_100000702531 [0,0,0,1,0,1|1,0,0]=3 11592 B12R1.255 CC(C)SCCCC1CCCC1 62a_100000210206_100011713738 [0,0,0,1,0,1|1,0,0]=3 11593 B12R1.255 CC(C)SCCCC1CCCC1 62a_100011713738_100000210206 [0,0,0,1,0,1|1,0,0]=3 11594 B12R1.255 CC(C)SCCCN1CCCC1 62a_100000210206_100011445909 [0,0,0,1,0,1|2,0,0]=4 11595 B12R1.255 CC(C)SCCCN1CCCC1 62a_100016991639_100000210206 [0,0,0,1,0,1|2,0,0]=4 11596 B12R1.255 CC(C)SCCNC1CCCC1 2230a_100000211070_100000730970 [0,0,0,1,0,1|2,0,0]=4 11597 B12R1.255 CC(C)SCCNC1CCCC1 2230a_100000731138_100000179811 [0,0,0,1,0,1|2,0,0]=4 11598 B12R1.255 CC(C)SCCNC1CCCC1 270004a_100000731138_100000210133 [0,0,0,1,0,1|2,0,0]=4 11599 B12R1.255 CC(C)SCCNC1CCCC1 34a_100000211070_100000730970 [0,0,0,1,0,1|2,0,0]=4 11600 B12R1.255 CC(C)SCCNC1CCCC1 34a_100000731138_100000179811 [0,0,0,1,0,1|2,0,0]=4 11601 B12R1.255 CC(C)SCCNC1CCOC1 2230a_100000731138_100000731011 [0,0,0,1,0,1|1,0,0]=3 11602 B12R1.255 CC(C)SCCNC1CCOC1 270004a_100000731138_100000752484 [0,0,0,1,0,1|1,0,0]=3 11603 B12R1.255 CC(C)SCCNC1CCOC1 34a_100000731138_100000690089 [0,0,0,1,0,1|1,0,0]=3 11604 B12R1.255 CC(C)SCCNC1CCSC1 270004a_100000731138_100000212027 [0,0,0,1,0,1|1,1,0]=4 11605 B12R1.255 CC(C)SCCN[C@@H]1CCOC1 2230a_200015188469_100000730970 [0,0,0,1,0,1|1,0,0]=3 11606 B12R1.255 CC(C)SCCN[C@H]1CCOC1 2230a_100015188467_100000730970 [0,0,0,1,0,1|1,0,0]=3 11607 B12R1.255 CC(C)SCCN[C@H]1CCOC1 34a_100015188467_100000730970 [0,0,0,1,0,1|1,0,0]=3 11608 B12R1.255 CC(C)SCCOC1CCCC1 34a_100000210269_100000730970 [0,0,0,1,0,1|2,0,0]=4 11609 B12R1.255 CC(C)SCCOC1CCCC1 34a_200011212901_100000179811 [0,0,0,1,0,1|2,0,0]=4 11610 B12R1.255 CC(C)SCCOC1CCCC1 7a_100000210269_100000730970 [0,0,0,1,0,1|2,0,0]=4 11611 B12R1.255 CC(C)SCCOC1CCCC1 7a_200011212901_100000179811 [0,0,0,1,0,1|2,0,0]=4 11612 B12R1.255 CC(C)SCCOC1CCOC1 34a_200011212901_100000690089 [0,0,0,1,0,1|1,0,0]=3 11613 B12R1.255 CC(C)SCCOC1CCOC1 7a_200011212901_100000731011 [0,0,0,1,0,1|1,0,0]=3 11614 B12R1.255 CC(C)SCCOC1CCSC1 7a_100011232664_100000730970 [0,0,0,1,0,1|1,1,0]=4 11615 B12R1.255 CC(C)SCCO[C@H]1CCOC1 34a_100000717292_100000730970 [0,0,0,1,0,1|1,0,0]=3 11616 B12R1.255 CC(C)SCCSC1CCCC1 62a_100000730970_100000179811 [0,0,0,1,0,1|2,0,0]=4 11617 B12R1.255 CC(C)SCCSC1CCCC1 62a_100011217020_100000730970 [0,0,0,1,0,1|2,0,0]=4 11618 B12R1.255 CC(C)SCCSC1CCOC1 62a_100000730970_100000690089 [0,0,0,1,0,1|1,0,0]=3 11619 B12R1.255 CC(F)COCCC1CCCC1 34a_100015925927_100000760354 [0,0,0,1,0,1|2,0,0]=4 11620 B12R1.255 CC(O)CCCNC1CCCC1 2230a_100000211070_200000718107 [0,0,0,1,0,1|2,0,0]=4 11621 B12R1.255 CC(O)CCCNC1CCCC1 34a_100000211070_200000718107 [0,0,0,1,0,1|2,0,0]=4 11622 B12R1.255 CC(O)CCCN[C@@H]1CCOC1 2230a_200015188469_200000718107 [0,0,0,1,0,1|1,0,0]=3 11623 B12R1.255 CC(O)CCCN[C@H]1CCOC1 2230a_100015188467_200000718107 [0,0,0,1,0,1|1,0,0]=3 11624 B12R1.255 CC(O)CCCN[C@H]1CCOC1 34a_100015188467_200000718107 [0,0,0,1,0,1|1,0,0]=3 11625 B12R1.255 CC(O)CCCOC1CCCC1 34a_100000210269_200000718107 [0,0,0,1,0,1|2,0,0]=4 11626 B12R1.255 CC(O)CCCOC1CCCC1 7a_100000210269_200000718107 [0,0,0,1,0,1|2,0,0]=4 11627 B12R1.255 CC(O)CCCOC1CCSC1 7a_100011232664_200000718107 [0,0,0,1,0,1|1,1,0]=4 11628 B12R1.255 CC(O)CCCO[C@H]1CCOC1 34a_100000717292_200000718107 [0,0,0,1,0,1|1,0,0]=3 11629 B12R1.255 CC(O)CCCSC1CCCC1 62a_100011217020_200000718107 [0,0,0,1,0,1|2,0,0]=4 11630 B12R1.255 CC(O)CCCSC1CCCC1 62a_200000718107_100000179811 [0,0,0,1,0,1|2,0,0]=4 11631 B12R1.255 CC(O)CCCSC1CCOC1 62a_200000718107_100000690089 [0,0,0,1,0,1|1,0,0]=3 11632 B12R1.255 CC(O)CCNCC1CCCC1 2230a_100000737975_100012276601 [0,0,0,1,0,1|2,0,0]=4 11633 B12R1.255 CC(O)CCNCC1CCCC1 2230a_200000755665_100000740388 [0,0,0,1,0,1|2,0,0]=4 11634 B12R1.255 CC(O)CCNCC1CCCC1 269862a_200000755665_100000746403 [0,0,0,1,0,1|2,0,0]=4 11635 B12R1.255 CC(O)CCNCC1CCCC1 34a_100000737975_100012276601 [0,0,0,1,0,1|2,0,0]=4 11636 B12R1.255 CC(O)CCNCC1CCOC1 2230a_100000737293_100012276601 [0,0,0,1,0,1|1,0,0]=3 11637 B12R1.255 CC(O)CCNCC1CCOC1 2230a_200000755665_100000702531 [0,0,0,1,0,1|1,0,0]=3 11638 B12R1.255 CC(O)CCNCC1CCOC1 34a_100000737293_100012276601 [0,0,0,1,0,1|1,0,0]=3 11639 B12R1.255 CC(O)CCOCC1CCCC1 34a_100000742336_100012276601 [0,0,0,1,0,1|2,0,0]=4 11640 B12R1.255 CC(O)CCOCC1CCCC1 7a_100000742336_100012276601 [0,0,0,1,0,1|2,0,0]=4 11641 B12R1.255 CC(O)CCOCC1CCNC1 34a_100000748654_100012276601 [0,0,0,1,0,1|2,0,0]=4 11642 B12R1.255 CC(O)CCOCC1CCOC1 34a_100000740260_100012276601 [0,0,0,1,0,1|1,0,0]=3 11643 B12R1.255 CC(O)CCOCC1COCO1 34a_100011216627_100012276601 [0,0,0,1,0,1|2,0,0]=4 11644 B12R1.255 CC(O)CCSCC1CCCC1 62a_100000740388_100012276601 [0,0,0,1,0,1|2,0,0]=4 11645 B12R1.255 CC(O)CCSCC1CCCC1 62a_100012276601_100000740388 [0,0,0,1,0,1|2,0,0]=4 11646 B12R1.255 CC(O)CCSCC1CCOC1 62a_100000702531_100012276601 [0,0,0,1,0,1|1,0,0]=3 11647 B12R1.255 CC(O)CCSCC1CCOC1 62a_100012276601_100000702531 [0,0,0,1,0,1|1,0,0]=3 11648 B12R1.255 CC(O)CNCCC1CCCC1 2230a_100000210904_100000760354 [0,0,0,1,0,1|2,0,0]=4 11649 B12R1.255 CC(O)CNCCC1CCCC1 2230a_100000739158_100011218427 [0,0,0,1,0,1|2,0,0]=4 11650 B12R1.255 CC(O)CNCCC1CCCC1 34a_100000210904_100000760354 [0,0,0,1,0,1|2,0,0]=4 11651 B12R1.255 CC(O)CNCCC1CCCC1 34a_100000739158_100011218427 [0,0,0,1,0,1|2,0,0]=4 11652 B12R1.255 CC(O)COCCC1CCCC1 34a_100000749090_100011218427 [0,0,0,1,0,1|2,0,0]=4 11653 B12R1.255 CC(O)COCCC1CCCC1 7a_100000749090_100011218427 [0,0,0,1,0,1|2,0,0]=4 11654 B12R1.255 CC(O)COCCC1CCNC1 34a_100016987287_100011218427 [0,0,0,1,0,1|2,0,0]=4 11655 B12R1.255 CC(O)COCCC1CCOC1 34a_100011879284_100011218427 [0,0,0,1,0,1|1,0,0]=3 11656 B12R1.255 CC(O)CSCCC1CCCC1 62a_100000760354_100011218427 [0,0,0,1,0,1|2,0,0]=4 11657 B12R1.255 CC(O)CSCCC1CCCC1 62a_100011218427_100000760354 [0,0,0,1,0,1|2,0,0]=4 11658 B12R1.255 CN(C)CCCNC1CCCC1 270004a_102531767803_100000210133 [0,0,0,1,0,1|2,0,0]=4 11659 B12R1.255 CN(C)CCCNC1CCOC1 270004a_102531767803_100000752484 [0,0,0,1,0,1|1,0,0]=3 11660 B12R1.255 CN(C)CCCNC1CCSC1 270004a_102531767803_100000212027 [0,0,0,1,0,1|1,1,0]=4 11661 B12R1.255 CN(C)CCCOC1CCCC1 7a_100000210269_100000757444 [0,0,0,1,0,1|2,0,0]=4 11662 B12R1.255 CN(C)CCCOC1CCSC1 7a_100011232664_100000757444 [0,0,0,1,0,1|1,1,0]=4 11663 B12R1.255 CN(C)CCCSC1CCCC1 62a_100011217020_100000757444 [0,0,0,1,0,1|2,0,0]=4 11664 B12R1.255 CN(C)CCNCC1CCCC1 269862a_100000210585_100000746403 [0,0,0,1,0,1|2,0,0]=4 11665 B12R1.255 CN(C)CCOCC1CCCC1 7a_100000742336_100000755713 [0,0,0,1,0,1|2,0,0]=4 11666 B12R1.255 CN(C)CCSCC1CCCC1 62a_100000740388_100000755713 [0,0,0,1,0,1|2,0,0]=4 11667 B12R1.255 CN(C)CCSCC1CCOC1 62a_100000702531_100000755713 [0,0,0,1,0,1|1,0,0]=3 11668 B12R1.255 CS(=O)CCCNC1CCOC1 2230a_200000753449_100000731011 [0,0,0,1,0,1|2,0,0]=4 11669 B12R1.255 CS(=O)CCCNC1CCOC1 270004a_200000753449_100000752484 [0,0,0,1,0,1|2,0,0]=4 11670 B12R1.255 C[C@@H](Cl)COCCC1CCCC1 34a_100016084084_100000760354 [0,0,0,1,0,1|2,0,0]=4 11671 B12R1.255 C[C@@H](N)CCOCC1CCCC1 34a_100000706166_100000740388 [0,0,0,1,0,1|2,0,0]=4 11672 B12R1.255 C[C@@H](N)CCOCC1CCOC1 34a_100000706166_100011261433 [0,0,0,1,0,1|1,0,0]=3 11673 B12R1.255 C[C@@H](N)COCCC1CCCC1 34a_100000737577_100000760354 [0,0,0,1,0,1|2,0,0]=4 11674 B12R1.255 C[C@@H](O)CNCCC1CCCC1 2230a_100000739158_100009817552 [0,0,0,1,0,1|2,0,0]=4 11675 B12R1.255 C[C@@H](O)CNCCC1CCCC1 34a_100000739158_100009817552 [0,0,0,1,0,1|2,0,0]=4 11676 B12R1.255 C[C@@H](O)COCCC1CCCC1 34a_100000749090_100009817552 [0,0,0,1,0,1|2,0,0]=4 11677 B12R1.255 C[C@@H](O)COCCC1CCCC1 7a_100000749090_100009817552 [0,0,0,1,0,1|2,0,0]=4 11678 B12R1.255 C[C@@H](O)COCCC1CCNC1 34a_100016987287_100009817552 [0,0,0,1,0,1|2,0,0]=4 11679 B12R1.255 C[C@@H](O)COCCC1CCOC1 34a_100011879284_100009817552 [0,0,0,1,0,1|1,0,0]=3 11680 B12R1.255 C[C@@H](O)CSCCC1CCCC1 62a_100000760354_100009817552 [0,0,0,1,0,1|2,0,0]=4 11681 B12R1.255 C[C@@H](O)CSCCC1CCCC1 62a_100009817552_100000760354 [0,0,0,1,0,1|2,0,0]=4 11682 B12R1.255 FC(F)CCOCC1CCOC1 34a_100103093639_100011261433 [0,0,0,1,0,1|2,0,0]=4 11683 B12R1.255 FC(F)COCCC1CCOC1 34a_100011879284_100011934356 [0,0,0,1,0,1|2,0,0]=4 11684 B12R1.279 CC(=O)N1CCCC(C1)CCO 240690a_100000752241_100015343762 [0,0,0,1,0,1|1,0,1]=4 11685 B12R1.279 CC(=O)N1CCCC(C1)CCO 527a_100000752241_100103153847 [0,0,0,1,0,1|1,0,1]=4 11686 B12R1.279 CC(C)C1CCNC(C1)OCF 34a_100016151081_100015361967 [0,0,0,1,0,1|2,0,0]=4 11687 B12R1.279 CC(C)C1CN(CCO1)CCF 2230a_100000697742_100011217306 [0,0,0,1,0,1|2,0,0]=4 11688 B12R1.279 CC(C)C1CN(CCO1)CCF 269982a_100000697742_100011217306 [0,0,0,1,0,1|2,0,0]=4 11689 B12R1.279 CC(C)C1CN(CCO1)CCF 34a_100000697742_100011217306 [0,0,0,1,0,1|2,0,0]=4 11690 B12R1.279 CC(C)C1CN(CCO1)CCO 2230a_100000697742_100000211926 [0,0,0,1,0,1|1,0,0]=3 11691 B12R1.279 CC(C)C1CN(CCO1)CCO 269982a_100000697742_100000211926 [0,0,0,1,0,1|1,0,0]=3 11692 B12R1.279 CC(C)C1CN(CCO1)CCO 34a_100000697742_100000211926 [0,0,0,1,0,1|1,0,0]=3 11693 B12R1.279 CC(C)N1CCCC(C1)CC#N 2230a_100015183952_100000210206 [0,0,0,1,0,1|1,0,1]=4 11694 B12R1.279 CC(C)N1CCCC(C1)CC#N 34a_100015183952_100000210206 [0,0,0,1,0,1|1,0,1]=4 11695 B12R1.279 CC(C)N1CCCC(C1)CCO 2230a_100000752241_100000210206 [0,0,0,1,0,1|0,0,0]=2 11696 B12R1.279 CC(C)N1CCCC(C1)CCO 269982a_100000752241_100000210206 [0,0,0,1,0,1|0,0,0]=2 11697 B12R1.279 CC(C)N1CCCC(C1)CCO 34a_100000752241_100000210206 [0,0,0,1,0,1|0,0,0]=2 11698 B12R1.279 CC(C)N1CCCC(C1)CN[13CH3] 2230a_100000747264_200025704644 [0,0,0,1,0,1|2,0,0]=4 11699 B12R1.279 CC(C)N1CCCC(C1)CN[13CH3] 34a_100000747264_200025704644 [0,0,0,1,0,1|2,0,0]=4 11700 B12R1.279 CC(C)N1CCCC(C1)CO[13CH3] 34a_100000209471_200025704644 [0,0,0,1,0,1|2,0,0]=4 11701 B12R1.279 CC(C)N1CCCC(C1)CO[13CH3] 7a_100000209471_200025704644 [0,0,0,1,0,1|2,0,0]=4 11702 B12R1.279 CC(C)N1CCCC(C1)OCF 7a_100000209440_100015361967 [0,0,0,1,0,1|2,0,0]=4 11703 B12R1.279 CC(O)C1CCCN(C1)CCO 2230a_100000740858_100000211926 [0,0,0,1,0,1|2,0,0]=4 11704 B12R1.279 CC(O)C1CCCN(C1)CCO 269982a_100000740858_100000211926 [0,0,0,1,0,1|2,0,0]=4 11705 B12R1.279 CC(O)C1CCCN(C1)CCO 34a_100000740858_100000211926 [0,0,0,1,0,1|2,0,0]=4 11706 B12R1.279 CCCC1CC(CCN1)N(C)C 270004a_100102631434_100016991347 [0,0,0,1,0,1|2,0,0]=4 11707 B12R1.279 CCCN1CCOC(C1)C(C)C 2230a_100000697742_100000210303 [0,0,0,1,0,1|2,0,0]=4 11708 B12R1.279 CCCN1CCOC(C1)C(C)C 269982a_100000697742_100000210303 [0,0,0,1,0,1|2,0,0]=4 11709 B12R1.279 CCCN1CCOC(C1)C(C)C 34a_100000697742_100000210303 [0,0,0,1,0,1|2,0,0]=4 11710 B12R1.279 CCOC1CC(CCN1)C(C)C 34a_100016151081_100000210202 [0,0,0,1,0,1|2,0,0]=4 11711 B12R1.279 CCOC1CCCN(C1)C(C)C 2230a_100000745229_100000210206 [0,0,0,1,0,1|2,0,0]=4 11712 B12R1.279 CCOC1CCCN(C1)C(C)C 269982a_100000745229_100000210206 [0,0,0,1,0,1|2,0,0]=4 11713 B12R1.279 CCOC1CCCN(C1)C(C)C 34a_100000745229_100000210206 [0,0,0,1,0,1|2,0,0]=4 11714 B12R1.279 CCOC1CCCN(C1)C(C)C 7a_100000209440_100000210202 [0,0,0,1,0,1|2,0,0]=4 11715 B12R1.279 CN(C)C1CCCN(C1)CCO 2230a_100011292519_100000211926 [0,0,0,1,0,1|2,0,0]=4 11716 B12R1.279 CN(C)C1CCCN(C1)CCO 269982a_100011292519_100000211926 [0,0,0,1,0,1|2,0,0]=4 11717 B12R1.279 CNCC1CCCN(C1)C(C)C 2230a_100000747264_200000210301 [0,0,0,1,0,1|2,0,0]=4 11718 B12R1.279 CNCC1CCCN(C1)C(C)C 34a_100000747264_200000210301 [0,0,0,1,0,1|2,0,0]=4 11719 B12R1.279 COCC1CCCN(C1)C(C)C 2230a_100000755410_100000210206 [0,0,0,1,0,1|2,0,0]=4 11720 B12R1.279 COCC1CCCN(C1)C(C)C 269982a_100000755410_100000210206 [0,0,0,1,0,1|2,0,0]=4 11721 B12R1.279 COCC1CCCN(C1)C(C)C 34a_100000209471_200000210301 [0,0,0,1,0,1|2,0,0]=4 11722 B12R1.279 COCC1CCCN(C1)C(C)C 34a_100000755410_100000210206 [0,0,0,1,0,1|2,0,0]=4 11723 B12R1.279 COCC1CCCN(C1)C(C)C 7a_100000209471_200000210301 [0,0,0,1,0,1|2,0,0]=4 11724 B12R1.310 C=CCC(C)COCCC1CC1 34a_100009832082_100000694398 [0,0,0,1,0,1|1,0,1]=4 11725 B12R1.310 C=CCC(C)COCCC1CC1 7a_100009832082_100000764125 [0,0,0,1,0,1|1,0,1]=4 11726 B12R1.310 CC(CCBr)OCCCC1CO1 34a_100012276601_100000733510 [0,0,0,1,0,1|2,0,0]=4 11727 B12R1.310 CC(CCN)COCCC1CC1 34a_106354213184_100000694398 [0,0,0,1,0,1|1,0,0]=3 11728 B12R1.310 CC(CCN)COCCC1CO1 34a_106354213184_100000732470 [0,0,0,1,0,1|2,0,0]=4 11729 B12R1.310 CC(CCO)OCC#CC1CC1 34a_100000083941_100009893172 [0,0,0,1,0,1|0,0,2]=4 11730 B12R1.310 CC(CCO)OCC#CC1CC1 7a_100000083941_100009893172 [0,0,0,1,0,1|0,0,2]=4 11731 B12R1.310 CC(CCO)OCCNC1CC1 34a_100000738766_100009893172 [0,0,0,1,0,1|1,0,0]=3 11732 B12R1.310 CC(CCO)SCC#CC1CC1 62a_100009893172_100009895102 [0,0,0,1,0,1|0,0,2]=4 11733 B12R1.310 CC(CCO)SCC#CC1CC1 62a_100009895102_100009893172 [0,0,0,1,0,1|0,0,2]=4 11734 B12R1.310 CC(CCO)SCCCC1CO1 62a_100000733510_100009893172 [0,0,0,1,0,1|1,0,0]=3 11735 B12R1.310 CC(CCO)SCCCC1CO1 62a_100009893172_100000733510 [0,0,0,1,0,1|1,0,0]=3 11736 B12R1.310 CCCC(C)CCCOC1CC1 34a_100011713154_100000211595 [0,0,0,1,0,1|1,0,0]=3 11737 B12R1.310 CCCC(C)CCOCC1CC1 34a_100011217855_100000742324 [0,0,0,1,0,1|1,0,0]=3 11738 B12R1.310 CCCC(C)CCOCC1CC1 7a_100011217855_100000742324 [0,0,0,1,0,1|1,0,0]=3 11739 B12R1.310 CCCC(C)CCOCC1CO1 34a_100011217855_102125554688 [0,0,0,1,0,1|2,0,0]=4 11740 B12R1.310 CCCC(C)CCOCC1CO1 7a_100011217855_102125554688 [0,0,0,1,0,1|2,0,0]=4 11741 B12R1.310 CCCC(C)CCOCC1CS1 7a_100011217855_100000031435 [0,0,0,1,0,1|2,0,0]=4 11742 B12R1.310 CCCC(C)CCOC[C@@H]1CO1 7a_100011217855_100000745022 [0,0,0,1,0,1|2,0,0]=4 11743 B12R1.310 CCCC(C)CNCCC1CC1 270004a_100000764129_100000243154 [0,0,0,1,0,1|1,0,0]=3 11744 B12R1.310 CCCC(C)CNCCC1CC1 34a_100000764129_100011216630 [0,0,0,1,0,1|1,0,0]=3 11745 B12R1.310 CCCC(C)COCCC1CC1 34a_100000688023_100000694398 [0,0,0,1,0,1|1,0,0]=3 11746 B12R1.310 CCCC(C)COCCC1CC1 34a_100000754188_100011216630 [0,0,0,1,0,1|1,0,0]=3 11747 B12R1.310 CCCC(C)COCCC1CC1 7a_100000688023_100000764125 [0,0,0,1,0,1|1,0,0]=3 11748 B12R1.310 CCCC(C)COCCC1CC1 7a_100000754188_100011216630 [0,0,0,1,0,1|1,0,0]=3 11749 B12R1.310 CCCC(C)COCCC1CO1 34a_100000688023_100000732470 [0,0,0,1,0,1|2,0,0]=4 11750 B12R1.310 CCCC(C)COCCC1CO1 7a_100000688023_100000732470 [0,0,0,1,0,1|2,0,0]=4 11751 B12R1.310 CCCC(C)COCC[C@@H]1CO1 34a_100009820653_100011216630 [0,0,0,1,0,1|2,0,0]=4 11752 B12R1.310 CCCC(C)CSCCC1CC1 62a_100000764125_100011216630 [0,0,0,1,0,1|1,0,0]=3 11753 B12R1.310 CCCC(C)CSCCC1CC1 62a_100011216630_100000764125 [0,0,0,1,0,1|1,0,0]=3 11754 B12R1.310 CCCC(C)CSCCC1CO1 62a_100000732470_100011216630 [0,0,0,1,0,1|2,0,0]=4 11755 B12R1.310 CCCC(C)CSCCC1CO1 62a_100011216630_100000732470 [0,0,0,1,0,1|2,0,0]=4 11756 B12R1.310 CCCC(C)NCCCC1CO1 2230a_100000741246_100000733510 [0,0,0,1,0,1|2,0,0]=4 11757 B12R1.310 CCCC(C)OCCCC1CO1 34a_100000764384_100000733510 [0,0,0,1,0,1|2,0,0]=4 11758 B12R1.310 CCCC(C)OCCCC1CO1 7a_100000764384_100000733510 [0,0,0,1,0,1|2,0,0]=4 11759 B12R1.310 CCCC(C)OCCNC1CC1 34a_100000738766_100000766640 [0,0,0,1,0,1|2,0,0]=4 11760 B12R1.310 CCCC(C)SCCCC1CO1 62a_100000733510_100000766640 [0,0,0,1,0,1|2,0,0]=4 11761 B12R1.310 CCCC(C)SCCCC1CO1 62a_100000766640_100000733510 [0,0,0,1,0,1|2,0,0]=4 11762 B12R1.310 CCC[C@H](N)CCOCC1CC1 34a_100015193777_100000742324 [0,0,0,1,0,1|2,0,0]=4 11763 B12R1.310 CCC[C@H](N)COCCC1CC1 34a_100000732646_100000694398 [0,0,0,1,0,1|2,0,0]=4 11764 B12R1.310 C[C@H](CCO)NCC#CC1CC1 2230a_100000706166_100009895102 [0,0,0,1,0,1|0,0,2]=4 11765 B12R1.310 C[C@H](CCO)NCC#CC1CC1 34a_100000706166_100009895102 [0,0,0,1,0,1|0,0,2]=4 11766 B12R1.310 C[C@H](CCO)NCCCC1CO1 2230a_100000706166_100000733510 [0,0,0,1,0,1|1,0,0]=3 11767 B12R1.310 C[C@H](CCO)NCCCC1CO1 34a_100000706166_100000733510 [0,0,0,1,0,1|1,0,0]=3 11768 B12R1.317 CC(CC#N)N1CCCC1(C)C 2230a_100000761399_100009813641 [0,0,0,1,0,1|1,0,1]=4 11769 B12R1.317 CC(CC#N)N1CCCC1(C)C 269982a_100000761399_100009813641 [0,0,0,1,0,1|1,0,1]=4 11770 B12R1.317 CC(CCO)N1CCCC1(C)C 2230a_100000761399_100009893172 [0,0,0,1,0,1|0,0,0]=2 11771 B12R1.317 CC(CCO)N1CCCC1(C)C 269982a_100000761399_100009893172 [0,0,0,1,0,1|0,0,0]=2 11772 B12R1.317 CC(CCO)N1CCCC1(C)C 34a_100000761399_100009893172 [0,0,0,1,0,1|0,0,0]=2 11773 B12R1.317 CC(CCO)N1CCSC1(C)C 2230a_100011217261_100009893172 [0,0,0,1,0,1|1,0,0]=3 11774 B12R1.317 CC(CCO)N1CCSC1(C)C 269982a_100011217261_100009893172 [0,0,0,1,0,1|1,0,0]=3 11775 B12R1.317 CC(CCO)N1CCSC1(C)C 34a_100011217261_100009893172 [0,0,0,1,0,1|1,0,0]=3 11776 B12R1.317 CC(CCO)N1COCC1(C)C 2230a_100000043020_100009893172 [0,0,0,1,0,1|1,0,0]=3 11777 B12R1.317 CC(CCO)N1COCC1(C)C 269982a_100000043020_100009893172 [0,0,0,1,0,1|1,0,0]=3 11778 B12R1.317 CC1(CCCN1C(=O)CCO)C 240690a_100000761399_100011216618 [0,0,0,1,0,1|1,0,1]=4 11779 B12R1.317 CCCC(C)N1CCCC1(C)C 2230a_100000761399_100000766640 [0,0,0,1,0,1|1,0,0]=3 11780 B12R1.317 CCCC(C)N1CCCC1(C)C 269982a_100000761399_100000766640 [0,0,0,1,0,1|1,0,0]=3 11781 B12R1.317 CCCC(C)N1CCCC1(C)C 270004a_100000761399_100000211909 [0,0,0,1,0,1|1,0,0]=3 11782 B12R1.317 CCCC(C)N1CCCC1(C)C 34a_100000761399_100000766640 [0,0,0,1,0,1|1,0,0]=3 11783 B12R1.317 CCCC(C)N1CCSC1(C)C 2230a_100011217261_100000766640 [0,0,0,1,0,1|2,0,0]=4 11784 B12R1.317 CCCC(C)N1CCSC1(C)C 269982a_100011217261_100000766640 [0,0,0,1,0,1|2,0,0]=4 11785 B12R1.317 CCCC(C)N1CCSC1(C)C 270004a_100011217261_100000211909 [0,0,0,1,0,1|2,0,0]=4 11786 B12R1.317 CCCC(C)N1CCSC1(C)C 34a_100011217261_100000766640 [0,0,0,1,0,1|2,0,0]=4 11787 B12R1.317 CCCC(C)N1COCC1(C)C 2230a_100000043020_100000766640 [0,0,0,1,0,1|2,0,0]=4 11788 B12R1.317 CCCC(C)N1COCC1(C)C 269982a_100000043020_100000766640 [0,0,0,1,0,1|2,0,0]=4 11789 B12R1.317 CCCC(C)N1COCC1(C)C 270004a_100000043020_100000211909 [0,0,0,1,0,1|2,0,0]=4 11790 B12R1.317 COCC(C)N1CCCC1(C)C 2230a_100000761399_100000765312 [0,0,0,1,0,1|2,0,0]=4 11791 B12R1.317 COCC(C)N1CCCC1(C)C 269982a_100000761399_100000765312 [0,0,0,1,0,1|2,0,0]=4 11792 B12R1.317 COCC(C)N1CCCC1(C)C 270004a_100000761399_100000749346 [0,0,0,1,0,1|2,0,0]=4 11793 B12R1.317 COCC(C)N1CCCC1(C)C 34a_100000761399_100000765312 [0,0,0,1,0,1|2,0,0]=4 11794 B12R1.317 CSCC(C)N1CCCC1(C)C 270004a_100000761399_100011216314 [0,0,0,1,0,1|2,0,0]=4 11795 B12R1.467 C=C1CC(C1)CNC(C)CCO 2230a_100102567296_100009893172 [0,0,0,1,0,1|0,0,2]=4 11796 B12R1.467 C=C1CC(C1)CNC(C)CCO 34a_100102567296_100009893172 [0,0,0,1,0,1|0,0,2]=4 11797 B12R1.467 C=C1CC(C1)COC(C)CCO 34a_100011011225_100009893172 [0,0,0,1,0,1|0,0,2]=4 11798 B12R1.467 CC(CCO)NCC1CC(C1)O 2230a_100016992100_100009893172 [0,0,0,1,0,1|1,0,0]=3 11799 B12R1.467 CC(CCO)OCC1CC(=O)C1 34a_100000101936_100009893172 [0,0,0,1,0,1|1,0,1]=4 11800 B12R1.467 CC(CCO)OCC1CC(C1)Cl 34a_100009874164_100009893172 [0,0,0,1,0,1|1,0,0]=3 11801 B12R1.467 CC(CCO)SCC1CC(=O)C1 62a_100009874392_100009893172 [0,0,0,1,0,1|1,0,1]=4 11802 B12R1.467 CC(CCO)SCC1CC(=O)C1 62a_100009893172_100009874392 [0,0,0,1,0,1|1,0,1]=4 11803 B12R1.467 CCCC(C)CNC1CC(C1)F 2230a_100016993743_100011216630 [0,0,0,1,0,1|2,0,0]=4 11804 B12R1.467 CCCC(C)CNC1CC(C1)F 270004a_100016993743_100000243154 [0,0,0,1,0,1|2,0,0]=4 11805 B12R1.467 CCCC(C)CNC1CN(C1)C 270004a_100015196640_100000243154 [0,0,0,1,0,1|2,0,0]=4 11806 B12R1.467 CCCC(C)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011216630 [0,0,0,1,0,1|2,0,0]=4 11807 B12R1.467 CCCC(C)CN[C@H]1C[C@@H](C1)O 270004a_100020629032_100000243154 [0,0,0,1,0,1|2,0,0]=4 11808 B12R1.467 CCCC(C)NCC1CC(C1)O 2230a_100016992100_100000766640 [0,0,0,1,0,1|2,0,0]=4 11809 B12R1.467 CCCC(C)NCC1CC(C1)O 270004a_100016992100_100000211909 [0,0,0,1,0,1|2,0,0]=4 11810 B12R1.467 CCCC(C)NCC1CN(C1)C 270004a_100000723568_100000211909 [0,0,0,1,0,1|2,0,0]=4 11811 B12R1.467 CCCC(C)OCC1CC(C1)Cl 34a_100009874164_100000766640 [0,0,0,1,0,1|2,0,0]=4 11812 B12R1.467 C[C@H](CCO)NCC1CC(=O)C1 2230a_100000706166_100009874392 [0,0,0,1,0,1|1,0,1]=4 11813 B12R1.878 CC(C)N1CCCN(CC1C)C 269982a_100011935175_100000210206 [0,0,0,1,0,1|2,0,0]=4 11814 B12R1.1020 CC(C)CN1CCCC(CC1)C 2230a_100025706717_100000210760 [0,0,0,1,0,1|1,0,0]=3 11815 B12R1.1020 CC(C)CN1CCCC(CC1)C 269982a_100025706717_100000210624 [0,0,0,1,0,1|1,0,0]=3 11816 B12R1.1020 CC(C)CN1CCCC(CC1)C 270004a_100025706717_100000210432 [0,0,0,1,0,1|1,0,0]=3 11817 B12R1.1020 CC(C)CN1CCCC(CC1)C 34a_100025706717_100000210624 [0,0,0,1,0,1|1,0,0]=3 11818 B12R1.1020 CC(C)CN1CCCC(CC1)O 2230a_100015186869_100000210760 [0,0,0,1,0,1|2,0,0]=4 11819 B12R1.1020 CC(C)CN1CCCC(CC1)O 269982a_100015186869_100000210624 [0,0,0,1,0,1|2,0,0]=4 11820 B12R1.1020 CC(C)CN1CCCC(CC1)O 270004a_100015186869_100000210432 [0,0,0,1,0,1|2,0,0]=4 11821 B12R1.1020 CC(C)CN1CCCN(CC1)C 2230a_100000211313_100000210760 [0,0,0,1,0,1|2,0,0]=4 11822 B12R1.1020 CC(C)CN1CCCN(CC1)C 2230a_100015187271_200000210301 [0,0,0,1,0,1|2,0,0]=4 11823 B12R1.1020 CC(C)CN1CCCN(CC1)C 269982a_100000211313_100000210624 [0,0,0,1,0,1|2,0,0]=4 11824 B12R1.1020 CC(C)CN1CCCN(CC1)C 269982a_100015187271_200000210301 [0,0,0,1,0,1|2,0,0]=4 11825 B12R1.1020 CC(C)CN1CCCN(CC1)C 270004a_100000211313_100000210432 [0,0,0,1,0,1|2,0,0]=4 11826 B12R1.1020 CC(C)CN1CCCN(CC1)[13CH3] 2230a_100015187271_200025704644 [0,0,0,1,0,1|2,0,0]=4 11827 B12R1.1020 CC(C)CN1CCCN(CC1)[13CH3] 269982a_100015187271_200025704644 [0,0,0,1,0,1|2,0,0]=4 11828 B12R1.1020 CC(O)CN1CCCC(CC1)C 2230a_100025706717_100011218427 [0,0,0,1,0,1|2,0,0]=4 11829 B12R1.1020 CC(O)CN1CCCC(CC1)C 269982a_100025706717_100011218427 [0,0,0,1,0,1|2,0,0]=4 11830 B12R1.1020 CC(O)CN1CCCC(CC1)C 34a_100025706717_100011218427 [0,0,0,1,0,1|2,0,0]=4 11831 B12R1.1020 CC1CCCN(CC1)C[C@@H](C)O 2230a_100025706717_100009817552 [0,0,0,1,0,1|2,0,0]=4 11832 B12R1.1020 CC1CCCN(CC1)C[C@@H](C)O 269982a_100025706717_100009817552 [0,0,0,1,0,1|2,0,0]=4 11833 B12R1.1020 CC1CCCN(CC1)C[C@@H](C)O 34a_100025706717_100009817552 [0,0,0,1,0,1|2,0,0]=4 11834 B12R1.1356 CC(C)CCCCC(=O)C1CO1 1458a_100000701028_100011216152 [0,0,0,1,0,1|1,0,1]=4 11835 B12R1.1356 CC(C)CCCCN(C)C1CC1 2230a_100000226674_100011216152 [0,0,0,1,0,1|2,0,0]=4 11836 B12R1.1356 CC(C)CCCCN(C)C1CC1 269982a_100000226674_100011216152 [0,0,0,1,0,1|2,0,0]=4 11837 B12R1.1356 CC(C)CCCNC(=O)C1CO1 11a_200000737386_100000701028 [0,0,0,1,0,1|1,0,1]=4 11838 B12R1.1356 CC(C)CCCNC(=O)C1CO1 1626a_200000737386_100000701028 [0,0,0,1,0,1|1,0,1]=4 11839 B12R1.1356 CC(C)CCCNC(=O)C1CO1 240690a_200000737386_100000701028 [0,0,0,1,0,1|1,0,1]=4 11840 B12R1.1356 CC(C)CCCNC(=O)C1CO1 527a_200000737386_100000701028 [0,0,0,1,0,1|1,0,1]=4 11841 B12R1.1356 CC(C)CCCNC(C)C1CC1 2230a_100000700016_100011214892 [0,0,0,1,0,1|1,0,0]=3 11842 B12R1.1356 CC(C)CCCNC(C)C1CC1 269862a_200000737386_100000210639 [0,0,0,1,0,1|1,0,0]=3 11843 B12R1.1356 CC(C)CCCNC(C)C1CC1 34a_100000700016_100011214892 [0,0,0,1,0,1|1,0,0]=3 11844 B12R1.1356 CC(C)CCCNC(C)C1CO1 270004a_200000737386_100000031964 [0,0,0,1,0,1|0,0,0]=2 11845 B12R1.1356 CC(C)CCCOC(C)C1CC1 34a_100000744524_100011214892 [0,0,0,1,0,1|1,0,0]=3 11846 B12R1.1356 CC(C)CCCOC(C)C1CC1 7a_100000744524_100011214892 [0,0,0,1,0,1|1,0,0]=3 11847 B12R1.1356 CC(C)CCNCC(O)C1CC1 2230a_100000751198_100000210312 [0,0,0,1,0,1|2,0,0]=4 11848 B12R1.1356 CC(C)CCNCC(O)C1CC1 34a_100000751198_100000210312 [0,0,0,1,0,1|2,0,0]=4 11849 B12R1.1356 CC(C)CCOC[C@H](N)C1CC1 34a_100020623730_100000210312 [0,0,0,1,0,1|2,0,0]=4 11850 B12R1.1356 CC(C)OCCNC(C)C1CC1 2230a_100000700016_100000211751 [0,0,0,1,0,1|2,0,0]=4 11851 B12R1.1356 CC(C)OCCNC(C)C1CC1 269862a_100000701111_100000210639 [0,0,0,1,0,1|2,0,0]=4 11852 B12R1.1356 CC(C)OCCNC(C)C1CC1 34a_100000700016_100000211751 [0,0,0,1,0,1|2,0,0]=4 11853 B12R1.1356 CC(C)OCCNC(C)C1CO1 270004a_100000701111_100000031964 [0,0,0,1,0,1|1,0,0]=3 11854 B12R1.1356 CC(C)OCCOC(C)C1CC1 34a_100000744524_100000211751 [0,0,0,1,0,1|2,0,0]=4 11855 B12R1.1356 CC(C)OCCOC(C)C1CC1 7a_100000744524_100000211751 [0,0,0,1,0,1|2,0,0]=4 11856 B12R1.1356 CC(C)SCCNC(C)C1CC1 2230a_100000700016_100000730970 [0,0,0,1,0,1|2,0,0]=4 11857 B12R1.1356 CC(C)SCCNC(C)C1CC1 269862a_100000731138_100000210639 [0,0,0,1,0,1|2,0,0]=4 11858 B12R1.1356 CC(C)SCCNC(C)C1CC1 34a_100000700016_100000730970 [0,0,0,1,0,1|2,0,0]=4 11859 B12R1.1356 CC(C)SCCNC(C)C1CO1 270004a_100000731138_100000031964 [0,0,0,1,0,1|1,0,0]=3 11860 B12R1.1356 CC(C)SCCOC(C)C1CC1 34a_100000744524_100000730970 [0,0,0,1,0,1|2,0,0]=4 11861 B12R1.1356 CC(C)SCCOC(C)C1CC1 7a_100000744524_100000730970 [0,0,0,1,0,1|2,0,0]=4 11862 B12R1.1356 CC(NCCCN(C)C)C1CC1 269862a_102531767803_100000210639 [0,0,0,1,0,1|2,0,0]=4 11863 B12R1.1356 CC(NCCCN(C)C)C1CO1 270004a_102531767803_100000031964 [0,0,0,1,0,1|1,0,0]=3 11864 B12R1.1356 CC(NCCCS(=O)C)C1CO1 270004a_200000753449_100000031964 [0,0,0,1,0,1|2,0,0]=4 11865 B12R1.1356 CC(O)CCCNC(C)C1CC1 2230a_100000700016_200000718107 [0,0,0,1,0,1|2,0,0]=4 11866 B12R1.1356 CC(O)CCCNC(C)C1CC1 34a_100000700016_200000718107 [0,0,0,1,0,1|2,0,0]=4 11867 B12R1.1356 CC(O)CCCOC(C)C1CC1 34a_100000744524_200000718107 [0,0,0,1,0,1|2,0,0]=4 11868 B12R1.1356 CC(O)CCCOC(C)C1CC1 7a_100000744524_200000718107 [0,0,0,1,0,1|2,0,0]=4 11869 B12R1.1356 CC(OCCCN(C)C)C1CC1 7a_100000744524_100000757444 [0,0,0,1,0,1|2,0,0]=4 11870 B12R1.1443 CC1(COCCN(C1)CCO)O 2230a_100011091861_100000211926 [0,0,0,1,0,1|2,0,0]=4 11871 B12R1.1443 CC1(COCCN(C1)CCO)O 269982a_100011091861_100000211926 [0,0,0,1,0,1|2,0,0]=4 11872 B12R1.1505 CCCC(C)COCC1CC1C 34a_100000744939_100011216630 [0,0,0,1,0,1|1,0,0]=3 11873 B12R1.1505 CCCC(C)COCC1CC1C 7a_100000744939_100011216630 [0,0,0,1,0,1|1,0,0]=3 11874 B12R1.1572 CC(CC#N)OCC1CC1(C)C 7a_100000728257_100009813641 [0,0,0,1,0,1|1,0,1]=4 11875 B12R1.1572 CC(CCO)OCC1CC1(C)C 34a_100000728257_100009893172 [0,0,0,1,0,1|0,0,0]=2 11876 B12R1.1572 CC(CCO)OCC1CC1(C)C 7a_100000728257_100009893172 [0,0,0,1,0,1|0,0,0]=2 11877 B12R1.1572 CC(CCO)OCC1CC1(F)F 34a_100000056500_100009893172 [0,0,0,1,0,1|2,0,0]=4 11878 B12R1.1572 CC(CCO)OCC1CC1(F)F 7a_100000056500_100009893172 [0,0,0,1,0,1|2,0,0]=4 11879 B12R1.1572 CC(CCO)OCC1OC1(C)C 34a_200010283642_100009893172 [0,0,0,1,0,1|1,0,0]=3 11880 B12R1.1572 CC(CCO)OCC1OC1(C)C 7a_200010283642_100009893172 [0,0,0,1,0,1|1,0,0]=3 11881 B12R1.1572 CC(CCO)SCC1CC1(F)F 62a_100009817841_100009893172 [0,0,0,1,0,1|2,0,0]=4 11882 B12R1.1572 CC(CCO)SCC1CC1(F)F 62a_100009893172_100009817841 [0,0,0,1,0,1|2,0,0]=4 11883 B12R1.1572 CCCC(C)OCC1CC1(C)C 34a_100000728257_100000766640 [0,0,0,1,0,1|1,0,0]=3 11884 B12R1.1572 CCCC(C)OCC1CC1(C)C 7a_100000728257_100000766640 [0,0,0,1,0,1|1,0,0]=3 11885 B12R1.1572 CCCC(C)OCC1OC1(C)C 34a_200010283642_100000766640 [0,0,0,1,0,1|2,0,0]=4 11886 B12R1.1572 CCCC(C)OCC1OC1(C)C 7a_200010283642_100000766640 [0,0,0,1,0,1|2,0,0]=4 11887 B12R1.1572 COCC(C)OCC1CC1(C)C 34a_100000728257_100000765312 [0,0,0,1,0,1|2,0,0]=4 11888 B12R1.1572 COCC(C)OCC1CC1(C)C 7a_100000728257_100000765312 [0,0,0,1,0,1|2,0,0]=4 11889 B12R1.1572 C[C@H](CCO)NCC1CC1(F)F 2230a_100000706166_100009817841 [0,0,0,1,0,1|2,0,0]=4 11890 B12R1.1572 C[C@H](CCO)NCC1CC1(F)F 34a_100000706166_100009817841 [0,0,0,1,0,1|2,0,0]=4 11891 B12R1.2795 CC(Br)CCOCC1(CCC1)C 34a_100009893172_100000726658 [0,0,0,1,0,1|2,0,0]=4 11892 B12R1.2795 CC(C)CCCNC1(CCC1)C 2230a_100000692455_100011214892 [0,0,0,1,0,1|1,0,0]=3 11893 B12R1.2795 CC(C)CCCNC1(CCC1)C 34a_100000692455_100011214892 [0,0,0,1,0,1|1,0,0]=3 11894 B12R1.2795 CC(C)CCCNC1(COC1)C 2230a_100000732644_100011214892 [0,0,0,1,0,1|2,0,0]=4 11895 B12R1.2795 CC(C)CCCOC1(CCC1)C 34a_100000759064_100011214892 [0,0,0,1,0,1|1,0,0]=3 11896 B12R1.2795 CC(C)CCCOC1(CCC1)C 7a_100000759064_100011214892 [0,0,0,1,0,1|1,0,0]=3 11897 B12R1.2795 CC(C)CCCOC1(CSC1)C 7a_100016018533_100011214892 [0,0,0,1,0,1|2,0,0]=4 11898 B12R1.2795 CC(C)CCNCC1(CCC1)C 2230a_100000706607_100000210312 [0,0,0,1,0,1|1,0,0]=3 11899 B12R1.2795 CC(C)CCNCC1(CCC1)C 269862a_100000706607_100000185833 [0,0,0,1,0,1|1,0,0]=3 11900 B12R1.2795 CC(C)CCNCC1(CCC1)O 2230a_100000752638_100000210312 [0,0,0,1,0,1|2,0,0]=4 11901 B12R1.2795 CC(C)CCNCC1(CCC1)O 269862a_100000752638_100000185833 [0,0,0,1,0,1|2,0,0]=4 11902 B12R1.2795 CC(C)CCNCC1(COC1)C 2230a_100020631278_100000210312 [0,0,0,1,0,1|2,0,0]=4 11903 B12R1.2795 CC(C)CCNCC1(COC1)C 269862a_100000210545_100000050806 [0,0,0,1,0,1|2,0,0]=4 11904 B12R1.2795 CC(C)CCNCC1(COC1)C 269862a_100020631278_100000185833 [0,0,0,1,0,1|2,0,0]=4 11905 B12R1.2795 CC(C)CCOCC1(CCC1)C 34a_100000210254_100000726658 [0,0,0,1,0,1|1,0,0]=3 11906 B12R1.2795 CC(C)CCOCC1(CCC1)C 7a_100000210254_100000726658 [0,0,0,1,0,1|1,0,0]=3 11907 B12R1.2795 CC(C)CCOCC1(COC1)C 34a_100000210254_100009817586 [0,0,0,1,0,1|2,0,0]=4 11908 B12R1.2795 CC(C)CCOCC1(COC1)C 7a_100000210254_100009817586 [0,0,0,1,0,1|2,0,0]=4 11909 B12R1.2795 CC(C)CCOCC1(CSC1)C 34a_100000732658_100000210312 [0,0,0,1,0,1|2,0,0]=4 11910 B12R1.2795 CC(C)CCOCC1(CSC1)C 7a_100000732658_100000210626 [0,0,0,1,0,1|2,0,0]=4 11911 B12R1.2795 CC(C)CCSCC1(CCC1)C 62a_100000210312_100000726658 [0,0,0,1,0,1|1,0,0]=3 11912 B12R1.2795 CC(C)CCSCC1(CCC1)C 62a_100000726658_100000210312 [0,0,0,1,0,1|1,0,0]=3 11913 B12R1.2795 CC(C)CCSCC1(COC1)C 62a_100000210312_100009817586 [0,0,0,1,0,1|2,0,0]=4 11914 B12R1.2795 CC(C)CCSCC1(COC1)C 62a_100009817586_100000210312 [0,0,0,1,0,1|2,0,0]=4 11915 B12R1.2795 CC(C)OCCNC1(CCC1)C 2230a_100000692455_100000211751 [0,0,0,1,0,1|2,0,0]=4 11916 B12R1.2795 CC(C)OCCNC1(CCC1)C 34a_100000692455_100000211751 [0,0,0,1,0,1|2,0,0]=4 11917 B12R1.2795 CC(C)OCCOC1(CCC1)C 34a_100000759064_100000211751 [0,0,0,1,0,1|2,0,0]=4 11918 B12R1.2795 CC(C)OCCOC1(CCC1)C 7a_100000759064_100000211751 [0,0,0,1,0,1|2,0,0]=4 11919 B12R1.2795 CC(C)OCNCC1(CCC1)C 2230a_100000706607_100000709892 [0,0,0,1,0,1|2,0,0]=4 11920 B12R1.2795 CC(C)OCSCC1(CCC1)C 62a_100000709892_100000726658 [0,0,0,1,0,1|2,0,0]=4 11921 B12R1.2795 CC(C)OCSCC1(CCC1)C 62a_100000726658_100000709892 [0,0,0,1,0,1|2,0,0]=4 11922 B12R1.2795 CC(C)SCCNC1(CCC1)C 2230a_100000692455_100000730970 [0,0,0,1,0,1|2,0,0]=4 11923 B12R1.2795 CC(C)SCCNC1(CCC1)C 34a_100000692455_100000730970 [0,0,0,1,0,1|2,0,0]=4 11924 B12R1.2795 CC(C)SCCOC1(CCC1)C 34a_100000759064_100000730970 [0,0,0,1,0,1|2,0,0]=4 11925 B12R1.2795 CC(C)SCCOC1(CCC1)C 7a_100000759064_100000730970 [0,0,0,1,0,1|2,0,0]=4 11926 B12R1.2795 CC(O)CCCNC1(CCC1)C 2230a_100000692455_200000718107 [0,0,0,1,0,1|2,0,0]=4 11927 B12R1.2795 CC(O)CCCNC1(CCC1)C 34a_100000692455_200000718107 [0,0,0,1,0,1|2,0,0]=4 11928 B12R1.2795 CC(O)CCCOC1(CCC1)C 34a_100000759064_200000718107 [0,0,0,1,0,1|2,0,0]=4 11929 B12R1.2795 CC(O)CCCOC1(CCC1)C 7a_100000759064_200000718107 [0,0,0,1,0,1|2,0,0]=4 11930 B12R1.2795 CC(O)CCNCC1(CCC1)C 2230a_100000706607_100012276601 [0,0,0,1,0,1|2,0,0]=4 11931 B12R1.2795 CC(O)CCNCC1(CCC1)C 2230a_200000755665_100000726658 [0,0,0,1,0,1|2,0,0]=4 11932 B12R1.2795 CC(O)CCSCC1(CCC1)C 62a_100000726658_100012276601 [0,0,0,1,0,1|2,0,0]=4 11933 B12R1.2795 CC(O)CCSCC1(CCC1)C 62a_100012276601_100000726658 [0,0,0,1,0,1|2,0,0]=4 11934 B12R1.2795 CN(C)CCCOC1(CCC1)C 7a_100000759064_100000757444 [0,0,0,1,0,1|2,0,0]=4 11935 B12R1.2795 CN(C)CCSCC1(CCC1)C 62a_100000726658_100000755713 [0,0,0,1,0,1|2,0,0]=4 11936 B12R1.2795 C[C@@H](N)CCOCC1(CCC1)C 34a_100000706166_100000726658 [0,0,0,1,0,1|2,0,0]=4 11937 B12R1.42 CCNC1CC(CC(C1)(C)C)C 2230a_100011207991_100000210202 [0,1,0,1,0,0|2,0,0]=4 11938 B12R1.42 CCNC1CC(CC(C1)(C)C)C 270004a_100015525214_100000209998 [0,1,0,1,0,0|2,0,0]=4 11939 B12R1.101 CC(C)CN1CC(CC(C1)C)C 2230a_100000210448_100000210760 [0,1,0,1,0,0|2,0,0]=4 11940 B12R1.101 CC(C)CN1CC(CC(C1)C)C 269982a_100000210448_100000210624 [0,1,0,1,0,0|2,0,0]=4 11941 B12R1.101 CC(C)CN1CC(CC(C1)C)C 270004a_100000210448_100000210432 [0,1,0,1,0,0|2,0,0]=4 11942 B12R1.101 CC(C)CN1CC(CC(C1)C)C 34a_100000210448_100000210624 [0,1,0,1,0,0|2,0,0]=4 11943 B12R1.144 CC(C)CC(=O)C1CCCC1C 1458a_100000690547_100000210624 [0,1,0,1,0,0|1,0,1]=4 11944 B12R1.144 CC(C)CC(C)N1CCC[C@@H]1C 2230a_100020605311_100000731052 [0,1,0,1,0,0|2,0,0]=4 11945 B12R1.144 CC(C)CC(C)N1CCC[C@@H]1C 269982a_100020605311_100000731052 [0,1,0,1,0,0|2,0,0]=4 11946 B12R1.144 CC(C)CC(C)N1CCC[C@H]1C 2230a_100015189458_100000731052 [0,1,0,1,0,0|2,0,0]=4 11947 B12R1.144 CC(C)CC(C)N1CCC[C@H]1C 269982a_100015189458_100000731052 [0,1,0,1,0,0|2,0,0]=4 11948 B12R1.144 CC(C)CC(C)N1CCC[C@H]1C 34a_100015189458_100000731052 [0,1,0,1,0,0|2,0,0]=4 11949 B12R1.260 CC(C)CC(=O)CC1CCCC1 1458a_100000210554_100000740388 [0,1,0,1,0,0|1,0,1]=4 11950 B12R1.260 CC(C)CC(=O)CC1CCCC1 1458a_100000210891_100000210624 [0,1,0,1,0,0|1,0,1]=4 11951 B12R1.260 CC(C)CC(=O)CC1CCOC1 1458a_100000210554_100000702531 [0,1,0,1,0,0|0,0,1]=3 11952 B12R1.260 CC(C)CC(=O)CC1CCOC1 1458a_100011218419_100000210624 [0,1,0,1,0,0|0,0,1]=3 11953 B12R1.260 CC(C)CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210554 [0,1,0,1,0,0|1,0,1]=4 11954 B12R1.260 CC(C)CC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210554 [0,1,0,1,0,0|1,0,1]=4 11955 B12R1.260 CC(C)CC(=O)N[C@H]1CCOC1 11a_100015188467_100000210554 [0,1,0,1,0,0|1,0,1]=4 11956 B12R1.260 CC(C)CC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210554 [0,1,0,1,0,0|1,0,1]=4 11957 B12R1.260 CC(C)CC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210554 [0,1,0,1,0,0|1,0,1]=4 11958 B12R1.260 CC(C)CC(=O)N[C@H]1CCOC1 527a_100015188467_100000210554 [0,1,0,1,0,0|1,0,1]=4 11959 B12R1.260 CC(C)CC(C)NC1CCCC1 2230a_100000211070_100000731052 [0,1,0,1,0,0|2,0,0]=4 11960 B12R1.260 CC(C)CC(C)NC1CCCC1 2230a_100000692259_100000179811 [0,1,0,1,0,0|2,0,0]=4 11961 B12R1.260 CC(C)CC(C)NC1CCCC1 270004a_100000692259_100000210133 [0,1,0,1,0,0|2,0,0]=4 11962 B12R1.260 CC(C)CC(C)NC1CCCC1 34a_100000211070_100000731052 [0,1,0,1,0,0|2,0,0]=4 11963 B12R1.260 CC(C)CC(C)NC1CCOC1 2230a_100000692259_100000731011 [0,1,0,1,0,0|1,0,0]=3 11964 B12R1.260 CC(C)CC(C)NC1CCOC1 270004a_100000692259_100000752484 [0,1,0,1,0,0|1,0,0]=3 11965 B12R1.260 CC(C)CC(C)NC1CCSC1 270004a_100000692259_100000212027 [0,1,0,1,0,0|1,1,0]=4 11966 B12R1.260 CC(C)CC(C)N[C@@H]1CCOC1 2230a_200015188469_100000731052 [0,1,0,1,0,0|1,0,0]=3 11967 B12R1.260 CC(C)CC(C)N[C@H]1CCOC1 2230a_100015188467_100000731052 [0,1,0,1,0,0|1,0,0]=3 11968 B12R1.260 CC(C)CC(C)N[C@H]1CCOC1 34a_100015188467_100000731052 [0,1,0,1,0,0|1,0,0]=3 11969 B12R1.260 CC(C)CC(C)OC1CCCC1 34a_100000210269_100000731052 [0,1,0,1,0,0|2,0,0]=4 11970 B12R1.260 CC(C)CC(C)OC1CCCC1 34a_100000211805_100000179811 [0,1,0,1,0,0|2,0,0]=4 11971 B12R1.260 CC(C)CC(C)OC1CCCC1 7a_100000210269_100000731052 [0,1,0,1,0,0|2,0,0]=4 11972 B12R1.260 CC(C)CC(C)OC1CCCC1 7a_100000211805_100000179811 [0,1,0,1,0,0|2,0,0]=4 11973 B12R1.260 CC(C)CC(C)OC1CCOC1 34a_100000211805_100000690089 [0,1,0,1,0,0|1,0,0]=3 11974 B12R1.260 CC(C)CC(C)OC1CCOC1 7a_100000211805_100000731011 [0,1,0,1,0,0|1,0,0]=3 11975 B12R1.260 CC(C)CC(C)OC1CCSC1 7a_100011232664_100000731052 [0,1,0,1,0,0|1,1,0]=4 11976 B12R1.260 CC(C)CC(C)O[C@H]1CCOC1 34a_100000717292_100000731052 [0,1,0,1,0,0|1,0,0]=3 11977 B12R1.260 CC(C)CC(C)SC1CCCC1 62a_100000731052_100000179811 [0,1,0,1,0,0|2,0,0]=4 11978 B12R1.260 CC(C)CC(C)SC1CCCC1 62a_100011217020_100000731052 [0,1,0,1,0,0|2,0,0]=4 11979 B12R1.260 CC(C)CC(C)SC1CCOC1 62a_100000731052_100000690089 [0,1,0,1,0,0|1,0,0]=3 11980 B12R1.260 CC(C)CN(C)CC1CCCC1 2230a_100000747067_100000740388 [0,1,0,1,0,0|2,0,0]=4 11981 B12R1.260 CC(C)CN(C)CC1CCCC1 269982a_100000747067_100000740388 [0,1,0,1,0,0|2,0,0]=4 11982 B12R1.260 CC(C)CN(C)CC1CCOC1 2230a_100000684583_100000210760 [0,1,0,1,0,0|1,0,0]=3 11983 B12R1.260 CC(C)CN(C)CC1CCOC1 2230a_100000747067_100000702531 [0,1,0,1,0,0|1,0,0]=3 11984 B12R1.260 CC(C)CN(C)CC1CCOC1 269982a_100000684583_100000210624 [0,1,0,1,0,0|1,0,0]=3 11985 B12R1.260 CC(C)CN(C)CC1CCOC1 269982a_100000747067_100000702531 [0,1,0,1,0,0|1,0,0]=3 11986 B12R1.260 CC(C)CN(C)CC1CCOC1 270004a_100000684583_100000210432 [0,1,0,1,0,0|1,0,0]=3 11987 B12R1.260 CC(C)CN(C)CC1CCOC1 34a_100000684583_100000210624 [0,1,0,1,0,0|1,0,0]=3 11988 B12R1.260 CC(C)NC(=O)CC1CCOC1 11a_100138425928_100011218419 [0,1,0,1,0,0|1,0,1]=4 11989 B12R1.260 CC(C)NC(=O)CC1CCOC1 1626a_100138425928_100011218419 [0,1,0,1,0,0|1,0,1]=4 11990 B12R1.260 CC(C)NC(=O)CC1CCOC1 240690a_100138425928_100011218419 [0,1,0,1,0,0|1,0,1]=4 11991 B12R1.260 CC(C)NC(=O)CC1CCOC1 527a_100138425928_100011218419 [0,1,0,1,0,0|1,0,1]=4 11992 B12R1.260 CC(CN(C)C)SC1CCOC1 62a_100020606517_100000690089 [0,1,0,1,0,0|2,0,0]=4 11993 B12R1.260 CC(O)CC(=O)CC1CCOC1 1458a_100011218419_100011218427 [0,1,0,1,0,0|1,0,1]=4 11994 B12R1.260 CC(O)CN(C)CC1CCOC1 2230a_100000227577_100000702531 [0,1,0,1,0,0|2,0,0]=4 11995 B12R1.260 CC(O)CN(C)CC1CCOC1 2230a_100000684583_100011218427 [0,1,0,1,0,0|2,0,0]=4 11996 B12R1.260 CC(O)CN(C)CC1CCOC1 269982a_100000227577_100000702531 [0,1,0,1,0,0|2,0,0]=4 11997 B12R1.260 CC(O)CN(C)CC1CCOC1 269982a_100000684583_100011218427 [0,1,0,1,0,0|2,0,0]=4 11998 B12R1.260 CC(O)CN(C)CC1CCOC1 34a_100000684583_100011218427 [0,1,0,1,0,0|2,0,0]=4 11999 B12R1.260 CN(C)CC(=O)CC1CCOC1 1458a_100000750896_100000702531 [0,1,0,1,0,0|1,0,1]=4 12000 B12R1.260 C[C@@H](O)CC(=O)CC1CCOC1 1458a_100011933948_100000702531 [0,1,0,1,0,0|1,0,1]=4 12001 B12R1.260 C[C@@H](O)CN(C)CC1CCOC1 2230a_100000684583_100009817552 [0,1,0,1,0,0|2,0,0]=4 12002 B12R1.260 C[C@@H](O)CN(C)CC1CCOC1 269982a_100000684583_100009817552 [0,1,0,1,0,0|2,0,0]=4 12003 B12R1.260 C[C@@H](O)CN(C)CC1CCOC1 34a_100000684583_100009817552 [0,1,0,1,0,0|2,0,0]=4 12004 B12R1.260 C[S+](C)CC(=O)CC1CCOC1 1458a_200159257847_100000702531 [0,1,0,1,0,0|1,0,1]=4 12005 B12R1.521 CC(CC1CC1)N[C@H](C)CCO 270004a_100000706166_200000686933 [0,1,0,1,0,0|1,0,0]=3 12006 B12R1.521 CCCC(C)CC(=O)CC1CC1 1458a_100000738066_100011216630 [0,1,0,1,0,0|1,0,1]=4 12007 B12R1.521 CCCC(C)CC(=O)CC1CC1 1458a_100000748435_100000742324 [0,1,0,1,0,0|1,0,1]=4 12008 B12R1.521 CCCC(C)CN(C)CC1CC1 2230a_100000741881_100011216630 [0,1,0,1,0,0|2,0,0]=4 12009 B12R1.521 CCCC(C)CN(C)CC1CC1 269982a_100000741881_100011216630 [0,1,0,1,0,0|2,0,0]=4 12010 B12R1.521 CCCC(C)CN(C)CC1CC1 270004a_100000741881_100000243154 [0,1,0,1,0,0|2,0,0]=4 12011 B12R1.521 CCCC(C)NC(C)CC1CC1 270004a_100000741246_200000686933 [0,1,0,1,0,0|2,0,0]=4 12012 B12R1.521 C[C@H](CCO)NC(=O)CC1CC1 240690a_100000706166_100000738066 [0,1,0,1,0,0|1,0,1]=4 12013 B12R1.521 C[C@H](CCO)NC(=O)CC1CC1 527a_100000706166_100000738066 [0,1,0,1,0,0|1,0,1]=4 12014 B12R1.1061 CC(C)CC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000210554 [0,1,0,1,0,0|1,0,1]=4 12015 B12R1.1061 CC(C)CC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000210554 [0,1,0,1,0,0|1,0,1]=4 12016 B12R1.1061 CC(C)CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210554 [0,1,0,1,0,0|1,0,1]=4 12017 B12R1.1061 CC(C)CC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000210554 [0,1,0,1,0,0|1,0,1]=4 12018 B12R1.1061 CC(C)CC(C)NC1CC(C1)F 2230a_100016993743_100000731052 [0,1,0,1,0,0|2,0,0]=4 12019 B12R1.1061 CC(C)CC(C)N[C@H]1C[C@@H](C1)O 2230a_100020629032_100000731052 [0,1,0,1,0,0|1,0,0]=3 12020 B12R1.1061 CC(CN(C)C)CN1CC(C1)O 269982a_100000749847_100015348159 [0,1,0,1,0,0|2,0,0]=4 12021 B12R1.1620 CC(CCO)NC1CC(C1)(F)F 2230a_100000756238_100009893172 [0,1,0,1,0,0|2,0,0]=4 12022 B12R1.1620 CC(CCO)N[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100009893172 [0,1,0,1,0,0|1,0,0]=3 12023 B12R1.1620 CC(CCO)OC1CC(C1)(F)F 34a_100000144188_100009893172 [0,1,0,1,0,0|2,0,0]=4 12024 B12R1.1620 CC(CCO)SC1CC(C1)(F)F 62a_100010741680_100009893172 [0,1,0,1,0,0|2,0,0]=4 12025 B12R1.1620 CCCC(C)CN1CC(C1)(C)C 2230a_100000753659_100011216630 [0,1,0,1,0,0|2,0,0]=4 12026 B12R1.1620 CCCC(C)CN1CC(C1)(C)C 269982a_100000753659_100011216630 [0,1,0,1,0,0|2,0,0]=4 12027 B12R1.1620 CCCC(C)CN1CC(C1)(C)C 270004a_100000753659_100000243154 [0,1,0,1,0,0|2,0,0]=4 12028 B12R1.1620 CCCC(C)CN1CC(C1)(C)F 2230a_100000696199_100011216630 [0,1,0,1,0,0|2,0,0]=4 12029 B12R1.1620 CCCC(C)CN1CC(C1)(C)F 269982a_100000696199_100011216630 [0,1,0,1,0,0|2,0,0]=4 12030 B12R1.1620 CCCC(C)CN1CC(C1)(C)F 270004a_100000696199_100000243154 [0,1,0,1,0,0|2,0,0]=4 12031 B12R1.1620 CCCC(C)CN1CC(C1)(C)O 2230a_100000718560_100011216630 [0,1,0,1,0,0|2,0,0]=4 12032 B12R1.1620 CCCC(C)CN1CC(C1)(C)O 269982a_100000718560_100011216630 [0,1,0,1,0,0|2,0,0]=4 12033 B12R1.1620 CCCC(C)CN1CC(C1)(C)O 270004a_100000718560_100000243154 [0,1,0,1,0,0|2,0,0]=4 12034 B12R1.1620 CCCC(C)N[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000766640 [0,1,0,1,0,0|2,0,0]=4 12035 B12R1.1620 CCCC(C)N[C@H]1C[C@@](C1)(C)O 270004a_100121572536_100000211909 [0,1,0,1,0,0|2,0,0]=4 12036 B12R1.1620 CN(CCO)CC1CC(C1)(F)F 2230a_100000210263_100009886855 [0,1,0,1,0,0|2,0,0]=4 12037 B12R1.1620 CN(CCO)CC1CC(C1)(F)F 269982a_100000210263_100009886855 [0,1,0,1,0,0|2,0,0]=4 12038 B12R1.1620 C[C@H](CCO)NC1CC(C1)(F)F 270004a_100000706166_100000144187 [0,1,0,1,0,0|2,0,0]=4 12039 B12R1.1620 C[C@H](CCO)NC1CC(C1)(F)F 34a_100000706166_100010741680 [0,1,0,1,0,0|2,0,0]=4 12040 B12R1.1811 CC(C)CC(C)NC(C)C1CC1 2230a_100000700016_100000731052 [0,1,0,1,0,0|2,0,0]=4 12041 B12R1.1811 CC(C)CC(C)NC(C)C1CC1 269862a_100000692259_100000210639 [0,1,0,1,0,0|2,0,0]=4 12042 B12R1.1811 CC(C)CC(C)NC(C)C1CC1 34a_100000700016_100000731052 [0,1,0,1,0,0|2,0,0]=4 12043 B12R1.1811 CC(C)CC(C)NC(C)C1CO1 270004a_100000692259_100000031964 [0,1,0,1,0,0|1,0,0]=3 12044 B12R1.1811 CC(C)CC(C)OC(C)C1CC1 34a_100000744524_100000731052 [0,1,0,1,0,0|2,0,0]=4 12045 B12R1.1811 CC(C)CC(C)OC(C)C1CC1 7a_100000744524_100000731052 [0,1,0,1,0,0|2,0,0]=4 12046 B12R1.2686 CC(C)CC(=O)CC1(CCC1)C 1458a_100000210554_100000726658 [0,1,0,1,0,0|1,0,1]=4 12047 B12R1.2686 CC(C)CC(C)NC1(CCC1)C 2230a_100000692455_100000731052 [0,1,0,1,0,0|2,0,0]=4 12048 B12R1.2686 CC(C)CC(C)NC1(CCC1)C 34a_100000692455_100000731052 [0,1,0,1,0,0|2,0,0]=4 12049 B12R1.2686 CC(C)CC(C)OC1(CCC1)C 34a_100000759064_100000731052 [0,1,0,1,0,0|2,0,0]=4 12050 B12R1.2686 CC(C)CC(C)OC1(CCC1)C 7a_100000759064_100000731052 [0,1,0,1,0,0|2,0,0]=4 12051 B12R1.2686 CC(C)CN(C)CC1(CCC1)C 2230a_100000747067_100000726658 [0,1,0,1,0,0|2,0,0]=4 12052 B12R1.2686 CC(C)CN(C)CC1(CCC1)C 269982a_100000747067_100000726658 [0,1,0,1,0,0|2,0,0]=4 12053 B12R1.3418 CC1CC1C(=O)N[C@H](C)CCO 527a_100000706166_100000211227 [0,1,0,1,0,0|1,0,1]=4 12054 B12R1.3418 CCCC(C)CC(=O)C1CC1C 1458a_100000211227_100011216630 [0,1,0,1,0,0|1,0,1]=4 12055 B12R1.103 CC(C)CC(C)N1CC[C@H](C1)C 2230a_100016987628_100000731052 [0,1,0,1,0,0|2,0,0]=4 12056 B12R1.103 CC(C)CC(C)N1CC[C@H](C1)C 269982a_100016987628_100000731052 [0,1,0,1,0,0|2,0,0]=4 12057 B12R1.103 CC(C)CC(C)N1CC[C@H](C1)C 34a_100016987628_100000731052 [0,1,0,1,0,0|2,0,0]=4 12058 B12R1.103 CC(C)CN(C)C1CCC(C1)C 270004a_100000747067_100011215218 [0,1,0,1,0,0|2,0,0]=4 12059 B12R1.103 CC(O)CN(C)C1CCC(C1)C 270004a_100000227577_100011215218 [0,1,0,1,0,0|1,0,0]=3 12060 B12R1.103 CC(O)CN(C)C1CCC(C1)O 270004a_100000227577_100012614533 [0,1,0,1,0,0|2,0,0]=4 12061 B12R1.103 CC(O)CN(C)C1CCN(C1)C 2230a_103436538152_100011218427 [0,1,0,1,0,0|2,0,0]=4 12062 B12R1.103 CC(O)CN(C)C1CCN(C1)C 269982a_100000227577_200012183744 [0,1,0,1,0,0|2,0,0]=4 12063 B12R1.103 CC(O)CN(C)C1CCN(C1)C 269982a_103436538152_100011218427 [0,1,0,1,0,0|2,0,0]=4 12064 B12R1.103 C[C@@H](O)CN(C)C1CCN(C1)C 2230a_103436538152_100009817552 [0,1,0,1,0,0|2,0,0]=4 12065 B12R1.103 C[C@@H](O)CN(C)C1CCN(C1)C 269982a_103436538152_100009817552 [0,1,0,1,0,0|2,0,0]=4 12066 B12R1.105 CC(C)CCCN1CCC(C1)O 2230a_100011215560_100011214892 [0,1,0,1,0,0|1,0,0]=3 12067 B12R1.105 CC(C)CCCN1CCC(C1)O 269982a_100011215560_100011214892 [0,1,0,1,0,0|1,0,0]=3 12068 B12R1.105 CC(C)CCCN1CC[C@@H](C1)F 2230a_100015203821_100011214892 [0,1,0,1,0,0|2,0,0]=4 12069 B12R1.105 CC(C)CCCN1CC[C@@H](C1)F 269982a_100015203821_100011214892 [0,1,0,1,0,0|2,0,0]=4 12070 B12R1.105 CC(C)CCCN1CC[C@@H](C1)F 34a_100015203821_100011214892 [0,1,0,1,0,0|2,0,0]=4 12071 B12R1.105 CC(C)CCCN1CC[C@H](C1)C 2230a_100016987628_100011214892 [0,1,0,1,0,0|2,0,0]=4 12072 B12R1.105 CC(C)CCCN1CC[C@H](C1)C 269982a_100016987628_100011214892 [0,1,0,1,0,0|2,0,0]=4 12073 B12R1.105 CC(C)CCCN1CC[C@H](C1)C 34a_100016987628_100011214892 [0,1,0,1,0,0|2,0,0]=4 12074 B12R1.105 CC(C)CCNC1CCC(C1)C 270004a_100000210545_100011215218 [0,1,0,1,0,0|2,0,0]=4 12075 B12R1.105 CC(C)CCNC1CCC(C1)O 270004a_100000210545_100012614533 [0,1,0,1,0,0|1,0,0]=3 12076 B12R1.105 CC(C)CCNC1CCN(C1)C 269862a_100000744687_100000185833 [0,1,0,1,0,0|2,0,0]=4 12077 B12R1.105 CC(C)CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210312 [0,1,0,1,0,0|1,0,0]=3 12078 B12R1.105 CC(C)CCN[C@H]1CC[C@H](C1)O 269862a_100015195300_100000185833 [0,1,0,1,0,0|1,0,0]=3 12079 B12R1.105 CC(C)CCOC1CCC(=O)C1 34a_100012614533_100000210312 [0,1,0,1,0,0|1,0,1]=4 12080 B12R1.105 CC(C)CCOC1CCC(C1)C 34a_100000698185_100000210312 [0,1,0,1,0,0|2,0,0]=4 12081 B12R1.105 CC(C)CCOC1CCN(C1)C 7a_100000210254_200012183744 [0,1,0,1,0,0|2,0,0]=4 12082 B12R1.105 CC(C)CCSC1CCN(C1)C 62a_100000210312_200012183744 [0,1,0,1,0,0|2,0,0]=4 12083 B12R1.105 CC(C)CNCC1CCN(C1)C 34a_100000210953_200000690779 [0,1,0,1,0,0|2,0,0]=4 12084 B12R1.105 CC(C)COCC1CCN(C1)C 34a_100000210257_200000690779 [0,1,0,1,0,0|2,0,0]=4 12085 B12R1.105 CC(C)COC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000210624 [0,1,0,1,0,0|2,0,0]=4 12086 B12R1.105 CC(C)CSCC1CCN(C1)C 62a_100000210624_200000690779 [0,1,0,1,0,0|2,0,0]=4 12087 B12R1.105 CC(C)CSCC1CCN(C1)C 62a_200000690779_100000210760 [0,1,0,1,0,0|2,0,0]=4 12088 B12R1.105 CC(C)OCCN1CCC(C1)O 2230a_100011215560_100000211751 [0,1,0,1,0,0|2,0,0]=4 12089 B12R1.105 CC(C)OCCN1CCC(C1)O 269982a_100011215560_100000211751 [0,1,0,1,0,0|2,0,0]=4 12090 B12R1.105 CC(C)OCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000709892 [0,1,0,1,0,0|2,0,0]=4 12091 B12R1.105 CC(C)SCCN1CCC(C1)O 2230a_100011215560_100000730970 [0,1,0,1,0,0|2,0,0]=4 12092 B12R1.105 CC(C)SCCN1CCC(C1)O 269982a_100011215560_100000730970 [0,1,0,1,0,0|2,0,0]=4 12093 B12R1.105 CC(O)CCCN1CCC(C1)O 2230a_100011215560_200000718107 [0,1,0,1,0,0|2,0,0]=4 12094 B12R1.105 CC(O)CCCN1CCC(C1)O 269982a_100011215560_200000718107 [0,1,0,1,0,0|2,0,0]=4 12095 B12R1.105 CC(O)CCNC1CCC(C1)O 270004a_200000755665_100012614533 [0,1,0,1,0,0|2,0,0]=4 12096 B12R1.105 CC(O)CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100012276601 [0,1,0,1,0,0|2,0,0]=4 12097 B12R1.105 CN(C)CCCN1CCC(C1)O 269982a_100011215560_100000757444 [0,1,0,1,0,0|2,0,0]=4 12098 B12R1.105 CN(C)CCNC1CCC(C1)O 270004a_100000210585_100012614533 [0,1,0,1,0,0|2,0,0]=4 12099 B12R1.142 CC(C)CC(C)OCC1CC1C 34a_100000744939_100000731052 [0,1,0,1,0,0|2,0,0]=4 12100 B12R1.142 CC(C)CC(C)OCC1CC1C 7a_100000744939_100000731052 [0,1,0,1,0,0|2,0,0]=4 12101 B12R1.389 CC(C)N1CCC(C1)CC(=O)O 269956a_100000719201_100000210206 [0,1,0,1,0,0|1,0,1]=4 12102 B12R1.389 CC(O)CN1CC[C@@H](C1)N(C)C 2230a_100016988096_100011218427 [0,1,0,1,0,0|2,0,0]=4 12103 B12R1.389 CC(O)CN1CC[C@@H](C1)N(C)C 269982a_100016988096_100011218427 [0,1,0,1,0,0|2,0,0]=4 12104 B12R1.389 C[C@@H](O)CN1CC[C@@H](C1)N(C)C 2230a_100016988096_100009817552 [0,1,0,1,0,0|2,0,0]=4 12105 B12R1.389 C[C@@H](O)CN1CC[C@@H](C1)N(C)C 269982a_100016988096_100009817552 [0,1,0,1,0,0|2,0,0]=4 12106 B12R1.1359 CC(C)CCCC(=O)CC1CO1 1458a_100011216857_100011216344 [0,1,0,1,0,0|1,0,1]=4 12107 B12R1.1359 CC(C)CCCC(=O)C[C@@H]1CO1 1458a_100011216857_100000745022 [0,1,0,1,0,0|1,0,1]=4 12108 B12R1.1359 CC(C)CCCC(C)OC1CC1 34a_200011218570_100000211595 [0,1,0,1,0,0|1,0,0]=3 12109 B12R1.1359 CC(C)CCCN(C)CC1CC1 2230a_100000741881_100011214892 [0,1,0,1,0,0|2,0,0]=4 12110 B12R1.1359 CC(C)CCCN(C)CC1CC1 269982a_100000741881_100011214892 [0,1,0,1,0,0|2,0,0]=4 12111 B12R1.1359 CC(C)CCNC(C)CC1CC1 270004a_100000210545_200000686933 [0,1,0,1,0,0|2,0,0]=4 12112 B12R1.1359 CN(C)CCCN(C)CC1CO1 269982a_100000225831_102125554688 [0,1,0,1,0,0|2,0,0]=4 12113 B12R1.1359 CN(C)CCCN(C)C[C@@H]1CO1 269982a_100000225831_100000745022 [0,1,0,1,0,0|2,0,0]=4 12114 B12R1.1377 CC(C)CC(C)NCCC1CC1 2230a_100000692259_100000694398 [0,1,0,1,0,0|2,0,0]=4 12115 B12R1.1377 CC(C)CC(C)NCCC1CC1 34a_100000764129_100000731052 [0,1,0,1,0,0|2,0,0]=4 12116 B12R1.1377 CC(C)CC(C)OCCC1CC1 34a_100000211805_100000694398 [0,1,0,1,0,0|2,0,0]=4 12117 B12R1.1377 CC(C)CC(C)OCCC1CC1 34a_100000754188_100000731052 [0,1,0,1,0,0|2,0,0]=4 12118 B12R1.1377 CC(C)CC(C)OCCC1CC1 7a_100000211805_100000764125 [0,1,0,1,0,0|2,0,0]=4 12119 B12R1.1377 CC(C)CC(C)OCCC1CC1 7a_100000754188_100000731052 [0,1,0,1,0,0|2,0,0]=4 12120 B12R1.1377 CC(C)CC(C)SCCC1CC1 62a_100000731052_100000764125 [0,1,0,1,0,0|2,0,0]=4 12121 B12R1.1377 CC(C)CC(C)SCCC1CC1 62a_100000764125_100000731052 [0,1,0,1,0,0|2,0,0]=4 12122 B12R1.1377 CC(O)CN(C)CCCC1CO1 2230a_100000227577_100000733510 [0,1,0,1,0,0|2,0,0]=4 12123 B12R1.1377 CC(O)CN(C)CCCC1CO1 269982a_100000227577_100000733510 [0,1,0,1,0,0|2,0,0]=4 12124 B12R1.1394 CC(C)CC1CN(C1)CC(C)C 2230a_214813039686_100000210760 [0,1,0,1,0,0|2,0,0]=4 12125 B12R1.1394 CC(C)CC1CN(C1)CC(C)C 269982a_214813039686_100000210624 [0,1,0,1,0,0|2,0,0]=4 12126 B12R1.1394 CC(C)CC1CN(C1)CC(C)C 270004a_214813039686_100000210432 [0,1,0,1,0,0|2,0,0]=4 12127 B12R1.1394 CC(C)CC1CN(C1)CC(C)C 34a_214813039686_100000210624 [0,1,0,1,0,0|2,0,0]=4 12128 B12R1.1394 CC(C)CC1CN(C1)CC(C)O 2230a_214813039686_100011218427 [0,1,0,1,0,0|1,0,0]=3 12129 B12R1.1394 CC(C)CC1CN(C1)CC(C)O 269982a_214813039686_100011218427 [0,1,0,1,0,0|1,0,0]=3 12130 B12R1.1394 CC(C)CC1CN(C1)CC(C)O 34a_214813039686_100011218427 [0,1,0,1,0,0|1,0,0]=3 12131 B12R1.1394 CC(C)CC1CN(C1)CC(F)F 2230a_214813039686_100011934356 [0,1,0,1,0,0|2,0,0]=4 12132 B12R1.1394 CC(C)CC1CN(C1)CC(F)F 269982a_214813039686_100011934356 [0,1,0,1,0,0|2,0,0]=4 12133 B12R1.1394 CC(C)CC1CN(C1)CC(F)F 34a_214813039686_100011934356 [0,1,0,1,0,0|2,0,0]=4 12134 B12R1.1394 CC(C)CC1CN(C1)C[C@@H](C)O 2230a_214813039686_100009817552 [0,1,0,1,0,0|1,0,0]=3 12135 B12R1.1394 CC(C)CC1CN(C1)C[C@@H](C)O 269982a_214813039686_100009817552 [0,1,0,1,0,0|1,0,0]=3 12136 B12R1.1394 CC(C)CC1CN(C1)C[C@@H](C)O 34a_214813039686_100009817552 [0,1,0,1,0,0|1,0,0]=3 12137 B12R1.1394 CC(C)CN1CC(C1)CC(=O)O 269956a_100016993960_100000210760 [0,1,0,1,0,0|1,0,1]=4 12138 B12R1.1394 CC(C)OC1CN(C1)C[C@@H](C)O 2230a_100000698322_100009817552 [0,1,0,1,0,0|2,0,0]=4 12139 B12R1.1394 CC(C)OC1CN(C1)C[C@@H](C)O 269982a_100000698322_100009817552 [0,1,0,1,0,0|2,0,0]=4 12140 B12R1.1394 CC(C)OC1CN(C1)C[C@@H](C)O 34a_100000698322_100009817552 [0,1,0,1,0,0|2,0,0]=4 12141 B12R1.1394 CC(O)CN1CC(C1)CN(C)C 269982a_100015199603_100011218427 [0,1,0,1,0,0|2,0,0]=4 12142 B12R1.1394 CC(O)CN1CC(C1)OC(C)C 2230a_100000698322_100011218427 [0,1,0,1,0,0|2,0,0]=4 12143 B12R1.1394 CC(O)CN1CC(C1)OC(C)C 269982a_100000698322_100011218427 [0,1,0,1,0,0|2,0,0]=4 12144 B12R1.1394 CC(O)CN1CC(C1)OC(C)C 34a_100000698322_100011218427 [0,1,0,1,0,0|2,0,0]=4 12145 B12R1.1394 C[C@@H](O)CN1CC(C1)CN(C)C 269982a_100015199603_100009817552 [0,1,0,1,0,0|2,0,0]=4 12146 B12R1.1810 CC(C)CCCN1CC(C1)(C)C 2230a_100000753659_100011214892 [0,1,0,1,0,0|2,0,0]=4 12147 B12R1.1810 CC(C)CCCN1CC(C1)(C)C 269982a_100000753659_100011214892 [0,1,0,1,0,0|2,0,0]=4 12148 B12R1.1810 CC(C)CCCN1CC(C1)(C)F 2230a_100000696199_100011214892 [0,1,0,1,0,0|2,0,0]=4 12149 B12R1.1810 CC(C)CCCN1CC(C1)(C)F 269982a_100000696199_100011214892 [0,1,0,1,0,0|2,0,0]=4 12150 B12R1.1810 CC(C)CCCN1CC(C1)(C)O 2230a_100000718560_100011214892 [0,1,0,1,0,0|1,0,0]=3 12151 B12R1.1810 CC(C)CCCN1CC(C1)(C)O 269982a_100000718560_100011214892 [0,1,0,1,0,0|1,0,0]=3 12152 B12R1.1810 CC(C)CCCN1CC(C1)(F)F 2230a_100000684464_100011214892 [0,1,0,1,0,0|2,0,0]=4 12153 B12R1.1810 CC(C)CCCN1CC(C1)(F)F 269982a_100000684464_100011214892 [0,1,0,1,0,0|2,0,0]=4 12154 B12R1.1810 CC(C)CCNC1CC(C1)(F)F 2230a_100000756238_100000210312 [0,1,0,1,0,0|2,0,0]=4 12155 B12R1.1810 CC(C)CCNC1CC(C1)(F)F 270004a_100000210545_100000144187 [0,1,0,1,0,0|2,0,0]=4 12156 B12R1.1810 CC(C)CCN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000210312 [0,1,0,1,0,0|1,0,0]=3 12157 B12R1.1810 CC(C)CCN[C@H]1C[C@@](C1)(C)O 269862a_100121572536_100000185833 [0,1,0,1,0,0|1,0,0]=3 12158 B12R1.1810 CC(C)CCOC1CC(C1)(F)F 34a_100000144188_100000210312 [0,1,0,1,0,0|2,0,0]=4 12159 B12R1.1810 CC(C)CCOC1CC(C1)(F)F 34a_100000210254_100010741680 [0,1,0,1,0,0|2,0,0]=4 12160 B12R1.1810 CC(C)CCOC1CC(C1)(F)F 7a_100000210254_100010741680 [0,1,0,1,0,0|2,0,0]=4 12161 B12R1.1810 CC(C)CCSC1CC(C1)(F)F 62a_100010741680_100000210312 [0,1,0,1,0,0|2,0,0]=4 12162 B12R1.1810 CC(C)CNCC1CC(C1)(F)F 2230a_100000210953_100009886855 [0,1,0,1,0,0|2,0,0]=4 12163 B12R1.1810 CC(C)CNCC1CC(C1)(F)F 2230a_100000734121_100000210760 [0,1,0,1,0,0|2,0,0]=4 12164 B12R1.1810 CC(C)CNCC1CC(C1)(F)F 270004a_100000734121_100000210432 [0,1,0,1,0,0|2,0,0]=4 12165 B12R1.1810 CC(C)CNCC1CC(C1)(F)F 34a_100000210953_100009886855 [0,1,0,1,0,0|2,0,0]=4 12166 B12R1.1810 CC(C)CNCC1CC(C1)(F)F 34a_100000734121_100000210624 [0,1,0,1,0,0|2,0,0]=4 12167 B12R1.1810 CC(C)CNC[C@H]1C[C@@](C1)(C)O 2230a_100015257651_100000210760 [0,1,0,1,0,0|1,0,0]=3 12168 B12R1.1810 CC(C)CNC[C@H]1C[C@@](C1)(C)O 270004a_100015257651_100000210432 [0,1,0,1,0,0|1,0,0]=3 12169 B12R1.1810 CC(C)COCC1CC(C1)(F)F 34a_100000060036_100000210624 [0,1,0,1,0,0|2,0,0]=4 12170 B12R1.1810 CC(C)COCC1CC(C1)(F)F 34a_100000210257_100009886855 [0,1,0,1,0,0|2,0,0]=4 12171 B12R1.1810 CC(C)CSCC1CC(C1)(F)F 62a_100000210624_100009886855 [0,1,0,1,0,0|2,0,0]=4 12172 B12R1.1810 CC(C)CSCC1CC(C1)(F)F 62a_100009886855_100000210760 [0,1,0,1,0,0|2,0,0]=4 12173 B12R1.1810 CC(C)OCCN1CC(C1)(C)O 2230a_100000718560_100000211751 [0,1,0,1,0,0|2,0,0]=4 12174 B12R1.1810 CC(C)OCCN1CC(C1)(C)O 269982a_100000718560_100000211751 [0,1,0,1,0,0|2,0,0]=4 12175 B12R1.1810 CC(C)OCN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000709892 [0,1,0,1,0,0|2,0,0]=4 12176 B12R1.1810 CC(C)SCCN1CC(C1)(C)O 2230a_100000718560_100000730970 [0,1,0,1,0,0|2,0,0]=4 12177 B12R1.1810 CC(C)SCCN1CC(C1)(C)O 269982a_100000718560_100000730970 [0,1,0,1,0,0|2,0,0]=4 12178 B12R1.1810 CC(O)CCCN1CC(C1)(C)O 2230a_100000718560_200000718107 [0,1,0,1,0,0|2,0,0]=4 12179 B12R1.1810 CC(O)CCCN1CC(C1)(C)O 269982a_100000718560_200000718107 [0,1,0,1,0,0|2,0,0]=4 12180 B12R1.1810 CC(O)CCN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100012276601 [0,1,0,1,0,0|2,0,0]=4 12181 B12R1.1810 CC(O)CNC[C@H]1C[C@@](C1)(C)O 2230a_100015257651_100011218427 [0,1,0,1,0,0|2,0,0]=4 12182 B12R1.1810 CN(C)CCCN1CC(C1)(C)O 269982a_100000718560_100000757444 [0,1,0,1,0,0|2,0,0]=4 12183 B12R1.1810 C[C@@H](O)CNC[C@H]1C[C@@](C1)(C)O 2230a_100015257651_100009817552 [0,1,0,1,0,0|2,0,0]=4 12184 B12R1.1821 CC(C)CN1CCCC(C1)(C)C 2230a_100000716857_100000210760 [0,1,0,1,0,0|2,0,0]=4 12185 B12R1.1821 CC(C)CN1CCCC(C1)(C)C 269982a_100000716857_100000210624 [0,1,0,1,0,0|2,0,0]=4 12186 B12R1.1821 CC(C)CN1CCCC(C1)(C)C 270004a_100000716857_100000210432 [0,1,0,1,0,0|2,0,0]=4 12187 B12R1.1821 CC(C)CN1CCCC(C1)(C)C 34a_100000716857_100000210624 [0,1,0,1,0,0|2,0,0]=4 12188 B12R1.1821 CC(C)CN1CCCC(C1)(C)O 2230a_100000695535_100000210760 [0,1,0,1,0,0|2,0,0]=4 12189 B12R1.1821 CC(C)CN1CCCC(C1)(C)O 269982a_100000695535_100000210624 [0,1,0,1,0,0|2,0,0]=4 12190 B12R1.1821 CC(C)CN1CCCC(C1)(C)O 270004a_100000695535_100000210432 [0,1,0,1,0,0|2,0,0]=4 12191 B12R1.1821 CC(C)OC1CCCC(C1)(C)C 7a_100011995757_100000210206 [0,1,0,1,0,0|2,0,0]=4 12192 B12R1.1821 CC(O)CN1CCCC(C1)(C)C 2230a_100000716857_100011218427 [0,1,0,1,0,0|1,0,0]=3 12193 B12R1.1821 CC(O)CN1CCCC(C1)(C)C 269982a_100000716857_100011218427 [0,1,0,1,0,0|1,0,0]=3 12194 B12R1.1821 CC(O)CN1CCCC(C1)(C)C 34a_100000716857_100011218427 [0,1,0,1,0,0|1,0,0]=3 12195 B12R1.1821 CC(O)CN1CCCC(C1)(C)O 2230a_100000695535_100011218427 [0,1,0,1,0,0|2,0,0]=4 12196 B12R1.1821 CC(O)CN1CCCC(C1)(C)O 269982a_100000695535_100011218427 [0,1,0,1,0,0|2,0,0]=4 12197 B12R1.1821 CC(O)CN1CCOC(C1)(C)C 2230a_100000738910_100011218427 [0,1,0,1,0,0|2,0,0]=4 12198 B12R1.1821 CC(O)CN1CCOC(C1)(C)C 269982a_100000738910_100011218427 [0,1,0,1,0,0|2,0,0]=4 12199 B12R1.1821 CC(O)CN1CCOC(C1)(C)C 34a_100000738910_100011218427 [0,1,0,1,0,0|2,0,0]=4 12200 B12R1.1821 CC1(CCCN(C1)CC(F)F)C 2230a_100000716857_100011934356 [0,1,0,1,0,0|2,0,0]=4 12201 B12R1.1821 CC1(CCCN(C1)CC(F)F)C 269982a_100000716857_100011934356 [0,1,0,1,0,0|2,0,0]=4 12202 B12R1.1821 CC1(CCCN(C1)CC(F)F)C 34a_100000716857_100011934356 [0,1,0,1,0,0|2,0,0]=4 12203 B12R1.1821 C[C@@H](O)CN1CCCC(C1)(C)C 2230a_100000716857_100009817552 [0,1,0,1,0,0|1,0,0]=3 12204 B12R1.1821 C[C@@H](O)CN1CCCC(C1)(C)C 269982a_100000716857_100009817552 [0,1,0,1,0,0|1,0,0]=3 12205 B12R1.1821 C[C@@H](O)CN1CCCC(C1)(C)C 34a_100000716857_100009817552 [0,1,0,1,0,0|1,0,0]=3 12206 B12R1.1821 C[C@@H](O)CN1CCCC(C1)(C)O 2230a_100000695535_100009817552 [0,1,0,1,0,0|2,0,0]=4 12207 B12R1.1821 C[C@@H](O)CN1CCCC(C1)(C)O 269982a_100000695535_100009817552 [0,1,0,1,0,0|2,0,0]=4 12208 B12R1.1821 C[C@@H](O)CN1CCOC(C1)(C)C 2230a_100000738910_100009817552 [0,1,0,1,0,0|2,0,0]=4 12209 B12R1.1821 C[C@@H](O)CN1CCOC(C1)(C)C 269982a_100000738910_100009817552 [0,1,0,1,0,0|2,0,0]=4 12210 B12R1.1821 C[C@@H](O)CN1CCOC(C1)(C)C 34a_100000738910_100009817552 [0,1,0,1,0,0|2,0,0]=4 12211 B12R1.3583 CC(C)CCNC1(CC1(F)F)C 2230a_100032004205_100000210312 [0,1,0,1,0,0|2,0,0]=4 12212 B12R1.3583 CC(C)COCC1(CC1(F)F)C 7a_100011028592_100000210760 [0,1,0,1,0,0|2,0,0]=4 12213 B12R1.2 CCCC(CC)N1CC[C@H](C1)C 269982a_100016987628_100011219200 [0,1,0,1,0,0|2,0,0]=4 12214 B12R1.2 CCCC(CC)N1CC[C@H](C1)C 270004a_100016987628_100000687865 [0,1,0,1,0,0|2,0,0]=4 12215 B12R1.2 CCCN(CC)C1CCC(C1)C 270004a_100000226822_100011215218 [0,1,0,1,0,0|2,0,0]=4 12216 B12R1.2 CCN(CCO)C1CCC(C1)C 270004a_100000210973_100011215218 [0,1,0,1,0,0|1,0,0]=3 12217 B12R1.2 CCN(CCO)C1CCC(C1)O 270004a_100000210973_100012614533 [0,1,0,1,0,0|2,0,0]=4 12218 B12R1.2 CCN(CCO)C1CCN(C1)C 269982a_100000210973_200012183744 [0,1,0,1,0,0|2,0,0]=4 12219 B12R1.81 CC(C)CCN1CCC[C@@H]1CO 2230a_100000745186_100000210312 [0,1,0,1,0,0|2,0,0]=4 12220 B12R1.81 CC(C)CCN1CCC[C@@H]1CO 269982a_100000745186_100000210312 [0,1,0,1,0,0|2,0,0]=4 12221 B12R1.81 CC(C)CCN1CCC[C@@H]1CO 34a_100000745186_100000210312 [0,1,0,1,0,0|2,0,0]=4 12222 B12R1.81 CCC1CCCC1NCC(C)C 269862a_100000210953_100000749056 [0,1,0,1,0,0|2,0,0]=4 12223 B12R1.81 CCC1CCCC1NCC(C)C 270004a_100000210953_100000749056 [0,1,0,1,0,0|2,0,0]=4 12224 B12R1.81 CCC1CCCN1CCC(C)C 2230a_100000754278_100000210312 [0,1,0,1,0,0|2,0,0]=4 12225 B12R1.81 CCC1CCCN1CCC(C)C 269982a_100000754278_100000210312 [0,1,0,1,0,0|2,0,0]=4 12226 B12R1.81 CCC1CCCN1CCC(C)C 34a_100000754278_100000210312 [0,1,0,1,0,0|2,0,0]=4 12227 B12R1.113 CC(C)C1CCC(CC1)CO[13CH3] 34a_200012184171_200025704644 [0,1,0,1,0,0|2,0,0]=4 12228 B12R1.113 CC(C)C1CCC(CC1)CO[13CH3] 7a_200012184171_200025704644 [0,1,0,1,0,0|2,0,0]=4 12229 B12R1.113 CC(C)C1CCC(CC1)NCF 34a_100011734324_100015361967 [0,1,0,1,0,0|2,0,0]=4 12230 B12R1.113 CC(C)C1CCC(CC1)OCF 34a_100011734483_100015361967 [0,1,0,1,0,0|2,0,0]=4 12231 B12R1.113 CC(C)C1CCC(CC1)OCF 7a_100011734483_100015361967 [0,1,0,1,0,0|2,0,0]=4 12232 B12R1.113 CC(C)C1CCN(CC1)CCF 2230a_100000762885_100011217306 [0,1,0,1,0,0|2,0,0]=4 12233 B12R1.113 CC(C)C1CCN(CC1)CCF 269982a_100000762885_100011217306 [0,1,0,1,0,0|2,0,0]=4 12234 B12R1.113 CC(C)C1CCN(CC1)CCF 34a_100000762885_100011217306 [0,1,0,1,0,0|2,0,0]=4 12235 B12R1.113 CC(C)C1CCN(CC1)CCO 2230a_100000762885_100000211926 [0,1,0,1,0,0|1,0,0]=3 12236 B12R1.113 CC(C)C1CCN(CC1)CCO 269982a_100000762885_100000211926 [0,1,0,1,0,0|1,0,0]=3 12237 B12R1.113 CC(C)C1CCN(CC1)CCO 34a_100000762885_100000211926 [0,1,0,1,0,0|1,0,0]=3 12238 B12R1.113 CC(C)N1CCC(CC1)CCO 2230a_100015190746_100000210206 [0,1,0,1,0,0|1,0,0]=3 12239 B12R1.113 CC(C)N1CCC(CC1)CCO 269982a_100015190746_100000210206 [0,1,0,1,0,0|1,0,0]=3 12240 B12R1.113 CC(C)N1CCC(CC1)CCO 34a_100015190746_100000210206 [0,1,0,1,0,0|1,0,0]=3 12241 B12R1.113 CC(C)N1CCN(CC1)CCO 2230a_100000210920_100000210206 [0,1,0,1,0,0|2,0,0]=4 12242 B12R1.113 CC(C)N1CCN(CC1)CCO 2230a_100000246833_100000211926 [0,1,0,1,0,0|2,0,0]=4 12243 B12R1.113 CC(C)N1CCN(CC1)CCO 269982a_100000210920_100000210206 [0,1,0,1,0,0|2,0,0]=4 12244 B12R1.113 CC(C)N1CCN(CC1)CCO 269982a_100000246833_100000211926 [0,1,0,1,0,0|2,0,0]=4 12245 B12R1.113 CC(O)C1CCN(CC1)CCO 2230a_100011728446_100000211926 [0,1,0,1,0,0|2,0,0]=4 12246 B12R1.113 CC(O)C1CCN(CC1)CCO 269982a_100011728446_100000211926 [0,1,0,1,0,0|2,0,0]=4 12247 B12R1.113 CC(O)C1CCN(CC1)CCO 34a_100011728446_100000211926 [0,1,0,1,0,0|2,0,0]=4 12248 B12R1.113 CCCC1CCC(CC1)N(C)C 270004a_100102631434_100000185488 [0,1,0,1,0,0|2,0,0]=4 12249 B12R1.113 CCCC1CCN(CC1)C(C)C 2230a_100015355601_100000210206 [0,1,0,1,0,0|2,0,0]=4 12250 B12R1.113 CCCC1CCN(CC1)C(C)C 269982a_100015355601_100000210206 [0,1,0,1,0,0|2,0,0]=4 12251 B12R1.113 CCCC1CCN(CC1)C(C)C 34a_100015355601_100000210206 [0,1,0,1,0,0|2,0,0]=4 12252 B12R1.113 CCCN1CCC(CC1)C(C)C 2230a_100000762885_100000210303 [0,1,0,1,0,0|2,0,0]=4 12253 B12R1.113 CCCN1CCC(CC1)C(C)C 269982a_100000762885_100000210303 [0,1,0,1,0,0|2,0,0]=4 12254 B12R1.113 CCCN1CCC(CC1)C(C)C 34a_100000762885_100000210303 [0,1,0,1,0,0|2,0,0]=4 12255 B12R1.113 CCNC1CCC(CC1)C(C)C 2230a_100011734324_100000210202 [0,1,0,1,0,0|2,0,0]=4 12256 B12R1.113 CCNC1CCC(CC1)C(C)C 270004a_100015525214_100000748182 [0,1,0,1,0,0|2,0,0]=4 12257 B12R1.113 CCNC1CCC(CC1)C(C)C 34a_100011734324_100000210202 [0,1,0,1,0,0|2,0,0]=4 12258 B12R1.113 CCOC1CCC(CC1)C(C)C 34a_100011734483_100000210202 [0,1,0,1,0,0|2,0,0]=4 12259 B12R1.113 CCOC1CCC(CC1)C(C)C 7a_100011734483_100000210202 [0,1,0,1,0,0|2,0,0]=4 12260 B12R1.113 CN(C)C1CCN(CC1)CCO 2230a_100011226131_100000211926 [0,1,0,1,0,0|2,0,0]=4 12261 B12R1.113 CN(C)C1CCN(CC1)CCO 269982a_100011226131_100000211926 [0,1,0,1,0,0|2,0,0]=4 12262 B12R1.113 COCC1CCC(CC1)C(C)C 34a_200012184171_200000210301 [0,1,0,1,0,0|2,0,0]=4 12263 B12R1.113 COCC1CCC(CC1)C(C)C 7a_200012184171_200000210301 [0,1,0,1,0,0|2,0,0]=4 12264 B12R1.138 CCCC(CC)NCCC1CC1 2230a_100000747048_100000694398 [0,1,0,1,0,0|2,0,0]=4 12265 B12R1.138 CCCC(CC)NCCC1CC1 270004a_100000764129_100000687865 [0,1,0,1,0,0|2,0,0]=4 12266 B12R1.138 CCCC(CC)OCCC1CC1 34a_100000687864_100000694398 [0,1,0,1,0,0|2,0,0]=4 12267 B12R1.138 CCCC(CC)OCCC1CC1 7a_100000687864_100000764125 [0,1,0,1,0,0|2,0,0]=4 12268 B12R1.138 CCCC(CC)OCCC1CC1 7a_100000754188_100011219200 [0,1,0,1,0,0|2,0,0]=4 12269 B12R1.138 CCCC(CC)SCCC1CC1 62a_100000764125_100011219200 [0,1,0,1,0,0|2,0,0]=4 12270 B12R1.138 CCCC(CC)SCCC1CC1 62a_100011219200_100000764125 [0,1,0,1,0,0|2,0,0]=4 12271 B12R1.138 CCCC(CCOC1CC1)SC 34a_100000032865_100000211595 [0,1,0,1,0,0|2,0,0]=4 12272 B12R1.138 CCC[C@@H](CO)NCCC1CC1 2230a_100000732646_100000694398 [0,1,0,1,0,0|2,0,0]=4 12273 B12R1.138 CCC[C@@H](CO)NCCC1CC1 34a_100000732646_100000694398 [0,1,0,1,0,0|2,0,0]=4 12274 B12R1.138 CCN(CCO)CCCC1CO1 2230a_100000210973_100000733510 [0,1,0,1,0,0|2,0,0]=4 12275 B12R1.138 CCN(CCO)CCCC1CO1 269982a_100000210973_100000733510 [0,1,0,1,0,0|2,0,0]=4 12276 B12R1.252 CC(Br)CCOC1CCCOC1 34a_100009893172_100000693364 [0,1,0,1,0,0|2,0,0]=4 12277 B12R1.252 CC(Br)COCC1CCCOC1 34a_100012180447_100000741521 [0,1,0,1,0,0|2,0,0]=4 12278 B12R1.252 CC(Br)COCC1CCOCC1 34a_100012180447_100000754603 [0,1,0,1,0,0|2,0,0]=4 12279 B12R1.252 CC(C)CCCN1CC=CCC1 2230a_100000698166_100011214892 [0,1,0,1,0,0|2,0,0]=4 12280 B12R1.252 CC(C)CCCN1CC=CCC1 269982a_100000698166_100011214892 [0,1,0,1,0,0|2,0,0]=4 12281 B12R1.252 CC(C)CCCN1CC=CCC1 34a_100000698166_100011214892 [0,1,0,1,0,0|2,0,0]=4 12282 B12R1.252 CC(C)CCCN1CCCOC1 2230a_100000131196_100011214892 [0,1,0,1,0,0|1,0,0]=3 12283 B12R1.252 CC(C)CCCN1CCCOC1 269982a_100000131196_100011214892 [0,1,0,1,0,0|1,0,0]=3 12284 B12R1.252 CC(C)CCCN1CCCOC1 34a_100000131196_100011214892 [0,1,0,1,0,0|1,0,0]=3 12285 B12R1.252 CC(C)CCCN1CCOCC1 2230a_100015191051_100011214892 [0,1,0,1,0,0|1,0,0]=3 12286 B12R1.252 CC(C)CCCN1CCOCC1 269982a_100015191051_100011214892 [0,1,0,1,0,0|1,0,0]=3 12287 B12R1.252 CC(C)CCCN1CCOCC1 34a_100015191051_100011214892 [0,1,0,1,0,0|1,0,0]=3 12288 B12R1.252 CC(C)CCCN1CCSCC1 2230a_100000737611_100011214892 [0,1,0,1,0,0|1,1,0]=4 12289 B12R1.252 CC(C)CCCN1CCSCC1 269982a_100000737611_100011214892 [0,1,0,1,0,0|1,1,0]=4 12290 B12R1.252 CC(C)CCNC1CCCCC1 2230a_100000182618_100000210312 [0,1,0,1,0,0|2,0,0]=4 12291 B12R1.252 CC(C)CCNC1CCCCC1 269862a_100000182618_100000185833 [0,1,0,1,0,0|2,0,0]=4 12292 B12R1.252 CC(C)CCNC1CCCCC1 270004a_100000210545_100000210434 [0,1,0,1,0,0|2,0,0]=4 12293 B12R1.252 CC(C)CCNC1CCCCC1 34a_100000182618_100000210312 [0,1,0,1,0,0|2,0,0]=4 12294 B12R1.252 CC(C)CCNC1CCCOC1 2230a_100000719290_100000210312 [0,1,0,1,0,0|1,0,0]=3 12295 B12R1.252 CC(C)CCNC1CCCOC1 269862a_100000719290_100000185833 [0,1,0,1,0,0|1,0,0]=3 12296 B12R1.252 CC(C)CCNC1CCCOC1 270004a_100000210545_100000753404 [0,1,0,1,0,0|1,0,0]=3 12297 B12R1.252 CC(C)CCNC1CCCOC1 34a_100000719290_100000210312 [0,1,0,1,0,0|1,0,0]=3 12298 B12R1.252 CC(C)CCNC1CCCSC1 270004a_100000210545_100000057913 [0,1,0,1,0,0|1,1,0]=4 12299 B12R1.252 CC(C)CCNC1CCNCC1 270004a_100000210545_100015192401 [0,1,0,1,0,0|2,0,0]=4 12300 B12R1.252 CC(C)CCNC1CCOCC1 2230a_100000741149_100000210312 [0,1,0,1,0,0|1,0,0]=3 12301 B12R1.252 CC(C)CCNC1CCOCC1 269862a_100000741149_100000185833 [0,1,0,1,0,0|1,0,0]=3 12302 B12R1.252 CC(C)CCNC1CCOCC1 270004a_100000210545_100011217826 [0,1,0,1,0,0|1,0,0]=3 12303 B12R1.252 CC(C)CCNC1CCOCC1 34a_100000741149_100000210312 [0,1,0,1,0,0|1,0,0]=3 12304 B12R1.252 CC(C)CCNC1CCSCC1 2230a_100000748639_100000210312 [0,1,0,1,0,0|1,1,0]=4 12305 B12R1.252 CC(C)CCNC1CCSCC1 269862a_100000748639_100000185833 [0,1,0,1,0,0|1,1,0]=4 12306 B12R1.252 CC(C)CCNC1CCSCC1 270004a_100000210545_100000203788 [0,1,0,1,0,0|1,1,0]=4 12307 B12R1.252 CC(C)CCNC1CCSCC1 34a_100000748639_100000210312 [0,1,0,1,0,0|1,1,0]=4 12308 B12R1.252 CC(C)CCOC1CC=CCC1 34a_100000073881_100000210312 [0,1,0,1,0,0|2,0,0]=4 12309 B12R1.252 CC(C)CCOC1CCCCC1 34a_100000210231_100000210312 [0,1,0,1,0,0|2,0,0]=4 12310 B12R1.252 CC(C)CCOC1CCCCC1 34a_100000210254_100000210327 [0,1,0,1,0,0|2,0,0]=4 12311 B12R1.252 CC(C)CCOC1CCCCC1 7a_100000210231_100000210626 [0,1,0,1,0,0|2,0,0]=4 12312 B12R1.252 CC(C)CCOC1CCCCC1 7a_100000210254_100000210327 [0,1,0,1,0,0|2,0,0]=4 12313 B12R1.252 CC(C)CCOC1CCCCO1 34a_100000033831_100000210312 [0,1,0,1,0,0|2,0,0]=4 12314 B12R1.252 CC(C)CCOC1CCCOC1 34a_100000210254_100000693364 [0,1,0,1,0,0|1,0,0]=3 12315 B12R1.252 CC(C)CCOC1CCCOC1 34a_100000754041_100000210312 [0,1,0,1,0,0|1,0,0]=3 12316 B12R1.252 CC(C)CCOC1CCCOC1 7a_100000210254_100000693364 [0,1,0,1,0,0|1,0,0]=3 12317 B12R1.252 CC(C)CCOC1CCCSC1 7a_100015962668_100000210626 [0,1,0,1,0,0|1,1,0]=4 12318 B12R1.252 CC(C)CCOC1CCOCC1 34a_100000744328_100000210312 [0,1,0,1,0,0|1,0,0]=3 12319 B12R1.252 CC(C)CCOC1CCOCC1 7a_100000210254_100000686592 [0,1,0,1,0,0|1,0,0]=3 12320 B12R1.252 CC(C)CCOC1CCSCC1 34a_100000210254_100000069128 [0,1,0,1,0,0|1,1,0]=4 12321 B12R1.252 CC(C)CCOC1CCSCC1 34a_100000731022_100000210312 [0,1,0,1,0,0|1,1,0]=4 12322 B12R1.252 CC(C)CCOC1CCSCC1 7a_100000210254_100011500858 [0,1,0,1,0,0|1,1,0]=4 12323 B12R1.252 CC(C)CCOC1CCSCC1 7a_100000731022_100000210626 [0,1,0,1,0,0|1,1,0]=4 12324 B12R1.252 CC(C)CCSC1CCCCC1 62a_100000210312_100000210327 [0,1,0,1,0,0|2,0,0]=4 12325 B12R1.252 CC(C)CCSC1CCCCC1 62a_100000210327_100000210312 [0,1,0,1,0,0|2,0,0]=4 12326 B12R1.252 CC(C)CCSC1CCCOC1 62a_100000210312_100000693364 [0,1,0,1,0,0|1,0,0]=3 12327 B12R1.252 CC(C)CCSC1CCOCC1 62a_100000210312_100011324220 [0,1,0,1,0,0|1,0,0]=3 12328 B12R1.252 CC(C)CCSC1CCSCC1 62a_100000210312_100000069128 [0,1,0,1,0,0|1,1,0]=4 12329 B12R1.252 CC(C)CNCC1CC=CCC1 270004a_100000210953_100000189434 [0,1,0,1,0,0|2,0,0]=4 12330 B12R1.252 CC(C)CNCC1CCCCC1 2230a_100000210473_100000210760 [0,1,0,1,0,0|2,0,0]=4 12331 B12R1.252 CC(C)CNCC1CCCCC1 2230a_100000210953_100000211423 [0,1,0,1,0,0|2,0,0]=4 12332 B12R1.252 CC(C)CNCC1CCCCC1 269862a_100000210953_100000211278 [0,1,0,1,0,0|2,0,0]=4 12333 B12R1.252 CC(C)CNCC1CCCCC1 270004a_100000210473_100000210432 [0,1,0,1,0,0|2,0,0]=4 12334 B12R1.252 CC(C)CNCC1CCCCC1 34a_100000210473_100000210624 [0,1,0,1,0,0|2,0,0]=4 12335 B12R1.252 CC(C)CNCC1CCCCC1 34a_100000210953_100000211423 [0,1,0,1,0,0|2,0,0]=4 12336 B12R1.252 CC(C)CNCC1CCCCO1 2230a_100000174945_100000210760 [0,1,0,1,0,0|2,0,0]=4 12337 B12R1.252 CC(C)CNCC1CCCCO1 2230a_100000210953_100000211543 [0,1,0,1,0,0|2,0,0]=4 12338 B12R1.252 CC(C)CNCC1CCCCO1 270004a_100000174945_100000210432 [0,1,0,1,0,0|2,0,0]=4 12339 B12R1.252 CC(C)CNCC1CCCCO1 34a_100000174945_100000210624 [0,1,0,1,0,0|2,0,0]=4 12340 B12R1.252 CC(C)CNCC1CCCCO1 34a_100000210953_100000211543 [0,1,0,1,0,0|2,0,0]=4 12341 B12R1.252 CC(C)CNCC1CCCOC1 2230a_100000210953_100000741521 [0,1,0,1,0,0|1,0,0]=3 12342 B12R1.252 CC(C)CNCC1CCCOC1 2230a_100000720124_100000210760 [0,1,0,1,0,0|1,0,0]=3 12343 B12R1.252 CC(C)CNCC1CCCOC1 270004a_100000720124_100000210432 [0,1,0,1,0,0|1,0,0]=3 12344 B12R1.252 CC(C)CNCC1CCCOC1 34a_100000210953_100000741521 [0,1,0,1,0,0|1,0,0]=3 12345 B12R1.252 CC(C)CNCC1CCCOC1 34a_100000720124_100000210624 [0,1,0,1,0,0|1,0,0]=3 12346 B12R1.252 CC(C)CNCC1CCOCC1 2230a_100000210953_100000754603 [0,1,0,1,0,0|1,0,0]=3 12347 B12R1.252 CC(C)CNCC1CCOCC1 2230a_100000746373_100000210760 [0,1,0,1,0,0|1,0,0]=3 12348 B12R1.252 CC(C)CNCC1CCOCC1 269862a_100000210953_100000749017 [0,1,0,1,0,0|1,0,0]=3 12349 B12R1.252 CC(C)CNCC1CCOCC1 270004a_100000746373_100000210432 [0,1,0,1,0,0|1,0,0]=3 12350 B12R1.252 CC(C)CNCC1CCOCC1 34a_100000210953_100000754603 [0,1,0,1,0,0|1,0,0]=3 12351 B12R1.252 CC(C)CNCC1CCOCC1 34a_100000746373_100000210624 [0,1,0,1,0,0|1,0,0]=3 12352 B12R1.252 CC(C)CNCC1CCSCC1 2230a_100015188806_100000210760 [0,1,0,1,0,0|1,1,0]=4 12353 B12R1.252 CC(C)CNCC1CCSCC1 269862a_100000210953_100000067145 [0,1,0,1,0,0|1,1,0]=4 12354 B12R1.252 CC(C)CNCC1CCSCC1 270004a_100000210953_100000067145 [0,1,0,1,0,0|1,1,0]=4 12355 B12R1.252 CC(C)CNCC1CCSCC1 270004a_100015188806_100000210432 [0,1,0,1,0,0|1,1,0]=4 12356 B12R1.252 CC(C)CNCC1CCSCC1 34a_100015188806_100000210624 [0,1,0,1,0,0|1,1,0]=4 12357 B12R1.252 CC(C)CNC[C@H]1COCCO1 2230a_100010981119_100000210760 [0,1,0,1,0,0|1,0,0]=3 12358 B12R1.252 CC(C)CNC[C@H]1COCCO1 270004a_100010981119_100000210432 [0,1,0,1,0,0|1,0,0]=3 12359 B12R1.252 CC(C)CNC[C@H]1COCCO1 34a_100010981119_100000210624 [0,1,0,1,0,0|1,0,0]=3 12360 B12R1.252 CC(C)COCC1CC=CCC1 34a_100000210713_100000210624 [0,1,0,1,0,0|2,0,0]=4 12361 B12R1.252 CC(C)COCC1CCCCC1 34a_100000210257_100000211423 [0,1,0,1,0,0|2,0,0]=4 12362 B12R1.252 CC(C)COCC1CCCCC1 34a_100000212181_100000210624 [0,1,0,1,0,0|2,0,0]=4 12363 B12R1.252 CC(C)COCC1CCCCC1 7a_100000212181_100000210760 [0,1,0,1,0,0|2,0,0]=4 12364 B12R1.252 CC(C)COCC1CCCCN1 34a_100000210821_100000210624 [0,1,0,1,0,0|2,0,0]=4 12365 B12R1.252 CC(C)COCC1CCCCO1 34a_100000210257_100000211543 [0,1,0,1,0,0|2,0,0]=4 12366 B12R1.252 CC(C)COCC1CCCCO1 34a_100000211370_100000210624 [0,1,0,1,0,0|2,0,0]=4 12367 B12R1.252 CC(C)COCC1CCCCO1 7a_100000211370_100000210760 [0,1,0,1,0,0|2,0,0]=4 12368 B12R1.252 CC(C)COCC1CCCNC1 34a_100000211344_100000210624 [0,1,0,1,0,0|2,0,0]=4 12369 B12R1.252 CC(C)COCC1CCCOC1 34a_100000210257_100000741521 [0,1,0,1,0,0|1,0,0]=3 12370 B12R1.252 CC(C)COCC1CCCOC1 34a_100000741520_100000210624 [0,1,0,1,0,0|1,0,0]=3 12371 B12R1.252 CC(C)COCC1CCNCC1 34a_100000738675_100000210624 [0,1,0,1,0,0|2,0,0]=4 12372 B12R1.252 CC(C)COCC1CCOCC1 34a_100000210257_100000754603 [0,1,0,1,0,0|1,0,0]=3 12373 B12R1.252 CC(C)COCC1CCOCC1 34a_100000749013_100000210624 [0,1,0,1,0,0|1,0,0]=3 12374 B12R1.252 CC(C)COCC1CCSCC1 34a_100000070558_100000210624 [0,1,0,1,0,0|1,1,0]=4 12375 B12R1.252 CC(C)COCC1CCSCC1 7a_100000070558_100000210760 [0,1,0,1,0,0|1,1,0]=4 12376 B12R1.252 CC(C)COC[C@@H]1CNCCO1 34a_100015189573_100000210624 [0,1,0,1,0,0|2,0,0]=4 12377 B12R1.252 CC(C)COC[C@@H]1COCCN1 34a_100000717676_100000210624 [0,1,0,1,0,0|1,0,0]=3 12378 B12R1.252 CC(C)COC[C@H]1COCCO1 34a_100009875890_100000210624 [0,1,0,1,0,0|1,0,0]=3 12379 B12R1.252 CC(C)CSCC1CCCCC1 62a_100000210624_100000211423 [0,1,0,1,0,0|2,0,0]=4 12380 B12R1.252 CC(C)CSCC1CCCCC1 62a_100000211423_100000210760 [0,1,0,1,0,0|2,0,0]=4 12381 B12R1.252 CC(C)CSCC1CCCCO1 62a_100000210624_100000211543 [0,1,0,1,0,0|2,0,0]=4 12382 B12R1.252 CC(C)CSCC1CCCCO1 62a_100000211543_100000210760 [0,1,0,1,0,0|2,0,0]=4 12383 B12R1.252 CC(C)CSCC1CCCOC1 62a_100000210624_100000741521 [0,1,0,1,0,0|1,0,0]=3 12384 B12R1.252 CC(C)CSCC1CCCOC1 62a_100000741521_100000210760 [0,1,0,1,0,0|1,0,0]=3 12385 B12R1.252 CC(C)CSCC1CCOCC1 62a_100000210624_100000749018 [0,1,0,1,0,0|1,0,0]=3 12386 B12R1.252 CC(C)CSCC1CCOCC1 62a_100000754603_100000210760 [0,1,0,1,0,0|1,0,0]=3 12387 B12R1.252 CC(C)NCCC1CCCCC1 2230a_100000738074_100000210206 [0,1,0,1,0,0|2,0,0]=4 12388 B12R1.252 CC(C)NCCC1CCCCC1 2230a_100138425928_100012355289 [0,1,0,1,0,0|2,0,0]=4 12389 B12R1.252 CC(C)NCCC1CCCCC1 34a_100000738074_100000210206 [0,1,0,1,0,0|2,0,0]=4 12390 B12R1.252 CC(C)NCCC1CCCCC1 34a_100138425928_100011209188 [0,1,0,1,0,0|2,0,0]=4 12391 B12R1.252 CC(C)NCCC1CCCCO1 2230a_100015183643_100000210206 [0,1,0,1,0,0|2,0,0]=4 12392 B12R1.252 CC(C)NCCC1CCCCO1 34a_100015183643_100000210206 [0,1,0,1,0,0|2,0,0]=4 12393 B12R1.252 CC(C)NCCC1CCOCC1 2230a_100000755988_100000210206 [0,1,0,1,0,0|1,0,0]=3 12394 B12R1.252 CC(C)NCCC1CCOCC1 2230a_100138425928_100011934994 [0,1,0,1,0,0|1,0,0]=3 12395 B12R1.252 CC(C)NCCC1CCOCC1 34a_100000755988_100000210206 [0,1,0,1,0,0|1,0,0]=3 12396 B12R1.252 CC(C)NCCC1CCOCC1 34a_100138425928_100011934994 [0,1,0,1,0,0|1,0,0]=3 12397 B12R1.252 CC(C)NCCN1CCOCC1 2230a_100138425928_100025781966 [0,1,0,1,0,0|2,0,0]=4 12398 B12R1.252 CC(C)OCCC1CCCCC1 34a_100000212225_100011209188 [0,1,0,1,0,0|2,0,0]=4 12399 B12R1.252 CC(C)OCCC1CCCCC1 34a_100011217863_100000210206 [0,1,0,1,0,0|2,0,0]=4 12400 B12R1.252 CC(C)OCCC1CCCCC1 7a_100011217863_100000210206 [0,1,0,1,0,0|2,0,0]=4 12401 B12R1.252 CC(C)OCCC1CCCCN1 34a_100000211664_100000210206 [0,1,0,1,0,0|2,0,0]=4 12402 B12R1.252 CC(C)OCCC1CCCNC1 34a_100000752241_100000210206 [0,1,0,1,0,0|2,0,0]=4 12403 B12R1.252 CC(C)OCCC1CCNCC1 34a_100015190746_100000210206 [0,1,0,1,0,0|2,0,0]=4 12404 B12R1.252 CC(C)OCCC1CCOCC1 34a_100000212225_100011934994 [0,1,0,1,0,0|1,0,0]=3 12405 B12R1.252 CC(C)OCCC1CCOCC1 34a_100011933979_100000210206 [0,1,0,1,0,0|1,0,0]=3 12406 B12R1.252 CC(C)OCCC1CCOCC1 7a_100011933979_100000210206 [0,1,0,1,0,0|1,0,0]=3 12407 B12R1.252 CC(C)OCCN1CCCOC1 2230a_100000131196_100000211751 [0,1,0,1,0,0|2,0,0]=4 12408 B12R1.252 CC(C)OCCN1CCCOC1 269982a_100000131196_100000211751 [0,1,0,1,0,0|2,0,0]=4 12409 B12R1.252 CC(C)OCCN1CCCOC1 34a_100000131196_100000211751 [0,1,0,1,0,0|2,0,0]=4 12410 B12R1.252 CC(C)OCCN1CCOCC1 2230a_100015191051_100000211751 [0,1,0,1,0,0|2,0,0]=4 12411 B12R1.252 CC(C)OCCN1CCOCC1 269982a_100015191051_100000211751 [0,1,0,1,0,0|2,0,0]=4 12412 B12R1.252 CC(C)OCCN1CCOCC1 34a_100015191051_100000211751 [0,1,0,1,0,0|2,0,0]=4 12413 B12R1.252 CC(C)OCC[C@@H]1CNCCN1 34a_100016989929_100000210206 [0,1,0,1,0,0|2,0,0]=4 12414 B12R1.252 CC(C)OCNC1CCCOC1 2230a_100000719290_100000709892 [0,1,0,1,0,0|2,0,0]=4 12415 B12R1.252 CC(C)OCNC1CCCOC1 34a_100000719290_100000709892 [0,1,0,1,0,0|2,0,0]=4 12416 B12R1.252 CC(C)OCNC1CCOCC1 2230a_100000741149_100000709892 [0,1,0,1,0,0|2,0,0]=4 12417 B12R1.252 CC(C)OCNC1CCOCC1 34a_100000741149_100000709892 [0,1,0,1,0,0|2,0,0]=4 12418 B12R1.252 CC(C)OCOC1CCCOC1 34a_100000754041_100000709892 [0,1,0,1,0,0|2,0,0]=4 12419 B12R1.252 CC(C)OCOC1CCOCC1 34a_100000744328_100000709892 [0,1,0,1,0,0|2,0,0]=4 12420 B12R1.252 CC(C)OCSC1CCCOC1 62a_100000709892_100000693364 [0,1,0,1,0,0|2,0,0]=4 12421 B12R1.252 CC(C)OCSC1CCOCC1 62a_100000709892_100011324220 [0,1,0,1,0,0|2,0,0]=4 12422 B12R1.252 CC(C)SCCC1CCCCC1 62a_100000210206_100012355289 [0,1,0,1,0,0|2,0,0]=4 12423 B12R1.252 CC(C)SCCC1CCCCC1 62a_100012355289_100000210206 [0,1,0,1,0,0|2,0,0]=4 12424 B12R1.252 CC(C)SCCC1CCOCC1 62a_100000210206_100011934994 [0,1,0,1,0,0|1,0,0]=3 12425 B12R1.252 CC(C)SCCC1CCOCC1 62a_100011934994_100000210206 [0,1,0,1,0,0|1,0,0]=3 12426 B12R1.252 CC(C)SCCN1CCCOC1 2230a_100000131196_100000730970 [0,1,0,1,0,0|2,0,0]=4 12427 B12R1.252 CC(C)SCCN1CCCOC1 269982a_100000131196_100000730970 [0,1,0,1,0,0|2,0,0]=4 12428 B12R1.252 CC(C)SCCN1CCCOC1 34a_100000131196_100000730970 [0,1,0,1,0,0|2,0,0]=4 12429 B12R1.252 CC(C)SCCN1CCOCC1 2230a_100015191051_100000730970 [0,1,0,1,0,0|2,0,0]=4 12430 B12R1.252 CC(C)SCCN1CCOCC1 269982a_100015191051_100000730970 [0,1,0,1,0,0|2,0,0]=4 12431 B12R1.252 CC(C)SCCN1CCOCC1 34a_100015191051_100000730970 [0,1,0,1,0,0|2,0,0]=4 12432 B12R1.252 CC(C)SCCN1CCOCC1 62a_100000210206_100000211760 [0,1,0,1,0,0|2,0,0]=4 12433 B12R1.252 CC(F)COCC1CCCOC1 34a_100015925927_100000741521 [0,1,0,1,0,0|2,0,0]=4 12434 B12R1.252 CC(F)COCC1CCOCC1 34a_100015925927_100000754603 [0,1,0,1,0,0|2,0,0]=4 12435 B12R1.252 CC(O)CCCN1CCCOC1 2230a_100000131196_200000718107 [0,1,0,1,0,0|2,0,0]=4 12436 B12R1.252 CC(O)CCCN1CCCOC1 269982a_100000131196_200000718107 [0,1,0,1,0,0|2,0,0]=4 12437 B12R1.252 CC(O)CCCN1CCCOC1 34a_100000131196_200000718107 [0,1,0,1,0,0|2,0,0]=4 12438 B12R1.252 CC(O)CCCN1CCOCC1 2230a_100015191051_200000718107 [0,1,0,1,0,0|2,0,0]=4 12439 B12R1.252 CC(O)CCCN1CCOCC1 269982a_100015191051_200000718107 [0,1,0,1,0,0|2,0,0]=4 12440 B12R1.252 CC(O)CCCN1CCOCC1 34a_100015191051_200000718107 [0,1,0,1,0,0|2,0,0]=4 12441 B12R1.252 CC(O)CCNC1CCCOC1 2230a_100000719290_100012276601 [0,1,0,1,0,0|2,0,0]=4 12442 B12R1.252 CC(O)CCNC1CCCOC1 270004a_200000755665_100000753404 [0,1,0,1,0,0|2,0,0]=4 12443 B12R1.252 CC(O)CCNC1CCCOC1 34a_100000719290_100012276601 [0,1,0,1,0,0|2,0,0]=4 12444 B12R1.252 CC(O)CCNC1CCOCC1 2230a_100000741149_100012276601 [0,1,0,1,0,0|2,0,0]=4 12445 B12R1.252 CC(O)CCNC1CCOCC1 270004a_200000755665_100011217826 [0,1,0,1,0,0|2,0,0]=4 12446 B12R1.252 CC(O)CCNC1CCOCC1 34a_100000741149_100012276601 [0,1,0,1,0,0|2,0,0]=4 12447 B12R1.252 CC(O)CCOC1CCCOC1 34a_100000754041_100012276601 [0,1,0,1,0,0|2,0,0]=4 12448 B12R1.252 CC(O)CCOC1CCOCC1 34a_100000744328_100012276601 [0,1,0,1,0,0|2,0,0]=4 12449 B12R1.252 CC(O)CCSC1CCCOC1 62a_100012276601_100000693364 [0,1,0,1,0,0|2,0,0]=4 12450 B12R1.252 CC(O)CCSC1CCOCC1 62a_100012276601_100011324220 [0,1,0,1,0,0|2,0,0]=4 12451 B12R1.252 CC(O)CNCC1CCCOC1 2230a_100000210904_100000741521 [0,1,0,1,0,0|2,0,0]=4 12452 B12R1.252 CC(O)CNCC1CCCOC1 2230a_100000720124_100011218427 [0,1,0,1,0,0|2,0,0]=4 12453 B12R1.252 CC(O)CNCC1CCCOC1 34a_100000210904_100000741521 [0,1,0,1,0,0|2,0,0]=4 12454 B12R1.252 CC(O)CNCC1CCCOC1 34a_100000720124_100011218427 [0,1,0,1,0,0|2,0,0]=4 12455 B12R1.252 CC(O)CNCC1CCOCC1 2230a_100000210904_100000754603 [0,1,0,1,0,0|2,0,0]=4 12456 B12R1.252 CC(O)CNCC1CCOCC1 2230a_100000746373_100011218427 [0,1,0,1,0,0|2,0,0]=4 12457 B12R1.252 CC(O)CNCC1CCOCC1 269862a_100000210904_100000749017 [0,1,0,1,0,0|2,0,0]=4 12458 B12R1.252 CC(O)CNCC1CCOCC1 34a_100000210904_100000754603 [0,1,0,1,0,0|2,0,0]=4 12459 B12R1.252 CC(O)CNCC1CCOCC1 34a_100000746373_100011218427 [0,1,0,1,0,0|2,0,0]=4 12460 B12R1.252 CC(O)CNC[C@H]1COCCO1 2230a_100010981119_100011218427 [0,1,0,1,0,0|2,0,0]=4 12461 B12R1.252 CC(O)CNC[C@H]1COCCO1 34a_100010981119_100011218427 [0,1,0,1,0,0|2,0,0]=4 12462 B12R1.252 CC(O)COCC1CCCOC1 34a_100000741520_100011218427 [0,1,0,1,0,0|2,0,0]=4 12463 B12R1.252 CC(O)COCC1CCOCC1 34a_100000749013_100011218427 [0,1,0,1,0,0|2,0,0]=4 12464 B12R1.252 CC(O)COC[C@@H]1COCCN1 34a_100000717676_100011218427 [0,1,0,1,0,0|2,0,0]=4 12465 B12R1.252 CC(O)COC[C@H]1COCCO1 34a_100009875890_100011218427 [0,1,0,1,0,0|2,0,0]=4 12466 B12R1.252 CC(O)CSCC1CCCOC1 62a_100000741521_100011218427 [0,1,0,1,0,0|2,0,0]=4 12467 B12R1.252 CC(O)CSCC1CCCOC1 62a_100011218427_100000741521 [0,1,0,1,0,0|2,0,0]=4 12468 B12R1.252 CC(O)CSCC1CCOCC1 62a_100000754603_100011218427 [0,1,0,1,0,0|2,0,0]=4 12469 B12R1.252 CC(O)CSCC1CCOCC1 62a_100011218427_100000749018 [0,1,0,1,0,0|2,0,0]=4 12470 B12R1.252 CN(C)CCCC1CCCCC1 2230a_100102631434_100011713725 [0,1,0,1,0,0|2,0,0]=4 12471 B12R1.252 CN(C)CCCC1CCCCC1 269982a_100102631434_100011713725 [0,1,0,1,0,0|2,0,0]=4 12472 B12R1.252 CN(C)CCCN1CCCOC1 269982a_100000131196_100000757444 [0,1,0,1,0,0|2,0,0]=4 12473 B12R1.252 CN(C)CCCN1CCOCC1 2230a_100000224819_200000210301 [0,1,0,1,0,0|2,0,0]=4 12474 B12R1.252 CN(C)CCCN1CCOCC1 2230a_100102631434_100000748698 [0,1,0,1,0,0|2,0,0]=4 12475 B12R1.252 CN(C)CCCN1CCOCC1 269982a_100000224819_200000210301 [0,1,0,1,0,0|2,0,0]=4 12476 B12R1.252 CN(C)CCCN1CCOCC1 269982a_100015191051_100000757444 [0,1,0,1,0,0|2,0,0]=4 12477 B12R1.252 CN(C)CCCN1CCOCC1 269982a_100102631434_100000748698 [0,1,0,1,0,0|2,0,0]=4 12478 B12R1.252 CN(C)CCNC1CCCOC1 270004a_100000210585_100000753404 [0,1,0,1,0,0|2,0,0]=4 12479 B12R1.252 CN(C)CCNC1CCOCC1 270004a_100000210585_100011217826 [0,1,0,1,0,0|2,0,0]=4 12480 B12R1.252 CN([13CH3])CCCN1CCOCC1 2230a_100000224819_200025704644 [0,1,0,1,0,0|2,0,0]=4 12481 B12R1.252 CN([13CH3])CCCN1CCOCC1 269982a_100000224819_200025704644 [0,1,0,1,0,0|2,0,0]=4 12482 B12R1.252 C[C@@H](Cl)COCC1CCCOC1 34a_100016084084_100000741521 [0,1,0,1,0,0|2,0,0]=4 12483 B12R1.252 C[C@@H](Cl)COCC1CCOCC1 34a_100016084084_100000754603 [0,1,0,1,0,0|2,0,0]=4 12484 B12R1.252 C[C@@H](N)CCOC1CCCOC1 34a_100000706166_100000693364 [0,1,0,1,0,0|2,0,0]=4 12485 B12R1.252 C[C@@H](N)COCC1CCCOC1 34a_100000737577_100000741521 [0,1,0,1,0,0|2,0,0]=4 12486 B12R1.252 C[C@@H](N)COCC1CCOCC1 34a_100000737577_100000754603 [0,1,0,1,0,0|2,0,0]=4 12487 B12R1.252 C[C@@H](O)CNCC1CCCOC1 2230a_100000720124_100009817552 [0,1,0,1,0,0|2,0,0]=4 12488 B12R1.252 C[C@@H](O)CNCC1CCCOC1 34a_100000720124_100009817552 [0,1,0,1,0,0|2,0,0]=4 12489 B12R1.252 C[C@@H](O)CNCC1CCOCC1 2230a_100000746373_100009817552 [0,1,0,1,0,0|2,0,0]=4 12490 B12R1.252 C[C@@H](O)CNCC1CCOCC1 34a_100000746373_100009817552 [0,1,0,1,0,0|2,0,0]=4 12491 B12R1.252 C[C@@H](O)CNC[C@H]1COCCO1 2230a_100010981119_100009817552 [0,1,0,1,0,0|2,0,0]=4 12492 B12R1.252 C[C@@H](O)CNC[C@H]1COCCO1 34a_100010981119_100009817552 [0,1,0,1,0,0|2,0,0]=4 12493 B12R1.252 C[C@@H](O)COCC1CCCOC1 34a_100000741520_100009817552 [0,1,0,1,0,0|2,0,0]=4 12494 B12R1.252 C[C@@H](O)COCC1CCOCC1 34a_100000749013_100009817552 [0,1,0,1,0,0|2,0,0]=4 12495 B12R1.252 C[C@@H](O)COC[C@@H]1COCCN1 34a_100000717676_100009817552 [0,1,0,1,0,0|2,0,0]=4 12496 B12R1.252 C[C@@H](O)COC[C@H]1COCCO1 34a_100009875890_100009817552 [0,1,0,1,0,0|2,0,0]=4 12497 B12R1.252 C[C@@H](O)CSCC1CCCOC1 62a_100000741521_100009817552 [0,1,0,1,0,0|2,0,0]=4 12498 B12R1.252 C[C@@H](O)CSCC1CCCOC1 62a_100009817552_100000741521 [0,1,0,1,0,0|2,0,0]=4 12499 B12R1.252 C[C@@H](O)CSCC1CCOCC1 62a_100000754603_100009817552 [0,1,0,1,0,0|2,0,0]=4 12500 B12R1.252 C[C@@H](O)CSCC1CCOCC1 62a_100009817552_100000749018 [0,1,0,1,0,0|2,0,0]=4 12501 B12R1.438 CC(C)CN1CCCC(C1)CF 2230a_100016992999_100000210760 [0,1,0,1,0,0|2,0,0]=4 12502 B12R1.438 CC(C)CN1CCCC(C1)CF 269982a_100016992999_100000210624 [0,1,0,1,0,0|2,0,0]=4 12503 B12R1.438 CC(C)CN1CCCC(C1)CF 270004a_100016992999_100000210432 [0,1,0,1,0,0|2,0,0]=4 12504 B12R1.438 CC(C)CN1CCCC(C1)CF 34a_100016992999_100000210624 [0,1,0,1,0,0|2,0,0]=4 12505 B12R1.438 CC(C)CN1CCCC(C1)CO 2230a_100000211344_100000210760 [0,1,0,1,0,0|2,0,0]=4 12506 B12R1.438 CC(C)CN1CCCC(C1)CO 269982a_100000211344_100000210624 [0,1,0,1,0,0|2,0,0]=4 12507 B12R1.438 CC(C)CN1CCCC(C1)CO 270004a_100000211344_100000210432 [0,1,0,1,0,0|2,0,0]=4 12508 B12R1.438 CC(C)CN1CCCC(C1)CO 34a_100000211344_100000210624 [0,1,0,1,0,0|2,0,0]=4 12509 B12R1.438 CC(C)OC1CCCC(C1)CN 34a_100011254705_100000210206 [0,1,0,1,0,0|2,0,0]=4 12510 B12R1.438 CCC1CCCC(C1)OC(C)C 7a_100011985506_100000210206 [0,1,0,1,0,0|2,0,0]=4 12511 B12R1.438 CCN1CCOC(C1)CN(C)C 2230a_100000752868_100000210202 [0,1,0,1,0,0|2,0,0]=4 12512 B12R1.438 CCN1CCOC(C1)CN(C)C 269982a_100000752868_100000204670 [0,1,0,1,0,0|2,0,0]=4 12513 B12R1.438 CN(C)CC1CN(CCO1)CF 269982a_100000752868_100015361967 [0,1,0,1,0,0|2,0,0]=4 12514 B12R1.438 COC1CCCN(C1)CC(C)C 2230a_100000695604_100000210760 [0,1,0,1,0,0|2,0,0]=4 12515 B12R1.438 COC1CCCN(C1)CC(C)C 269982a_100000695604_100000210624 [0,1,0,1,0,0|2,0,0]=4 12516 B12R1.438 COC1CCCN(C1)CC(C)C 270004a_100000695604_100000210432 [0,1,0,1,0,0|2,0,0]=4 12517 B12R1.438 COC1CCCN(C1)CC(C)C 34a_100000695604_100000210624 [0,1,0,1,0,0|2,0,0]=4 12518 B12R1.610 CCCC(CC)OCC1CC1C 7a_100000744939_100011219200 [0,1,0,1,0,0|2,0,0]=4 12519 B12R1.1141 CC1CN(CCCN1CCO)C 269982a_100011935175_100000211926 [0,1,0,1,0,0|2,0,0]=4 12520 B12R1.1142 CC1(CCCN(CC1)CCF)O 2230a_100000723723_100011217306 [0,1,0,1,0,0|2,0,0]=4 12521 B12R1.1142 CC1(CCCN(CC1)CCF)O 269982a_100000723723_100011217306 [0,1,0,1,0,0|2,0,0]=4 12522 B12R1.1142 CC1(CCCN(CC1)CCF)O 34a_100000723723_100011217306 [0,1,0,1,0,0|2,0,0]=4 12523 B12R1.1142 CC1(CCCN(CC1)CCO)O 2230a_100000723723_100000211926 [0,1,0,1,0,0|1,0,0]=3 12524 B12R1.1142 CC1(CCCN(CC1)CCO)O 269982a_100000723723_100000211926 [0,1,0,1,0,0|1,0,0]=3 12525 B12R1.1142 CC1(CCCN(CC1)CCO)O 34a_100000723723_100000211926 [0,1,0,1,0,0|1,0,0]=3 12526 B12R1.1142 CCCN1CCCC(CC1)(C)O 2230a_100000723723_100000210303 [0,1,0,1,0,0|2,0,0]=4 12527 B12R1.1142 CCCN1CCCC(CC1)(C)O 269982a_100000723723_100000210303 [0,1,0,1,0,0|2,0,0]=4 12528 B12R1.1142 CCCN1CCCC(CC1)(C)O 34a_100000723723_100000210303 [0,1,0,1,0,0|2,0,0]=4 12529 B12R1.1142 OCCN1CCCC(CC1)(F)F 2230a_100020621504_100000211926 [0,1,0,1,0,0|2,0,0]=4 12530 B12R1.1142 OCCN1CCCC(CC1)(F)F 269982a_100020621504_100000211926 [0,1,0,1,0,0|2,0,0]=4 12531 B12R1.1142 OCCN1CCCC(CC1)(F)F 34a_100020621504_100000211926 [0,1,0,1,0,0|2,0,0]=4 12532 B12R1.1222 CC(C)CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011214892 [0,1,0,1,0,0|1,0,0]=3 12533 B12R1.1222 CC(C)CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011214892 [0,1,0,1,0,0|1,0,0]=3 12534 B12R1.1222 CC(C)OCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000211751 [0,1,0,1,0,0|2,0,0]=4 12535 B12R1.1222 CC(C)OCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000211751 [0,1,0,1,0,0|2,0,0]=4 12536 B12R1.1222 CC(C)SCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000730970 [0,1,0,1,0,0|2,0,0]=4 12537 B12R1.1222 CC(C)SCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000730970 [0,1,0,1,0,0|2,0,0]=4 12538 B12R1.1222 CC(O)CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_200000718107 [0,1,0,1,0,0|2,0,0]=4 12539 B12R1.1222 CC(O)CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_200000718107 [0,1,0,1,0,0|2,0,0]=4 12540 B12R1.1222 C[C@H]1[C@H](CN1CCCN(C)C)O 269982a_206633788156_100000757444 [0,1,0,1,0,0|2,0,0]=4 12541 B12R1.1474 CCCC1(CC1)NCCC(C)C 2230a_100015185929_100000210312 [0,1,0,1,0,0|2,0,0]=4 12542 B12R1.1891 CCC1CCCN(CC1)C(C)C 2230a_100000757272_100000210206 [0,1,0,1,0,0|2,0,0]=4 12543 B12R1.1891 CCC1CCCN(CC1)C(C)C 269982a_100000757272_100000210206 [0,1,0,1,0,0|2,0,0]=4 12544 B12R1.1891 CCC1CCCN(CC1)C(C)C 34a_100000757272_100000210206 [0,1,0,1,0,0|2,0,0]=4 12545 B12R1.1891 COC1CCCN(CC1)C(C)C 2230a_100016993962_100000210206 [0,1,0,1,0,0|2,0,0]=4 12546 B12R1.1891 COC1CCCN(CC1)C(C)C 269982a_100016993962_100000210206 [0,1,0,1,0,0|2,0,0]=4 12547 B12R1.1891 COC1CCCN(CC1)C(C)C 34a_100016993962_100000210206 [0,1,0,1,0,0|2,0,0]=4 12548 B12R1.2372 CC(C)CCNC1(CCC1)CO 2230a_100016993734_100000210312 [0,1,0,1,0,0|2,0,0]=4 12549 B12R1.2372 CC(C)CNCC1(CCC1)CO 2230a_100000701034_100000210760 [0,1,0,1,0,0|2,0,0]=4 12550 B12R1.2372 CC(C)CNCC1(CCC1)CO 270004a_100000701034_100000210432 [0,1,0,1,0,0|2,0,0]=4 12551 B12R1.2372 CCC1(CCC1)CNCC(C)C 2230a_100000685557_100000210760 [0,1,0,1,0,0|2,0,0]=4 12552 B12R1.2372 CCC1(CCC1)CNCC(C)C 270004a_100000685557_100000210432 [0,1,0,1,0,0|2,0,0]=4 12553 B12R1.3756 CC(C)CCN[C@@H](CO)C1CC1 2230a_100020623730_100000210312 [0,1,0,1,0,0|2,0,0]=4 12554 B12R1.3756 CC(C)CCN[C@@H](CO)C1CC1 34a_100020623730_100000210312 [0,1,0,1,0,0|2,0,0]=4 12555 B12R1.3756 CC(C)CCOC(CN)C1CC1 34a_100000751198_100000210312 [0,1,0,1,0,0|2,0,0]=4 12556 B12R1.3756 CCC(NCCC(C)C)C1CC1 2230a_100025715781_100000210312 [0,1,0,1,0,0|2,0,0]=4 12557 B12R1.3756 CCC(NCCC(C)C)C1CC1 269862a_100000210545_100000759681 [0,1,0,1,0,0|2,0,0]=4 12558 B12R1.3756 CCC(NCCC(C)C)C1CC1 269862a_100025715781_100000185833 [0,1,0,1,0,0|2,0,0]=4 12559 B12R1.3756 CCC(NCCC(C)C)C1CC1 34a_100025715781_100000210312 [0,1,0,1,0,0|2,0,0]=4 12560 B12R1.3756 CCC(OCCC(C)C)C1CC1 34a_100011351122_100000210312 [0,1,0,1,0,0|2,0,0]=4 12561 B12R1.3756 CCC(OCCC(C)C)C1CC1 7a_100011351122_100000210626 [0,1,0,1,0,0|2,0,0]=4 12562 B12R1.3756 CCN(CCCC(C)C)C1CC1 2230a_100000738653_100011214892 [0,1,0,1,0,0|2,0,0]=4 12563 B12R1.3756 CCN(CCCC(C)C)C1CC1 269982a_100000738653_100011214892 [0,1,0,1,0,0|2,0,0]=4 12564 B12R1.16 CC(CCO)N1CCC(CC1)F 2230a_100015193889_100009893172 [0,1,0,1,0,0|2,0,0]=4 12565 B12R1.16 CC(CCO)N1CCC(CC1)F 269982a_100015193889_100009893172 [0,1,0,1,0,0|2,0,0]=4 12566 B12R1.16 CC(CCO)N1CCC(CC1)F 34a_100015193889_100009893172 [0,1,0,1,0,0|2,0,0]=4 12567 B12R1.16 CC(CCO)N1CCC(CC1)O 2230a_100025773856_100009893172 [0,1,0,1,0,0|2,0,0]=4 12568 B12R1.16 CC(CCO)N1CCC(CC1)O 269982a_100025773856_100009893172 [0,1,0,1,0,0|2,0,0]=4 12569 B12R1.16 CC(CCO)N1CCN(CC1)C 2230a_100000188432_100009893172 [0,1,0,1,0,0|2,0,0]=4 12570 B12R1.16 CC(CCO)N1CCN(CC1)C 269982a_100000188432_100009893172 [0,1,0,1,0,0|2,0,0]=4 12571 B12R1.16 CC1=CCN(CC1)C(C)CCO 2230a_100000693516_100009893172 [0,1,0,1,0,0|1,0,1]=4 12572 B12R1.16 CC1=CCN(CC1)C(C)CCO 269982a_100000693516_100009893172 [0,1,0,1,0,0|1,0,1]=4 12573 B12R1.16 CC1=CCN(CC1)C(C)CCO 34a_100000693516_100009893172 [0,1,0,1,0,0|1,0,1]=4 12574 B12R1.16 CC1CCC(CC1)C(=O)CCO 1458a_100011216618_200011216234 [0,1,0,1,0,0|1,0,1]=4 12575 B12R1.16 CC1CCC(CC1)N(C)CCO 269982a_100000210263_200011216234 [0,1,0,1,0,0|1,0,0]=3 12576 B12R1.16 CC1CCC(CC1)N(C)CCO 270004a_100000210263_100000185489 [0,1,0,1,0,0|1,0,0]=3 12577 B12R1.16 CC1CCN(CC1)C(C)CCO 2230a_100000188429_100009893172 [0,1,0,1,0,0|1,0,0]=3 12578 B12R1.16 CC1CCN(CC1)C(C)CCO 269982a_100000188429_100009893172 [0,1,0,1,0,0|1,0,0]=3 12579 B12R1.16 CC1CCN(CC1)C(C)CCO 34a_100000188429_100009893172 [0,1,0,1,0,0|1,0,0]=3 12580 B12R1.16 CCCC(C)N1CCC(CC1)C 2230a_100000188429_100000766640 [0,1,0,1,0,0|2,0,0]=4 12581 B12R1.16 CCCC(C)N1CCC(CC1)C 269982a_100000188429_100000766640 [0,1,0,1,0,0|2,0,0]=4 12582 B12R1.16 CCCC(C)N1CCC(CC1)C 270004a_100000188429_100000211909 [0,1,0,1,0,0|2,0,0]=4 12583 B12R1.16 CCCC(C)N1CCC(CC1)C 34a_100000188429_100000766640 [0,1,0,1,0,0|2,0,0]=4 12584 B12R1.16 CCCN(C)C1CCC(CC1)C 269982a_100000747261_200011216234 [0,1,0,1,0,0|2,0,0]=4 12585 B12R1.16 CCCN(C)C1CCC(CC1)C 270004a_100000747261_100000185489 [0,1,0,1,0,0|2,0,0]=4 12586 B12R1.16 CN(CCO)C1CCC(CC1)O 270004a_100000210263_100000764474 [0,1,0,1,0,0|2,0,0]=4 12587 B12R1.16 CN(CCO)C1CCN(CC1)[13CH3] 2230a_100000752810_200025704644 [0,1,0,1,0,0|2,0,0]=4 12588 B12R1.16 CN(CCO)C1CCN(CC1)[13CH3] 269982a_100000752810_200025704644 [0,1,0,1,0,0|2,0,0]=4 12589 B12R1.16 CN(CCO)[C@H]1CC[C@H](CC1)O 2230a_100020636401_100000211926 [0,1,0,1,0,0|2,0,0]=4 12590 B12R1.16 CN(CCO)[C@H]1CC[C@H](CC1)O 269982a_100020636401_100000211926 [0,1,0,1,0,0|2,0,0]=4 12591 B12R1.16 CN1CCC(CC1)N(C)CCO 2230a_100000752810_200000210301 [0,1,0,1,0,0|2,0,0]=4 12592 B12R1.16 CN1CCC(CC1)N(C)CCO 2230a_100025768347_100000211926 [0,1,0,1,0,0|2,0,0]=4 12593 B12R1.16 CN1CCC(CC1)N(C)CCO 269982a_100000210263_100011215917 [0,1,0,1,0,0|2,0,0]=4 12594 B12R1.16 CN1CCC(CC1)N(C)CCO 269982a_100000752810_200000210301 [0,1,0,1,0,0|2,0,0]=4 12595 B12R1.16 CN1CCC(CC1)N(C)CCO 269982a_100025768347_100000211926 [0,1,0,1,0,0|2,0,0]=4 12596 B12R1.16 CN1CCC(CC1)N(C)CCO 270004a_100000210263_100000210137 [0,1,0,1,0,0|2,0,0]=4 12597 B12R1.16 C[C@H]1CC[C@@H](CC1)C(=O)CCO 1458a_100009815934_100000211926 [0,1,0,1,0,0|1,0,1]=4 12598 B12R1.54 CC(C)CCC(=O)C1CCCC1 1458a_100000181311_100000179811 [0,1,0,1,0,0|1,0,1]=4 12599 B12R1.54 CC(C)CCC(=O)C1CCCC1 1458a_100000210718_100000210312 [0,1,0,1,0,0|1,0,1]=4 12600 B12R1.54 CC(C)CCC(=O)C1CCOC1 1458a_100000181311_100000690089 [0,1,0,1,0,0|0,0,1]=3 12601 B12R1.54 CC(C)CCC(=O)C1CCOC1 1458a_100011219752_100000210312 [0,1,0,1,0,0|0,0,1]=3 12602 B12R1.54 CC(C)CCC(C)N1CCCC1 2230a_100000188435_100011261404 [0,1,0,1,0,0|2,0,0]=4 12603 B12R1.54 CC(C)CCC(C)N1CCCC1 269982a_100000188435_100011261404 [0,1,0,1,0,0|2,0,0]=4 12604 B12R1.54 CC(C)CCC(C)N1CCCC1 270004a_100000188435_100000210476 [0,1,0,1,0,0|2,0,0]=4 12605 B12R1.54 CC(C)CCC(C)N1CCSC1 2230a_100011215254_100011261404 [0,1,0,1,0,0|1,1,0]=4 12606 B12R1.54 CC(C)CCC(C)N1CCSC1 269982a_100011215254_100011261404 [0,1,0,1,0,0|1,1,0]=4 12607 B12R1.54 CC(C)CCC(C)N1CCSC1 270004a_100011215254_100000210476 [0,1,0,1,0,0|1,1,0]=4 12608 B12R1.54 CC(C)CCN(C)C1CCCC1 2230a_100000207505_100000210312 [0,1,0,1,0,0|2,0,0]=4 12609 B12R1.54 CC(C)CCN(C)C1CCCC1 2230a_100000742789_100000179811 [0,1,0,1,0,0|2,0,0]=4 12610 B12R1.54 CC(C)CCN(C)C1CCCC1 269982a_100000207505_100000210312 [0,1,0,1,0,0|2,0,0]=4 12611 B12R1.54 CC(C)CCN(C)C1CCCC1 269982a_100000742789_100000179811 [0,1,0,1,0,0|2,0,0]=4 12612 B12R1.54 CC(C)CCN(C)C1CCCC1 270004a_100000742789_100000210133 [0,1,0,1,0,0|2,0,0]=4 12613 B12R1.54 CC(C)CCN(C)C1CCCC1 34a_100000207505_100000210312 [0,1,0,1,0,0|2,0,0]=4 12614 B12R1.54 CC(C)CCN(C)C1CCOC1 2230a_100000742789_100000731011 [0,1,0,1,0,0|1,0,0]=3 12615 B12R1.54 CC(C)CCN(C)C1CCOC1 2230a_100016988252_100000210312 [0,1,0,1,0,0|1,0,0]=3 12616 B12R1.54 CC(C)CCN(C)C1CCOC1 269982a_100000742789_100000731011 [0,1,0,1,0,0|1,0,0]=3 12617 B12R1.54 CC(C)CCN(C)C1CCOC1 269982a_100016988252_100000210312 [0,1,0,1,0,0|1,0,0]=3 12618 B12R1.54 CC(C)CCN(C)C1CCOC1 270004a_100000742789_100000752484 [0,1,0,1,0,0|1,0,0]=3 12619 B12R1.54 CC(C)CCN(C)C1CCOC1 34a_100016988252_100000210312 [0,1,0,1,0,0|1,0,0]=3 12620 B12R1.54 CC(C)CCN(C)C1CCSC1 270004a_100000742789_100000212027 [0,1,0,1,0,0|1,1,0]=4 12621 B12R1.54 CC(C)CNC(=O)C1CCOC1 11a_100000210953_100011219752 [0,1,0,1,0,0|1,0,1]=4 12622 B12R1.54 CC(C)CNC(=O)C1CCOC1 1626a_100000210953_100011219752 [0,1,0,1,0,0|1,0,1]=4 12623 B12R1.54 CC(C)CNC(=O)C1CCOC1 240690a_100000210953_100011219752 [0,1,0,1,0,0|1,0,1]=4 12624 B12R1.54 CC(C)CNC(=O)C1CCOC1 527a_100000210953_100011219752 [0,1,0,1,0,0|1,0,1]=4 12625 B12R1.54 CC(C)CNC(C)C1CCCC1 2230a_100015185923_100000210760 [0,1,0,1,0,0|2,0,0]=4 12626 B12R1.54 CC(C)CNC(C)C1CCCC1 269862a_100000210953_100000749594 [0,1,0,1,0,0|2,0,0]=4 12627 B12R1.54 CC(C)CNC(C)C1CCCC1 270004a_100000210953_100000749594 [0,1,0,1,0,0|2,0,0]=4 12628 B12R1.54 CC(C)CNC(C)C1CCCC1 270004a_100015185923_100000210432 [0,1,0,1,0,0|2,0,0]=4 12629 B12R1.54 CC(C)CNC(C)C1CCCC1 34a_100015185923_100000210624 [0,1,0,1,0,0|2,0,0]=4 12630 B12R1.54 CC(C)COC(C)C1CCCC1 34a_100011216366_100000210624 [0,1,0,1,0,0|2,0,0]=4 12631 B12R1.54 CC(C)COC(C)C1CCCC1 7a_100011216366_100000210760 [0,1,0,1,0,0|2,0,0]=4 12632 B12R1.54 CC(C)OCC(=O)C1CCOC1 1458a_100000745533_100000690089 [0,1,0,1,0,0|1,0,1]=4 12633 B12R1.54 CC(C)OCN(C)C1CCOC1 2230a_100016988252_100000709892 [0,1,0,1,0,0|2,0,0]=4 12634 B12R1.54 CC(C)OCN(C)C1CCOC1 269982a_100016988252_100000709892 [0,1,0,1,0,0|2,0,0]=4 12635 B12R1.54 CC(C)OCN(C)C1CCOC1 34a_100016988252_100000709892 [0,1,0,1,0,0|2,0,0]=4 12636 B12R1.54 CC(C)SCC(=O)C1CCOC1 1458a_100000241585_100000690089 [0,1,0,1,0,0|1,0,1]=4 12637 B12R1.54 CC(O)CCC(=O)C1CCOC1 1458a_100011219752_100012276601 [0,1,0,1,0,0|1,0,1]=4 12638 B12R1.54 CC(O)CCN(C)C1CCOC1 2230a_100016988252_100012276601 [0,1,0,1,0,0|2,0,0]=4 12639 B12R1.54 CC(O)CCN(C)C1CCOC1 269982a_100016988252_100012276601 [0,1,0,1,0,0|2,0,0]=4 12640 B12R1.54 CC(O)CCN(C)C1CCOC1 34a_100016988252_100012276601 [0,1,0,1,0,0|2,0,0]=4 12641 B12R1.54 CN(C)CCN(C)C1CCOC1 269982a_100000225618_100000731011 [0,1,0,1,0,0|2,0,0]=4 12642 B12R1.54 CN(C)CCN(C)C1CCOC1 269982a_100016988252_100000755713 [0,1,0,1,0,0|2,0,0]=4 12643 B12R1.54 CN(C)CCN(C)C1CCOC1 270004a_100000225618_100000752484 [0,1,0,1,0,0|2,0,0]=4 12644 B12R1.54 C[S+](C)CCC(=O)C1CCOC1 1458a_100009452791_100000690089 [0,1,0,1,0,0|1,0,1]=4 12645 B12R1.125 CC(C)CCN1CCCCC1C 2230a_100000211376_100000210312 [0,1,0,1,0,0|2,0,0]=4 12646 B12R1.125 CC(C)CCN1CCCCC1C 269982a_100000211376_100000210312 [0,1,0,1,0,0|2,0,0]=4 12647 B12R1.125 CC(C)CCN1CCCCC1C 34a_100000211376_100000210312 [0,1,0,1,0,0|2,0,0]=4 12648 B12R1.125 CC(C)CCN1CCOC[C@@H]1C 2230a_100009815349_100000210312 [0,1,0,1,0,0|2,0,0]=4 12649 B12R1.125 CC(C)CCN1CCOC[C@@H]1C 269982a_100009815349_100000210312 [0,1,0,1,0,0|2,0,0]=4 12650 B12R1.125 CC(C)CCN1CCOC[C@@H]1C 34a_100009815349_100000210312 [0,1,0,1,0,0|2,0,0]=4 12651 B12R1.125 CC(C)CNC1CCCCC1C 2230a_100000211402_100000210760 [0,1,0,1,0,0|2,0,0]=4 12652 B12R1.125 CC(C)CNC1CCCCC1C 269862a_100000210953_100000210921 [0,1,0,1,0,0|2,0,0]=4 12653 B12R1.125 CC(C)CNC1CCCCC1C 270004a_100000210953_100000210921 [0,1,0,1,0,0|2,0,0]=4 12654 B12R1.125 CC(C)CNC1CCCCC1C 270004a_100000211402_100000210432 [0,1,0,1,0,0|2,0,0]=4 12655 B12R1.125 CC(C)CNC1CCCCC1C 34a_100000211402_100000210624 [0,1,0,1,0,0|2,0,0]=4 12656 B12R1.125 CC(C)CNC1CCNCC1C 270004a_100000210953_100000703950 [0,1,0,1,0,0|2,0,0]=4 12657 B12R1.125 CC(C)CNC1CCOCC1C 270004a_100000210953_100000755695 [0,1,0,1,0,0|2,0,0]=4 12658 B12R1.125 CC(C)CN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210760 [0,1,0,1,0,0|2,0,0]=4 12659 B12R1.125 CC(C)CN[C@H]1COCC[C@@H]1O 270004a_100015739063_100000210432 [0,1,0,1,0,0|2,0,0]=4 12660 B12R1.125 CC(C)COC1CCCCC1C 34a_100000211207_100000210624 [0,1,0,1,0,0|2,0,0]=4 12661 B12R1.125 CC(C)COC1CCCCC1C 7a_100000211207_100000210760 [0,1,0,1,0,0|2,0,0]=4 12662 B12R1.125 CC(C)COC1CCNCC1C 34a_100011998114_100000210624 [0,1,0,1,0,0|2,0,0]=4 12663 B12R1.125 CC(C)COC1CNCCC1C 34a_100000696640_100000210624 [0,1,0,1,0,0|2,0,0]=4 12664 B12R1.125 CC(C)CO[C@H]1COCC[C@H]1N 34a_100016994285_100000210624 [0,1,0,1,0,0|2,0,0]=4 12665 B12R1.125 CC(C)OCC1COCCC1N 34a_214813039666_100000210206 [0,1,0,1,0,0|2,0,0]=4 12666 B12R1.125 CC(C)OCC1COCCN1C 34a_100013547906_100000210206 [0,1,0,1,0,0|2,0,0]=4 12667 B12R1.221 CC(C)CCC(=O)C1CC(C1)C 1458a_100000686124_100000210312 [0,1,0,1,0,0|1,0,1]=4 12668 B12R1.221 CC(C)CCC(=O)C1CC(C1)F 1458a_100000062598_100000210312 [0,1,0,1,0,0|1,0,1]=4 12669 B12R1.221 CC(C)CCC(=O)N1CC(C1)O 11a_100000749847_100000181311 [0,1,0,1,0,0|1,0,1]=4 12670 B12R1.221 CC(C)CCC(=O)N1CC(C1)O 240690a_100000749847_100000181311 [0,1,0,1,0,0|1,0,1]=4 12671 B12R1.221 CC(C)CCC(=O)N1CC(C1)O 527a_100000749847_100000181311 [0,1,0,1,0,0|1,0,1]=4 12672 B12R1.221 CC(C)CCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210312 [0,1,0,1,0,0|0,0,1]=3 12673 B12R1.221 CC(C)CCC(C)N1CC(C1)C 2230a_100000702820_100011261404 [0,1,0,1,0,0|2,0,0]=4 12674 B12R1.221 CC(C)CCC(C)N1CC(C1)C 269982a_100000702820_100011261404 [0,1,0,1,0,0|2,0,0]=4 12675 B12R1.221 CC(C)CCC(C)N1CC(C1)C 270004a_100000702820_100000210476 [0,1,0,1,0,0|2,0,0]=4 12676 B12R1.221 CC(C)CCC(C)N1CC(C1)C 34a_100000702820_100011261404 [0,1,0,1,0,0|2,0,0]=4 12677 B12R1.221 CC(C)CCC(C)N1CC(C1)F 2230a_100000690557_100011261404 [0,1,0,1,0,0|2,0,0]=4 12678 B12R1.221 CC(C)CCC(C)N1CC(C1)F 269982a_100000690557_100011261404 [0,1,0,1,0,0|2,0,0]=4 12679 B12R1.221 CC(C)CCC(C)N1CC(C1)F 270004a_100000690557_100000210476 [0,1,0,1,0,0|2,0,0]=4 12680 B12R1.221 CC(C)CCC(C)N1CC(C1)F 34a_100000690557_100011261404 [0,1,0,1,0,0|2,0,0]=4 12681 B12R1.221 CC(C)CCC(C)N1CC(C1)O 269982a_100000749847_100011261404 [0,1,0,1,0,0|1,0,0]=3 12682 B12R1.221 CC(C)CNC(=O)[C@H]1C[C@H](C1)O 240690a_100000210953_100015266633 [0,1,0,1,0,0|1,0,1]=4 12683 B12R1.221 CC(C)CNC(=O)[C@H]1C[C@H](C1)O 527a_100000210953_100015266633 [0,1,0,1,0,0|1,0,1]=4 12684 B12R1.221 CC(O)CCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100012276601 [0,1,0,1,0,0|1,0,1]=4 12685 B12R1.224 CC(C)NC1CCCC(C1C)C 2230a_100000211273_100000210206 [0,1,0,1,0,0|2,0,0]=4 12686 B12R1.224 CC(C)NC1CCCC(C1C)C 34a_100000211273_100000210206 [0,1,0,1,0,0|2,0,0]=4 12687 B12R1.224 CC(C)OC1CCCC(C1C)C 34a_100011217532_100000210206 [0,1,0,1,0,0|2,0,0]=4 12688 B12R1.224 CC(C)OC1CCCC(C1C)C 7a_100011217532_100000210206 [0,1,0,1,0,0|2,0,0]=4 12689 B12R1.397 CCC1CC1C(=O)CCC(C)C 1458a_200011661523_100000210312 [0,1,0,1,0,0|1,0,1]=4 12690 B12R1.556 CC(CCO)C(=O)CCC1CC1 1458a_100000756386_100009893172 [0,1,0,1,0,0|0,0,1]=3 12691 B12R1.556 CC(CCO)N(C)CCC1CC1 2230a_100000731037_100000694398 [0,1,0,1,0,0|1,0,0]=3 12692 B12R1.556 CC(CCO)N(C)CCC1CC1 269982a_100000731037_100000694398 [0,1,0,1,0,0|1,0,0]=3 12693 B12R1.556 CC(CCO)N(C)CCC1CO1 2230a_100000731037_100000732470 [0,1,0,1,0,0|2,0,0]=4 12694 B12R1.556 CC(CCO)N(C)CCC1CO1 269982a_100000731037_100000732470 [0,1,0,1,0,0|2,0,0]=4 12695 B12R1.556 CCCC(C)C(=O)CCC1CC1 1458a_100000210906_100000694398 [0,1,0,1,0,0|1,0,1]=4 12696 B12R1.556 CCCC(C)C(=O)CCC1CC1 1458a_100000756386_100000766640 [0,1,0,1,0,0|1,0,1]=4 12697 B12R1.556 CCCC(C)C(C)NCC1CC1 270004a_100000735609_100011216282 [0,1,0,1,0,0|2,0,0]=4 12698 B12R1.556 CCCC(C)C(C)OCC1CC1 34a_100000708338_100000742324 [0,1,0,1,0,0|2,0,0]=4 12699 B12R1.556 CCCC(C)C(C)OCC1CC1 7a_100000708338_100000742324 [0,1,0,1,0,0|2,0,0]=4 12700 B12R1.556 CN(CCO)C(=O)CCC1CC1 240690a_100000210263_100000756386 [0,1,0,1,0,0|1,0,1]=4 12701 B12R1.556 CN(CCO)C(=O)CCC1CC1 527a_100000210263_100000756386 [0,1,0,1,0,0|1,0,1]=4 12702 B12R1.558 CC(CCO)C(=O)C1CC(C1)F 1458a_100000062598_100009893172 [0,1,0,1,0,0|1,0,1]=4 12703 B12R1.558 CC(CCO)C(=O)C1CN(C1)C 1458a_100012002723_100009893172 [0,1,0,1,0,0|1,0,1]=4 12704 B12R1.558 CC(CCO)C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100009893172 [0,1,0,1,0,0|1,0,1]=4 12705 B12R1.558 CC1CC(C1)C(=O)C(C)CCO 1458a_100000686124_100009893172 [0,1,0,1,0,0|0,0,1]=3 12706 B12R1.558 CC1CC(C1)C(=O)N(C)CCO 240690a_100000210263_100000686124 [0,1,0,1,0,0|1,0,1]=4 12707 B12R1.558 CC1CC(C1)C(=O)N(C)CCO 527a_100000210263_100000686124 [0,1,0,1,0,0|1,0,1]=4 12708 B12R1.558 CCCC(C)C(=O)C1CC(C1)C 1458a_100000686124_100000766640 [0,1,0,1,0,0|1,0,1]=4 12709 B12R1.558 CCCC(C)C(C)N1CC(C1)C 270004a_100000702820_100011216282 [0,1,0,1,0,0|2,0,0]=4 12710 B12R1.1566 CC(CCO)N1CC(C1)N(C)C 269982a_100000694738_100009893172 [0,1,0,1,0,0|2,0,0]=4 12711 B12R1.1580 CC(CCO)N1CCC(C1)(C)C 2230a_100000764714_100009893172 [0,1,0,1,0,0|1,0,0]=3 12712 B12R1.1580 CC(CCO)N1CCC(C1)(C)C 269982a_100000764714_100009893172 [0,1,0,1,0,0|1,0,0]=3 12713 B12R1.1580 CC(CCO)N1CCC(C1)(C)O 2230a_100000718628_100009893172 [0,1,0,1,0,0|1,0,0]=3 12714 B12R1.1580 CC(CCO)N1CCC(C1)(C)O 269982a_100000718628_100009893172 [0,1,0,1,0,0|1,0,0]=3 12715 B12R1.1580 CC(CCO)N1CCC(C1)(F)F 2230a_100000697292_100009893172 [0,1,0,1,0,0|2,0,0]=4 12716 B12R1.1580 CC(CCO)N1CCC(C1)(F)F 269982a_100000697292_100009893172 [0,1,0,1,0,0|2,0,0]=4 12717 B12R1.1580 CC(CCO)N1CCC(C1)(F)F 34a_100000697292_100009893172 [0,1,0,1,0,0|2,0,0]=4 12718 B12R1.1580 CCCC(C)N1CCC(C1)(C)C 2230a_100000764714_100000766640 [0,1,0,1,0,0|2,0,0]=4 12719 B12R1.1580 CCCC(C)N1CCC(C1)(C)C 269982a_100000764714_100000766640 [0,1,0,1,0,0|2,0,0]=4 12720 B12R1.1580 CCCC(C)N1CCC(C1)(C)C 270004a_100000764714_100000211909 [0,1,0,1,0,0|2,0,0]=4 12721 B12R1.1580 CCCC(C)N1CCC(C1)(C)O 2230a_100000718628_100000766640 [0,1,0,1,0,0|2,0,0]=4 12722 B12R1.1580 CCCC(C)N1CCC(C1)(C)O 269982a_100000718628_100000766640 [0,1,0,1,0,0|2,0,0]=4 12723 B12R1.1580 CCCC(C)N1CCC(C1)(C)O 270004a_100000718628_100000211909 [0,1,0,1,0,0|2,0,0]=4 12724 B12R1.1580 CCCN(C)C1CCC(C1)(C)C 270004a_100000747261_100000759959 [0,1,0,1,0,0|2,0,0]=4 12725 B12R1.1580 CN(CCO)C1CCC(C1)(C)C 270004a_100000210263_100000759959 [0,1,0,1,0,0|1,0,0]=3 12726 B12R1.1812 CC(C)CCC(C)C(=O)C1CO1 1458a_100000701028_100011261404 [0,1,0,1,0,0|1,0,1]=4 12727 B12R1.1812 CC(C)CCC(C)N(C)C1CC1 2230a_100000226674_100011261404 [0,1,0,1,0,0|2,0,0]=4 12728 B12R1.1812 CC(C)CCC(C)N(C)C1CC1 269982a_100000226674_100011261404 [0,1,0,1,0,0|2,0,0]=4 12729 B12R1.1812 CC(C)CCC(C)N(C)C1CC1 270004a_100000226674_100000210476 [0,1,0,1,0,0|2,0,0]=4 12730 B12R1.1812 CC(C)CCN(C)C(C)C1CO1 270004a_100000742789_100000031964 [0,1,0,1,0,0|1,0,0]=3 12731 B12R1.1812 CC(C1CO1)N(C)CCN(C)C 270004a_100000225618_100000031964 [0,1,0,1,0,0|2,0,0]=4 12732 B12R1.2243 CC(C)CCC(=O)C1(CCC1)C 1458a_100000684636_100000210312 [0,1,0,1,0,0|1,0,1]=4 12733 B12R1.2245 CC(CCO)C(=O)[C@H]1CC1(C)C 1458a_100000692687_100009893172 [0,1,0,1,0,0|0,0,1]=3 12734 B12R1.2245 CCCC(C)C(=O)[C@H]1CC1(C)C 1458a_100000692687_100000766640 [0,1,0,1,0,0|1,0,1]=4 12735 B12R1.2245 CN(CCO)C(=O)[C@H]1CC1(C)C 240690a_100000210263_100000692687 [0,1,0,1,0,0|1,0,1]=4 12736 B12R1.2245 CN(CCO)C(=O)[C@H]1CC1(C)C 527a_100000210263_100000692687 [0,1,0,1,0,0|1,0,1]=4 12737 B12R1.514 CC1CN(C1)C[N+](C)(C)CCO 269982a_100000702820_200010270792 [0,1,0,1,0,0|2,0,0]=4 12738 B12R1.516 CC(C)(CCBr)OCCC1CC1 7a_100000702414_100000764125 [0,1,0,1,0,0|2,0,0]=4 12739 B12R1.516 CCCC(C)(C)COCC1CC1 7a_100011995695_100000742324 [0,1,0,1,0,0|2,0,0]=4 12740 B12R1.516 CCCC(C)(C)OCCC1CC1 7a_100000748436_100000764125 [0,1,0,1,0,0|2,0,0]=4 12741 B12R1.516 C[N+](C)(CCO)CSCC1CC1 62a_100000756562_200010270792 [0,1,0,1,0,0|2,0,0]=4 12742 B12R1.516 C[N+](C)(CCO)CSCC1CC1 62a_200010270792_100000742324 [0,1,0,1,0,0|2,0,0]=4 12743 B12R1.924 CC(C)CCN1CCCC1(C)C 2230a_100000761399_100000210312 [0,1,0,1,0,0|2,0,0]=4 12744 B12R1.924 CC(C)CCN1CCCC1(C)C 269982a_100000761399_100000210312 [0,1,0,1,0,0|2,0,0]=4 12745 B12R1.924 CC(C)CCN1CCCC1(C)C 34a_100000761399_100000210312 [0,1,0,1,0,0|2,0,0]=4 12746 B12R1.924 CC(C)CNC1CCCC1(C)C 269862a_100000210953_100000065263 [0,1,0,1,0,0|2,0,0]=4 12747 B12R1.924 CC(C)CN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210760 [0,1,0,1,0,0|2,0,0]=4 12748 B12R1.924 CC(C)CN[C@@H]1CCC[C@@]1(C)O 270004a_100015977457_100000210432 [0,1,0,1,0,0|2,0,0]=4 12749 B12R1.924 CC(C)CN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210624 [0,1,0,1,0,0|2,0,0]=4 12750 B12R1.924 CC(C)COC1CCCC1(C)C 34a_100000726220_100000210624 [0,1,0,1,0,0|2,0,0]=4 12751 B12R1.924 CC(C)COC1CCCC1(C)C 7a_100000726220_100000210760 [0,1,0,1,0,0|2,0,0]=4 12752 B12R1.1348 CC(C)CCNC(C)(C)C1CC1 2230a_100000695267_100000210312 [0,1,0,1,0,0|2,0,0]=4 12753 B12R1.1809 CC(=O)CCCC1(OCCO1)C 1458a_100000070787_100000037737 [0,1,0,1,0,0|1,0,1]=4 12754 B12R1.1809 CC(C)CCNC1(CCOC1)C 2230a_100000693475_100000210312 [0,1,0,1,0,0|1,0,0]=3 12755 B12R1.1809 CC(C)CCOC1(CCCC1)C 34a_100000751722_100000210312 [0,1,0,1,0,0|2,0,0]=4 12756 B12R1.1809 CC(C)CCOC1(CCCC1)C 7a_100000751722_100000210626 [0,1,0,1,0,0|2,0,0]=4 12757 B12R1.1809 CC(C)CNCC1(CCCC1)O 2230a_100000737848_100000210760 [0,1,0,1,0,0|2,0,0]=4 12758 B12R1.1809 CC(C)CNCC1(CCCC1)O 270004a_100000737848_100000210432 [0,1,0,1,0,0|2,0,0]=4 12759 B12R1.1809 CC(C)CNCC1(OCCO1)C 2230a_100000691740_100000210760 [0,1,0,1,0,0|1,0,0]=3 12760 B12R1.1809 CC(C)CNCC1(OCCO1)C 270004a_100000691740_100000210432 [0,1,0,1,0,0|1,0,0]=3 12761 B12R1.1809 CC(C)COCC1(CCCC1)N 34a_100000749328_100000210624 [0,1,0,1,0,0|2,0,0]=4 12762 B12R1.1809 CC(C)COC[C@@]1(CCCN1)C 34a_100016195882_100000210624 [0,1,0,1,0,0|2,0,0]=4 12763 B12R1.1809 CC(C)CSCC1(OCCO1)C 62a_100000210624_100009818610 [0,1,0,1,0,0|1,0,0]=3 12764 B12R1.1809 CC(C)CSCC1(OCCO1)C 62a_100009818610_100000210760 [0,1,0,1,0,0|1,0,0]=3 12765 B12R1.1809 CC(C)NCCC1(CCCC1)O 34a_100000719956_100000210206 [0,1,0,1,0,0|2,0,0]=4 12766 B12R1.1809 CC(C)NCCC1(OCCO1)C 2230a_100000073055_100000210206 [0,1,0,1,0,0|1,0,0]=3 12767 B12R1.1809 CC(C)NCCC1(OCCO1)C 2230a_100138425928_100000758764 [0,1,0,1,0,0|1,0,0]=3 12768 B12R1.1809 CC(C)NCCC1(OCCO1)C 34a_100138425928_100000758764 [0,1,0,1,0,0|1,0,0]=3 12769 B12R1.1809 CC(C)OCCC1(OCCO1)C 34a_100000212225_100000758764 [0,1,0,1,0,0|1,0,0]=3 12770 B12R1.1809 CC(C)OCCC1(OCCO1)C 7a_100009861814_100000210206 [0,1,0,1,0,0|1,0,0]=3 12771 B12R1.1809 CC(C)OCNC1(CCOC1)C 2230a_100000693475_100000709892 [0,1,0,1,0,0|2,0,0]=4 12772 B12R1.1809 CC(C)SCCC1(OCCO1)C 62a_100000210206_100000758764 [0,1,0,1,0,0|1,0,0]=3 12773 B12R1.1809 CC(C)SCCC1(OCCO1)C 62a_100000758764_100000210206 [0,1,0,1,0,0|1,0,0]=3 12774 B12R1.1809 CC(O)CCNC1(CCOC1)C 2230a_100000693475_100012276601 [0,1,0,1,0,0|2,0,0]=4 12775 B12R1.1809 CC(O)CNCC1(OCCO1)C 2230a_100000691740_100011218427 [0,1,0,1,0,0|2,0,0]=4 12776 B12R1.1809 CC(O)CSCC1(OCCO1)C 62a_100009818610_100011218427 [0,1,0,1,0,0|2,0,0]=4 12777 B12R1.1809 CC(O)CSCC1(OCCO1)C 62a_100011218427_100009818610 [0,1,0,1,0,0|2,0,0]=4 12778 B12R1.1809 CN(C)CCCC1(OCCO1)C 2230a_100102631434_100000037737 [0,1,0,1,0,0|1,0,0]=3 12779 B12R1.1809 CN(C)CCCC1(OCCO1)C 269982a_100102631434_100000037737 [0,1,0,1,0,0|1,0,0]=3 12780 B12R1.1809 C[C@@H](O)CNCC1(OCCO1)C 2230a_100000691740_100009817552 [0,1,0,1,0,0|2,0,0]=4 12781 B12R1.1809 C[C@@H](O)CSCC1(OCCO1)C 62a_100009817552_100009818610 [0,1,0,1,0,0|2,0,0]=4 12782 B12R1.1809 C[C@@H](O)CSCC1(OCCO1)C 62a_100009818610_100009817552 [0,1,0,1,0,0|2,0,0]=4 12783 B12R1.2514 CC1(CCCC(N1CF)(C)C)C 269982a_100011193410_100015361967 [0,1,0,1,0,0|2,0,0]=4 12784 B12R1.2514 CC1(CCCC(N1CF)(C)C)C 34a_100011193410_100015361967 [0,1,0,1,0,0|2,0,0]=4 12785 B12R1.2514 CC1(CCCC(N1CF)(C)C)C 7a_100011193410_100015361967 [0,1,0,1,0,0|2,0,0]=4 12786 B12R1.2514 CCN1C(CCCC1(C)C)(C)C 269982a_100011193410_100000204670 [0,1,0,1,0,0|2,0,0]=4 12787 B12R1.2514 CCN1C(CCCC1(C)C)(C)C 34a_100011193410_100000210202 [0,1,0,1,0,0|2,0,0]=4 12788 B12R1.2514 CCN1C(CCCC1(C)C)(C)C 7a_100011193410_100000210202 [0,1,0,1,0,0|2,0,0]=4 12789 B12R1.3092 CC(C)N1CCCC(CC1)(C)O 2230a_100000723723_100000210206 [0,1,0,1,0,0|2,0,0]=4 12790 B12R1.3092 CC(C)N1CCCC(CC1)(C)O 269982a_100000723723_100000210206 [0,1,0,1,0,0|2,0,0]=4 12791 B12R1.3092 CC(C)N1CCCC(CC1)(C)O 34a_100000723723_100000210206 [0,1,0,1,0,0|2,0,0]=4 12792 B12R1.145 CC(C)C(C)NC1CCCC1C 269862a_100000211541_100000752053 [0,1,0,1,0,0|2,0,0]=4 12793 B12R1.225 CC(C)C(=O)C1CN(CCO1)C 1458a_100011543126_100000210206 [0,1,0,1,0,0|1,0,1]=4 12794 B12R1.225 CC1CCCC(C1)C(=O)C(C)C 1458a_100011215569_100000210206 [0,1,0,1,0,0|1,0,1]=4 12795 B12R1.225 CC1CCCC(C1)N(C)C(C)C 270004a_200000211004_100000183594 [0,1,0,1,0,0|2,0,0]=4 12796 B12R1.264 CC(C)C(=O)CCC1CCCC1 1458a_100000210198_100000760354 [0,1,0,1,0,0|1,0,1]=4 12797 B12R1.264 CC(C)C(=O)CCC1CCCC1 1458a_100000211120_100000210206 [0,1,0,1,0,0|1,0,1]=4 12798 B12R1.264 CC(C)C(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000753385 [0,1,0,1,0,0|1,0,1]=4 12799 B12R1.264 CC(C)C(=O)CN[C@H]1CCOC1 2230a_100015188467_100000753385 [0,1,0,1,0,0|1,0,1]=4 12800 B12R1.264 CC(C)C(=O)CN[C@H]1CCOC1 34a_100015188467_100000753385 [0,1,0,1,0,0|1,0,1]=4 12801 B12R1.264 CC(C)C(=O)CO[C@H]1CCOC1 34a_100000717292_100000753385 [0,1,0,1,0,0|1,0,1]=4 12802 B12R1.264 CC(C)C(=O)CSC1CCOC1 62a_100000753385_100000690089 [0,1,0,1,0,0|1,0,1]=4 12803 B12R1.264 CC(C)C(=O)NCC1CCOC1 11a_100000737293_100000210198 [0,1,0,1,0,0|1,0,1]=4 12804 B12R1.264 CC(C)C(=O)NCC1CCOC1 1626a_100000737293_100000210198 [0,1,0,1,0,0|1,0,1]=4 12805 B12R1.264 CC(C)C(=O)NCC1CCOC1 240690a_100000737293_100000210198 [0,1,0,1,0,0|1,0,1]=4 12806 B12R1.264 CC(C)C(=O)NCC1CCOC1 527a_100000737293_100000210198 [0,1,0,1,0,0|1,0,1]=4 12807 B12R1.264 CC(C)C(C)NCC1CCCC1 2230a_100000211541_100000740388 [0,1,0,1,0,0|2,0,0]=4 12808 B12R1.264 CC(C)C(C)NCC1CCCC1 269862a_100000211541_100000746403 [0,1,0,1,0,0|2,0,0]=4 12809 B12R1.264 CC(C)C(C)NCC1CCOC1 2230a_100000211541_100000702531 [0,1,0,1,0,0|1,0,0]=3 12810 B12R1.264 CC(C)C(C)OCC1CCCC1 7a_100000748068_100000740388 [0,1,0,1,0,0|2,0,0]=4 12811 B12R1.264 CC(C)C(C)OCC1CCOC1 7a_100000748068_100000702531 [0,1,0,1,0,0|1,0,0]=3 12812 B12R1.264 CC(C)C(O)CNC1CCCC1 2230a_100000759067_100000179811 [0,1,0,1,0,0|2,0,0]=4 12813 B12R1.264 CC(C)C(O)CNC1CCCC1 270004a_100000759067_100000210133 [0,1,0,1,0,0|2,0,0]=4 12814 B12R1.264 CC(C)C(O)CNC1CCCC1 34a_100000759067_100000179811 [0,1,0,1,0,0|2,0,0]=4 12815 B12R1.264 CC(C)C(O)CNC1CCOC1 2230a_100000759067_100000731011 [0,1,0,1,0,0|1,0,0]=3 12816 B12R1.264 CC(C)C(O)CNC1CCOC1 270004a_100000759067_100000752484 [0,1,0,1,0,0|1,0,0]=3 12817 B12R1.264 CC(C)C(O)CNC1CCOC1 34a_100000759067_100000690089 [0,1,0,1,0,0|1,0,0]=3 12818 B12R1.264 CC(C)C(O)CNC1CCSC1 270004a_100000759067_100000212027 [0,1,0,1,0,0|1,1,0]=4 12819 B12R1.264 CC(C)N(C)CCC1CCCC1 269982a_200000211004_100000760354 [0,1,0,1,0,0|2,0,0]=4 12820 B12R1.264 CC(C)[C@@H](N)COC1CCCC1 34a_100011830312_100000179811 [0,1,0,1,0,0|2,0,0]=4 12821 B12R1.264 CC(C)[C@@H](N)COC1CCOC1 34a_100011830312_100000690089 [0,1,0,1,0,0|1,0,0]=3 12822 B12R1.314 CC(CCO)N1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100009893172 [0,1,0,1,0,0|2,0,0]=4 12823 B12R1.314 CC(CCO)N1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100009893172 [0,1,0,1,0,0|2,0,0]=4 12824 B12R1.314 CC(CCO)N1C[C@H]([C@H](C1)F)F 269982a_100103146936_100009893172 [0,1,0,1,0,0|2,0,0]=4 12825 B12R1.314 CC(CCO)N1C[C@H]([C@H](C1)F)F 34a_100103146936_100009893172 [0,1,0,1,0,0|2,0,0]=4 12826 B12R1.314 CC(CCO)N1C[C@H]([C@H](C1)O)C 2230a_200015306588_100009893172 [0,1,0,1,0,0|1,0,0]=3 12827 B12R1.314 CC(CCO)N1C[C@H]([C@H](C1)O)C 269982a_200015306588_100009893172 [0,1,0,1,0,0|1,0,0]=3 12828 B12R1.314 CC(CCO)N1C[C@H]([C@H](C1)O)O 2230a_100015207562_100009893172 [0,1,0,1,0,0|2,0,0]=4 12829 B12R1.314 CC(CCO)N1C[C@H]([C@H](C1)O)O 269982a_100015207562_100009893172 [0,1,0,1,0,0|2,0,0]=4 12830 B12R1.314 CCCC(C)N1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000766640 [0,1,0,1,0,0|2,0,0]=4 12831 B12R1.314 CCCC(C)N1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000766640 [0,1,0,1,0,0|2,0,0]=4 12832 B12R1.314 CCCC(C)N1C[C@H]([C@H](C1)O)C 270004a_200015306588_100000211909 [0,1,0,1,0,0|2,0,0]=4 12833 B12R1.545 CC1(CN(CCC1O)CCF)C 2230a_100000709803_100011217306 [0,1,0,1,0,0|2,0,0]=4 12834 B12R1.545 CC1(CN(CCC1O)CCF)C 269982a_100000709803_100011217306 [0,1,0,1,0,0|2,0,0]=4 12835 B12R1.545 CC1(CN(CCC1O)CCF)C 34a_100000709803_100011217306 [0,1,0,1,0,0|2,0,0]=4 12836 B12R1.545 CC1(CN(CCC1O)CCO)C 2230a_100000709803_100000211926 [0,1,0,1,0,0|1,0,0]=3 12837 B12R1.545 CC1(CN(CCC1O)CCO)C 269982a_100000709803_100000211926 [0,1,0,1,0,0|1,0,0]=3 12838 B12R1.545 CC1(CN(CCC1O)CCO)C 34a_100000709803_100000211926 [0,1,0,1,0,0|1,0,0]=3 12839 B12R1.545 CCCN1CCC(C(C1)(C)C)O 2230a_100000709803_100000210303 [0,1,0,1,0,0|2,0,0]=4 12840 B12R1.545 CCCN1CCC(C(C1)(C)C)O 269982a_100000709803_100000210303 [0,1,0,1,0,0|2,0,0]=4 12841 B12R1.545 CCCN1CCC(C(C1)(C)C)O 34a_100000709803_100000210303 [0,1,0,1,0,0|2,0,0]=4 12842 B12R1.545 CCN[C@H]1CC[C@@H](C(C1)(C)C)O 2230a_206256553148_100000210202 [0,1,0,1,0,0|2,0,0]=4 12843 B12R1.686 CC(CCO)NCC(O)C1CC1 2230a_100000751198_100009893172 [0,1,0,1,0,0|1,0,0]=3 12844 B12R1.686 CC(CCO)NCC(O)C1CC1 34a_100000751198_100009893172 [0,1,0,1,0,0|1,0,0]=3 12845 B12R1.686 CC(CCO)OCC(=O)C1CC1 34a_100000686663_100009893172 [0,1,0,1,0,0|1,0,1]=4 12846 B12R1.686 CC(CCO)OC[C@H](N)C1CC1 34a_100020623730_100009893172 [0,1,0,1,0,0|1,0,0]=3 12847 B12R1.686 CC(CCO)SCC(=O)C1CC1 62a_100000746382_100009893172 [0,1,0,1,0,0|1,0,1]=4 12848 B12R1.686 CC(CCO)SCC(=O)C1CC1 62a_100009893172_100000746382 [0,1,0,1,0,0|1,0,1]=4 12849 B12R1.686 CCCC(C)CNC(C)C1CC1 2230a_100000700016_100011216630 [0,1,0,1,0,0|2,0,0]=4 12850 B12R1.686 CCCC(C)CNC(C)C1CC1 270004a_100000700016_100000243154 [0,1,0,1,0,0|2,0,0]=4 12851 B12R1.686 CCCC(C)CNC(C)C1CC1 34a_100000700016_100011216630 [0,1,0,1,0,0|2,0,0]=4 12852 B12R1.686 CCCC(C)COC(C)C1CC1 34a_100000744524_100011216630 [0,1,0,1,0,0|2,0,0]=4 12853 B12R1.686 CCCC(C)COC(C)C1CC1 7a_100000744524_100011216630 [0,1,0,1,0,0|2,0,0]=4 12854 B12R1.686 CCCC(C)NCC(O)C1CC1 2230a_100000751198_100000766640 [0,1,0,1,0,0|2,0,0]=4 12855 B12R1.686 CCCC(C)NCC(O)C1CC1 270004a_100000751198_100000211909 [0,1,0,1,0,0|2,0,0]=4 12856 B12R1.686 CCCC(C)NCC(O)C1CC1 34a_100000751198_100000766640 [0,1,0,1,0,0|2,0,0]=4 12857 B12R1.686 CCCC(C)OC[C@H](N)C1CC1 34a_100020623730_100000766640 [0,1,0,1,0,0|2,0,0]=4 12858 B12R1.686 C[C@H](CCO)NCC(=O)C1CC1 2230a_100000706166_100000746382 [0,1,0,1,0,0|1,0,1]=4 12859 B12R1.686 C[C@H](CCO)NCC(=O)C1CC1 34a_100000706166_100000746382 [0,1,0,1,0,0|1,0,1]=4 12860 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 12861 B12R1.1039 CC(C)C(=O)NCC1CC(C1)O 11a_100016992100_100000210198 [0,1,0,1,0,0|1,0,1]=4 12862 B12R1.1039 CC(C)C(=O)NCC1CC(C1)O 240690a_100016992100_100000210198 [0,1,0,1,0,0|1,0,1]=4 12863 B12R1.1360 CC(C)C(O)CNC(C)C1CC1 269862a_100000759067_100000210639 [0,1,0,1,0,0|2,0,0]=4 12864 B12R1.1360 CC(C)C(O)CNC(C)C1CO1 270004a_100000759067_100000031964 [0,1,0,1,0,0|1,0,0]=3 12865 B12R1.2200 CC(C)C(C)NCC1(CCC1)C 2230a_100000211541_100000726658 [0,1,0,1,0,0|2,0,0]=4 12866 B12R1.2200 CC(C)C(C)OCC1(CCC1)C 7a_100000748068_100000726658 [0,1,0,1,0,0|2,0,0]=4 12867 B12R1.19 CC(C)CN1CCC(C(C1)C)O 2230a_100011998114_100000210760 [0,1,0,1,0,0|2,0,0]=4 12868 B12R1.19 CC(C)CN1CCC(C(C1)C)O 269982a_100011998114_100000210624 [0,1,0,1,0,0|2,0,0]=4 12869 B12R1.19 CC(C)OC1CCC(C(C1)C)C 34a_100011215933_100000210206 [0,1,0,1,0,0|2,0,0]=4 12870 B12R1.19 CC(C)OC1CCC(C(C1)C)C 7a_100011215933_100000210206 [0,1,0,1,0,0|2,0,0]=4 12871 B12R1.33 CC(CO)N(C)C1CCC(C1)O 270004a_100000693034_100012614533 [0,1,0,1,0,0|2,0,0]=4 12872 B12R1.33 CC(CO)N(C)C1CCN(C1)C 2230a_103436538152_100012180447 [0,1,0,1,0,0|2,0,0]=4 12873 B12R1.33 CC(CO)N(C)C1CCN(C1)C 269982a_100000693034_200012183744 [0,1,0,1,0,0|2,0,0]=4 12874 B12R1.33 CC1CCC(C1)N(C)C(C)CO 270004a_100000693034_100011215218 [0,1,0,1,0,0|1,0,0]=3 12875 B12R1.33 CCC(C)C(C)N1CC[C@H](C1)C 270004a_100016987628_100000210599 [0,1,0,1,0,0|2,0,0]=4 12876 B12R1.33 CCC(C)N(C)C1CCC(C1)C 270004a_100000741768_100011215218 [0,1,0,1,0,0|2,0,0]=4 12877 B12R1.33 C[C@H](CO)N(C)C1CCN(C1)C 269982a_103436538152_100016084084 [0,1,0,1,0,0|2,0,0]=4 12878 B12R1.359 CC(CO)N1CC[C@@H](C1)N(C)C 2230a_100016988096_100012180447 [0,1,0,1,0,0|2,0,0]=4 12879 B12R1.359 C[C@H](CO)N1CC[C@@H](C1)N(C)C 269982a_100016988096_100016084084 [0,1,0,1,0,0|2,0,0]=4 12880 B12R1.471 CC(CO)N(C)CCCC1CO1 2230a_100000693034_100000733510 [0,1,0,1,0,0|2,0,0]=4 12881 B12R1.471 CC(CO)N(C)CCCC1CO1 269982a_100000693034_100000733510 [0,1,0,1,0,0|2,0,0]=4 12882 B12R1.471 CCC(C)C(C)NCCC1CC1 269862a_100000764129_100000210599 [0,1,0,1,0,0|2,0,0]=4 12883 B12R1.471 CCC(C)C(C)NCCC1CC1 270004a_100000764129_100000210599 [0,1,0,1,0,0|2,0,0]=4 12884 B12R1.471 CCC(C)C(C)OCCC1CC1 7a_100011215189_100000764125 [0,1,0,1,0,0|2,0,0]=4 12885 B12R1.1357 CC(C)CCCC(=O)C1CCO1 1458a_100000089072_100011214892 [0,1,0,1,0,0|1,0,1]=4 12886 B12R1.1357 CC(C)CCCC(=O)C1COC1 1458a_100000758290_100011214892 [0,1,0,1,0,0|1,0,1]=4 12887 B12R1.1357 CC(C)CCCC(=O)C1COC1 1458a_100011216857_100000687716 [0,1,0,1,0,0|1,0,1]=4 12888 B12R1.1357 CC(C)CCCN(C)C1CCC1 2230a_100000758072_100011214892 [0,1,0,1,0,0|2,0,0]=4 12889 B12R1.1357 CC(C)CCCN(C)C1CCC1 269982a_100000758072_100011214892 [0,1,0,1,0,0|2,0,0]=4 12890 B12R1.1357 CC(C)CCCN(C)C1CCC1 34a_100000758072_100011214892 [0,1,0,1,0,0|2,0,0]=4 12891 B12R1.1357 CC(C)CCCN(C)C1COC1 2230a_100102693430_100011214892 [0,1,0,1,0,0|1,0,0]=3 12892 B12R1.1357 CC(C)CCCN(C)C1COC1 269982a_100102693430_100011214892 [0,1,0,1,0,0|1,0,0]=3 12893 B12R1.1357 CC(C)CCNC(C)C1CCC1 2230a_100016994624_100000210312 [0,1,0,1,0,0|2,0,0]=4 12894 B12R1.1357 CC(C)CCNC(C)C1CCC1 269862a_100000210545_100000760154 [0,1,0,1,0,0|2,0,0]=4 12895 B12R1.1357 CC(C)CCNC(C)C1CCC1 269862a_100016994624_100000185833 [0,1,0,1,0,0|2,0,0]=4 12896 B12R1.1357 CC(C)CCNC(C)C1CCC1 34a_100016994624_100000210312 [0,1,0,1,0,0|2,0,0]=4 12897 B12R1.1357 CC(C)CCOC(C)C1CCC1 34a_100000766398_100000210312 [0,1,0,1,0,0|2,0,0]=4 12898 B12R1.1357 CC(C)CCOC(C)C1CCC1 7a_100000766398_100000210626 [0,1,0,1,0,0|2,0,0]=4 12899 B12R1.1357 CC(C)COC[C@@H](N)C1COC1 34a_217856628679_100000210624 [0,1,0,1,0,0|2,0,0]=4 12900 B12R1.1357 CC(C)OCCN(C)C1COC1 2230a_100102693430_100000211751 [0,1,0,1,0,0|2,0,0]=4 12901 B12R1.1357 CC(C)OCCN(C)C1COC1 269982a_100102693430_100000211751 [0,1,0,1,0,0|2,0,0]=4 12902 B12R1.1357 CC(C)SCCN(C)C1COC1 2230a_100102693430_100000730970 [0,1,0,1,0,0|2,0,0]=4 12903 B12R1.1357 CC(C)SCCN(C)C1COC1 269982a_100102693430_100000730970 [0,1,0,1,0,0|2,0,0]=4 12904 B12R1.1357 CC(O)CCCN(C)C1COC1 2230a_100102693430_200000718107 [0,1,0,1,0,0|2,0,0]=4 12905 B12R1.1357 CC(O)CCCN(C)C1COC1 269982a_100102693430_200000718107 [0,1,0,1,0,0|2,0,0]=4 12906 B12R1.1357 CN(C)CCCN(C)C1COC1 269982a_100000225831_100000687716 [0,1,0,1,0,0|2,0,0]=4 12907 B12R1.1357 CN(C)CCCN(C)C1COC1 269982a_100102693430_100000757444 [0,1,0,1,0,0|2,0,0]=4 12908 B12R1.1358 CC(C)CCNC(C)C1(CC1)C 269862a_100000210545_100000184723 [0,1,0,1,0,0|2,0,0]=4 12909 B12R1.1358 CC(C)CCNC(C)C1(CC1)F 269862a_100000210545_100000052362 [0,1,0,1,0,0|2,0,0]=4 12910 B12R1.1658 CC(CO)N1CCCC(CC1)O 2230a_100015186869_100012180447 [0,1,0,1,0,0|2,0,0]=4 12911 B12R1.1658 CC(CO)N1CCCN(CC1)C 2230a_100000211313_100012180447 [0,1,0,1,0,0|2,0,0]=4 12912 B12R1.1658 CC1CCCN(CC1)C(=O)CO 240690a_100025706717_100000210174 [0,1,0,1,0,0|1,0,1]=4 12913 B12R1.1658 CC1CCCN(CC1)C(=O)CO 527a_100025706717_100000210174 [0,1,0,1,0,0|1,0,1]=4 12914 B12R1.1658 CC1CCCN(CC1)C(C)CO 2230a_100025706717_100012180447 [0,1,0,1,0,0|1,0,0]=3 12915 B12R1.1658 CC1CCCN(CC1)C(C)CO 34a_100025706717_100012180447 [0,1,0,1,0,0|1,0,0]=3 12916 B12R1.1658 CC1CCCN(CC1)[C@H](C)CO 269982a_100025706717_100016084084 [0,1,0,1,0,0|1,0,0]=3 12917 B12R1.1658 CCC(C)N1CCCC(CC1)C 2230a_100025706717_100000758301 [0,1,0,1,0,0|2,0,0]=4 12918 B12R1.1658 CCC(C)N1CCCC(CC1)C 269982a_100025706717_100000758301 [0,1,0,1,0,0|2,0,0]=4 12919 B12R1.1658 CCC(C)N1CCCC(CC1)C 34a_100025706717_100011215416 [0,1,0,1,0,0|2,0,0]=4 12920 B12R1.1658 COC(C)N1CCCC(CC1)C 269982a_100025706717_100009879195 [0,1,0,1,0,0|2,0,0]=4 12921 B12R1.1658 C[C@H](CO)N1CCCC(CC1)O 269982a_100015186869_100016084084 [0,1,0,1,0,0|2,0,0]=4 12922 B12R1.1658 C[C@H](CO)N1CCCN(CC1)C 269982a_100000211313_100016084084 [0,1,0,1,0,0|2,0,0]=4 12923 B12R1.1663 CC(C)CC1CN(C1)C(=O)CO 240690a_214813039686_100000210174 [0,1,0,1,0,0|1,0,1]=4 12924 B12R1.1663 CC(C)CC1CN(C1)C(=O)CO 527a_214813039686_100000210174 [0,1,0,1,0,0|1,0,1]=4 12925 B12R1.1663 CC(C)CC1CN(C1)C(C)CO 2230a_214813039686_100012180447 [0,1,0,1,0,0|1,0,0]=3 12926 B12R1.1663 CC(C)CC1CN(C1)C(C)CO 34a_214813039686_100012180447 [0,1,0,1,0,0|1,0,0]=3 12927 B12R1.1663 CC(C)CC1CN(C1)[C@H](C)CO 269982a_214813039686_100016084084 [0,1,0,1,0,0|1,0,0]=3 12928 B12R1.1663 CC(C)OC1CN(C1)C(C)CO 2230a_100000698322_100012180447 [0,1,0,1,0,0|2,0,0]=4 12929 B12R1.1663 CC(C)OC1CN(C1)C(C)CO 34a_100000698322_100012180447 [0,1,0,1,0,0|2,0,0]=4 12930 B12R1.1663 CC(C)OC1CN(C1)[C@H](C)CO 269982a_100000698322_100016084084 [0,1,0,1,0,0|2,0,0]=4 12931 B12R1.1663 CCC(C)N1CC(C1)CC(C)C 2230a_214813039686_100000758301 [0,1,0,1,0,0|2,0,0]=4 12932 B12R1.1663 CCC(C)N1CC(C1)CC(C)C 269982a_214813039686_100000758301 [0,1,0,1,0,0|2,0,0]=4 12933 B12R1.1663 CCC(C)N1CC(C1)CC(C)C 34a_214813039686_100011215416 [0,1,0,1,0,0|2,0,0]=4 12934 B12R1.1663 C[C@H](CO)N1CC(C1)CN(C)C 269982a_100015199603_100016084084 [0,1,0,1,0,0|2,0,0]=4 12935 B12R1.1707 CC(CO)N1CCCC(C1)(C)C 2230a_100000716857_100012180447 [0,1,0,1,0,0|1,0,0]=3 12936 B12R1.1707 CC(CO)N1CCCC(C1)(C)C 34a_100000716857_100012180447 [0,1,0,1,0,0|1,0,0]=3 12937 B12R1.1707 CC(CO)N1CCCC(C1)(C)O 2230a_100000695535_100012180447 [0,1,0,1,0,0|2,0,0]=4 12938 B12R1.1707 CC(CO)N1CCOC(C1)(C)C 2230a_100000738910_100012180447 [0,1,0,1,0,0|2,0,0]=4 12939 B12R1.1707 CC(CO)N1CCOC(C1)(C)C 34a_100000738910_100012180447 [0,1,0,1,0,0|2,0,0]=4 12940 B12R1.1707 CC1(CC(CCO1)C(=O)CO)C 1458a_100000210174_100010191092 [0,1,0,1,0,0|1,0,1]=4 12941 B12R1.1707 CC1(CCCN(C1)C(=O)CO)C 240690a_100000716857_100000210174 [0,1,0,1,0,0|1,0,1]=4 12942 B12R1.1707 CC1(CCCN(C1)C(=O)CO)C 527a_100000716857_100000210174 [0,1,0,1,0,0|1,0,1]=4 12943 B12R1.1707 CCC(C)N1CCCC(C1)(C)C 2230a_100000716857_100000758301 [0,1,0,1,0,0|2,0,0]=4 12944 B12R1.1707 CCC(C)N1CCCC(C1)(C)C 269982a_100000716857_100000758301 [0,1,0,1,0,0|2,0,0]=4 12945 B12R1.1707 CCC(C)N1CCCC(C1)(C)C 34a_100000716857_100011215416 [0,1,0,1,0,0|2,0,0]=4 12946 B12R1.1707 C[C@H](CO)N1CCCC(C1)(C)C 269982a_100000716857_100016084084 [0,1,0,1,0,0|1,0,0]=3 12947 B12R1.1707 C[C@H](CO)N1CCCC(C1)(C)O 269982a_100000695535_100016084084 [0,1,0,1,0,0|2,0,0]=4 12948 B12R1.1707 C[C@H](CO)N1CCOC(C1)(C)C 269982a_100000738910_100016084084 [0,1,0,1,0,0|2,0,0]=4 12949 B12R1.29 C=CCCC(C)N1CC[C@H](C1)C 270004a_100016987628_100000762624 [0,1,0,1,0,0|2,0,0]=4 12950 B12R1.29 C=CCCN(C)C1CCC(C1)C 270004a_100020639649_100011215218 [0,1,0,1,0,0|2,0,0]=4 12951 B12R1.29 CC1CCC(C1)N(C)CCC#N 270004a_100000184479_100011215218 [0,1,0,1,0,0|2,0,0]=4 12952 B12R1.29 CC1CCC(C1)N(C)CCCO 270004a_100000213112_100011215218 [0,1,0,1,0,0|1,0,0]=3 12953 B12R1.29 CCCCC(C)N1CC[C@H](C1)C 2230a_100016987628_200011215066 [0,1,0,1,0,0|2,0,0]=4 12954 B12R1.29 CCCCC(C)N1CC[C@H](C1)C 269982a_100016987628_200011215066 [0,1,0,1,0,0|2,0,0]=4 12955 B12R1.29 CCCCC(C)N1CC[C@H](C1)C 270004a_100016987628_100000210087 [0,1,0,1,0,0|2,0,0]=4 12956 B12R1.29 CCCCC(C)N1CC[C@H](C1)C 34a_100016987628_200011215066 [0,1,0,1,0,0|2,0,0]=4 12957 B12R1.29 CCCCN(C)C1CCC(C1)C 270004a_100000207549_100011215218 [0,1,0,1,0,0|2,0,0]=4 12958 B12R1.29 CCSCC(C)N1CC[C@H](C1)C 270004a_100016987628_200011216171 [0,1,0,1,0,0|2,0,0]=4 12959 B12R1.29 CN(CCCO)C1CCC(C1)O 270004a_100000213112_100012614533 [0,1,0,1,0,0|2,0,0]=4 12960 B12R1.29 CN1CCC(C1)N(C)CCCO 2230a_103436538152_100000230001 [0,1,0,1,0,0|2,0,0]=4 12961 B12R1.29 CN1CCC(C1)N(C)CCCO 269982a_100000213112_200012183744 [0,1,0,1,0,0|2,0,0]=4 12962 B12R1.29 CN1CCC(C1)N(C)CCCO 269982a_103436538152_100011215043 [0,1,0,1,0,0|2,0,0]=4 12963 B12R1.29 COCCC(C)N1CCC(C1)O 270004a_100011215560_100000742357 [0,1,0,1,0,0|2,0,0]=4 12964 B12R1.29 COCCC(C)N1CC[C@@H](C1)F 270004a_100015203821_100000742357 [0,1,0,1,0,0|2,0,0]=4 12965 B12R1.29 COCCC(C)N1CC[C@H](C1)C 270004a_100016987628_100000742357 [0,1,0,1,0,0|1,0,0]=3 12966 B12R1.29 COCCN(C)C1CCC(C1)C 270004a_100000743101_100011215218 [0,1,0,1,0,0|1,0,0]=3 12967 B12R1.29 COCCN(C)C1CCC(C1)O 270004a_100000743101_100012614533 [0,1,0,1,0,0|2,0,0]=4 12968 B12R1.29 COCCN(C)C1CCN(C1)C 2230a_103436538152_100011201679 [0,1,0,1,0,0|2,0,0]=4 12969 B12R1.29 COCCN(C)C1CCN(C1)C 269982a_100000743101_200012183744 [0,1,0,1,0,0|2,0,0]=4 12970 B12R1.29 COCCN(C)C1CCN(C1)C 269982a_103436538152_100000233755 [0,1,0,1,0,0|2,0,0]=4 12971 B12R1.29 CSCCC(C)N1CC[C@H](C1)C 270004a_100016987628_100011217047 [0,1,0,1,0,0|1,1,0]=4 12972 B12R1.29 CSCCN(C)C1CCC(C1)C 270004a_100000686725_100011215218 [0,1,0,1,0,0|1,1,0]=4 12973 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 12974 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 12975 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 12976 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 12977 B12R1.57 CC(C)[C@@H]1CC[C@H](C[C@H]1N[13CH3])C 2230a_100025773825_200025704644 [0,1,0,1,0,0|1,0,0]=3 12978 B12R1.57 CC(C)[C@@H]1CC[C@H](C[C@H]1N[13CH3])C 34a_100025773825_200025704644 [0,1,0,1,0,0|1,0,0]=3 12979 B12R1.57 CC(C)[C@H]1CC[C@@H](C[C@@H]1O[13CH3])C 34a_100000763588_200025704644 [0,1,0,1,0,0|0,0,0]=2 12980 B12R1.57 CC(C)[C@H]1CC[C@@H](C[C@@H]1O[13CH3])C 7a_100000763588_200025704644 [0,1,0,1,0,0|0,0,0]=2 12981 B12R1.57 CC(C)[C@H]1CC[C@@H](C[C@@H]1S[13CH3])C 62a_200009893639_200025704644 [0,1,0,1,0,0|0,1,0]=3 12982 B12R1.57 CC(C)[C@H]1CC[C@@H](C[C@@H]1S[13CH3])C 62a_200025704644_200009893639 [0,1,0,1,0,0|0,1,0]=3 12983 B12R1.57 CNC1C[C@@H](CC[C@H]1C(C)C)C 269862a_106832991636_100009815803 [0,1,0,1,0,0|1,0,0]=3 12984 B12R1.57 CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_200000210301 [0,1,0,1,0,0|1,0,0]=3 12985 B12R1.57 CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_200000210301 [0,1,0,1,0,0|1,0,0]=3 12986 B12R1.57 CN[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100102657272_200009893639 [0,1,0,1,0,0|1,0,0]=3 12987 B12R1.57 CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_200000210301 [0,1,0,1,0,0|0,0,0]=2 12988 B12R1.57 CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100138415774_200009893639 [0,1,0,1,0,0|0,0,0]=2 12989 B12R1.57 CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_200000210301 [0,1,0,1,0,0|0,0,0]=2 12990 B12R1.57 CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200000210301_200009893639 [0,1,0,1,0,0|0,1,0]=3 12991 B12R1.57 CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_200000210301 [0,1,0,1,0,0|0,1,0]=3 12992 B12R1.65 CC(C)CN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000210760 [0,1,0,1,0,0|2,0,0]=4 12993 B12R1.65 CC(C)CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000210624 [0,1,0,1,0,0|2,0,0]=4 12994 B12R1.65 CC(C)CN1C[C@@H](C[C@H]1CO)O 270004a_100000707816_100000210432 [0,1,0,1,0,0|2,0,0]=4 12995 B12R1.65 CC(C)CN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000210760 [0,1,0,1,0,0|2,0,0]=4 12996 B12R1.65 CC(C)CN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000210624 [0,1,0,1,0,0|2,0,0]=4 12997 B12R1.65 CC(C)CN1C[C@H](C[C@H]1CO)F 270004a_100015204000_100000210432 [0,1,0,1,0,0|2,0,0]=4 12998 B12R1.65 CC(C)CN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000210624 [0,1,0,1,0,0|2,0,0]=4 12999 B12R1.127 CC(C)CN1C[C@H](OC[C@H]1C)C 2230a_100016991869_100000210760 [0,1,0,1,0,0|2,0,0]=4 13000 B12R1.127 CC(C)CN1C[C@H](OC[C@H]1C)C 269982a_100016991869_100000210624 [0,1,0,1,0,0|2,0,0]=4 13001 B12R1.127 CC(C)CN1C[C@H](OC[C@H]1C)C 270004a_100016991869_100000210432 [0,1,0,1,0,0|2,0,0]=4 13002 B12R1.127 CC(C)CN1C[C@H](OC[C@H]1C)C 34a_100016991869_100000210624 [0,1,0,1,0,0|2,0,0]=4 13003 B12R1.127 CC1CCC(C(C1)OC(C)C)C 34a_100011217446_100000210206 [0,1,0,1,0,0|2,0,0]=4 13004 B12R1.127 CC1CCC(C(C1)OC(C)C)C 7a_100011217446_100000210206 [0,1,0,1,0,0|2,0,0]=4 13005 B12R1.332 C#CCCN1CC(C1)CC(C)C 2230a_214813039686_100000688953 [0,1,0,1,0,0|2,0,0]=4 13006 B12R1.332 C#CCCN1CC(C1)CC(C)C 269982a_214813039686_100000730999 [0,1,0,1,0,0|2,0,0]=4 13007 B12R1.332 C#CCCN1CC(C1)CC(C)C 34a_214813039686_100000688953 [0,1,0,1,0,0|2,0,0]=4 13008 B12R1.332 C=CCCN1CC(C1)CC(C)C 2230a_214813039686_100000754431 [0,1,0,1,0,0|2,0,0]=4 13009 B12R1.332 C=CCCN1CC(C1)CC(C)C 269982a_214813039686_100000754431 [0,1,0,1,0,0|2,0,0]=4 13010 B12R1.332 C=CCCN1CC(C1)CC(C)C 34a_214813039686_100000754431 [0,1,0,1,0,0|2,0,0]=4 13011 B12R1.332 CC(C)CC1CN(C1)CCC#N 2230a_214813039686_100011215226 [0,1,0,1,0,0|2,0,0]=4 13012 B12R1.332 CC(C)CC1CN(C1)CCC#N 269982a_214813039686_100011215226 [0,1,0,1,0,0|2,0,0]=4 13013 B12R1.332 CC(C)CC1CN(C1)CCCF 2230a_214813039686_100011934791 [0,1,0,1,0,0|2,0,0]=4 13014 B12R1.332 CC(C)CC1CN(C1)CCCF 269982a_214813039686_100011934791 [0,1,0,1,0,0|2,0,0]=4 13015 B12R1.332 CC(C)CC1CN(C1)CCCF 34a_214813039686_100011934791 [0,1,0,1,0,0|2,0,0]=4 13016 B12R1.332 CC(C)CC1CN(C1)CCCO 2230a_214813039686_100000230001 [0,1,0,1,0,0|1,0,0]=3 13017 B12R1.332 CC(C)CC1CN(C1)CCCO 269982a_214813039686_100011215043 [0,1,0,1,0,0|1,0,0]=3 13018 B12R1.332 CC(C)CC1CN(C1)CCCO 34a_214813039686_100000230001 [0,1,0,1,0,0|1,0,0]=3 13019 B12R1.332 CC(C)OC1CN(C1)CCCO 2230a_100000698322_100000230001 [0,1,0,1,0,0|2,0,0]=4 13020 B12R1.332 CC(C)OC1CN(C1)CCCO 269982a_100000698322_100011215043 [0,1,0,1,0,0|2,0,0]=4 13021 B12R1.332 CC(C)OC1CN(C1)CCCO 34a_100000698322_100000230001 [0,1,0,1,0,0|2,0,0]=4 13022 B12R1.332 CCCCN1CC(C1)CC(C)C 2230a_214813039686_100000210211 [0,1,0,1,0,0|2,0,0]=4 13023 B12R1.332 CCCCN1CC(C1)CC(C)C 269982a_214813039686_100000210211 [0,1,0,1,0,0|2,0,0]=4 13024 B12R1.332 CCCCN1CC(C1)CC(C)C 34a_214813039686_100000210210 [0,1,0,1,0,0|2,0,0]=4 13025 B12R1.332 CCCOC1CN(C1)CC(C)C 269982a_200020626125_100000210624 [0,1,0,1,0,0|2,0,0]=4 13026 B12R1.332 CCCOC1CN(C1)CC(C)C 270004a_200020626125_100000210432 [0,1,0,1,0,0|2,0,0]=4 13027 B12R1.332 CCCOC1CN(C1)CC(C)C 34a_200020626125_100000210624 [0,1,0,1,0,0|2,0,0]=4 13028 B12R1.332 CCOCN1CC(C1)CC(C)C 269982a_214813039686_100000739092 [0,1,0,1,0,0|2,0,0]=4 13029 B12R1.332 CN(C)CC1CN(C1)CCCO 269982a_100015199603_100011215043 [0,1,0,1,0,0|2,0,0]=4 13030 B12R1.332 COCCN1CC(C1)CC(C)C 2230a_214813039686_100011201679 [0,1,0,1,0,0|1,0,0]=3 13031 B12R1.332 COCCN1CC(C1)CC(C)C 269982a_214813039686_100000233755 [0,1,0,1,0,0|1,0,0]=3 13032 B12R1.332 COCCN1CC(C1)CC(C)C 34a_214813039686_100011201679 [0,1,0,1,0,0|1,0,0]=3 13033 B12R1.332 COCCN1CC(C1)CN(C)C 269982a_100015199603_100000233755 [0,1,0,1,0,0|2,0,0]=4 13034 B12R1.332 COCCN1CC(C1)OC(C)C 2230a_100000698322_100011201679 [0,1,0,1,0,0|2,0,0]=4 13035 B12R1.332 COCCN1CC(C1)OC(C)C 269982a_100000698322_100000233755 [0,1,0,1,0,0|2,0,0]=4 13036 B12R1.332 COCCN1CC(C1)OC(C)C 34a_100000698322_100011201679 [0,1,0,1,0,0|2,0,0]=4 13037 B12R1.332 CSCCN1CC(C1)CC(C)C 2230a_214813039686_100000751147 [0,1,0,1,0,0|1,1,0]=4 13038 B12R1.332 CSCCN1CC(C1)CC(C)C 269982a_214813039686_100000212216 [0,1,0,1,0,0|1,1,0]=4 13039 B12R1.332 CSCCN1CC(C1)CC(C)C 34a_214813039686_100000212216 [0,1,0,1,0,0|1,1,0]=4 13040 B12R1.337 CC(C)N1CCC(C1)CNCF 34a_100000743801_100015361967 [0,1,0,1,0,0|2,0,0]=4 13041 B12R1.337 CC(C)N1CCC(C1)COCF 34a_200011652538_100015361967 [0,1,0,1,0,0|2,0,0]=4 13042 B12R1.337 CC(C)N1CCC(C1)COCF 7a_200011652538_100015361967 [0,1,0,1,0,0|2,0,0]=4 13043 B12R1.337 CC(C)N1CCC(C1)CSCF 62a_100015187125_100015361967 [0,1,0,1,0,0|2,0,0]=4 13044 B12R1.337 CC(C)N1CCC(C1)CSCF 62a_100015361967_100015187125 [0,1,0,1,0,0|2,0,0]=4 13045 B12R1.337 CC(C)N1CCC(C1)NCCF 2230a_100000746141_100011217306 [0,1,0,1,0,0|2,0,0]=4 13046 B12R1.337 CC(C)N1CCC(C1)NCCO 2230a_100000746141_100000211926 [0,1,0,1,0,0|1,0,0]=3 13047 B12R1.337 CCCNC1CCN(C1)C(C)C 2230a_100000746141_100000210303 [0,1,0,1,0,0|2,0,0]=4 13048 B12R1.337 CCNCC1CCN(C1)C(C)C 2230a_100000743801_100000210202 [0,1,0,1,0,0|2,0,0]=4 13049 B12R1.337 CCNCC1CCN(C1)C(C)C 2230a_100015525214_100015187125 [0,1,0,1,0,0|2,0,0]=4 13050 B12R1.337 CCNCC1CCN(C1)C(C)C 34a_100000743801_100000210202 [0,1,0,1,0,0|2,0,0]=4 13051 B12R1.337 CCOCC1CCN(C1)C(C)C 34a_100121572206_100015187125 [0,1,0,1,0,0|2,0,0]=4 13052 B12R1.337 CCOCC1CCN(C1)C(C)C 34a_200011652538_100000210202 [0,1,0,1,0,0|2,0,0]=4 13053 B12R1.337 CCOCC1CCN(C1)C(C)C 7a_200011652538_100000210202 [0,1,0,1,0,0|2,0,0]=4 13054 B12R1.337 CCSCC1CCN(C1)C(C)C 62a_100000210202_100015187125 [0,1,0,1,0,0|2,0,0]=4 13055 B12R1.337 CCSCC1CCN(C1)C(C)C 62a_100015187125_100000210202 [0,1,0,1,0,0|2,0,0]=4 13056 B12R1.337 CN(C)[C@H]1CCN(C1)CCCO 2230a_100016988096_100000230001 [0,1,0,1,0,0|2,0,0]=4 13057 B12R1.337 CN(C)[C@H]1CCN(C1)CCCO 269982a_100016988096_100011215043 [0,1,0,1,0,0|2,0,0]=4 13058 B12R1.337 COCCN1CC[C@@H](C1)N(C)C 2230a_100016988096_100011201679 [0,1,0,1,0,0|2,0,0]=4 13059 B12R1.337 COCCN1CC[C@@H](C1)N(C)C 269982a_100016988096_100000233755 [0,1,0,1,0,0|2,0,0]=4 13060 B12R1.337 COCNC1CCN(C1)C(C)C 2230a_100000746141_100000766300 [0,1,0,1,0,0|2,0,0]=4 13061 B12R1.348 C#CCCN1CCCC(CC1)C 2230a_100025706717_100000688953 [0,1,0,1,0,0|2,0,0]=4 13062 B12R1.348 C#CCCN1CCCC(CC1)C 269982a_100025706717_100000730999 [0,1,0,1,0,0|2,0,0]=4 13063 B12R1.348 C#CCCN1CCCC(CC1)C 34a_100025706717_100000688953 [0,1,0,1,0,0|2,0,0]=4 13064 B12R1.348 C=CCCN1CCCC(CC1)C 2230a_100025706717_100000754431 [0,1,0,1,0,0|2,0,0]=4 13065 B12R1.348 C=CCCN1CCCC(CC1)C 269982a_100025706717_100000754431 [0,1,0,1,0,0|2,0,0]=4 13066 B12R1.348 C=CCCN1CCCC(CC1)C 34a_100025706717_100000754431 [0,1,0,1,0,0|2,0,0]=4 13067 B12R1.348 CC1CCCN(CC1)CCC#N 2230a_100025706717_100011215226 [0,1,0,1,0,0|2,0,0]=4 13068 B12R1.348 CC1CCCN(CC1)CCC#N 269982a_100025706717_100011215226 [0,1,0,1,0,0|2,0,0]=4 13069 B12R1.348 CC1CCCN(CC1)CCCF 2230a_100025706717_100011934791 [0,1,0,1,0,0|2,0,0]=4 13070 B12R1.348 CC1CCCN(CC1)CCCF 269982a_100025706717_100011934791 [0,1,0,1,0,0|2,0,0]=4 13071 B12R1.348 CC1CCCN(CC1)CCCF 34a_100025706717_100011934791 [0,1,0,1,0,0|2,0,0]=4 13072 B12R1.348 CC1CCCN(CC1)CCCO 2230a_100025706717_100000230001 [0,1,0,1,0,0|1,0,0]=3 13073 B12R1.348 CC1CCCN(CC1)CCCO 269982a_100025706717_100011215043 [0,1,0,1,0,0|1,0,0]=3 13074 B12R1.348 CC1CCCN(CC1)CCCO 34a_100025706717_100000230001 [0,1,0,1,0,0|1,0,0]=3 13075 B12R1.348 CCCCN1CCCC(CC1)C 2230a_100025706717_100000210211 [0,1,0,1,0,0|2,0,0]=4 13076 B12R1.348 CCCCN1CCCC(CC1)C 269982a_100025706717_100000210211 [0,1,0,1,0,0|2,0,0]=4 13077 B12R1.348 CCCCN1CCCC(CC1)C 34a_100025706717_100000210210 [0,1,0,1,0,0|2,0,0]=4 13078 B12R1.348 CCOCN1CCCC(CC1)C 269982a_100025706717_100000739092 [0,1,0,1,0,0|2,0,0]=4 13079 B12R1.348 CN1CCCN(CC1)CCCO 2230a_100000211313_100000230001 [0,1,0,1,0,0|2,0,0]=4 13080 B12R1.348 CN1CCCN(CC1)CCCO 269982a_100000211313_100011215043 [0,1,0,1,0,0|2,0,0]=4 13081 B12R1.348 COCCN1CCCC(CC1)C 2230a_100025706717_100011201679 [0,1,0,1,0,0|1,0,0]=3 13082 B12R1.348 COCCN1CCCC(CC1)C 269982a_100025706717_100000233755 [0,1,0,1,0,0|1,0,0]=3 13083 B12R1.348 COCCN1CCCC(CC1)C 34a_100025706717_100011201679 [0,1,0,1,0,0|1,0,0]=3 13084 B12R1.348 COCCN1CCCC(CC1)O 2230a_100015186869_100011201679 [0,1,0,1,0,0|2,0,0]=4 13085 B12R1.348 COCCN1CCCC(CC1)O 269982a_100015186869_100000233755 [0,1,0,1,0,0|2,0,0]=4 13086 B12R1.348 COCCN1CCCN(CC1)C 2230a_100000211313_100011201679 [0,1,0,1,0,0|2,0,0]=4 13087 B12R1.348 COCCN1CCCN(CC1)C 269982a_100000211313_100000233755 [0,1,0,1,0,0|2,0,0]=4 13088 B12R1.348 COCCN1CCCN(CC1)C 269982a_100102946628_200000210301 [0,1,0,1,0,0|2,0,0]=4 13089 B12R1.348 COCCN1CCCN(CC1)[13CH3] 269982a_100102946628_200025704644 [0,1,0,1,0,0|2,0,0]=4 13090 B12R1.348 CSCCN1CCCC(CC1)C 2230a_100025706717_100000751147 [0,1,0,1,0,0|1,1,0]=4 13091 B12R1.348 CSCCN1CCCC(CC1)C 269982a_100025706717_100000212216 [0,1,0,1,0,0|1,1,0]=4 13092 B12R1.348 CSCCN1CCCC(CC1)C 34a_100025706717_100000212216 [0,1,0,1,0,0|1,1,0]=4 13093 B12R1.348 OCCCN1CCCC(CC1)O 2230a_100015186869_100000230001 [0,1,0,1,0,0|2,0,0]=4 13094 B12R1.348 OCCCN1CCCC(CC1)O 269982a_100015186869_100011215043 [0,1,0,1,0,0|2,0,0]=4 13095 B12R1.430 CC(C)CCCN1CC(C1)CF 269982a_100010363649_100011214892 [0,1,0,1,0,0|2,0,0]=4 13096 B12R1.430 CC(C)CCCN1CC(C1)CF 34a_100010363649_100011214892 [0,1,0,1,0,0|2,0,0]=4 13097 B12R1.430 CC(C)CCCN1CC(C1)CO 269982a_100016987283_100011214892 [0,1,0,1,0,0|1,0,0]=3 13098 B12R1.430 CC(C)CCCN1CC(C1)CO 34a_100016987283_100011214892 [0,1,0,1,0,0|1,0,0]=3 13099 B12R1.430 CC(C)CCNC1CC(C1)C#N 270004a_100000210545_100000077199 [0,1,0,1,0,0|2,0,0]=4 13100 B12R1.430 CC(C)CCNC1CC(C1)CO 269862a_100000095622_100000185833 [0,1,0,1,0,0|1,0,0]=3 13101 B12R1.430 CC(C)CCNC1CC(C1)CO 270004a_100000210545_100000101936 [0,1,0,1,0,0|1,0,0]=3 13102 B12R1.430 CC(C)CCSC1CC(C1)CO 62a_100000210312_100009874164 [0,1,0,1,0,0|1,0,0]=3 13103 B12R1.430 CC(C)CCSC1CC(C1)CO 62a_100009874164_100000210312 [0,1,0,1,0,0|1,0,0]=3 13104 B12R1.430 CC(C)OCCN1CC(C1)CO 269982a_100016987283_100000211751 [0,1,0,1,0,0|2,0,0]=4 13105 B12R1.430 CC(C)OCCN1CC(C1)CO 34a_100016987283_100000211751 [0,1,0,1,0,0|2,0,0]=4 13106 B12R1.430 CC(C)OCSC1CC(C1)CO 62a_100000709892_100009874164 [0,1,0,1,0,0|2,0,0]=4 13107 B12R1.430 CC(C)OCSC1CC(C1)CO 62a_100009874164_100000709892 [0,1,0,1,0,0|2,0,0]=4 13108 B12R1.430 CC(C)SCCN1CC(C1)CO 269982a_100016987283_100000730970 [0,1,0,1,0,0|2,0,0]=4 13109 B12R1.430 CC(C)SCCN1CC(C1)CO 34a_100016987283_100000730970 [0,1,0,1,0,0|2,0,0]=4 13110 B12R1.430 CC(O)CCCN1CC(C1)CO 269982a_100016987283_200000718107 [0,1,0,1,0,0|2,0,0]=4 13111 B12R1.430 CC(O)CCCN1CC(C1)CO 34a_100016987283_200000718107 [0,1,0,1,0,0|2,0,0]=4 13112 B12R1.430 CC(O)CCNC1CC(C1)CO 270004a_200000755665_100000101936 [0,1,0,1,0,0|2,0,0]=4 13113 B12R1.430 CC(O)CCSC1CC(C1)CO 62a_100009874164_100012276601 [0,1,0,1,0,0|2,0,0]=4 13114 B12R1.430 CC(O)CCSC1CC(C1)CO 62a_100012276601_100009874164 [0,1,0,1,0,0|2,0,0]=4 13115 B12R1.430 CCC1CN(C1)CCCC(C)C 2230a_100015205115_100011214892 [0,1,0,1,0,0|2,0,0]=4 13116 B12R1.430 CCC1CN(C1)CCCC(C)C 269982a_100015205115_100011214892 [0,1,0,1,0,0|2,0,0]=4 13117 B12R1.430 CCN1CC(C1)NCCC(C)C 2230a_200015199589_100000210312 [0,1,0,1,0,0|2,0,0]=4 13118 B12R1.430 CCN1CC(C1)NCCC(C)C 269862a_200015199589_100000185833 [0,1,0,1,0,0|2,0,0]=4 13119 B12R1.430 CN(C)CCCN1CC(C1)CO 269982a_100016987283_100000757444 [0,1,0,1,0,0|2,0,0]=4 13120 B12R1.430 CN(C)CCNC1CC(C1)CO 270004a_100000210585_100000101936 [0,1,0,1,0,0|2,0,0]=4 13121 B12R1.430 CN(C)CCSC1CC(C1)CO 62a_100009874164_100000755713 [0,1,0,1,0,0|2,0,0]=4 13122 B12R1.430 COC1CN(C1)CCCC(C)C 269982a_100000755009_100011214892 [0,1,0,1,0,0|1,0,0]=3 13123 B12R1.430 COC1CN(C1)CCCC(C)O 269982a_100000755009_200000718107 [0,1,0,1,0,0|2,0,0]=4 13124 B12R1.430 COC1CN(C1)CCCN(C)C 269982a_100000755009_100000757444 [0,1,0,1,0,0|2,0,0]=4 13125 B12R1.430 COC1CN(C1)CCOC(C)C 269982a_100000755009_100000211751 [0,1,0,1,0,0|2,0,0]=4 13126 B12R1.430 COC1CN(C1)CCSC(C)C 269982a_100000755009_100000730970 [0,1,0,1,0,0|2,0,0]=4 13127 B12R1.430 CO[C@H]1C[C@@H](C1)NCCC(C)C 2230a_100121570643_100000210312 [0,1,0,1,0,0|1,0,0]=3 13128 B12R1.430 CO[C@H]1C[C@@H](C1)NCCC(C)C 269862a_100121570643_100000185833 [0,1,0,1,0,0|1,0,0]=3 13129 B12R1.430 CO[C@H]1C[C@@H](C1)NCCC(C)O 2230a_100121570643_100012276601 [0,1,0,1,0,0|2,0,0]=4 13130 B12R1.430 CO[C@H]1C[C@@H](C1)NCOC(C)C 2230a_100121570643_100000709892 [0,1,0,1,0,0|2,0,0]=4 13131 B12R1.430 CSC1CN(C1)CCCC(C)C 269982a_100016990038_100011214892 [0,1,0,1,0,0|1,1,0]=4 13132 B12R1.462 COCCC(C)NC1CC(C1)F 270004a_100016993743_100000742357 [0,1,0,1,0,0|2,0,0]=4 13133 B12R1.462 COCCC(C)NC1CN(C1)C 270004a_100015196640_100000742357 [0,1,0,1,0,0|2,0,0]=4 13134 B12R1.462 COCCC(C)N[C@H]1C[C@@H](C1)O 270004a_100020629032_100000742357 [0,1,0,1,0,0|2,0,0]=4 13135 B12R1.464 C=CCCC(C)NCCC1CC1 270004a_100000764129_100000762624 [0,1,0,1,0,0|2,0,0]=4 13136 B12R1.464 C=CCCC(C)OCCC1CC1 34a_100000765329_100000694398 [0,1,0,1,0,0|2,0,0]=4 13137 B12R1.464 C=CCCC(C)OCCC1CC1 7a_100000765329_100000764125 [0,1,0,1,0,0|2,0,0]=4 13138 B12R1.464 CC(CCCCl)OCCC1CC1 34a_200000718107_100000694398 [0,1,0,1,0,0|2,0,0]=4 13139 B12R1.464 CC(CCCCl)OCCC1CC1 7a_200000718107_100000764125 [0,1,0,1,0,0|2,0,0]=4 13140 B12R1.464 CCCCC(C)COCC1CC1 34a_100011995851_100000742324 [0,1,0,1,0,0|2,0,0]=4 13141 B12R1.464 CCCCC(C)COCC1CC1 7a_100011995851_100000742324 [0,1,0,1,0,0|2,0,0]=4 13142 B12R1.464 CCCCC(C)NCCC1CC1 2230a_100000126638_100000694398 [0,1,0,1,0,0|2,0,0]=4 13143 B12R1.464 CCCCC(C)NCCC1CC1 270004a_100000764129_100000210087 [0,1,0,1,0,0|2,0,0]=4 13144 B12R1.464 CCCCC(C)NCCC1CC1 34a_100000764129_200011215066 [0,1,0,1,0,0|2,0,0]=4 13145 B12R1.464 CCCCC(C)OCCC1CC1 34a_100000687866_100000694398 [0,1,0,1,0,0|2,0,0]=4 13146 B12R1.464 CCCCC(C)OCCC1CC1 34a_100000754188_200011215066 [0,1,0,1,0,0|2,0,0]=4 13147 B12R1.464 CCCCC(C)OCCC1CC1 7a_100000687866_100000764125 [0,1,0,1,0,0|2,0,0]=4 13148 B12R1.464 CCCCC(C)OCCC1CC1 7a_100000754188_200011215066 [0,1,0,1,0,0|2,0,0]=4 13149 B12R1.464 CCCCC(C)SCCC1CC1 62a_100000764125_200011215066 [0,1,0,1,0,0|2,0,0]=4 13150 B12R1.464 CCCCC(C)SCCC1CC1 62a_200011215066_100000764125 [0,1,0,1,0,0|2,0,0]=4 13151 B12R1.464 CCCOC(C)CNCC1CC1 2230a_100015185124_100000742324 [0,1,0,1,0,0|2,0,0]=4 13152 B12R1.464 CCCOC(C)CNCC1CC1 269862a_100015185124_100000741477 [0,1,0,1,0,0|2,0,0]=4 13153 B12R1.464 CCCOC(C)CNCC1CC1 34a_100015185124_100000742324 [0,1,0,1,0,0|2,0,0]=4 13154 B12R1.464 CCOCC(C)OCCC1CC1 34a_100000718985_100000694398 [0,1,0,1,0,0|2,0,0]=4 13155 B12R1.464 CCOCC(C)OCCC1CC1 7a_100000718985_100000764125 [0,1,0,1,0,0|2,0,0]=4 13156 B12R1.464 CCSCC(C)NCCC1CC1 270004a_100000764129_200011216171 [0,1,0,1,0,0|2,0,0]=4 13157 B12R1.464 CN(CCCO)CCCC1CO1 2230a_100000213112_100000733510 [0,1,0,1,0,0|2,0,0]=4 13158 B12R1.464 CN(CCCO)CCCC1CO1 269982a_100000213112_100000733510 [0,1,0,1,0,0|2,0,0]=4 13159 B12R1.464 COCCC(C)NCCC1CC1 270004a_100000764129_100000742357 [0,1,0,1,0,0|1,0,0]=3 13160 B12R1.464 COCCN(C)CCCC1CO1 2230a_100000743101_100000733510 [0,1,0,1,0,0|2,0,0]=4 13161 B12R1.464 COCCN(C)CCCC1CO1 269982a_100000743101_100000733510 [0,1,0,1,0,0|2,0,0]=4 13162 B12R1.464 COCO[C@H](C)COCC1CC1 34a_100016172286_100000742324 [0,1,0,1,0,0|2,0,0]=4 13163 B12R1.464 COCO[C@H](C)COCC1CC1 7a_100016172286_100000742324 [0,1,0,1,0,0|2,0,0]=4 13164 B12R1.464 CSCCC(C)NCCC1CC1 270004a_100000764129_100011217047 [0,1,0,1,0,0|1,1,0]=4 13165 B12R1.464 C[C@H](CCCO)CNCC1CC1 2230a_100160569302_100000742324 [0,1,0,1,0,0|1,0,0]=3 13166 B12R1.464 C[C@H](CCCO)CNCC1CC1 269862a_100160569302_100000741477 [0,1,0,1,0,0|1,0,0]=3 13167 B12R1.464 C[C@H](CCCO)CNCC1CC1 34a_100160569302_100000742324 [0,1,0,1,0,0|1,0,0]=3 13168 B12R1.464 C[C@H](CCCO)CNCC1CO1 2230a_100160569302_100011216344 [0,1,0,1,0,0|2,0,0]=4 13169 B12R1.464 C[C@H](CCCO)CNCC1CO1 34a_100160569302_102125554688 [0,1,0,1,0,0|2,0,0]=4 13170 B12R1.549 CCCCC(C)OCC1CC1C 34a_100000744939_200011215066 [0,1,0,1,0,0|2,0,0]=4 13171 B12R1.549 CCCCC(C)OCC1CC1C 7a_100000744939_200011215066 [0,1,0,1,0,0|2,0,0]=4 13172 B12R1.887 C#CCCN1CCCC(C1)(C)C 2230a_100000716857_100000688953 [0,1,0,1,0,0|2,0,0]=4 13173 B12R1.887 C#CCCN1CCCC(C1)(C)C 269982a_100000716857_100000730999 [0,1,0,1,0,0|2,0,0]=4 13174 B12R1.887 C#CCCN1CCCC(C1)(C)C 34a_100000716857_100000688953 [0,1,0,1,0,0|2,0,0]=4 13175 B12R1.887 C#CCOC1CCCC(C1)(C)C 7a_100011995757_100000038162 [0,1,0,1,0,0|1,0,1]=4 13176 B12R1.887 C=CCCN1CCCC(C1)(C)C 2230a_100000716857_100000754431 [0,1,0,1,0,0|2,0,0]=4 13177 B12R1.887 C=CCCN1CCCC(C1)(C)C 269982a_100000716857_100000754431 [0,1,0,1,0,0|2,0,0]=4 13178 B12R1.887 C=CCCN1CCCC(C1)(C)C 34a_100000716857_100000754431 [0,1,0,1,0,0|2,0,0]=4 13179 B12R1.887 C=CCNC1CCCC(C1)(C)C 270004a_100020586998_100000031663 [0,1,0,1,0,0|1,0,1]=4 13180 B12R1.887 C=CCOC1CCCC(C1)(C)C 7a_100011995757_100015514636 [0,1,0,1,0,0|1,0,1]=4 13181 B12R1.887 CC1(CC(CCN1)NCCO)C 270004a_100000210304_100015191244 [0,1,0,1,0,0|1,0,0]=3 13182 B12R1.887 CC1(CC(CCO1)NCCF)C 2230a_100000696200_100011217306 [0,1,0,1,0,0|2,0,0]=4 13183 B12R1.887 CC1(CC(CCO1)NCCF)C 34a_100000724931_100010191092 [0,1,0,1,0,0|2,0,0]=4 13184 B12R1.887 CC1(CC(CCO1)NCCO)C 2230a_100000696200_100000211926 [0,1,0,1,0,0|1,0,0]=3 13185 B12R1.887 CC1(CC(CCO1)NCCO)C 270004a_100000210304_100000755756 [0,1,0,1,0,0|1,0,0]=3 13186 B12R1.887 CC1(CC(CCO1)NCCO)C 34a_100016990907_100010191092 [0,1,0,1,0,0|1,0,0]=3 13187 B12R1.887 CC1(CC(CCO1)OCCBr)C 34a_100000211926_100010191092 [0,1,0,1,0,0|2,0,0]=4 13188 B12R1.887 CC1(CC(CCO1)OCCF)C 34a_100000693217_100011217306 [0,1,0,1,0,0|2,0,0]=4 13189 B12R1.887 CC1(CC(CCO1)OCCF)C 7a_100000693217_100011217306 [0,1,0,1,0,0|2,0,0]=4 13190 B12R1.887 CC1(CC(CCO1)OCCN)C 34a_100000210304_100010191092 [0,1,0,1,0,0|2,0,0]=4 13191 B12R1.887 CC1(CC(CCO1)OCCO)C 34a_100000693217_100000211926 [0,1,0,1,0,0|1,0,0]=3 13192 B12R1.887 CC1(CC(CCO1)OCCO)C 7a_100000693217_100000211926 [0,1,0,1,0,0|1,0,0]=3 13193 B12R1.887 CC1(CC(CCO1)SCCF)C 62a_100010191092_100011217306 [0,1,0,1,0,0|2,0,0]=4 13194 B12R1.887 CC1(CC(CCO1)SCCF)C 62a_100011217306_100010191092 [0,1,0,1,0,0|2,0,0]=4 13195 B12R1.887 CC1(CC(CCO1)SCCO)C 62a_100000211926_100010191092 [0,1,0,1,0,0|1,0,0]=3 13196 B12R1.887 CC1(CC(CCO1)SCCO)C 62a_100010191092_100000211926 [0,1,0,1,0,0|1,0,0]=3 13197 B12R1.887 CC1(CCCC(C1)NCCO)C 270004a_100000210304_100000031663 [0,1,0,1,0,0|0,0,0]=2 13198 B12R1.887 CC1(CCCC(C1)OCC#N)C 7a_100011995757_100011215382 [0,1,0,1,0,0|1,0,1]=4 13199 B12R1.887 CC1(CCCC(C1)OCC=O)C 7a_100011995757_200015260668 [0,1,0,1,0,0|0,0,2]=4 13200 B12R1.887 CC1(CCCC(C1)OCCF)C 7a_100011995757_100011217306 [0,1,0,1,0,0|1,0,0]=3 13201 B12R1.887 CC1(CCCC(C1)OCCO)C 7a_100011995757_100000211926 [0,1,0,1,0,0|0,0,0]=2 13202 B12R1.887 CC1(CCCN(C1)CCC#N)C 2230a_100000716857_100011215226 [0,1,0,1,0,0|2,0,0]=4 13203 B12R1.887 CC1(CCCN(C1)CCC#N)C 269982a_100000716857_100011215226 [0,1,0,1,0,0|2,0,0]=4 13204 B12R1.887 CC1(CCCN(C1)CCCF)C 2230a_100000716857_100011934791 [0,1,0,1,0,0|2,0,0]=4 13205 B12R1.887 CC1(CCCN(C1)CCCF)C 269982a_100000716857_100011934791 [0,1,0,1,0,0|2,0,0]=4 13206 B12R1.887 CC1(CCCN(C1)CCCF)C 34a_100000716857_100011934791 [0,1,0,1,0,0|2,0,0]=4 13207 B12R1.887 CC1(CCCN(C1)CCCO)C 2230a_100000716857_100000230001 [0,1,0,1,0,0|1,0,0]=3 13208 B12R1.887 CC1(CCCN(C1)CCCO)C 269982a_100000716857_100011215043 [0,1,0,1,0,0|1,0,0]=3 13209 B12R1.887 CC1(CCCN(C1)CCCO)C 34a_100000716857_100000230001 [0,1,0,1,0,0|1,0,0]=3 13210 B12R1.887 CC1(CCCN(C1)CCCO)O 2230a_100000695535_100000230001 [0,1,0,1,0,0|2,0,0]=4 13211 B12R1.887 CC1(CCCN(C1)CCCO)O 269982a_100000695535_100011215043 [0,1,0,1,0,0|2,0,0]=4 13212 B12R1.887 CC1(CN(CCO1)CCCO)C 2230a_100000738910_100000230001 [0,1,0,1,0,0|2,0,0]=4 13213 B12R1.887 CC1(CN(CCO1)CCCO)C 269982a_100000738910_100011215043 [0,1,0,1,0,0|2,0,0]=4 13214 B12R1.887 CC1(CN(CCO1)CCCO)C 34a_100000738910_100000230001 [0,1,0,1,0,0|2,0,0]=4 13215 B12R1.887 CCCCN1CCCC(C1)(C)C 2230a_100000716857_100000210211 [0,1,0,1,0,0|2,0,0]=4 13216 B12R1.887 CCCCN1CCCC(C1)(C)C 269982a_100000716857_100000210211 [0,1,0,1,0,0|2,0,0]=4 13217 B12R1.887 CCCCN1CCCC(C1)(C)C 34a_100000716857_100000210210 [0,1,0,1,0,0|2,0,0]=4 13218 B12R1.887 CCCNC1CCCC(C1)(C)C 270004a_100020643023_100000031663 [0,1,0,1,0,0|1,0,0]=3 13219 B12R1.887 CCCNC1CCNC(C1)(C)C 270004a_100020643023_100015191244 [0,1,0,1,0,0|2,0,0]=4 13220 B12R1.887 CCCNC1CCOC(C1)(C)C 2230a_100000696200_100000210303 [0,1,0,1,0,0|2,0,0]=4 13221 B12R1.887 CCCNC1CCOC(C1)(C)C 270004a_100020643023_100000755756 [0,1,0,1,0,0|2,0,0]=4 13222 B12R1.887 CCCOC1CCCC(C1)(C)C 7a_100011995757_100000210303 [0,1,0,1,0,0|1,0,0]=3 13223 B12R1.887 CCCOC1CCOC(C1)(C)C 34a_100000210258_100010191092 [0,1,0,1,0,0|2,0,0]=4 13224 B12R1.887 CCCOC1CCOC(C1)(C)C 34a_100000693217_100000210303 [0,1,0,1,0,0|2,0,0]=4 13225 B12R1.887 CCCOC1CCOC(C1)(C)C 7a_100000693217_100000210303 [0,1,0,1,0,0|2,0,0]=4 13226 B12R1.887 CCCSC1CCOC(C1)(C)C 62a_100000210303_100010191092 [0,1,0,1,0,0|2,0,0]=4 13227 B12R1.887 CCCSC1CCOC(C1)(C)C 62a_100010191092_100000210303 [0,1,0,1,0,0|2,0,0]=4 13228 B12R1.887 CCNCC1CCOC(C1)(C)C 269862a_100015525214_100011361580 [0,1,0,1,0,0|2,0,0]=4 13229 B12R1.887 CCNCC1CCOC(C1)(C)C 270004a_100015525214_100011361580 [0,1,0,1,0,0|2,0,0]=4 13230 B12R1.887 CCOCN1CCCC(C1)(C)C 269982a_100000716857_100000739092 [0,1,0,1,0,0|2,0,0]=4 13231 B12R1.887 COCCN1CCCC(C1)(C)C 2230a_100000716857_100011201679 [0,1,0,1,0,0|1,0,0]=3 13232 B12R1.887 COCCN1CCCC(C1)(C)C 269982a_100000716857_100000233755 [0,1,0,1,0,0|1,0,0]=3 13233 B12R1.887 COCCN1CCCC(C1)(C)C 34a_100000716857_100011201679 [0,1,0,1,0,0|1,0,0]=3 13234 B12R1.887 COCCN1CCCC(C1)(C)O 2230a_100000695535_100011201679 [0,1,0,1,0,0|2,0,0]=4 13235 B12R1.887 COCCN1CCCC(C1)(C)O 269982a_100000695535_100000233755 [0,1,0,1,0,0|2,0,0]=4 13236 B12R1.887 COCCN1CCOC(C1)(C)C 2230a_100000738910_100011201679 [0,1,0,1,0,0|2,0,0]=4 13237 B12R1.887 COCCN1CCOC(C1)(C)C 269982a_100000738910_100000233755 [0,1,0,1,0,0|2,0,0]=4 13238 B12R1.887 COCCN1CCOC(C1)(C)C 34a_100000738910_100011201679 [0,1,0,1,0,0|2,0,0]=4 13239 B12R1.887 COCNC1CCOC(C1)(C)C 2230a_100000696200_100000766300 [0,1,0,1,0,0|2,0,0]=4 13240 B12R1.887 COCSC1CCOC(C1)(C)C 62a_100000766300_100010191092 [0,1,0,1,0,0|2,0,0]=4 13241 B12R1.887 COCSC1CCOC(C1)(C)C 62a_100010191092_100000766300 [0,1,0,1,0,0|2,0,0]=4 13242 B12R1.887 CSCCN1CCCC(C1)(C)C 2230a_100000716857_100000751147 [0,1,0,1,0,0|1,1,0]=4 13243 B12R1.887 CSCCN1CCCC(C1)(C)C 269982a_100000716857_100000212216 [0,1,0,1,0,0|1,1,0]=4 13244 B12R1.887 CSCCN1CCCC(C1)(C)C 34a_100000716857_100000212216 [0,1,0,1,0,0|1,1,0]=4 13245 B12R1.895 CC(C)CCN1C(CCC1C)C 2230a_100000687148_100000210312 [0,1,0,1,0,0|2,0,0]=4 13246 B12R1.895 CC(C)CCN1C(CCC1C)C 269982a_100000687148_100000210312 [0,1,0,1,0,0|2,0,0]=4 13247 B12R1.895 CC(C)CCN1C(CCC1C)C 34a_100000687148_100000210312 [0,1,0,1,0,0|2,0,0]=4 13248 B12R1.50 CC1CCCC(C1)NC(C)CO 2230a_100011194320_100012180447 [0,1,0,1,0,0|2,0,0]=4 13249 B12R1.50 CC1CCCC(C1)NC(C)CO 34a_100011194320_100012180447 [0,1,0,1,0,0|2,0,0]=4 13250 B12R1.50 CC1CCCC(C1)N[C@H](C)CF 270004a_100102880703_100000183594 [0,1,0,1,0,0|2,0,0]=4 13251 B12R1.50 CC1CCCC(C1)N[C@H](C)CO 270004a_100000737577_100000183594 [0,1,0,1,0,0|2,0,0]=4 13252 B12R1.50 CC1CCCC(C1)OC(C)CO 34a_100000211399_100012180447 [0,1,0,1,0,0|2,0,0]=4 13253 B12R1.50 CCC(C)CN1CCC[C@@H](C1)C 2230a_100000717927_100000748023 [0,1,0,1,0,0|2,0,0]=4 13254 B12R1.50 CCC(C)CN1CCC[C@@H](C1)C 269982a_100000717927_100000748023 [0,1,0,1,0,0|2,0,0]=4 13255 B12R1.50 CCC(C)CN1CCC[C@@H](C1)C 270004a_100000717927_100000243153 [0,1,0,1,0,0|2,0,0]=4 13256 B12R1.50 CCC(C)CN1CCC[C@@H](C1)C 34a_100000717927_100000748023 [0,1,0,1,0,0|2,0,0]=4 13257 B12R1.50 CCC(C)NC1CCCC(C1)C 2230a_100011194320_100000758301 [0,1,0,1,0,0|2,0,0]=4 13258 B12R1.50 CCC(C)NC1CCCC(C1)C 270004a_100000209981_100000183594 [0,1,0,1,0,0|2,0,0]=4 13259 B12R1.50 CCC(C)NC1CCCC(C1)C 34a_100011194320_100011215416 [0,1,0,1,0,0|2,0,0]=4 13260 B12R1.50 CCC(C)OC1CCCC(C1)C 34a_100000211399_100011215416 [0,1,0,1,0,0|2,0,0]=4 13261 B12R1.50 CC[C@H](C)CN1CCC[C@@H](C1)C 2230a_100000717927_100009816398 [0,1,0,1,0,0|2,0,0]=4 13262 B12R1.50 CC[C@H](C)CN1CCC[C@@H](C1)C 269982a_100000717927_100009816398 [0,1,0,1,0,0|2,0,0]=4 13263 B12R1.50 CC[C@H](C)CN1CCC[C@@H](C1)C 34a_100000717927_100009816398 [0,1,0,1,0,0|2,0,0]=4 13264 B12R1.50 C[C@@H](CO)CN1CCC[C@@H](C1)C 2230a_100000717927_100000059175 [0,1,0,1,0,0|2,0,0]=4 13265 B12R1.50 C[C@@H](CO)CN1CCC[C@@H](C1)C 269982a_100000717927_100000059175 [0,1,0,1,0,0|2,0,0]=4 13266 B12R1.50 C[C@@H](CO)CN1CCC[C@@H](C1)C 34a_100000717927_100000059175 [0,1,0,1,0,0|2,0,0]=4 13267 B12R1.179 C#CC(C)N1CCC(C1)CCO 34a_100016987287_200000035995 [0,1,0,1,0,0|1,0,1]=4 13268 B12R1.179 C=CC(C)N1CCC(C1)CCO 269982a_100016987287_100011215867 [0,1,0,1,0,0|1,0,1]=4 13269 B12R1.179 CC(C#N)N1CCC(C1)CCO 2230a_100016987287_100000184139 [0,1,0,1,0,0|1,0,1]=4 13270 B12R1.179 CC(C#N)N1CCC(C1)CCO 269982a_100016987287_100000703298 [0,1,0,1,0,0|1,0,1]=4 13271 B12R1.179 CC(CO)N1CCC(C1)CCO 2230a_100016987287_100012180447 [0,1,0,1,0,0|1,0,0]=3 13272 B12R1.179 CC(CO)N1CCC(C1)CCO 34a_100016987287_100012180447 [0,1,0,1,0,0|1,0,0]=3 13273 B12R1.179 CCC(C)N1CCC(C1)CCO 2230a_100016987287_100000758301 [0,1,0,1,0,0|1,0,0]=3 13274 B12R1.179 CCC(C)N1CCC(C1)CCO 269982a_100016987287_100000758301 [0,1,0,1,0,0|1,0,0]=3 13275 B12R1.179 CCC(C)N1CCC(C1)CCO 34a_100016987287_100011215416 [0,1,0,1,0,0|1,0,0]=3 13276 B12R1.179 COC(C)N1CCC(C1)CCO 269982a_100016987287_100009879195 [0,1,0,1,0,0|1,0,0]=3 13277 B12R1.179 C[C@H](CO)N1CCC(C1)CCO 269982a_100016987287_100016084084 [0,1,0,1,0,0|1,0,0]=3 13278 B12R1.312 CC(CCO)N1CCC(C1)C#N 2230a_100016989334_100009893172 [0,1,0,1,0,0|1,0,1]=4 13279 B12R1.312 CC(CCO)N1CCC(C1)CO 2230a_100000748654_100009893172 [0,1,0,1,0,0|1,0,0]=3 13280 B12R1.312 CC(CCO)N1CCC(C1)CO 269982a_100000748654_100009893172 [0,1,0,1,0,0|1,0,0]=3 13281 B12R1.312 CC(CCO)N1CCC(C1)CO 34a_100000748654_100009893172 [0,1,0,1,0,0|1,0,0]=3 13282 B12R1.312 CCC1CCC(C1)N(C)CCO 270004a_100000210263_100011218773 [0,1,0,1,0,0|1,0,0]=3 13283 B12R1.312 CCCC(C)N1CCC(C1)CO 2230a_100000748654_100000766640 [0,1,0,1,0,0|2,0,0]=4 13284 B12R1.312 CCCC(C)N1CCC(C1)CO 269982a_100000748654_100000766640 [0,1,0,1,0,0|2,0,0]=4 13285 B12R1.312 CCCC(C)N1CCC(C1)CO 270004a_100000748654_100000211909 [0,1,0,1,0,0|2,0,0]=4 13286 B12R1.312 CCCC(C)N1CCC(C1)CO 34a_100000748654_100000766640 [0,1,0,1,0,0|2,0,0]=4 13287 B12R1.312 CCCC(C)N1CC[C@H](C1)OC 2230a_100000766984_100000766640 [0,1,0,1,0,0|2,0,0]=4 13288 B12R1.312 CCCC(C)N1CC[C@H](C1)OC 269982a_100000766984_100000766640 [0,1,0,1,0,0|2,0,0]=4 13289 B12R1.312 CCCC(C)N1CC[C@H](C1)OC 270004a_100000766984_100000211909 [0,1,0,1,0,0|2,0,0]=4 13290 B12R1.312 CCCN(C)C1CCC(C1)CC 270004a_100000747261_100011218773 [0,1,0,1,0,0|2,0,0]=4 13291 B12R1.312 CCN1CCC(C1)N(C)CCO 269982a_100000210263_200011861547 [0,1,0,1,0,0|2,0,0]=4 13292 B12R1.312 CN(CCO)C1CCC(C1)C#N 270004a_100000210263_100000717688 [0,1,0,1,0,0|1,0,1]=4 13293 B12R1.312 CO[C@@H]1CCN(C1)C(C)CCO 2230a_100000766984_100009893172 [0,1,0,1,0,0|1,0,0]=3 13294 B12R1.312 CO[C@@H]1CCN(C1)C(C)CCO 269982a_100000766984_100009893172 [0,1,0,1,0,0|1,0,0]=3 13295 B12R1.315 CC(CCN)COCC1CCC1 34a_106354213184_100000763275 [0,1,0,1,0,0|2,0,0]=4 13296 B12R1.315 CC(CCN)COCC1CCO1 34a_106354213184_100000103362 [0,1,0,1,0,0|2,0,0]=4 13297 B12R1.315 CC(CCN)COCC1COC1 34a_106354213184_100010264016 [0,1,0,1,0,0|2,0,0]=4 13298 B12R1.315 CC(CCO)OCCC1COC1 34a_100009855314_100009893172 [0,1,0,1,0,0|1,0,0]=3 13299 B12R1.315 CCCC(C)CCOC1CCC1 34a_100011217855_100000749161 [0,1,0,1,0,0|2,0,0]=4 13300 B12R1.315 CCCC(C)CCOC1COC1 34a_100011217855_100009818527 [0,1,0,1,0,0|2,0,0]=4 13301 B12R1.315 CCCC(C)CCOC1COC1 7a_100011217855_100009818527 [0,1,0,1,0,0|2,0,0]=4 13302 B12R1.315 CCCC(C)CNCC1CCC1 2230a_100000738700_100011216630 [0,1,0,1,0,0|2,0,0]=4 13303 B12R1.315 CCCC(C)CNCC1CCC1 270004a_100000738700_100000243154 [0,1,0,1,0,0|2,0,0]=4 13304 B12R1.315 CCCC(C)CNCC1CCC1 34a_100000738700_100011216630 [0,1,0,1,0,0|2,0,0]=4 13305 B12R1.315 CCCC(C)CNCC1COC1 2230a_100015281925_100011216630 [0,1,0,1,0,0|2,0,0]=4 13306 B12R1.315 CCCC(C)CNCC1COC1 270004a_100015281925_100000243154 [0,1,0,1,0,0|2,0,0]=4 13307 B12R1.315 CCCC(C)CNCC1COC1 34a_100015281925_100011216630 [0,1,0,1,0,0|2,0,0]=4 13308 B12R1.315 CCCC(C)CNC[C@@H]1CCO1 2230a_100020831831_100011216630 [0,1,0,1,0,0|2,0,0]=4 13309 B12R1.315 CCCC(C)CNC[C@@H]1CCO1 270004a_100020831831_100000243154 [0,1,0,1,0,0|2,0,0]=4 13310 B12R1.315 CCCC(C)CNC[C@@H]1CCO1 34a_100020831831_100011216630 [0,1,0,1,0,0|2,0,0]=4 13311 B12R1.315 CCCC(C)COCC1CCC1 34a_100000688023_100000763275 [0,1,0,1,0,0|2,0,0]=4 13312 B12R1.315 CCCC(C)COCC1CCC1 34a_100000760304_100011216630 [0,1,0,1,0,0|2,0,0]=4 13313 B12R1.315 CCCC(C)COCC1CCC1 7a_100000688023_100000763275 [0,1,0,1,0,0|2,0,0]=4 13314 B12R1.315 CCCC(C)COCC1CCO1 34a_100000039022_100011216630 [0,1,0,1,0,0|2,0,0]=4 13315 B12R1.315 CCCC(C)COCC1CCO1 34a_100000688023_100000103362 [0,1,0,1,0,0|2,0,0]=4 13316 B12R1.315 CCCC(C)COCC1CCO1 7a_100000688023_100000103362 [0,1,0,1,0,0|2,0,0]=4 13317 B12R1.315 CCCC(C)COCC1CNC1 34a_100016987283_100011216630 [0,1,0,1,0,0|2,0,0]=4 13318 B12R1.315 CCCC(C)COCC1COC1 34a_100000060846_100011216630 [0,1,0,1,0,0|2,0,0]=4 13319 B12R1.315 CCCC(C)COCC1COC1 34a_100000688023_100010264016 [0,1,0,1,0,0|2,0,0]=4 13320 B12R1.315 CCCC(C)COCC1COC1 7a_100000688023_100010264016 [0,1,0,1,0,0|2,0,0]=4 13321 B12R1.315 CCCC(C)CSCC1CCC1 62a_100000763275_100011216630 [0,1,0,1,0,0|2,0,0]=4 13322 B12R1.315 CCCC(C)CSCC1CCC1 62a_100011216630_100000763275 [0,1,0,1,0,0|2,0,0]=4 13323 B12R1.315 CCCC(C)CSCC1CCO1 62a_100000103362_100011216630 [0,1,0,1,0,0|2,0,0]=4 13324 B12R1.315 CCCC(C)CSCC1CCO1 62a_100011216630_100000103362 [0,1,0,1,0,0|2,0,0]=4 13325 B12R1.315 CCCC(C)CSCC1COC1 62a_100010264016_100011216630 [0,1,0,1,0,0|2,0,0]=4 13326 B12R1.315 CCCC(C)CSCC1COC1 62a_100011216630_100010264016 [0,1,0,1,0,0|2,0,0]=4 13327 B12R1.315 CCCC(C)OCCC1COC1 34a_100009855314_100000766640 [0,1,0,1,0,0|2,0,0]=4 13328 B12R1.353 CC(CO)CNC1CCCC1C 269862a_100000744482_100000752053 [0,1,0,1,0,0|2,0,0]=4 13329 B12R1.353 CC1CCCC1OC[C@@H](C)CO 34a_100011216460_100000059175 [0,1,0,1,0,0|2,0,0]=4 13330 B12R1.353 CC1CCCC1OC[C@@H](C)CO 7a_100011216460_100000059175 [0,1,0,1,0,0|2,0,0]=4 13331 B12R1.353 CCC(C)CNC1CCCC1C 269862a_100020588543_100000752053 [0,1,0,1,0,0|2,0,0]=4 13332 B12R1.353 CCC(C)COC1CCCC1C 34a_100011216460_100000748023 [0,1,0,1,0,0|2,0,0]=4 13333 B12R1.353 CCC(C)COC1CCCC1C 7a_100011216460_100000748023 [0,1,0,1,0,0|2,0,0]=4 13334 B12R1.353 CC[C@H](C)COC1CCCC1C 34a_100011216460_100009816398 [0,1,0,1,0,0|2,0,0]=4 13335 B12R1.353 CC[C@H](C)COC1CCCC1C 7a_100011216460_100009816398 [0,1,0,1,0,0|2,0,0]=4 13336 B12R1.353 CO[C@H](C)CNC1CCCC1C 269862a_100020591295_100000752053 [0,1,0,1,0,0|2,0,0]=4 13337 B12R1.394 CCC(C)CNCC1CC(C1)O 2230a_100016992100_100000748023 [0,1,0,1,0,0|1,0,0]=3 13338 B12R1.394 CCC(C)CNCC1CC(C1)O 270004a_100016992100_100000243153 [0,1,0,1,0,0|1,0,0]=3 13339 B12R1.394 CCC(C)COCC1CC(C1)Cl 34a_100009874164_100000748023 [0,1,0,1,0,0|2,0,0]=4 13340 B12R1.394 CCC(O)CNCC1CC(C1)O 2230a_100016992100_100011218378 [0,1,0,1,0,0|2,0,0]=4 13341 B12R1.394 CCN(C)CCCN1CC(C1)O 269982a_100000749847_100015186262 [0,1,0,1,0,0|2,0,0]=4 13342 B12R1.394 CC[C@H](C)CNCC1CC(C1)O 2230a_100016992100_100009816398 [0,1,0,1,0,0|1,0,0]=3 13343 B12R1.394 CC[C@H](C)COCC1CC(C1)Cl 34a_100009874164_100009816398 [0,1,0,1,0,0|2,0,0]=4 13344 B12R1.394 C[C@@H](CO)CNCC1CC(C1)O 2230a_100016992100_100000059175 [0,1,0,1,0,0|1,0,0]=3 13345 B12R1.394 C[C@@H](CO)COCC1CC(C1)Cl 34a_100009874164_100000059175 [0,1,0,1,0,0|2,0,0]=4 13346 B12R1.394 OC1CC(C1)CNC[C@@H](O)CF 2230a_100016992100_100015614560 [0,1,0,1,0,0|2,0,0]=4 13347 B12R1.394 OCC(O)CNCC1CC(C1)O 2230a_100016992100_100011219619 [0,1,0,1,0,0|2,0,0]=4 13348 B12R1.394 OC[C@H](O)CNCC1CC(C1)O 2230a_100016992100_100009815848 [0,1,0,1,0,0|2,0,0]=4 13349 B12R1.477 C#CC(C)OCCC1CCOC1 34a_100011879284_200000035995 [0,1,0,1,0,0|1,0,1]=4 13350 B12R1.477 C=CC(C)COCC1CCOC1 34a_100011215527_100011261433 [0,1,0,1,0,0|1,0,1]=4 13351 B12R1.477 C=CC(C)COCC1CCOC1 7a_100011215527_100000702531 [0,1,0,1,0,0|1,0,1]=4 13352 B12R1.477 CC(CF)OCCC1CCCC1 34a_100016041109_100000760354 [0,1,0,1,0,0|2,0,0]=4 13353 B12R1.477 CC(CF)OCCC1CCCC1 7a_100016041109_100000760354 [0,1,0,1,0,0|2,0,0]=4 13354 B12R1.477 CC(CN)COCC1CCCC1 34a_100000744482_100000740388 [0,1,0,1,0,0|2,0,0]=4 13355 B12R1.477 CC(CN)COCC1CCOC1 34a_100000744482_100011261433 [0,1,0,1,0,0|1,0,0]=3 13356 B12R1.477 CC(CN)OCCC1CCCC1 34a_100000210904_100000760354 [0,1,0,1,0,0|2,0,0]=4 13357 B12R1.477 CC(CO)CCNC1CCCC1 2230a_106354213184_100000179811 [0,1,0,1,0,0|2,0,0]=4 13358 B12R1.477 CC(CO)CCNC1CCCC1 270004a_106354213184_100000210133 [0,1,0,1,0,0|2,0,0]=4 13359 B12R1.477 CC(CO)CCNC1CCCC1 34a_106354213184_100000179811 [0,1,0,1,0,0|2,0,0]=4 13360 B12R1.477 CC(CO)CCNC1CCOC1 2230a_106354213184_100000731011 [0,1,0,1,0,0|1,0,0]=3 13361 B12R1.477 CC(CO)CCNC1CCOC1 270004a_106354213184_100000752484 [0,1,0,1,0,0|1,0,0]=3 13362 B12R1.477 CC(CO)CCNC1CCOC1 34a_106354213184_100000690089 [0,1,0,1,0,0|1,0,0]=3 13363 B12R1.477 CC(CO)CCNC1CCSC1 270004a_106354213184_100000212027 [0,1,0,1,0,0|1,1,0]=4 13364 B12R1.477 CC(CO)CNCC1CCCC1 269862a_100000744482_100000746403 [0,1,0,1,0,0|2,0,0]=4 13365 B12R1.477 CC(CO)CNCC1CCCC1 34a_100000744482_100000740388 [0,1,0,1,0,0|2,0,0]=4 13366 B12R1.477 CC(CO)CNCC1CCOC1 34a_100000744482_100011261433 [0,1,0,1,0,0|1,0,0]=3 13367 B12R1.477 CC(CO)NCCC1CCCC1 2230a_100000739158_100012180447 [0,1,0,1,0,0|2,0,0]=4 13368 B12R1.477 CC(CO)NCCC1CCCC1 34a_100000739158_100012180447 [0,1,0,1,0,0|2,0,0]=4 13369 B12R1.477 CC(CO)OCCC1CCCC1 34a_100000749090_100012180447 [0,1,0,1,0,0|2,0,0]=4 13370 B12R1.477 CC(CO)OCCC1CCCC1 7a_100000749090_100012180447 [0,1,0,1,0,0|2,0,0]=4 13371 B12R1.477 CC(CO)OCCC1CCNC1 34a_100016987287_100012180447 [0,1,0,1,0,0|2,0,0]=4 13372 B12R1.477 CC(CO)OCCC1CCOC1 34a_100011879284_100012180447 [0,1,0,1,0,0|1,0,0]=3 13373 B12R1.477 CC(CO)SCCC1CCCC1 62a_100012180447_100000760354 [0,1,0,1,0,0|2,0,0]=4 13374 B12R1.477 CCC(C)CCNC1CCCC1 2230a_100020591266_100000179811 [0,1,0,1,0,0|2,0,0]=4 13375 B12R1.477 CCC(C)CCNC1CCCC1 270004a_100020591266_100000210133 [0,1,0,1,0,0|2,0,0]=4 13376 B12R1.477 CCC(C)CCNC1CCOC1 2230a_100020591266_100000731011 [0,1,0,1,0,0|1,0,0]=3 13377 B12R1.477 CCC(C)CCNC1CCOC1 270004a_100020591266_100000752484 [0,1,0,1,0,0|1,0,0]=3 13378 B12R1.477 CCC(C)CCNC1CCSC1 270004a_100020591266_100000212027 [0,1,0,1,0,0|1,1,0]=4 13379 B12R1.477 CCC(C)CCOC1CCCC1 7a_100011215188_100000179811 [0,1,0,1,0,0|2,0,0]=4 13380 B12R1.477 CCC(C)CCOC1CCOC1 7a_100011215188_100000731011 [0,1,0,1,0,0|1,0,0]=3 13381 B12R1.477 CCC(C)CNCC1CCCC1 2230a_100000737975_100000748023 [0,1,0,1,0,0|2,0,0]=4 13382 B12R1.477 CCC(C)CNCC1CCCC1 2230a_100020588543_100000740388 [0,1,0,1,0,0|2,0,0]=4 13383 B12R1.477 CCC(C)CNCC1CCCC1 269862a_100020588543_100000746403 [0,1,0,1,0,0|2,0,0]=4 13384 B12R1.477 CCC(C)CNCC1CCCC1 270004a_100000737975_100000243153 [0,1,0,1,0,0|2,0,0]=4 13385 B12R1.477 CCC(C)CNCC1CCCC1 34a_100000737975_100000748023 [0,1,0,1,0,0|2,0,0]=4 13386 B12R1.477 CCC(C)CNCC1CCOC1 2230a_100000737293_100000748023 [0,1,0,1,0,0|1,0,0]=3 13387 B12R1.477 CCC(C)CNCC1CCOC1 2230a_100020588543_100000702531 [0,1,0,1,0,0|1,0,0]=3 13388 B12R1.477 CCC(C)CNCC1CCOC1 270004a_100000737293_100000243153 [0,1,0,1,0,0|1,0,0]=3 13389 B12R1.477 CCC(C)CNCC1CCOC1 34a_100000737293_100000748023 [0,1,0,1,0,0|1,0,0]=3 13390 B12R1.477 CCC(C)COCC1CCCC1 34a_100000742336_100000748023 [0,1,0,1,0,0|2,0,0]=4 13391 B12R1.477 CCC(C)COCC1CCCC1 7a_100000742336_100000748023 [0,1,0,1,0,0|2,0,0]=4 13392 B12R1.477 CCC(C)COCC1CCNC1 34a_100000748654_100000748023 [0,1,0,1,0,0|2,0,0]=4 13393 B12R1.477 CCC(C)COCC1CCOC1 34a_100000740260_100000748023 [0,1,0,1,0,0|1,0,0]=3 13394 B12R1.477 CCC(C)COCC1COCO1 34a_100011216627_100000748023 [0,1,0,1,0,0|2,0,0]=4 13395 B12R1.477 CCC(C)CSCC1CCCC1 62a_100000740388_100000748023 [0,1,0,1,0,0|2,0,0]=4 13396 B12R1.477 CCC(C)CSCC1CCCC1 62a_100000748023_100000740388 [0,1,0,1,0,0|2,0,0]=4 13397 B12R1.477 CCC(C)CSCC1CCOC1 62a_100000702531_100000748023 [0,1,0,1,0,0|1,0,0]=3 13398 B12R1.477 CCC(C)CSCC1CCOC1 62a_100000748023_100000702531 [0,1,0,1,0,0|1,0,0]=3 13399 B12R1.477 CCC(C)NCCC1CCCC1 2230a_100000209981_100000760354 [0,1,0,1,0,0|2,0,0]=4 13400 B12R1.477 CCC(C)NCCC1CCCC1 2230a_100000739158_100000758301 [0,1,0,1,0,0|2,0,0]=4 13401 B12R1.477 CCC(C)NCCC1CCCC1 34a_100000739158_100011215416 [0,1,0,1,0,0|2,0,0]=4 13402 B12R1.477 CCC(C)OCCC1CCCC1 34a_100000749090_100011215416 [0,1,0,1,0,0|2,0,0]=4 13403 B12R1.477 CCC(C)OCCC1CCCC1 7a_100000210228_100000760354 [0,1,0,1,0,0|2,0,0]=4 13404 B12R1.477 CCC(C)OCCC1CCCC1 7a_100000749090_100000758301 [0,1,0,1,0,0|2,0,0]=4 13405 B12R1.477 CCC(C)OCCC1CCNC1 34a_100016987287_100011215416 [0,1,0,1,0,0|2,0,0]=4 13406 B12R1.477 CCC(C)OCCC1CCOC1 34a_100011879284_100011215416 [0,1,0,1,0,0|1,0,0]=3 13407 B12R1.477 CCC(C)SCCC1CCCC1 62a_100000758301_100000760354 [0,1,0,1,0,0|2,0,0]=4 13408 B12R1.477 CCC(C)SCCC1CCCC1 62a_100000760354_100000758301 [0,1,0,1,0,0|2,0,0]=4 13409 B12R1.477 CCC(O)CNCC1CCOC1 2230a_100000737293_100011218378 [0,1,0,1,0,0|2,0,0]=4 13410 B12R1.477 CCC(O)CNCC1CCOC1 2230a_100011218483_100000702531 [0,1,0,1,0,0|2,0,0]=4 13411 B12R1.477 CCC(O)CNCC1CCOC1 34a_100000737293_100011218378 [0,1,0,1,0,0|2,0,0]=4 13412 B12R1.477 CCC(O)COCC1CCOC1 34a_100000740260_100011218378 [0,1,0,1,0,0|2,0,0]=4 13413 B12R1.477 CCC(O)CSCC1CCOC1 62a_100000702531_100011218378 [0,1,0,1,0,0|2,0,0]=4 13414 B12R1.477 CCC(O)CSCC1CCOC1 62a_100011218378_100000702531 [0,1,0,1,0,0|2,0,0]=4 13415 B12R1.477 CCN(C)CCCC1CCCC1 2230a_100000225621_100011713738 [0,1,0,1,0,0|2,0,0]=4 13416 B12R1.477 CCN(C)CCCC1CCCC1 2230a_100015186261_100000210202 [0,1,0,1,0,0|2,0,0]=4 13417 B12R1.477 CCN(C)CCCC1CCCC1 269982a_100000225621_100011713738 [0,1,0,1,0,0|2,0,0]=4 13418 B12R1.477 CCN(C)CCCC1CCCC1 269982a_100015186261_100000204670 [0,1,0,1,0,0|2,0,0]=4 13419 B12R1.477 CCN(C)CCCC1CCCC1 34a_100015186261_100000210202 [0,1,0,1,0,0|2,0,0]=4 13420 B12R1.477 CC[C@H](C)CNCC1CCCC1 2230a_100000737975_100009816398 [0,1,0,1,0,0|2,0,0]=4 13421 B12R1.477 CC[C@H](C)CNCC1CCCC1 34a_100000737975_100009816398 [0,1,0,1,0,0|2,0,0]=4 13422 B12R1.477 CC[C@H](C)CNCC1CCOC1 2230a_100000737293_100009816398 [0,1,0,1,0,0|1,0,0]=3 13423 B12R1.477 CC[C@H](C)CNCC1CCOC1 34a_100000737293_100009816398 [0,1,0,1,0,0|1,0,0]=3 13424 B12R1.477 CC[C@H](C)COCC1CCCC1 34a_100000742336_100009816398 [0,1,0,1,0,0|2,0,0]=4 13425 B12R1.477 CC[C@H](C)COCC1CCCC1 7a_100000742336_100009816398 [0,1,0,1,0,0|2,0,0]=4 13426 B12R1.477 CC[C@H](C)COCC1CCCC1 7a_100009816381_100000740388 [0,1,0,1,0,0|2,0,0]=4 13427 B12R1.477 CC[C@H](C)COCC1CCNC1 34a_100000748654_100009816398 [0,1,0,1,0,0|2,0,0]=4 13428 B12R1.477 CC[C@H](C)COCC1CCOC1 34a_100000740260_100009816398 [0,1,0,1,0,0|1,0,0]=3 13429 B12R1.477 CC[C@H](C)COCC1CCOC1 7a_100009816381_100000702531 [0,1,0,1,0,0|1,0,0]=3 13430 B12R1.477 CC[C@H](C)COCC1COCO1 34a_100011216627_100009816398 [0,1,0,1,0,0|2,0,0]=4 13431 B12R1.477 CC[C@H](C)CSCC1CCCC1 62a_100000740388_100009816398 [0,1,0,1,0,0|2,0,0]=4 13432 B12R1.477 CC[C@H](C)CSCC1CCCC1 62a_100009816398_100000740388 [0,1,0,1,0,0|2,0,0]=4 13433 B12R1.477 CC[C@H](C)CSCC1CCOC1 62a_100000702531_100009816398 [0,1,0,1,0,0|1,0,0]=3 13434 B12R1.477 CC[C@H](C)CSCC1CCOC1 62a_100009816398_100000702531 [0,1,0,1,0,0|1,0,0]=3 13435 B12R1.477 CN(CF)CCCC1CCCC1 269982a_100015186261_100015361967 [0,1,0,1,0,0|2,0,0]=4 13436 B12R1.477 CN(CF)CCCC1CCCC1 34a_100015186261_100015361967 [0,1,0,1,0,0|2,0,0]=4 13437 B12R1.477 COC(C)CCOC1CCCC1 7a_100000764861_100000179811 [0,1,0,1,0,0|2,0,0]=4 13438 B12R1.477 COC(C)CCOC1CCOC1 7a_100000764861_100000731011 [0,1,0,1,0,0|1,0,0]=3 13439 B12R1.477 COC(C)COCC1CCCC1 34a_100000690652_100000740388 [0,1,0,1,0,0|2,0,0]=4 13440 B12R1.477 COC(C)COCC1CCOC1 34a_100000690652_100011261433 [0,1,0,1,0,0|1,0,0]=3 13441 B12R1.477 COC(C)SCCC1CCCC1 62a_100000760354_100009879195 [0,1,0,1,0,0|2,0,0]=4 13442 B12R1.477 COC(C)SCCC1CCCC1 62a_100009879195_100000760354 [0,1,0,1,0,0|2,0,0]=4 13443 B12R1.477 CO[C@H](C)CNCC1CCCC1 2230a_100020591295_100000740388 [0,1,0,1,0,0|2,0,0]=4 13444 B12R1.477 CO[C@H](C)CNCC1CCCC1 269862a_100020591295_100000746403 [0,1,0,1,0,0|2,0,0]=4 13445 B12R1.477 CO[C@H](C)CNCC1CCOC1 2230a_100020591295_100000702531 [0,1,0,1,0,0|1,0,0]=3 13446 B12R1.477 C[C@@H](CO)CNCC1CCCC1 2230a_100000737975_100000059175 [0,1,0,1,0,0|2,0,0]=4 13447 B12R1.477 C[C@@H](CO)CNCC1CCCC1 34a_100000737975_100000059175 [0,1,0,1,0,0|2,0,0]=4 13448 B12R1.477 C[C@@H](CO)CNCC1CCOC1 2230a_100000737293_100000059175 [0,1,0,1,0,0|1,0,0]=3 13449 B12R1.477 C[C@@H](CO)CNCC1CCOC1 34a_100000737293_100000059175 [0,1,0,1,0,0|1,0,0]=3 13450 B12R1.477 C[C@@H](CO)COCC1CCCC1 34a_100000742336_100000059175 [0,1,0,1,0,0|2,0,0]=4 13451 B12R1.477 C[C@@H](CO)COCC1CCCC1 7a_100000742336_100000059175 [0,1,0,1,0,0|2,0,0]=4 13452 B12R1.477 C[C@@H](CO)COCC1CCNC1 34a_100000748654_100000059175 [0,1,0,1,0,0|2,0,0]=4 13453 B12R1.477 C[C@@H](CO)COCC1CCOC1 34a_100000740260_100000059175 [0,1,0,1,0,0|1,0,0]=3 13454 B12R1.477 C[C@@H](CO)COCC1COCO1 34a_100011216627_100000059175 [0,1,0,1,0,0|2,0,0]=4 13455 B12R1.477 C[C@@H](CO)CSCC1CCCC1 62a_100000059175_100000740388 [0,1,0,1,0,0|2,0,0]=4 13456 B12R1.477 C[C@@H](CO)CSCC1CCCC1 62a_100000740388_100000059175 [0,1,0,1,0,0|2,0,0]=4 13457 B12R1.477 C[C@@H](CO)CSCC1CCOC1 62a_100000059175_100000702531 [0,1,0,1,0,0|1,0,0]=3 13458 B12R1.477 C[C@@H](CO)CSCC1CCOC1 62a_100000702531_100000059175 [0,1,0,1,0,0|1,0,0]=3 13459 B12R1.477 C[C@H](CO)NCCC1CCCC1 2230a_100000737577_100000760354 [0,1,0,1,0,0|2,0,0]=4 13460 B12R1.477 C[C@H](CO)SCCC1CCCC1 62a_100000760354_100016084084 [0,1,0,1,0,0|2,0,0]=4 13461 B12R1.477 C[C@H](CO)SCCC1CCCC1 62a_100016084084_100000760354 [0,1,0,1,0,0|2,0,0]=4 13462 B12R1.477 ClCC(Cl)COCC1CCOC1 34a_100000033668_100011261433 [0,1,0,1,0,0|2,0,0]=4 13463 B12R1.477 NC[C@@H](F)COCC1CCOC1 34a_100015665980_100011261433 [0,1,0,1,0,0|2,0,0]=4 13464 B12R1.477 OCC(O)CNCC1CCOC1 2230a_100000737293_100011219619 [0,1,0,1,0,0|2,0,0]=4 13465 B12R1.477 OCC(O)CNCC1CCOC1 34a_100000737293_100011219619 [0,1,0,1,0,0|2,0,0]=4 13466 B12R1.477 OCC(O)COCC1CCOC1 34a_100000740260_100011219619 [0,1,0,1,0,0|2,0,0]=4 13467 B12R1.477 OCC(O)CSCC1CCOC1 62a_100000702531_100011219619 [0,1,0,1,0,0|2,0,0]=4 13468 B12R1.477 OCC(O)CSCC1CCOC1 62a_100011219619_100000702531 [0,1,0,1,0,0|2,0,0]=4 13469 B12R1.477 OC[C@@H](O)CNCC1CCOC1 2230a_100020644852_100000702531 [0,1,0,1,0,0|2,0,0]=4 13470 B12R1.477 OC[C@H](F)CNCC1CCOC1 34a_100015665980_100011261433 [0,1,0,1,0,0|2,0,0]=4 13471 B12R1.477 OC[C@H](O)CNCC1CCOC1 2230a_100000737293_100009815848 [0,1,0,1,0,0|2,0,0]=4 13472 B12R1.477 OC[C@H](O)CNCC1CCOC1 34a_100000737293_100009815848 [0,1,0,1,0,0|2,0,0]=4 13473 B12R1.477 OC[C@H](O)COCC1CCOC1 34a_100000740260_100009815848 [0,1,0,1,0,0|2,0,0]=4 13474 B12R1.477 OC[C@H](O)CSCC1CCOC1 62a_100000702531_100009815848 [0,1,0,1,0,0|2,0,0]=4 13475 B12R1.477 OC[C@H](O)CSCC1CCOC1 62a_100009815848_100000702531 [0,1,0,1,0,0|2,0,0]=4 13476 B12R1.477 O[C@@H](CF)CNCC1CCOC1 2230a_100000737293_100015614560 [0,1,0,1,0,0|2,0,0]=4 13477 B12R1.477 O[C@@H](CF)CNCC1CCOC1 34a_100000737293_100015614560 [0,1,0,1,0,0|2,0,0]=4 13478 B12R1.477 O[C@@H](CF)COCC1CCOC1 34a_100000740260_100015614560 [0,1,0,1,0,0|2,0,0]=4 13479 B12R1.477 O[C@@H](CF)CSCC1CCOC1 62a_100000702531_100015614560 [0,1,0,1,0,0|2,0,0]=4 13480 B12R1.477 O[C@@H](CF)CSCC1CCOC1 62a_100015614560_100000702531 [0,1,0,1,0,0|2,0,0]=4 13481 B12R1.1143 CCC1CCCN(CC1)CCF 2230a_100000757272_100011217306 [0,1,0,1,0,0|2,0,0]=4 13482 B12R1.1143 CCC1CCCN(CC1)CCF 269982a_100000757272_100011217306 [0,1,0,1,0,0|2,0,0]=4 13483 B12R1.1143 CCC1CCCN(CC1)CCF 34a_100000757272_100011217306 [0,1,0,1,0,0|2,0,0]=4 13484 B12R1.1143 CCC1CCCN(CC1)CCO 2230a_100000757272_100000211926 [0,1,0,1,0,0|1,0,0]=3 13485 B12R1.1143 CCC1CCCN(CC1)CCO 269982a_100000757272_100000211926 [0,1,0,1,0,0|1,0,0]=3 13486 B12R1.1143 CCC1CCCN(CC1)CCO 34a_100000757272_100000211926 [0,1,0,1,0,0|1,0,0]=3 13487 B12R1.1143 CCCN1CCCC(CC1)CC 2230a_100000757272_100000210303 [0,1,0,1,0,0|2,0,0]=4 13488 B12R1.1143 CCCN1CCCC(CC1)CC 269982a_100000757272_100000210303 [0,1,0,1,0,0|2,0,0]=4 13489 B12R1.1143 CCCN1CCCC(CC1)CC 34a_100000757272_100000210303 [0,1,0,1,0,0|2,0,0]=4 13490 B12R1.1143 CCCN1CCCC(CC1)OC 2230a_100016993962_100000210303 [0,1,0,1,0,0|2,0,0]=4 13491 B12R1.1143 CCCN1CCCC(CC1)OC 269982a_100016993962_100000210303 [0,1,0,1,0,0|2,0,0]=4 13492 B12R1.1143 CCCN1CCCC(CC1)OC 34a_100016993962_100000210303 [0,1,0,1,0,0|2,0,0]=4 13493 B12R1.1143 CCN1CCCN(CC1)CCO 2230a_100000748291_100000211926 [0,1,0,1,0,0|2,0,0]=4 13494 B12R1.1143 CCN1CCCN(CC1)CCO 269982a_100000748291_100000211926 [0,1,0,1,0,0|2,0,0]=4 13495 B12R1.1143 CCN1CCCN(CC1)CCO 269982a_100000752306_100000204670 [0,1,0,1,0,0|2,0,0]=4 13496 B12R1.1143 COC1CCCN(CC1)CCF 2230a_100016993962_100011217306 [0,1,0,1,0,0|2,0,0]=4 13497 B12R1.1143 COC1CCCN(CC1)CCF 269982a_100016993962_100011217306 [0,1,0,1,0,0|2,0,0]=4 13498 B12R1.1143 COC1CCCN(CC1)CCF 34a_100016993962_100011217306 [0,1,0,1,0,0|2,0,0]=4 13499 B12R1.1143 COC1CCCN(CC1)CCO 2230a_100016993962_100000211926 [0,1,0,1,0,0|1,0,0]=3 13500 B12R1.1143 COC1CCCN(CC1)CCO 269982a_100016993962_100000211926 [0,1,0,1,0,0|1,0,0]=3 13501 B12R1.1143 COC1CCCN(CC1)CCO 34a_100016993962_100000211926 [0,1,0,1,0,0|1,0,0]=3 13502 B12R1.1143 OCCN1CCCN(CC1)CF 269982a_100000752306_100015361967 [0,1,0,1,0,0|2,0,0]=4 13503 B12R1.1527 CC(CCN)COCC1(CO1)C 34a_106354213184_100000760498 [0,1,0,1,0,0|2,0,0]=4 13504 B12R1.1527 CC(CCO)OCCC1(N=N1)C 34a_100009880064_100009893172 [0,1,0,1,0,0|2,0,0]=4 13505 B12R1.1527 CCCC(C)CNCC1(CC1)C 2230a_100000766693_100011216630 [0,1,0,1,0,0|2,0,0]=4 13506 B12R1.1527 CCCC(C)CNCC1(CC1)C 270004a_100000766693_100000243154 [0,1,0,1,0,0|2,0,0]=4 13507 B12R1.1527 CCCC(C)CNCC1(CC1)O 2230a_100011936951_100011216630 [0,1,0,1,0,0|2,0,0]=4 13508 B12R1.1527 CCCC(C)CNCC1(CC1)O 270004a_100011936951_100000243154 [0,1,0,1,0,0|2,0,0]=4 13509 B12R1.1527 CCCC(C)COCC1(CC1)C 7a_100000698024_100011216630 [0,1,0,1,0,0|2,0,0]=4 13510 B12R1.1527 CCCC(C)COCC1(CC1)F 34a_200000703853_100011216630 [0,1,0,1,0,0|2,0,0]=4 13511 B12R1.1527 CCCC(C)COCC1(CC1)F 7a_200000703853_100011216630 [0,1,0,1,0,0|2,0,0]=4 13512 B12R1.1527 CCCC(C)COCC1(CO1)C 34a_100000688023_100000760498 [0,1,0,1,0,0|2,0,0]=4 13513 B12R1.1527 CCCC(C)CSCC1(CO1)C 62a_100000760498_100011216630 [0,1,0,1,0,0|2,0,0]=4 13514 B12R1.1527 CCCC(C)CSCC1(CO1)C 62a_100011216630_100000760498 [0,1,0,1,0,0|2,0,0]=4 13515 B12R1.1621 CC(CCO)SC1CC(C1)CO 62a_100009874164_100009893172 [0,1,0,1,0,0|1,0,0]=3 13516 B12R1.1621 CC(CCO)SC1CC(C1)CO 62a_100009893172_100009874164 [0,1,0,1,0,0|1,0,0]=3 13517 B12R1.1621 CCCC(C)CN1CC(C1)CC 2230a_100015205115_100011216630 [0,1,0,1,0,0|2,0,0]=4 13518 B12R1.1621 CCCC(C)CN1CC(C1)CC 269982a_100015205115_100011216630 [0,1,0,1,0,0|2,0,0]=4 13519 B12R1.1621 CCCC(C)CN1CC(C1)CC 270004a_100015205115_100000243154 [0,1,0,1,0,0|2,0,0]=4 13520 B12R1.1621 CCCC(C)CN1CC(C1)CF 269982a_100010363649_100011216630 [0,1,0,1,0,0|2,0,0]=4 13521 B12R1.1621 CCCC(C)CN1CC(C1)CF 34a_100010363649_100011216630 [0,1,0,1,0,0|2,0,0]=4 13522 B12R1.1621 CCCC(C)CN1CC(C1)CO 269982a_100016987283_100011216630 [0,1,0,1,0,0|2,0,0]=4 13523 B12R1.1621 CCCC(C)CN1CC(C1)CO 34a_100016987283_100011216630 [0,1,0,1,0,0|2,0,0]=4 13524 B12R1.1621 CCCC(C)CN1CC(C1)OC 269982a_100000755009_100011216630 [0,1,0,1,0,0|2,0,0]=4 13525 B12R1.1621 CCCC(C)CN1CC(C1)SC 269982a_100016990038_100011216630 [0,1,0,1,0,0|2,0,0]=4 13526 B12R1.1621 CCCC(C)CN1CC(C1)SC 270004a_100016990038_100000243154 [0,1,0,1,0,0|2,0,0]=4 13527 B12R1.1621 CCCC(C)NC1CC(C1)CO 270004a_100000095622_100000211909 [0,1,0,1,0,0|2,0,0]=4 13528 B12R1.1621 CCCC(C)NC1CC(C1)CO 270004a_100000741246_100000101936 [0,1,0,1,0,0|2,0,0]=4 13529 B12R1.1621 CCCC(C)N[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000766640 [0,1,0,1,0,0|2,0,0]=4 13530 B12R1.1621 CCCC(C)N[C@H]1C[C@@H](C1)OC 270004a_100121570643_100000211909 [0,1,0,1,0,0|2,0,0]=4 13531 B12R1.1621 CCCC(C)SC1CC(C1)CO 62a_100000766640_100009874164 [0,1,0,1,0,0|2,0,0]=4 13532 B12R1.1621 CCCC(C)SC1CC(C1)CO 62a_100009874164_100000766640 [0,1,0,1,0,0|2,0,0]=4 13533 B12R1.1621 CCN1CC(C1)NC(C)CCO 2230a_200015199589_100009893172 [0,1,0,1,0,0|2,0,0]=4 13534 B12R1.1621 CO[C@H]1C[C@@H](C1)NC(C)CCO 2230a_100121570643_100009893172 [0,1,0,1,0,0|1,0,0]=3 13535 B12R1.1621 C[C@H](CCO)NC1CC(C1)C#N 270004a_100000706166_100000077199 [0,1,0,1,0,0|1,0,1]=4 13536 B12R1.1621 C[C@H](CCO)NC1CC(C1)CO 270004a_100000706166_100000101936 [0,1,0,1,0,0|1,0,0]=3 13537 B12R1.1689 CC(CO)CCNC(C)C1CC1 269862a_106354213184_100000210639 [0,1,0,1,0,0|2,0,0]=4 13538 B12R1.1689 CC(CO)CCNC(C)C1CO1 270004a_106354213184_100000031964 [0,1,0,1,0,0|1,0,0]=3 13539 B12R1.1689 CCC(C)CCNC(C)C1CC1 269862a_100020591266_100000210639 [0,1,0,1,0,0|2,0,0]=4 13540 B12R1.1689 CCC(C)CCNC(C)C1CO1 270004a_100020591266_100000031964 [0,1,0,1,0,0|1,0,0]=3 13541 B12R1.1849 CC(CN)COCC1(CCC1)C 34a_100000744482_100000726658 [0,1,0,1,0,0|2,0,0]=4 13542 B12R1.1849 CC(CO)CNCC1(CCC1)C 34a_100000744482_100000726658 [0,1,0,1,0,0|2,0,0]=4 13543 B12R1.1849 CCC(C)CNCC1(CCC1)C 2230a_100000706607_100000748023 [0,1,0,1,0,0|2,0,0]=4 13544 B12R1.1849 CCC(C)CNCC1(CCC1)C 2230a_100020588543_100000726658 [0,1,0,1,0,0|2,0,0]=4 13545 B12R1.1849 CCC(C)CNCC1(CCC1)C 270004a_100000706607_100000243153 [0,1,0,1,0,0|2,0,0]=4 13546 B12R1.1849 CCC(C)CSCC1(CCC1)C 62a_100000726658_100000748023 [0,1,0,1,0,0|2,0,0]=4 13547 B12R1.1849 CCC(C)CSCC1(CCC1)C 62a_100000748023_100000726658 [0,1,0,1,0,0|2,0,0]=4 13548 B12R1.1849 CC[C@H](C)CNCC1(CCC1)C 2230a_100000706607_100009816398 [0,1,0,1,0,0|2,0,0]=4 13549 B12R1.1849 CC[C@H](C)COCC1(CCC1)C 7a_100009816381_100000726658 [0,1,0,1,0,0|2,0,0]=4 13550 B12R1.1849 CC[C@H](C)CSCC1(CCC1)C 62a_100000726658_100009816398 [0,1,0,1,0,0|2,0,0]=4 13551 B12R1.1849 CC[C@H](C)CSCC1(CCC1)C 62a_100009816398_100000726658 [0,1,0,1,0,0|2,0,0]=4 13552 B12R1.1849 COC(C)COCC1(CCC1)C 34a_100000690652_100000726658 [0,1,0,1,0,0|2,0,0]=4 13553 B12R1.1849 CO[C@H](C)CNCC1(CCC1)C 2230a_100020591295_100000726658 [0,1,0,1,0,0|2,0,0]=4 13554 B12R1.1849 C[C@@H](CO)CNCC1(CCC1)C 2230a_100000706607_100000059175 [0,1,0,1,0,0|2,0,0]=4 13555 B12R1.1849 C[C@@H](CO)CSCC1(CCC1)C 62a_100000059175_100000726658 [0,1,0,1,0,0|2,0,0]=4 13556 B12R1.1849 C[C@@H](CO)CSCC1(CCC1)C 62a_100000726658_100000059175 [0,1,0,1,0,0|2,0,0]=4 13557 B12R1.2228 CCC1(CCCN(C1)CCF)C 2230a_100000756310_100011217306 [0,1,0,1,0,0|2,0,0]=4 13558 B12R1.2228 CCC1(CCCN(C1)CCF)C 269982a_100000756310_100011217306 [0,1,0,1,0,0|2,0,0]=4 13559 B12R1.2228 CCC1(CCCN(C1)CCO)C 2230a_100000756310_100000211926 [0,1,0,1,0,0|1,0,0]=3 13560 B12R1.2228 CCC1(CCCN(C1)CCO)C 269982a_100000756310_100000211926 [0,1,0,1,0,0|1,0,0]=3 13561 B12R1.2228 CCCN1CCCC(C1)(C)CC 2230a_100000756310_100000210303 [0,1,0,1,0,0|2,0,0]=4 13562 B12R1.2228 CCCN1CCCC(C1)(C)CC 269982a_100000756310_100000210303 [0,1,0,1,0,0|2,0,0]=4 13563 B12R1.119 CC1CCCC(C1)NC(C)(C)C 34a_100011194320_100000210625 [0,1,0,1,0,0|2,0,0]=4 13564 B12R1.119 CC1CCCC(C1)OC(C)(C)C 34a_100000211399_100000210625 [0,1,0,1,0,0|2,0,0]=4 13565 B12R1.119 C[C@H]1CCCN(C1)CC(C)(C)C 270004a_100000717927_100011204126 [0,1,0,1,0,0|2,0,0]=4 13566 B12R1.119 C[C@H]1CCCN(C1)CC(C)(C)C 34a_100000717927_100011219605 [0,1,0,1,0,0|2,0,0]=4 13567 B12R1.119 C[C@H]1CCCN(C1)CC(C)(C)F 34a_100000717927_100011997219 [0,1,0,1,0,0|2,0,0]=4 13568 B12R1.119 C[C@H]1CCCN(C1)CC(C)(C)O 34a_100000717927_100000764493 [0,1,0,1,0,0|2,0,0]=4 13569 B12R1.129 CC1CCCC1NCC(C)(C)C 269862a_100000743828_100000752053 [0,1,0,1,0,0|2,0,0]=4 13570 B12R1.129 CC1CCCC1NCC(C)(C)F 269862a_100020643315_100000752053 [0,1,0,1,0,0|2,0,0]=4 13571 B12R1.129 CC1CCCC1NCC(C)(C)O 269862a_100000751335_100000752053 [0,1,0,1,0,0|2,0,0]=4 13572 B12R1.129 CC1CCCC1OCC(C)(C)C 34a_100011216460_100011219605 [0,1,0,1,0,0|2,0,0]=4 13573 B12R1.129 CC1CCCC1OCC(C)(C)F 34a_100011216460_100011997219 [0,1,0,1,0,0|2,0,0]=4 13574 B12R1.129 CC1CCCC1OCC(C)(C)O 34a_100011216460_100000764493 [0,1,0,1,0,0|2,0,0]=4 13575 B12R1.129 CC1CCCC1OCC(C)(C)O 7a_100011216460_100000764493 [0,1,0,1,0,0|2,0,0]=4 13576 B12R1.129 C[C@@H]1CCCN1CCC(C)(C)C 2230a_100015189458_100000755188 [0,1,0,1,0,0|2,0,0]=4 13577 B12R1.129 C[C@@H]1CCCN1CCC(C)(C)C 269982a_100015189458_100000755188 [0,1,0,1,0,0|2,0,0]=4 13578 B12R1.129 C[C@@H]1CCCN1CCC(C)(C)C 34a_100015189458_100000755188 [0,1,0,1,0,0|2,0,0]=4 13579 B12R1.129 C[C@@H]1CCCN1CCC(C)(C)O 2230a_100015189458_100000702414 [0,1,0,1,0,0|2,0,0]=4 13580 B12R1.129 C[C@@H]1CCCN1CCC(C)(C)O 34a_100015189458_100000702414 [0,1,0,1,0,0|2,0,0]=4 13581 B12R1.129 C[C@H]1CCCN1CCC(C)(C)C 2230a_100020605311_100000755188 [0,1,0,1,0,0|2,0,0]=4 13582 B12R1.129 C[C@H]1CCCN1CCC(C)(C)C 269982a_100020605311_100000755188 [0,1,0,1,0,0|2,0,0]=4 13583 B12R1.129 C[C@H]1CCCN1CCC(C)(C)O 2230a_100020605311_100000702414 [0,1,0,1,0,0|2,0,0]=4 13584 B12R1.180 CC(C)(C)N1CCC(C1)CCO 269982a_100016987287_100000210625 [0,1,0,1,0,0|1,0,0]=3 13585 B12R1.180 CC(C)(C)N1CCC(C1)CCO 34a_100016987287_100000210625 [0,1,0,1,0,0|1,0,0]=3 13586 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CCF 2230a_100132313854_100011217306 [0,1,0,1,0,0|2,0,0]=4 13587 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CCF 269982a_100132313854_100011217306 [0,1,0,1,0,0|2,0,0]=4 13588 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CCF 34a_100132313854_100011217306 [0,1,0,1,0,0|2,0,0]=4 13589 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CCO 2230a_100132313854_100000211926 [0,1,0,1,0,0|1,0,0]=3 13590 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CCO 269982a_100132313854_100000211926 [0,1,0,1,0,0|1,0,0]=3 13591 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CCO 34a_100132313854_100000211926 [0,1,0,1,0,0|1,0,0]=3 13592 B12R1.180 CCCN1CC[C@H](C1)C(C)(C)O 2230a_100132313854_100000210303 [0,1,0,1,0,0|2,0,0]=4 13593 B12R1.180 CCCN1CC[C@H](C1)C(C)(C)O 269982a_100132313854_100000210303 [0,1,0,1,0,0|2,0,0]=4 13594 B12R1.180 CCCN1CC[C@H](C1)C(C)(C)O 34a_100132313854_100000210303 [0,1,0,1,0,0|2,0,0]=4 13595 B12R1.219 CC(C)(C)CCNC1CC(C1)F 2230a_100016993743_100000755188 [0,1,0,1,0,0|2,0,0]=4 13596 B12R1.219 CC(C)(C)CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000755188 [0,1,0,1,0,0|1,0,0]=3 13597 B12R1.219 CC(C)(C)CNCC1CC(C1)O 270004a_100016992100_100011204126 [0,1,0,1,0,0|1,0,0]=3 13598 B12R1.219 CC(C)(C)COCC1CC(C1)Cl 34a_100009874164_100011219605 [0,1,0,1,0,0|2,0,0]=4 13599 B12R1.219 CC(C)(F)COCC1CC(C1)Cl 34a_100009874164_100011997219 [0,1,0,1,0,0|2,0,0]=4 13600 B12R1.219 CC(C)(O)CCCN1CC(C1)F 2230a_100000690557_100009888830 [0,1,0,1,0,0|2,0,0]=4 13601 B12R1.219 CC(C)(O)CCCN1CC(C1)F 269982a_100000690557_100009888830 [0,1,0,1,0,0|2,0,0]=4 13602 B12R1.219 CC(C)(O)CCCN1CC(C1)F 34a_100000690557_100009888830 [0,1,0,1,0,0|2,0,0]=4 13603 B12R1.219 CC(C)(O)CCCN1CC(C1)O 269982a_100000749847_100009888830 [0,1,0,1,0,0|1,0,0]=3 13604 B12R1.219 CC(C)(O)CCNC1CC(C1)F 2230a_100016993743_100000702414 [0,1,0,1,0,0|2,0,0]=4 13605 B12R1.219 CC(C)(O)CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000702414 [0,1,0,1,0,0|1,0,0]=3 13606 B12R1.219 CC(C)(O)COCC1CC(C1)Cl 34a_100009874164_100000764493 [0,1,0,1,0,0|2,0,0]=4 13607 B12R1.219 CC1CN(C1)CCCC(C)(C)O 2230a_100000702820_100009888830 [0,1,0,1,0,0|2,0,0]=4 13608 B12R1.219 CC1CN(C1)CCCC(C)(C)O 269982a_100000702820_100009888830 [0,1,0,1,0,0|2,0,0]=4 13609 B12R1.219 CC1CN(C1)CCCC(C)(C)O 34a_100000702820_100009888830 [0,1,0,1,0,0|2,0,0]=4 13610 B12R1.219 C[N+](C)(C)CCCN1CC(C1)O 269982a_100000749847_100016990835 [0,1,0,1,0,0|2,0,0]=4 13611 B12R1.219 C[Si](C)(C)CCCN1CC(C1)O 269982a_100000749847_100011219597 [0,1,0,1,0,0|1,1,0]=4 13612 B12R1.219 C[Si](C)(C)CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_200000733723 [0,1,0,1,0,0|1,1,0]=4 13613 B12R1.219 C[Si](C)(C)CNCC1CC(C1)O 2230a_100016992100_100000037933 [0,1,0,1,0,0|1,1,0]=4 13614 B12R1.890 CC(C)(C)CCNC1CCCC1 2230a_100000211070_100000755188 [0,1,0,1,0,0|2,0,0]=4 13615 B12R1.890 CC(C)(C)CCNC1CCCC1 2230a_100000738805_100000179811 [0,1,0,1,0,0|2,0,0]=4 13616 B12R1.890 CC(C)(C)CCNC1CCCC1 270004a_100000738805_100000210133 [0,1,0,1,0,0|2,0,0]=4 13617 B12R1.890 CC(C)(C)CCNC1CCCC1 34a_100000211070_100000755188 [0,1,0,1,0,0|2,0,0]=4 13618 B12R1.890 CC(C)(C)CCNC1CCOC1 2230a_100000738805_100000731011 [0,1,0,1,0,0|1,0,0]=3 13619 B12R1.890 CC(C)(C)CCNC1CCOC1 270004a_100000738805_100000752484 [0,1,0,1,0,0|1,0,0]=3 13620 B12R1.890 CC(C)(C)CCNC1CCSC1 270004a_100000738805_100000212027 [0,1,0,1,0,0|1,1,0]=4 13621 B12R1.890 CC(C)(C)CCN[C@@H]1CCOC1 2230a_200015188469_100000755188 [0,1,0,1,0,0|1,0,0]=3 13622 B12R1.890 CC(C)(C)CCN[C@H]1CCOC1 2230a_100015188467_100000755188 [0,1,0,1,0,0|1,0,0]=3 13623 B12R1.890 CC(C)(C)CCN[C@H]1CCOC1 34a_100015188467_100000755188 [0,1,0,1,0,0|1,0,0]=3 13624 B12R1.890 CC(C)(C)CCOC1CCCC1 34a_100000210269_100000755188 [0,1,0,1,0,0|2,0,0]=4 13625 B12R1.890 CC(C)(C)CCOC1CCCC1 7a_100000210269_100000755188 [0,1,0,1,0,0|2,0,0]=4 13626 B12R1.890 CC(C)(C)CCOC1CCCC1 7a_100000765024_100000179811 [0,1,0,1,0,0|2,0,0]=4 13627 B12R1.890 CC(C)(C)CCOC1CCOC1 7a_100000765024_100000731011 [0,1,0,1,0,0|1,0,0]=3 13628 B12R1.890 CC(C)(C)CCOC1CCSC1 7a_100011232664_100000755188 [0,1,0,1,0,0|1,1,0]=4 13629 B12R1.890 CC(C)(C)CCO[C@H]1CCOC1 34a_100000717292_100000755188 [0,1,0,1,0,0|1,0,0]=3 13630 B12R1.890 CC(C)(C)CCSC1CCCC1 62a_100000755188_100000179811 [0,1,0,1,0,0|2,0,0]=4 13631 B12R1.890 CC(C)(C)CCSC1CCCC1 62a_100011217020_100000755188 [0,1,0,1,0,0|2,0,0]=4 13632 B12R1.890 CC(C)(C)CCSC1CCOC1 62a_100000755188_100000690089 [0,1,0,1,0,0|1,0,0]=3 13633 B12R1.890 CC(C)(C)CNCC1CCCC1 2230a_100000743828_100000740388 [0,1,0,1,0,0|2,0,0]=4 13634 B12R1.890 CC(C)(C)CNCC1CCCC1 269862a_100000743828_100000746403 [0,1,0,1,0,0|2,0,0]=4 13635 B12R1.890 CC(C)(C)CNCC1CCCC1 270004a_100000737975_100011204126 [0,1,0,1,0,0|2,0,0]=4 13636 B12R1.890 CC(C)(C)CNCC1CCCC1 34a_100000737975_100011219605 [0,1,0,1,0,0|2,0,0]=4 13637 B12R1.890 CC(C)(C)CNCC1CCOC1 2230a_100000743828_100000702531 [0,1,0,1,0,0|1,0,0]=3 13638 B12R1.890 CC(C)(C)CNCC1CCOC1 270004a_100000737293_100011204126 [0,1,0,1,0,0|1,0,0]=3 13639 B12R1.890 CC(C)(C)CNCC1CCOC1 34a_100000737293_100011219605 [0,1,0,1,0,0|1,0,0]=3 13640 B12R1.890 CC(C)(C)COCC1CCCC1 34a_100000742336_100011219605 [0,1,0,1,0,0|2,0,0]=4 13641 B12R1.890 CC(C)(C)COCC1CCNC1 34a_100000748654_100011219605 [0,1,0,1,0,0|2,0,0]=4 13642 B12R1.890 CC(C)(C)COCC1CCOC1 34a_100000740260_100011219605 [0,1,0,1,0,0|1,0,0]=3 13643 B12R1.890 CC(C)(C)COCC1COCO1 34a_100011216627_100011219605 [0,1,0,1,0,0|2,0,0]=4 13644 B12R1.890 CC(C)(C)CSCC1CCCC1 62a_100000740388_100011219605 [0,1,0,1,0,0|2,0,0]=4 13645 B12R1.890 CC(C)(C)CSCC1CCCC1 62a_100011219605_100000740388 [0,1,0,1,0,0|2,0,0]=4 13646 B12R1.890 CC(C)(C)CSCC1CCOC1 62a_100000702531_100011219605 [0,1,0,1,0,0|1,0,0]=3 13647 B12R1.890 CC(C)(C)CSCC1CCOC1 62a_100011219605_100000702531 [0,1,0,1,0,0|1,0,0]=3 13648 B12R1.890 CC(C)(C)NCCC1CCCC1 2230a_100000715429_100000760354 [0,1,0,1,0,0|2,0,0]=4 13649 B12R1.890 CC(C)(C)NCCC1CCCC1 34a_100000739158_100000210625 [0,1,0,1,0,0|2,0,0]=4 13650 B12R1.890 CC(C)(C)OCCC1CCCC1 34a_100000749090_100000210625 [0,1,0,1,0,0|2,0,0]=4 13651 B12R1.890 CC(C)(C)OCCC1CCCC1 34a_100015890283_100000760354 [0,1,0,1,0,0|2,0,0]=4 13652 B12R1.890 CC(C)(C)OCCC1CCCC1 7a_100015890283_100000760354 [0,1,0,1,0,0|2,0,0]=4 13653 B12R1.890 CC(C)(C)OCCC1CCNC1 34a_100016987287_100000210625 [0,1,0,1,0,0|2,0,0]=4 13654 B12R1.890 CC(C)(C)OCCC1CCOC1 34a_100011879284_100000210625 [0,1,0,1,0,0|1,0,0]=3 13655 B12R1.890 CC(C)(C)SCCC1CCCC1 62a_100000211941_100000760354 [0,1,0,1,0,0|2,0,0]=4 13656 B12R1.890 CC(C)(C)SCCC1CCCC1 62a_100000760354_100000211941 [0,1,0,1,0,0|2,0,0]=4 13657 B12R1.890 CC(C)(F)CCNC1CCCC1 2230a_100016253952_100000179811 [0,1,0,1,0,0|2,0,0]=4 13658 B12R1.890 CC(C)(F)CCNC1CCCC1 270004a_100016253952_100000210133 [0,1,0,1,0,0|2,0,0]=4 13659 B12R1.890 CC(C)(F)CCNC1CCOC1 2230a_100016253952_100000731011 [0,1,0,1,0,0|1,0,0]=3 13660 B12R1.890 CC(C)(F)CCNC1CCOC1 270004a_100016253952_100000752484 [0,1,0,1,0,0|1,0,0]=3 13661 B12R1.890 CC(C)(F)CCNC1CCSC1 270004a_100016253952_100000212027 [0,1,0,1,0,0|1,1,0]=4 13662 B12R1.890 CC(C)(F)CNCC1CCCC1 2230a_100020643315_100000740388 [0,1,0,1,0,0|2,0,0]=4 13663 B12R1.890 CC(C)(F)CNCC1CCCC1 269862a_100020643315_100000746403 [0,1,0,1,0,0|2,0,0]=4 13664 B12R1.890 CC(C)(F)CNCC1CCCC1 34a_100000737975_100011997219 [0,1,0,1,0,0|2,0,0]=4 13665 B12R1.890 CC(C)(F)CNCC1CCOC1 2230a_100020643315_100000702531 [0,1,0,1,0,0|1,0,0]=3 13666 B12R1.890 CC(C)(F)CNCC1CCOC1 34a_100000737293_100011997219 [0,1,0,1,0,0|1,0,0]=3 13667 B12R1.890 CC(C)(F)COCC1CCCC1 34a_100000716592_100000740388 [0,1,0,1,0,0|2,0,0]=4 13668 B12R1.890 CC(C)(F)COCC1CCCC1 34a_100000742336_100011997219 [0,1,0,1,0,0|2,0,0]=4 13669 B12R1.890 CC(C)(F)COCC1CCNC1 34a_100000748654_100011997219 [0,1,0,1,0,0|2,0,0]=4 13670 B12R1.890 CC(C)(F)COCC1CCOC1 34a_100000716592_100011261433 [0,1,0,1,0,0|1,0,0]=3 13671 B12R1.890 CC(C)(F)COCC1CCOC1 34a_100000740260_100011997219 [0,1,0,1,0,0|1,0,0]=3 13672 B12R1.890 CC(C)(F)COCC1COCO1 34a_100011216627_100011997219 [0,1,0,1,0,0|2,0,0]=4 13673 B12R1.890 CC(C)(F)CSCC1CCCC1 62a_100000740388_100011997219 [0,1,0,1,0,0|2,0,0]=4 13674 B12R1.890 CC(C)(F)CSCC1CCCC1 62a_100011997219_100000740388 [0,1,0,1,0,0|2,0,0]=4 13675 B12R1.890 CC(C)(F)CSCC1CCOC1 62a_100000702531_100011997219 [0,1,0,1,0,0|1,0,0]=3 13676 B12R1.890 CC(C)(F)CSCC1CCOC1 62a_100011997219_100000702531 [0,1,0,1,0,0|1,0,0]=3 13677 B12R1.890 CC(C)(O)CCCN1CCCC1 2230a_100000188435_100009888830 [0,1,0,1,0,0|2,0,0]=4 13678 B12R1.890 CC(C)(O)CCCN1CCCC1 269982a_100000188435_100009888830 [0,1,0,1,0,0|2,0,0]=4 13679 B12R1.890 CC(C)(O)CCCN1CCSC1 2230a_100011215254_100009888830 [0,1,0,1,0,0|1,1,0]=4 13680 B12R1.890 CC(C)(O)CCCN1CCSC1 269982a_100011215254_100009888830 [0,1,0,1,0,0|1,1,0]=4 13681 B12R1.890 CC(C)(O)CCNC1CCCC1 2230a_100000211070_100000702414 [0,1,0,1,0,0|2,0,0]=4 13682 B12R1.890 CC(C)(O)CCNC1CCCC1 270004a_100000707701_100000210133 [0,1,0,1,0,0|2,0,0]=4 13683 B12R1.890 CC(C)(O)CCNC1CCCC1 34a_100000211070_100000702414 [0,1,0,1,0,0|2,0,0]=4 13684 B12R1.890 CC(C)(O)CCNC1CCOC1 270004a_100000707701_100000752484 [0,1,0,1,0,0|1,0,0]=3 13685 B12R1.890 CC(C)(O)CCNC1CCSC1 270004a_100000707701_100000212027 [0,1,0,1,0,0|1,1,0]=4 13686 B12R1.890 CC(C)(O)CCN[C@@H]1CCOC1 2230a_200015188469_100000702414 [0,1,0,1,0,0|1,0,0]=3 13687 B12R1.890 CC(C)(O)CCN[C@H]1CCOC1 2230a_100015188467_100000702414 [0,1,0,1,0,0|1,0,0]=3 13688 B12R1.890 CC(C)(O)CCN[C@H]1CCOC1 34a_100015188467_100000702414 [0,1,0,1,0,0|1,0,0]=3 13689 B12R1.890 CC(C)(O)CCOC1CCCC1 34a_100000210269_100000702414 [0,1,0,1,0,0|2,0,0]=4 13690 B12R1.890 CC(C)(O)CCOC1CCCC1 7a_100000210269_100000702414 [0,1,0,1,0,0|2,0,0]=4 13691 B12R1.890 CC(C)(O)CCOC1CCSC1 7a_100011232664_100000702414 [0,1,0,1,0,0|1,1,0]=4 13692 B12R1.890 CC(C)(O)CCO[C@H]1CCOC1 34a_100000717292_100000702414 [0,1,0,1,0,0|1,0,0]=3 13693 B12R1.890 CC(C)(O)CCSC1CCCC1 62a_100000702414_100000179811 [0,1,0,1,0,0|2,0,0]=4 13694 B12R1.890 CC(C)(O)CCSC1CCCC1 62a_100011217020_100000702414 [0,1,0,1,0,0|2,0,0]=4 13695 B12R1.890 CC(C)(O)CCSC1CCOC1 62a_100000702414_100000690089 [0,1,0,1,0,0|1,0,0]=3 13696 B12R1.890 CC(C)(O)CNCC1CCCC1 2230a_100000751335_100000740388 [0,1,0,1,0,0|2,0,0]=4 13697 B12R1.890 CC(C)(O)CNCC1CCCC1 269862a_100000751335_100000746403 [0,1,0,1,0,0|2,0,0]=4 13698 B12R1.890 CC(C)(O)CNCC1CCCC1 34a_100000737975_100000764493 [0,1,0,1,0,0|2,0,0]=4 13699 B12R1.890 CC(C)(O)CNCC1CCOC1 2230a_100000751335_100000702531 [0,1,0,1,0,0|1,0,0]=3 13700 B12R1.890 CC(C)(O)CNCC1CCOC1 34a_100000737293_100000764493 [0,1,0,1,0,0|1,0,0]=3 13701 B12R1.890 CC(C)(O)COCC1CCCC1 34a_100000742336_100000764493 [0,1,0,1,0,0|2,0,0]=4 13702 B12R1.890 CC(C)(O)COCC1CCCC1 7a_100000742336_100000764493 [0,1,0,1,0,0|2,0,0]=4 13703 B12R1.890 CC(C)(O)COCC1CCNC1 34a_100000748654_100000764493 [0,1,0,1,0,0|2,0,0]=4 13704 B12R1.890 CC(C)(O)COCC1CCOC1 34a_100000740260_100000764493 [0,1,0,1,0,0|1,0,0]=3 13705 B12R1.890 CC(C)(O)COCC1COCO1 34a_100011216627_100000764493 [0,1,0,1,0,0|2,0,0]=4 13706 B12R1.890 CC(C)(O)CSCC1CCCC1 62a_100000740388_100000764493 [0,1,0,1,0,0|2,0,0]=4 13707 B12R1.890 CC(C)(O)CSCC1CCCC1 62a_100000764493_100000740388 [0,1,0,1,0,0|2,0,0]=4 13708 B12R1.890 CC(C)(O)CSCC1CCOC1 62a_100000702531_100000764493 [0,1,0,1,0,0|1,0,0]=3 13709 B12R1.890 CC(C)(O)CSCC1CCOC1 62a_100000764493_100000702531 [0,1,0,1,0,0|1,0,0]=3 13710 B12R1.890 CC(F)(F)COCC1CCOC1 34a_100000068830_100011261433 [0,1,0,1,0,0|2,0,0]=4 13711 B12R1.890 C[N+](C)(C)CCNC1CCOC1 270004a_100000106457_100000752484 [0,1,0,1,0,0|2,0,0]=4 13712 B12R1.890 C[N+](C)(C)CCN[C@H]1CCOC1 34a_100015188467_100000085578 [0,1,0,1,0,0|2,0,0]=4 13713 B12R1.890 C[N+](C)(C)CCOC1CCOC1 7a_200020618287_100000731011 [0,1,0,1,0,0|2,0,0]=4 13714 B12R1.890 C[N+](C)(C)CCO[C@H]1CCOC1 34a_100000717292_100000085578 [0,1,0,1,0,0|2,0,0]=4 13715 B12R1.890 C[N+](C)(C)CCSC1CCOC1 62a_100000085578_100000690089 [0,1,0,1,0,0|2,0,0]=4 13716 B12R1.890 C[N+](C)(C)CSCC1CCOC1 62a_100000702531_200000036245 [0,1,0,1,0,0|2,0,0]=4 13717 B12R1.890 C[N+](C)(C)CSCC1CCOC1 62a_200000036245_100000702531 [0,1,0,1,0,0|2,0,0]=4 13718 B12R1.890 C[Si](C)(C)CCN[C@@H]1CCOC1 2230a_200015188469_200000733723 [0,1,0,1,0,0|1,1,0]=4 13719 B12R1.890 C[Si](C)(C)CCN[C@H]1CCOC1 2230a_100015188467_200000733723 [0,1,0,1,0,0|1,1,0]=4 13720 B12R1.890 C[Si](C)(C)CCN[C@H]1CCOC1 34a_100015188467_200000733723 [0,1,0,1,0,0|1,1,0]=4 13721 B12R1.890 C[Si](C)(C)CCOC1CCOC1 7a_100000039746_100000731011 [0,1,0,1,0,0|1,1,0]=4 13722 B12R1.890 C[Si](C)(C)CCO[C@H]1CCOC1 34a_100000717292_200000733723 [0,1,0,1,0,0|1,1,0]=4 13723 B12R1.890 C[Si](C)(C)CCSC1CCOC1 62a_200000733723_100000690089 [0,1,0,1,0,0|1,1,0]=4 13724 B12R1.890 C[Si](C)(C)CNCC1CCOC1 2230a_100000737293_100000037933 [0,1,0,1,0,0|1,1,0]=4 13725 B12R1.890 C[Si](C)(C)CSCC1CCOC1 62a_100000037933_100000702531 [0,1,0,1,0,0|1,1,0]=4 13726 B12R1.890 C[Si](C)(C)CSCC1CCOC1 62a_100000702531_100000037933 [0,1,0,1,0,0|1,1,0]=4 13727 B12R1.1019 CC(C)(C)C1CCCN(CC1)[13CH3] 2230a_100000756814_200025704644 [0,1,0,1,0,0|2,0,0]=4 13728 B12R1.1019 CC(C)(C)C1CCCN(CC1)[13CH3] 269982a_100000756814_200025704644 [0,1,0,1,0,0|2,0,0]=4 13729 B12R1.1019 CC(C)(C)C1CCCN(CC1)[13CH3] 34a_100000756814_200025704644 [0,1,0,1,0,0|2,0,0]=4 13730 B12R1.1019 CC1CCCN(CC1)C(C)(C)C 269982a_100025706717_100000210625 [0,1,0,1,0,0|2,0,0]=4 13731 B12R1.1019 CC1CCCN(CC1)C(C)(C)C 34a_100025706717_100000210625 [0,1,0,1,0,0|2,0,0]=4 13732 B12R1.1019 CN1CCCC(CC1)C(C)(C)C 2230a_100000756814_200000210301 [0,1,0,1,0,0|2,0,0]=4 13733 B12R1.1019 CN1CCCC(CC1)C(C)(C)C 269982a_100000756814_200000210301 [0,1,0,1,0,0|2,0,0]=4 13734 B12R1.1019 CN1CCCC(CC1)C(C)(C)C 34a_100000756814_200000210301 [0,1,0,1,0,0|2,0,0]=4 13735 B12R1.1029 CC(C)(C)CCNC1(CCC1)C 2230a_100000692455_100000755188 [0,1,0,1,0,0|2,0,0]=4 13736 B12R1.1029 CC(C)(C)CCNC1(CCC1)C 34a_100000692455_100000755188 [0,1,0,1,0,0|2,0,0]=4 13737 B12R1.1029 CC(C)(C)CCOC1(CCC1)C 34a_100000759064_100000755188 [0,1,0,1,0,0|2,0,0]=4 13738 B12R1.1029 CC(C)(C)CCOC1(CCC1)C 7a_100000759064_100000755188 [0,1,0,1,0,0|2,0,0]=4 13739 B12R1.1029 CC(C)(C)CNCC1(CCC1)C 2230a_100000743828_100000726658 [0,1,0,1,0,0|2,0,0]=4 13740 B12R1.1029 CC(C)(C)CNCC1(CCC1)C 270004a_100000706607_100011204126 [0,1,0,1,0,0|2,0,0]=4 13741 B12R1.1029 CC(C)(C)CSCC1(CCC1)C 62a_100000726658_100011219605 [0,1,0,1,0,0|2,0,0]=4 13742 B12R1.1029 CC(C)(C)CSCC1(CCC1)C 62a_100011219605_100000726658 [0,1,0,1,0,0|2,0,0]=4 13743 B12R1.1029 CC(C)(F)CNCC1(CCC1)C 2230a_100020643315_100000726658 [0,1,0,1,0,0|2,0,0]=4 13744 B12R1.1029 CC(C)(F)COCC1(CCC1)C 34a_100000716592_100000726658 [0,1,0,1,0,0|2,0,0]=4 13745 B12R1.1029 CC(C)(F)CSCC1(CCC1)C 62a_100000726658_100011997219 [0,1,0,1,0,0|2,0,0]=4 13746 B12R1.1029 CC(C)(F)CSCC1(CCC1)C 62a_100011997219_100000726658 [0,1,0,1,0,0|2,0,0]=4 13747 B12R1.1029 CC(C)(O)CCNC1(CCC1)C 2230a_100000692455_100000702414 [0,1,0,1,0,0|2,0,0]=4 13748 B12R1.1029 CC(C)(O)CCNC1(CCC1)C 34a_100000692455_100000702414 [0,1,0,1,0,0|2,0,0]=4 13749 B12R1.1029 CC(C)(O)CCOC1(CCC1)C 34a_100000759064_100000702414 [0,1,0,1,0,0|2,0,0]=4 13750 B12R1.1029 CC(C)(O)CCOC1(CCC1)C 7a_100000759064_100000702414 [0,1,0,1,0,0|2,0,0]=4 13751 B12R1.1029 CC(C)(O)CNCC1(CCC1)C 2230a_100000751335_100000726658 [0,1,0,1,0,0|2,0,0]=4 13752 B12R1.1029 CC(C)(O)CSCC1(CCC1)C 62a_100000726658_100000764493 [0,1,0,1,0,0|2,0,0]=4 13753 B12R1.1029 CC(C)(O)CSCC1(CCC1)C 62a_100000764493_100000726658 [0,1,0,1,0,0|2,0,0]=4 13754 B12R1.3183 CC(NCCC(C)(C)C)C1CC1 2230a_100000700016_100000755188 [0,1,0,1,0,0|2,0,0]=4 13755 B12R1.3183 CC(NCCC(C)(C)C)C1CC1 269862a_100000738805_100000210639 [0,1,0,1,0,0|2,0,0]=4 13756 B12R1.3183 CC(NCCC(C)(C)C)C1CC1 34a_100000700016_100000755188 [0,1,0,1,0,0|2,0,0]=4 13757 B12R1.3183 CC(NCCC(C)(C)C)C1CO1 270004a_100000738805_100000031964 [0,1,0,1,0,0|1,0,0]=3 13758 B12R1.3183 CC(NCCC(C)(C)F)C1CC1 269862a_100016253952_100000210639 [0,1,0,1,0,0|2,0,0]=4 13759 B12R1.3183 CC(NCCC(C)(C)F)C1CO1 270004a_100016253952_100000031964 [0,1,0,1,0,0|1,0,0]=3 13760 B12R1.3183 CC(NCCC(C)(C)O)C1CC1 2230a_100000700016_100000702414 [0,1,0,1,0,0|2,0,0]=4 13761 B12R1.3183 CC(NCCC(C)(C)O)C1CC1 269862a_100000707701_100000210639 [0,1,0,1,0,0|2,0,0]=4 13762 B12R1.3183 CC(NCCC(C)(C)O)C1CC1 34a_100000700016_100000702414 [0,1,0,1,0,0|2,0,0]=4 13763 B12R1.3183 CC(NCCC(C)(C)O)C1CO1 270004a_100000707701_100000031964 [0,1,0,1,0,0|1,0,0]=3 13764 B12R1.3183 CC(NCC[N+](C)(C)C)C1CO1 270004a_100000106457_100000031964 [0,1,0,1,0,0|2,0,0]=4 13765 B12R1.3183 CC(OCCC(C)(C)C)C1CC1 34a_100000744524_100000755188 [0,1,0,1,0,0|2,0,0]=4 13766 B12R1.3183 CC(OCCC(C)(C)C)C1CC1 7a_100000744524_100000755188 [0,1,0,1,0,0|2,0,0]=4 13767 B12R1.3183 CC(OCCC(C)(C)O)C1CC1 34a_100000744524_100000702414 [0,1,0,1,0,0|2,0,0]=4 13768 B12R1.3183 CC(OCCC(C)(C)O)C1CC1 7a_100000744524_100000702414 [0,1,0,1,0,0|2,0,0]=4 13769 B12R1.3183 CN(CCCC(C)(C)O)C1CC1 2230a_100000226674_100009888830 [0,1,0,1,0,0|2,0,0]=4 13770 B12R1.3183 CN(CCCC(C)(C)O)C1CC1 269982a_100000226674_100009888830 [0,1,0,1,0,0|2,0,0]=4 13771 B12R2.6 CC1CCC(C1)N2CCCC2 270004a_100000188435_100011215218 [0,0,0,2,0,0|2,0,0]=4 13772 B12R2.6 CC1CCC(C1)N2CCSC2 270004a_100011215254_100011215218 [0,0,0,2,0,0|1,1,0]=4 13773 B12R2.6 C[C@@H]1CCN(C1)C2CCCC2 2230a_100016987628_100000179811 [0,0,0,2,0,0|2,0,0]=4 13774 B12R2.6 C[C@@H]1CCN(C1)C2CCCC2 269982a_100016987628_100000179811 [0,0,0,2,0,0|2,0,0]=4 13775 B12R2.6 C[C@@H]1CCN(C1)C2CCCC2 270004a_100016987628_100000210133 [0,0,0,2,0,0|2,0,0]=4 13776 B12R2.6 C[C@@H]1CCN(C1)C2CCCC2 34a_100016987628_100000179811 [0,0,0,2,0,0|2,0,0]=4 13777 B12R2.6 C[C@@H]1CCN(C1)C2CCOC2 2230a_100016987628_100000731011 [0,0,0,2,0,0|1,0,0]=3 13778 B12R2.6 C[C@@H]1CCN(C1)C2CCOC2 269982a_100016987628_100000731011 [0,0,0,2,0,0|1,0,0]=3 13779 B12R2.6 C[C@@H]1CCN(C1)C2CCOC2 270004a_100016987628_100000752484 [0,0,0,2,0,0|1,0,0]=3 13780 B12R2.6 C[C@@H]1CCN(C1)C2CCOC2 34a_100016987628_100000690089 [0,0,0,2,0,0|1,0,0]=3 13781 B12R2.6 C[C@@H]1CCN(C1)C2CCSC2 270004a_100016987628_100000212027 [0,0,0,2,0,0|1,1,0]=4 13782 B12R2.6 F[C@H]1CCN(C1)C2CCOC2 2230a_100015203821_100000731011 [0,0,0,2,0,0|2,0,0]=4 13783 B12R2.6 F[C@H]1CCN(C1)C2CCOC2 269982a_100015203821_100000731011 [0,0,0,2,0,0|2,0,0]=4 13784 B12R2.6 F[C@H]1CCN(C1)C2CCOC2 270004a_100015203821_100000752484 [0,0,0,2,0,0|2,0,0]=4 13785 B12R2.6 F[C@H]1CCN(C1)C2CCOC2 34a_100015203821_100000690089 [0,0,0,2,0,0|2,0,0]=4 13786 B12R2.6 OC1CCN(C1)C2CCOC2 2230a_100011215560_100000731011 [0,0,0,2,0,0|2,0,0]=4 13787 B12R2.6 OC1CCN(C1)C2CCOC2 269982a_100011215560_100000731011 [0,0,0,2,0,0|2,0,0]=4 13788 B12R2.6 OC1CCN(C1)C2CCOC2 270004a_100011215560_100000752484 [0,0,0,2,0,0|2,0,0]=4 13789 B12R2.76 CC1CCC(C1)N2CC(C2)C 270004a_100000702820_100011215218 [0,0,0,2,0,0|2,0,0]=4 13790 B12R2.76 CC1CCC(C1)N2CC(C2)F 270004a_100000690557_100011215218 [0,0,0,2,0,0|2,0,0]=4 13791 B12R2.76 CN1CCC(C1)N2CC(C2)O 269982a_100000749847_200012183744 [0,0,0,2,0,0|2,0,0]=4 13792 B12R2.191 CN1C[C@@H]2C[C@H]1CN2CCO 2230a_100025763010_100000211926 [0,0,0,2,0,0|2,0,0]=4 13793 B12R2.191 CN1C[C@@H]2C[C@H]1CN2CCO 269982a_100025763010_100000211926 [0,0,0,2,0,0|2,0,0]=4 13794 B12R2.1485 CCCN(C)C1CCC2C1C2 270004a_100000747261_100000692480 [0,0,0,2,0,0|2,0,0]=4 13795 B12R2.1485 CN(CCO)C1CCC2C1C2 270004a_100000210263_100000692480 [0,0,0,2,0,0|1,0,0]=3 13796 B12R2.1488 CC(CCO)N1CC2CC2C1 2230a_100000741873_100009893172 [0,0,0,2,0,0|1,0,0]=3 13797 B12R2.1488 CC(CCO)N1CC2CC2C1 269982a_100000741873_100009893172 [0,0,0,2,0,0|1,0,0]=3 13798 B12R2.1488 CC(CCO)N1CC2CC2C1 34a_100000741873_100009893172 [0,0,0,2,0,0|1,0,0]=3 13799 B12R2.1488 CCCC(C)N1CC2CC2C1 2230a_100000741873_100000766640 [0,0,0,2,0,0|2,0,0]=4 13800 B12R2.1488 CCCC(C)N1CC2CC2C1 269982a_100000741873_100000766640 [0,0,0,2,0,0|2,0,0]=4 13801 B12R2.1488 CCCC(C)N1CC2CC2C1 270004a_100000741873_100000211909 [0,0,0,2,0,0|2,0,0]=4 13802 B12R2.1488 CCCC(C)N1CC2CC2C1 34a_100000741873_100000766640 [0,0,0,2,0,0|2,0,0]=4 13803 B12R2.1488 CCCN(C)C1CC2CC2C1 270004a_100000747261_100010340937 [0,0,0,2,0,0|2,0,0]=4 13804 B12R2.1488 CN(CCO)C1CC2CC2C1 270004a_100000210263_100010340937 [0,0,0,2,0,0|1,0,0]=3 13805 B12R2.2299 CC(C1CO1)N2CCC(C2)O 270004a_100011215560_100000031964 [0,0,0,2,0,0|2,0,0]=4 13806 B12R2.2299 CC(C1CO1)N2CC[C@@H](C2)F 270004a_100015203821_100000031964 [0,0,0,2,0,0|2,0,0]=4 13807 B12R2.2299 CC(C1CO1)N2CC[C@H](C2)C 270004a_100016987628_100000031964 [0,0,0,2,0,0|1,0,0]=3 13808 B12R2.2299 CC1CCC(C1)N(C)C2CC2 270004a_100000226674_100011215218 [0,0,0,2,0,0|2,0,0]=4 13809 B12R2.1377 CC(C)CNC1C2C1COC2 2230a_100000702821_100000210760 [0,0,0,2,0,0|1,0,0]=3 13810 B12R2.1377 CC(C)CNC1C2C1COC2 270004a_100000702821_100000210432 [0,0,0,2,0,0|1,0,0]=3 13811 B12R2.1377 CC(C)CNC1C2C1COC2 34a_100000702821_100000210624 [0,0,0,2,0,0|1,0,0]=3 13812 B12R2.1377 CC(C)OCC1C2C1CNC2 34a_100000045132_100000210206 [0,0,0,2,0,0|2,0,0]=4 13813 B12R2.1377 CC(O)CNC1C2C1COC2 2230a_100000702821_100011218427 [0,0,0,2,0,0|2,0,0]=4 13814 B12R2.1377 CC(O)CNC1C2C1COC2 34a_100000702821_100011218427 [0,0,0,2,0,0|2,0,0]=4 13815 B12R2.1377 C[C@@H](O)CNC1C2C1COC2 2230a_100000702821_100009817552 [0,0,0,2,0,0|2,0,0]=4 13816 B12R2.1377 C[C@@H](O)CNC1C2C1COC2 34a_100000702821_100009817552 [0,0,0,2,0,0|2,0,0]=4 13817 B12R2.4845 CC(C)N1CC2C(C2C1)CO 2230a_100000045132_100000210206 [0,0,0,2,0,0|1,0,0]=3 13818 B12R2.4845 CC(C)N1CC2C(C2C1)CO 269982a_100000045132_100000210206 [0,0,0,2,0,0|1,0,0]=3 13819 B12R2.4845 CC(C)N1CC2C(C2C1)CO 34a_100000045132_100000210206 [0,0,0,2,0,0|1,0,0]=3 13820 B12R2.252 CC(C)N1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000210206 [0,0,0,2,0,0|2,0,0]=4 13821 B12R2.252 CC(C)N1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000210206 [0,0,0,2,0,0|2,0,0]=4 13822 B12R2.252 CC(C)N1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000210206 [0,0,0,2,0,0|2,0,0]=4 13823 B12R2.466 CC1CCCC1OCC2CC2 34a_100011216460_100000742324 [0,0,0,2,0,0|2,0,0]=4 13824 B12R2.466 CC1CCCC1OCC2CC2 7a_100011216460_100000742324 [0,0,0,2,0,0|2,0,0]=4 13825 B12R2.466 C[C@@H]1CCCN1CCC2CC2 2230a_100015189458_100000694398 [0,0,0,2,0,0|2,0,0]=4 13826 B12R2.466 C[C@@H]1CCCN1CCC2CC2 269982a_100015189458_100000694398 [0,0,0,2,0,0|2,0,0]=4 13827 B12R2.466 C[C@@H]1CCCN1CCC2CC2 34a_100015189458_100000694398 [0,0,0,2,0,0|2,0,0]=4 13828 B12R2.466 C[C@H]1CCCN1CCC2CC2 2230a_100020605311_100000694398 [0,0,0,2,0,0|2,0,0]=4 13829 B12R2.466 C[C@H]1CCCN1CCC2CC2 269982a_100020605311_100000694398 [0,0,0,2,0,0|2,0,0]=4 13830 B12R2.5266 CC(C)CNC1CCC2C1C2 269862a_100000210953_100000692480 [0,0,0,2,0,0|2,0,0]=4 13831 B12R2.5266 CC(C)CNC1CCC2C1C2 270004a_100000210953_100000692480 [0,0,0,2,0,0|2,0,0]=4 13832 B12R2.5266 CC(C)COC1CCC2C1C2 34a_200012295571_100000210624 [0,0,0,2,0,0|2,0,0]=4 13833 B12R2.867 CN1CC2(C1)CN(C2)CCO 2230a_200016994142_100000211926 [0,0,0,2,0,0|2,0,0]=4 13834 B12R2.867 CN1CC2(C1)CN(C2)CCO 269982a_200016994142_100000211926 [0,0,0,2,0,0|2,0,0]=4 13835 B12R2.867 OCCN1CC2(C1)CC(C2)O 2230a_100016990924_100000211926 [0,0,0,2,0,0|2,0,0]=4 13836 B12R2.867 OCCN1CC2(C1)CC(C2)O 269982a_100016990924_100000211926 [0,0,0,2,0,0|2,0,0]=4 13837 B12R2.1369 CC(C)CC1CN(C1)C2CC2 269982a_214813039686_100000211595 [0,0,0,2,0,0|2,0,0]=4 13838 B12R2.1369 CC(C)CC1CN(C1)C2CC2 34a_214813039686_100000211595 [0,0,0,2,0,0|2,0,0]=4 13839 B12R2.3156 CC(C)CN1CC2(C1)CCC2 2230a_100000690493_100000210760 [0,0,0,2,0,0|2,0,0]=4 13840 B12R2.3156 CC(C)CN1CC2(C1)CCC2 269982a_100000690493_100000210624 [0,0,0,2,0,0|2,0,0]=4 13841 B12R2.3156 CC(C)CN1CC2(C1)CCC2 270004a_100000690493_100000210432 [0,0,0,2,0,0|2,0,0]=4 13842 B12R2.3156 CC(C)CN1CC2(C1)CCC2 34a_100000690493_100000210624 [0,0,0,2,0,0|2,0,0]=4 13843 B12R2.3156 CC(C)NC1CC2(C1)CCC2 2230a_100016994570_100000210206 [0,0,0,2,0,0|2,0,0]=4 13844 B12R2.251 CC(C)N1CCC(C1)C2CC2 2230a_100000695110_100000210206 [0,0,0,2,0,0|2,0,0]=4 13845 B12R2.251 CC(C)N1CCC(C1)C2CC2 269982a_100000695110_100000210206 [0,0,0,2,0,0|2,0,0]=4 13846 B12R2.251 CC(C)N1CCC(C1)C2CC2 34a_100000695110_100000210206 [0,0,0,2,0,0|2,0,0]=4 13847 B12R2.258 CCCN1CCC(C1)C2CC2 2230a_100000695110_100000210303 [0,0,0,2,0,0|2,0,0]=4 13848 B12R2.258 CCCN1CCC(C1)C2CC2 269982a_100000695110_100000210303 [0,0,0,2,0,0|2,0,0]=4 13849 B12R2.258 CCCN1CCC(C1)C2CC2 34a_100000695110_100000210303 [0,0,0,2,0,0|2,0,0]=4 13850 B12R2.258 FCCN1CCC(C1)C2CC2 2230a_100000695110_100011217306 [0,0,0,2,0,0|2,0,0]=4 13851 B12R2.258 FCCN1CCC(C1)C2CC2 269982a_100000695110_100011217306 [0,0,0,2,0,0|2,0,0]=4 13852 B12R2.258 FCCN1CCC(C1)C2CC2 34a_100000695110_100011217306 [0,0,0,2,0,0|2,0,0]=4 13853 B12R2.258 OCCC1CCN(C1)C2CC2 269982a_100016987287_100000211595 [0,0,0,2,0,0|1,0,0]=3 13854 B12R2.258 OCCC1CCN(C1)C2CC2 34a_100016987287_100000211595 [0,0,0,2,0,0|1,0,0]=3 13855 B12R2.258 OCCN1CCC(C1)C2CC2 2230a_100000695110_100000211926 [0,0,0,2,0,0|1,0,0]=3 13856 B12R2.258 OCCN1CCC(C1)C2CC2 269982a_100000695110_100000211926 [0,0,0,2,0,0|1,0,0]=3 13857 B12R2.258 OCCN1CCC(C1)C2CC2 34a_100000695110_100000211926 [0,0,0,2,0,0|1,0,0]=3 13858 B12R2.956 CC1(C2C1CN(C2)CCF)C 2230a_100000760622_100011217306 [0,0,0,2,0,0|2,0,0]=4 13859 B12R2.956 CC1(C2C1CN(C2)CCF)C 269982a_100000760622_100011217306 [0,0,0,2,0,0|2,0,0]=4 13860 B12R2.956 CC1(C2C1CN(C2)CCF)C 34a_100000760622_100011217306 [0,0,0,2,0,0|2,0,0]=4 13861 B12R2.956 CC1(C2C1CN(C2)CCO)C 2230a_100000760622_100000211926 [0,0,0,2,0,0|1,0,0]=3 13862 B12R2.956 CC1(C2C1CN(C2)CCO)C 269982a_100000760622_100000211926 [0,0,0,2,0,0|1,0,0]=3 13863 B12R2.956 CC1(C2C1CN(C2)CCO)C 34a_100000760622_100000211926 [0,0,0,2,0,0|1,0,0]=3 13864 B12R2.956 CCCN1CC2C(C1)C2(C)C 2230a_100000760622_100000210303 [0,0,0,2,0,0|2,0,0]=4 13865 B12R2.956 CCCN1CC2C(C1)C2(C)C 269982a_100000760622_100000210303 [0,0,0,2,0,0|2,0,0]=4 13866 B12R2.956 CCCN1CC2C(C1)C2(C)C 34a_100000760622_100000210303 [0,0,0,2,0,0|2,0,0]=4 13867 B12R2.3197 CC(C)N1CCC2(C1)CCC2 2230a_100000686913_100000210206 [0,0,0,2,0,0|2,0,0]=4 13868 B12R2.3197 CC(C)N1CCC2(C1)CCC2 269982a_100000686913_100000210206 [0,0,0,2,0,0|2,0,0]=4 13869 B12R2.3197 CC(C)N1CCC2(C1)CCC2 34a_100000686913_100000210206 [0,0,0,2,0,0|2,0,0]=4 13870 B12R2.469 CC1CCCN(CC1)C2CC2 269982a_100025706717_100000211595 [0,0,0,2,0,0|2,0,0]=4 13871 B12R2.469 CC1CCCN(CC1)C2CC2 34a_100025706717_100000211595 [0,0,0,2,0,0|2,0,0]=4 13872 B12R2.667 ClC1CC(C1)COCC2CC2 34a_100009874164_100000742324 [0,0,0,2,0,0|2,0,0]=4 13873 B12R2.667 FC1CC(C1)NCCC2CC2 2230a_100016993743_100000694398 [0,0,0,2,0,0|2,0,0]=4 13874 B12R2.667 OC1CC(C1)CNCC2CC2 2230a_100016992100_100000742324 [0,0,0,2,0,0|1,0,0]=3 13875 B12R2.667 OC1CC(C1)CNCC2CC2 269862a_100016992100_100000741477 [0,0,0,2,0,0|1,0,0]=3 13876 B12R2.667 OC1CC(C1)CNCC2CO2 2230a_100016992100_100011216344 [0,0,0,2,0,0|2,0,0]=4 13877 B12R2.667 OC1CN(C1)CCCC2CO2 269982a_100000749847_100000733510 [0,0,0,2,0,0|2,0,0]=4 13878 B12R2.667 O[C@H]1C[C@@H](C1)NCCC2CC2 2230a_100020629032_100000694398 [0,0,0,2,0,0|1,0,0]=3 13879 B12R2.667 O[C@H]1C[C@@H](C1)NCCC2CO2 2230a_100020629032_100000732470 [0,0,0,2,0,0|2,0,0]=4 13880 B12R2.1649 CC(C)CCNC12CC(C1)C2 269862a_100016993715_100000185833 [0,0,0,2,0,0|2,0,0]=4 13881 B12R2.1286 CC1CCCC(C1)NC2CC2 34a_100011194320_100000211595 [0,0,0,2,0,0|2,0,0]=4 13882 B12R2.1286 CC1CCCC(C1)OC2CC2 34a_100000211399_100000211595 [0,0,0,2,0,0|2,0,0]=4 13883 B12R2.1286 C[C@H]1CCCN(C1)CC2CC2 2230a_100000717927_100000742324 [0,0,0,2,0,0|2,0,0]=4 13884 B12R2.1286 C[C@H]1CCCN(C1)CC2CC2 269982a_100000717927_100000756562 [0,0,0,2,0,0|2,0,0]=4 13885 B12R2.1286 C[C@H]1CCCN(C1)CC2CC2 34a_100000717927_100000742324 [0,0,0,2,0,0|2,0,0]=4 13886 B12R2.1661 CC(C)CN1CC2CCC1C2 2230a_100000743476_100000210760 [0,0,0,2,0,0|2,0,0]=4 13887 B12R2.1661 CC(C)CN1CC2CCC1C2 269982a_100000743476_100000210624 [0,0,0,2,0,0|2,0,0]=4 13888 B12R2.1661 CC(C)CN1CC2CCC1C2 270004a_100000743476_100000210432 [0,0,0,2,0,0|2,0,0]=4 13889 B12R2.1661 CC(C)CN1CC2CCC1C2 34a_100000743476_100000210624 [0,0,0,2,0,0|2,0,0]=4 13890 B12R2.1661 CC(C)NC1CC2CCC1C2 2230a_100000758229_100000210206 [0,0,0,2,0,0|2,0,0]=4 13891 B12R2.1661 CC(C)NC1CC2CCC1C2 34a_100000758229_100000210206 [0,0,0,2,0,0|2,0,0]=4 13892 B12R2.1661 CC(C)NC1CC2CCC1C2 34a_100138425928_100000727232 [0,0,0,2,0,0|2,0,0]=4 13893 B12R2.1661 CC(C)OC1CC2CCC1C2 34a_100000211339_100000210206 [0,0,0,2,0,0|2,0,0]=4 13894 B12R2.1661 CC(C)OC1CC2CCC1C2 34a_100000212225_100000727232 [0,0,0,2,0,0|2,0,0]=4 13895 B12R2.1661 CC(C)SC1CC2CCC1C2 62a_100000210206_100000727232 [0,0,0,2,0,0|2,0,0]=4 13896 B12R2.1661 CC(C)SC1CC2CCC1C2 62a_100000727232_100000210206 [0,0,0,2,0,0|2,0,0]=4 13897 B12R2.1661 CN(C)CC1CC2CCC1C2 270004a_100102631434_100000697602 [0,0,0,2,0,0|2,0,0]=4 13898 B12R2.20 CC1CC1COC2CCCC2 34a_100000744939_100000179811 [0,0,0,2,0,0|2,0,0]=4 13899 B12R2.20 CC1CC1COC2CCCC2 7a_100000744939_100000179811 [0,0,0,2,0,0|2,0,0]=4 13900 B12R2.20 CC1CC1COC2CCOC2 34a_100000744939_100000690089 [0,0,0,2,0,0|1,0,0]=3 13901 B12R2.20 CC1CC1COC2CCOC2 7a_100000744939_100000731011 [0,0,0,2,0,0|1,0,0]=3 13902 B12R2.20 F[C@@H]1C[C@H]1NCC2CCOC2 2230a_100025746932_100000702531 [0,0,0,2,0,0|2,0,0]=4 13903 B12R2.20 F[C@@H]1C[C@H]1NCC2CCOC2 34a_100025746932_100011261433 [0,0,0,2,0,0|2,0,0]=4 13904 B12R2.20 F[C@H]1C[C@H]1NCC2CCOC2 2230a_100015190264_100000702531 [0,0,0,2,0,0|2,0,0]=4 13905 B12R2.136 CC1CN(C1)CC2CCCC2 2230a_100000702820_100000740388 [0,0,0,2,0,0|2,0,0]=4 13906 B12R2.136 CC1CN(C1)CC2CCCC2 269982a_100000702820_100000740388 [0,0,0,2,0,0|2,0,0]=4 13907 B12R2.136 CC1CN(C1)CC2CCCC2 34a_100000702820_100000740388 [0,0,0,2,0,0|2,0,0]=4 13908 B12R2.136 CC1CN(C1)CC2CCOC2 2230a_100000702820_100000702531 [0,0,0,2,0,0|1,0,0]=3 13909 B12R2.136 CC1CN(C1)CC2CCOC2 269982a_100000702820_100000702531 [0,0,0,2,0,0|1,0,0]=3 13910 B12R2.136 CC1CN(C1)CC2CCOC2 34a_100000702820_100011261433 [0,0,0,2,0,0|1,0,0]=3 13911 B12R2.136 CN1CC(C1)NC2CCOC2 270004a_100015196640_100000752484 [0,0,0,2,0,0|2,0,0]=4 13912 B12R2.136 FC1CC(C1)NC2CCOC2 2230a_100016993743_100000731011 [0,0,0,2,0,0|2,0,0]=4 13913 B12R2.136 FC1CC(C1)NC2CCOC2 270004a_100016993743_100000752484 [0,0,0,2,0,0|2,0,0]=4 13914 B12R2.136 FC1CN(C1)CC2CCOC2 2230a_100000690557_100000702531 [0,0,0,2,0,0|2,0,0]=4 13915 B12R2.136 FC1CN(C1)CC2CCOC2 269982a_100000690557_100000702531 [0,0,0,2,0,0|2,0,0]=4 13916 B12R2.136 FC1CN(C1)CC2CCOC2 34a_100000690557_100011261433 [0,0,0,2,0,0|2,0,0]=4 13917 B12R2.136 OC1CN(C1)CC2CCOC2 269982a_100000749847_100000702531 [0,0,0,2,0,0|2,0,0]=4 13918 B12R2.136 O[C@H]1C[C@@H](C1)NC2CCOC2 2230a_100020629032_100000731011 [0,0,0,2,0,0|2,0,0]=4 13919 B12R2.136 O[C@H]1C[C@@H](C1)NC2CCOC2 270004a_100020629032_100000752484 [0,0,0,2,0,0|2,0,0]=4 13920 B12R2.2383 C(CC1CC1)NC2CCOC2 270004a_100000764129_100000752484 [0,0,0,2,0,0|1,0,0]=3 13921 B12R2.2383 C(CC1CC1)NC2CCOC2 34a_100000764129_100000690089 [0,0,0,2,0,0|1,0,0]=3 13922 B12R2.2383 C(CC1CC1)NC2CCSC2 270004a_100000764129_100000212027 [0,0,0,2,0,0|1,1,0]=4 13923 B12R2.2383 C(CC1CC1)N[C@@H]2CCOC2 2230a_200015188469_100000694398 [0,0,0,2,0,0|1,0,0]=3 13924 B12R2.2383 C(CC1CC1)N[C@H]2CCOC2 2230a_100015188467_100000694398 [0,0,0,2,0,0|1,0,0]=3 13925 B12R2.2383 C(CC1CC1)N[C@H]2CCOC2 34a_100015188467_100000694398 [0,0,0,2,0,0|1,0,0]=3 13926 B12R2.2383 C(CC1CC1)OC2CCSC2 7a_100011232664_100000764125 [0,0,0,2,0,0|1,1,0]=4 13927 B12R2.2383 C(CC1CO1)N[C@@H]2CCOC2 2230a_200015188469_100000732470 [0,0,0,2,0,0|2,0,0]=4 13928 B12R2.2383 C(CC1CO1)N[C@H]2CCOC2 2230a_100015188467_100000732470 [0,0,0,2,0,0|2,0,0]=4 13929 B12R2.2383 C(CC1CO1)N[C@H]2CCOC2 34a_100015188467_100000732470 [0,0,0,2,0,0|2,0,0]=4 13930 B12R2.2383 C1CC(CN1)CCOC2CC2 34a_100016987287_100000211595 [0,0,0,2,0,0|2,0,0]=4 13931 B12R2.2383 C1CC(CN1)COCC2CC2 34a_100000748654_100000742324 [0,0,0,2,0,0|2,0,0]=4 13932 B12R2.2383 C1CC(CO1)CCOC2CC2 34a_100011879284_100000211595 [0,0,0,2,0,0|1,0,0]=3 13933 B12R2.2383 C1CC(CO1)CNCC2CC2 2230a_100000735609_100000702531 [0,0,0,2,0,0|1,0,0]=3 13934 B12R2.2383 C1CC(CO1)CNCC2CC2 2230a_100000737293_100000742324 [0,0,0,2,0,0|1,0,0]=3 13935 B12R2.2383 C1CC(CO1)CNCC2CC2 269862a_100000737293_100000741477 [0,0,0,2,0,0|1,0,0]=3 13936 B12R2.2383 C1CC(CO1)CNCC2CC2 34a_100000735609_100011261433 [0,0,0,2,0,0|1,0,0]=3 13937 B12R2.2383 C1CC(CO1)CNCC2CC2 34a_100000737293_100000742324 [0,0,0,2,0,0|1,0,0]=3 13938 B12R2.2383 C1CC(CO1)CNCC2CO2 2230a_100000737293_100011216344 [0,0,0,2,0,0|2,0,0]=4 13939 B12R2.2383 C1CC(CO1)CNCC2CO2 34a_100000737293_102125554688 [0,0,0,2,0,0|2,0,0]=4 13940 B12R2.2383 C1CC(CO1)COCC2CC2 34a_100000211283_100011261433 [0,0,0,2,0,0|1,0,0]=3 13941 B12R2.2383 C1CC(CO1)COCC2CC2 34a_100000740260_100000742324 [0,0,0,2,0,0|1,0,0]=3 13942 B12R2.2383 C1CC(CO1)COCC2CO2 34a_100000740260_102125554688 [0,0,0,2,0,0|2,0,0]=4 13943 B12R2.2383 C1CC(CO1)COC[C@@H]2CO2 34a_100000757423_100011261433 [0,0,0,2,0,0|2,0,0]=4 13944 B12R2.2383 C1CC(CO1)CSCC2CC2 62a_100000702531_100000742324 [0,0,0,2,0,0|1,0,0]=3 13945 B12R2.2383 C1CC(CO1)CSCC2CC2 62a_100000756562_100000702531 [0,0,0,2,0,0|1,0,0]=3 13946 B12R2.2383 C1CC(CO1)CSCC2CO2 62a_100000702531_102125554688 [0,0,0,2,0,0|2,0,0]=4 13947 B12R2.2383 C1CC(CO1)CSCC2CO2 62a_102125554688_100000702531 [0,0,0,2,0,0|2,0,0]=4 13948 B12R2.2383 C1CC(CO1)CSCC2CS2 62a_100000031435_100000702531 [0,0,0,2,0,0|2,0,0]=4 13949 B12R2.2383 C1CC(CO1)CSCC2CS2 62a_100000702531_100000031435 [0,0,0,2,0,0|2,0,0]=4 13950 B12R2.2383 C1CC(CO1)CSC[C@@H]2CO2 62a_100000702531_100000745022 [0,0,0,2,0,0|2,0,0]=4 13951 B12R2.2383 C1CC(CO1)CSC[C@@H]2CO2 62a_100000745022_100000702531 [0,0,0,2,0,0|2,0,0]=4 13952 B12R2.2383 C1CC(CO1)OCCC2CC2 34a_100000754188_100000690089 [0,0,0,2,0,0|1,0,0]=3 13953 B12R2.2383 C1CC(CO1)OCCC2CC2 7a_100000754188_100000731011 [0,0,0,2,0,0|1,0,0]=3 13954 B12R2.2383 C1CC(CO1)OCC[C@@H]2CO2 34a_100009820653_100000690089 [0,0,0,2,0,0|2,0,0]=4 13955 B12R2.2383 C1CC(CO1)SCCC2CC2 62a_100000764125_100000690089 [0,0,0,2,0,0|1,0,0]=3 13956 B12R2.2383 C1CC(CO1)SCCC2CO2 62a_100000732470_100000690089 [0,0,0,2,0,0|2,0,0]=4 13957 B12R2.2383 C1CCC(C1)CCNC2CC2 34a_100000212008_100000760354 [0,0,0,2,0,0|2,0,0]=4 13958 B12R2.2383 C1CCC(C1)CCNC2CC2 34a_100000739158_100000211595 [0,0,0,2,0,0|2,0,0]=4 13959 B12R2.2383 C1CCC(C1)CCOC2CC2 34a_100000749090_100000211595 [0,0,0,2,0,0|2,0,0]=4 13960 B12R2.2383 C1CCC(C1)CCSC2CC2 62a_100000760354_100000211595 [0,0,0,2,0,0|2,0,0]=4 13961 B12R2.2383 C1CCC(C1)CNCC2CC2 2230a_100000735609_100000740388 [0,0,0,2,0,0|2,0,0]=4 13962 B12R2.2383 C1CCC(C1)CNCC2CC2 2230a_100000737975_100000742324 [0,0,0,2,0,0|2,0,0]=4 13963 B12R2.2383 C1CCC(C1)CNCC2CC2 269862a_100000737975_100000741477 [0,0,0,2,0,0|2,0,0]=4 13964 B12R2.2383 C1CCC(C1)CNCC2CC2 34a_100000735609_100000740388 [0,0,0,2,0,0|2,0,0]=4 13965 B12R2.2383 C1CCC(C1)CNCC2CC2 34a_100000737975_100000742324 [0,0,0,2,0,0|2,0,0]=4 13966 B12R2.2383 C1CCC(C1)COCC2CC2 34a_100000211283_100000740388 [0,0,0,2,0,0|2,0,0]=4 13967 B12R2.2383 C1CCC(C1)COCC2CC2 34a_100000742336_100000742324 [0,0,0,2,0,0|2,0,0]=4 13968 B12R2.2383 C1CCC(C1)COCC2CC2 7a_100000742336_100000742324 [0,0,0,2,0,0|2,0,0]=4 13969 B12R2.2383 C1CCC(C1)CSCC2CC2 62a_100000740388_100000742324 [0,0,0,2,0,0|2,0,0]=4 13970 B12R2.2383 C1CCC(C1)CSCC2CC2 62a_100000756562_100000740388 [0,0,0,2,0,0|2,0,0]=4 13971 B12R2.2383 C1CCC(C1)NCCC2CC2 2230a_100000211070_100000694398 [0,0,0,2,0,0|2,0,0]=4 13972 B12R2.2383 C1CCC(C1)NCCC2CC2 270004a_100000764129_100000210133 [0,0,0,2,0,0|2,0,0]=4 13973 B12R2.2383 C1CCC(C1)NCCC2CC2 34a_100000211070_100000694398 [0,0,0,2,0,0|2,0,0]=4 13974 B12R2.2383 C1CCC(C1)NCCC2CC2 34a_100000764129_100000179811 [0,0,0,2,0,0|2,0,0]=4 13975 B12R2.2383 C1CCC(C1)OCCC2CC2 34a_100000210269_100000694398 [0,0,0,2,0,0|2,0,0]=4 13976 B12R2.2383 C1CCC(C1)OCCC2CC2 34a_100000754188_100000179811 [0,0,0,2,0,0|2,0,0]=4 13977 B12R2.2383 C1CCC(C1)OCCC2CC2 7a_100000210269_100000764125 [0,0,0,2,0,0|2,0,0]=4 13978 B12R2.2383 C1CCC(C1)OCCC2CC2 7a_100000754188_100000179811 [0,0,0,2,0,0|2,0,0]=4 13979 B12R2.2383 C1CCC(C1)SCCC2CC2 62a_100000764125_100000179811 [0,0,0,2,0,0|2,0,0]=4 13980 B12R2.2383 C1CCC(C1)SCCC2CC2 62a_100011217020_100000764125 [0,0,0,2,0,0|2,0,0]=4 13981 B12R2.2383 C1C[C@@H](CO1)OCCC2CC2 34a_100000717292_100000694398 [0,0,0,2,0,0|1,0,0]=3 13982 B12R2.2383 C1C[C@@H](CO1)OCCC2CO2 34a_100000717292_100000732470 [0,0,0,2,0,0|2,0,0]=4 13983 B12R2.2383 C1OCC(O1)COCC2CC2 34a_100011216627_100000742324 [0,0,0,2,0,0|2,0,0]=4 13984 B12R2.5121 CN1CCCC2(C1)CCOC2 2230a_100015204685_200000210301 [0,0,0,2,0,0|1,0,0]=3 13985 B12R2.5121 CN1CCCC2(C1)CCOC2 269982a_100015204685_200000210301 [0,0,0,2,0,0|1,0,0]=3 13986 B12R2.5121 CN1CCCC2(C1)CCOC2 34a_100015204685_200000210301 [0,0,0,2,0,0|1,0,0]=3 13987 B12R2.5121 [13CH3]N1CCCC2(C1)CCOC2 2230a_100015204685_200025704644 [0,0,0,2,0,0|1,0,0]=3 13988 B12R2.5121 [13CH3]N1CCCC2(C1)CCOC2 269982a_100015204685_200025704644 [0,0,0,2,0,0|1,0,0]=3 13989 B12R2.5121 [13CH3]N1CCCC2(C1)CCOC2 34a_100015204685_200025704644 [0,0,0,2,0,0|1,0,0]=3 13990 B12R2.665 CC(NC1CC(C1)F)C2CO2 270004a_100016993743_100000031964 [0,0,0,2,0,0|2,0,0]=4 13991 B12R2.665 CC(NC1CN(C1)C)C2CO2 270004a_100015196640_100000031964 [0,0,0,2,0,0|2,0,0]=4 13992 B12R2.665 CC(N[C@H]1C[C@@H](C1)O)C2CO2 270004a_100020629032_100000031964 [0,0,0,2,0,0|2,0,0]=4 13993 B12R2.1273 CC1CN(C1)CC2(CCC2)C 2230a_100000702820_100000726658 [0,0,0,2,0,0|2,0,0]=4 13994 B12R2.1273 CC1CN(C1)CC2(CCC2)C 269982a_100000702820_100000726658 [0,0,0,2,0,0|2,0,0]=4 13995 B12R2.1273 CC1CN(C1)CC2(CCC2)C 34a_100000702820_100000726658 [0,0,0,2,0,0|2,0,0]=4 13996 B12R2.1498 CCCC(C)NC12CC(C1)C2 270004a_100016993715_100000211909 [0,0,0,2,0,0|2,0,0]=4 13997 B12R2.3310 OCCN1CCOC2(C1)CC2 2230a_100016993663_100000211926 [0,0,0,2,0,0|2,0,0]=4 13998 B12R2.3310 OCCN1CCOC2(C1)CC2 269982a_100016993663_100000211926 [0,0,0,2,0,0|2,0,0]=4 13999 B12R2.4794 CC(NCCC1CC1)C2CC2 2230a_100000700016_100000694398 [0,0,0,2,0,0|2,0,0]=4 14000 B12R2.4794 CC(NCCC1CC1)C2CC2 269862a_100000764129_100000210639 [0,0,0,2,0,0|2,0,0]=4 14001 B12R2.4794 CC(NCCC1CC1)C2CC2 34a_100000700016_100000694398 [0,0,0,2,0,0|2,0,0]=4 14002 B12R2.4794 CC(NCCC1CC1)C2CO2 270004a_100000764129_100000031964 [0,0,0,2,0,0|1,0,0]=3 14003 B12R2.4794 CC(OCCC1CC1)C2CC2 34a_100000744524_100000694398 [0,0,0,2,0,0|2,0,0]=4 14004 B12R2.4794 CC(OCCC1CC1)C2CC2 7a_100000744524_100000764125 [0,0,0,2,0,0|2,0,0]=4 14005 B12R2.5216 CC1(CCC1)CNCC2CC2 2230a_100000706607_100000742324 [0,0,0,2,0,0|2,0,0]=4 14006 B12R2.5216 CC1(CCC1)CNCC2CC2 2230a_100000735609_100000726658 [0,0,0,2,0,0|2,0,0]=4 14007 B12R2.5216 CC1(CCC1)CNCC2CC2 269862a_100000706607_100000741477 [0,0,0,2,0,0|2,0,0]=4 14008 B12R2.5216 CC1(CCC1)CNCC2CC2 34a_100000735609_100000726658 [0,0,0,2,0,0|2,0,0]=4 14009 B12R2.5216 CC1(CCC1)COCC2CC2 34a_100000211283_100000726658 [0,0,0,2,0,0|2,0,0]=4 14010 B12R2.5216 CC1(CCC1)CSCC2CC2 62a_100000726658_100000742324 [0,0,0,2,0,0|2,0,0]=4 14011 B12R2.5216 CC1(CCC1)CSCC2CC2 62a_100000756562_100000726658 [0,0,0,2,0,0|2,0,0]=4 14012 B12R2.5216 CC1(CCC1)NCCC2CC2 2230a_100000692455_100000694398 [0,0,0,2,0,0|2,0,0]=4 14013 B12R2.5216 CC1(CCC1)NCCC2CC2 34a_100000692455_100000694398 [0,0,0,2,0,0|2,0,0]=4 14014 B12R2.5216 CC1(CCC1)OCCC2CC2 34a_100000759064_100000694398 [0,0,0,2,0,0|2,0,0]=4 14015 B12R2.5216 CC1(CCC1)OCCC2CC2 7a_100000759064_100000764125 [0,0,0,2,0,0|2,0,0]=4 14016 B12R2.5607 CC1(CCCN(C1)C2CC2)C 269982a_100000716857_100000211595 [0,0,0,2,0,0|2,0,0]=4 14017 B12R2.5607 CC1(CCCN(C1)C2CC2)C 34a_100000716857_100000211595 [0,0,0,2,0,0|2,0,0]=4 14018 B8R0.9 CC(Br)COC(C)CO 34a_100012180447_100012180447 [1,0,0,0,1,0|2,0,0]=4 14019 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [1,0,0,0,1,0|1,0,1]=4 14020 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [1,0,0,0,1,0|1,0,0]=3 14021 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [1,0,0,0,1,0|1,0,0]=3 14022 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [1,0,0,0,1,0|1,0,0]=3 14023 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [1,0,0,0,1,0|1,0,0]=3 14024 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [1,0,0,0,1,0|1,0,0]=3 14025 B8R0.9 CC(C)CCN(C)CF 269982a_100000742789_100015361967 [1,0,0,0,1,0|2,0,0]=4 14026 B8R0.9 CC(C)CNC(C)CO 2230a_100000210953_100012180447 [1,0,0,0,1,0|1,0,0]=3 14027 B8R0.9 CC(C)CNC(C)CO 34a_100000210953_100012180447 [1,0,0,0,1,0|1,0,0]=3 14028 B8R0.9 CC(C)CN[C@H](C)CF 270004a_100102880703_100000210432 [1,0,0,0,1,0|2,0,0]=4 14029 B8R0.9 CC(C)CN[C@H](C)CO 2230a_100000737577_100000210760 [1,0,0,0,1,0|1,0,0]=3 14030 B8R0.9 CC(C)CN[C@H](C)CO 270004a_100000737577_100000210432 [1,0,0,0,1,0|1,0,0]=3 14031 B8R0.9 CC(C)COC(C)CF 34a_100016041109_100000210624 [1,0,0,0,1,0|2,0,0]=4 14032 B8R0.9 CC(C)COC(C)CF 7a_100016041109_100000210760 [1,0,0,0,1,0|2,0,0]=4 14033 B8R0.9 CC(C)COC(C)CN 34a_100000210904_100000210624 [1,0,0,0,1,0|2,0,0]=4 14034 B8R0.9 CC(C)COC(C)CO 34a_100000210257_100012180447 [1,0,0,0,1,0|1,0,0]=3 14035 B8R0.9 CC(C)CSC(C)CO 62a_100012180447_100000210760 [1,0,0,0,1,0|1,0,0]=3 14036 B8R0.9 CC(C)CS[C@H](C)CO 62a_100000210624_100016084084 [1,0,0,0,1,0|1,0,0]=3 14037 B8R0.9 CC(C)CS[C@H](C)CO 62a_100016084084_100000210760 [1,0,0,0,1,0|1,0,0]=3 14038 B8R0.9 CC(C)NCC(O)CO 2230a_100138425928_100011219619 [1,0,0,0,1,0|2,0,0]=4 14039 B8R0.9 CC(C)NCC(O)CO 34a_100138425928_100011219619 [1,0,0,0,1,0|2,0,0]=4 14040 B8R0.9 CC(C)NC[C@@H](C)CO 2230a_100138425928_100000059175 [1,0,0,0,1,0|1,0,0]=3 14041 B8R0.9 CC(C)NC[C@@H](C)CO 34a_100138425928_100000059175 [1,0,0,0,1,0|1,0,0]=3 14042 B8R0.9 CC(C)NC[C@@H](F)CO 34a_100015665980_100000210206 [1,0,0,0,1,0|2,0,0]=4 14043 B8R0.9 CC(C)NC[C@@H](O)CO 2230a_100138425928_100009815848 [1,0,0,0,1,0|2,0,0]=4 14044 B8R0.9 CC(C)NC[C@@H](O)CO 34a_100138425928_100009815848 [1,0,0,0,1,0|2,0,0]=4 14045 B8R0.9 CC(C)NC[C@H](O)CO 2230a_100020644852_100000210206 [1,0,0,0,1,0|2,0,0]=4 14046 B8R0.9 CC(C)OCC(O)CO 34a_100000212225_100011219619 [1,0,0,0,1,0|2,0,0]=4 14047 B8R0.9 CC(C)OC[C@@H](C)CO 34a_100000212225_100000059175 [1,0,0,0,1,0|1,0,0]=3 14048 B8R0.9 CC(C)OC[C@@H](O)CO 34a_100000212225_100009815848 [1,0,0,0,1,0|2,0,0]=4 14049 B8R0.9 CC(C)SCC(O)CO 62a_100000210206_100011219619 [1,0,0,0,1,0|2,0,0]=4 14050 B8R0.9 CC(C)SCC(O)CO 62a_100011219619_100000210206 [1,0,0,0,1,0|2,0,0]=4 14051 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000059175_100000210206 [1,0,0,0,1,0|1,0,0]=3 14052 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000210206_100000059175 [1,0,0,0,1,0|1,0,0]=3 14053 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100000210206_100009815848 [1,0,0,0,1,0|2,0,0]=4 14054 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100009815848_100000210206 [1,0,0,0,1,0|2,0,0]=4 14055 B8R0.9 CC(CN)COC(C)C 34a_100000744482_100000210206 [1,0,0,0,1,0|2,0,0]=4 14056 B8R0.9 CC(CO)CNC(C)C 34a_100000744482_100000210206 [1,0,0,0,1,0|1,0,0]=3 14057 B8R0.9 CC(CO)OC[C@@H](C)Cl 34a_100016084084_100012180447 [1,0,0,0,1,0|2,0,0]=4 14058 B8R0.9 CC(CO)OC[C@@H](C)N 34a_100000737577_100012180447 [1,0,0,0,1,0|2,0,0]=4 14059 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [1,0,0,0,1,0|2,0,0]=4 14060 B8R0.9 CC(F)COC(C)CO 34a_100015925927_100012180447 [1,0,0,0,1,0|2,0,0]=4 14061 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [1,0,0,0,1,0|2,0,0]=4 14062 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [1,0,0,0,1,0|2,0,0]=4 14063 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [1,0,0,0,1,0|2,0,0]=4 14064 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [1,0,0,0,1,0|2,0,0]=4 14065 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [1,0,0,0,1,0|2,0,0]=4 14066 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [1,0,0,0,1,0|2,0,0]=4 14067 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,0,0,0,1,0|1,0,1]=4 14068 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,0,0,0,1,0|1,0,1]=4 14069 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,0,0,0,1,0|1,0,1]=4 14070 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,0,0,0,1,0|1,0,1]=4 14071 B8R0.9 CCC(C)CNC(C)C 2230a_100020588543_100000210206 [1,0,0,0,1,0|1,0,0]=3 14072 B8R0.9 CCC(C)CNC(C)C 2230a_100138425928_100000748023 [1,0,0,0,1,0|1,0,0]=3 14073 B8R0.9 CCC(C)CNC(C)C 34a_100138425928_100000748023 [1,0,0,0,1,0|1,0,0]=3 14074 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [1,0,0,0,1,0|1,0,0]=3 14075 B8R0.9 CCC(C)CSC(C)C 62a_100000210206_100000748023 [1,0,0,0,1,0|1,0,0]=3 14076 B8R0.9 CCC(C)CSC(C)C 62a_100000748023_100000210206 [1,0,0,0,1,0|1,0,0]=3 14077 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [1,0,0,0,1,0|1,0,0]=3 14078 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [1,0,0,0,1,0|1,0,0]=3 14079 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [1,0,0,0,1,0|1,0,0]=3 14080 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [1,0,0,0,1,0|1,0,0]=3 14081 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [1,0,0,0,1,0|2,0,0]=4 14082 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [1,0,0,0,1,0|2,0,0]=4 14083 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [1,0,0,0,1,0|2,0,0]=4 14084 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [1,0,0,0,1,0|2,0,0]=4 14085 B8R0.9 CCC(C)OCC(C)Br 34a_100012180447_100011215416 [1,0,0,0,1,0|2,0,0]=4 14086 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [1,0,0,0,1,0|1,0,0]=3 14087 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [1,0,0,0,1,0|1,0,0]=3 14088 B8R0.9 CCC(C)OCC(C)F 34a_100015925927_100011215416 [1,0,0,0,1,0|2,0,0]=4 14089 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [1,0,0,0,1,0|2,0,0]=4 14090 B8R0.9 CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215416 [1,0,0,0,1,0|2,0,0]=4 14091 B8R0.9 CCC(C)OC[C@@H](C)N 34a_100000737577_100011215416 [1,0,0,0,1,0|2,0,0]=4 14092 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [1,0,0,0,1,0|2,0,0]=4 14093 B8R0.9 CCC(C)SCC(C)C 62a_100000210624_100000758301 [1,0,0,0,1,0|1,0,0]=3 14094 B8R0.9 CCC(C)SCC(C)C 62a_100000758301_100000210760 [1,0,0,0,1,0|1,0,0]=3 14095 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [1,0,0,0,1,0|2,0,0]=4 14096 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [1,0,0,0,1,0|2,0,0]=4 14097 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [1,0,0,0,1,0|2,0,0]=4 14098 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [1,0,0,0,1,0|2,0,0]=4 14099 B8R0.9 CCC(O)CNC(C)C 2230a_100011218483_100000210206 [1,0,0,0,1,0|2,0,0]=4 14100 B8R0.9 CCC(O)CNC(C)C 2230a_100138425928_100011218378 [1,0,0,0,1,0|2,0,0]=4 14101 B8R0.9 CCC(O)CNC(C)C 34a_100138425928_100011218378 [1,0,0,0,1,0|2,0,0]=4 14102 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [1,0,0,0,1,0|2,0,0]=4 14103 B8R0.9 CCC(O)CSC(C)C 62a_100000210206_100011218378 [1,0,0,0,1,0|2,0,0]=4 14104 B8R0.9 CCC(O)CSC(C)C 62a_100011218378_100000210206 [1,0,0,0,1,0|2,0,0]=4 14105 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [1,0,0,0,1,0|1,0,0]=3 14106 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [1,0,0,0,1,0|1,0,0]=3 14107 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [1,0,0,0,1,0|1,0,0]=3 14108 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [1,0,0,0,1,0|1,0,0]=3 14109 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [1,0,0,0,1,0|1,0,0]=3 14110 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [1,0,0,0,1,0|1,0,0]=3 14111 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [1,0,0,0,1,0|2,0,0]=4 14112 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [1,0,0,0,1,0|2,0,0]=4 14113 B8R0.9 CCN(C)CCN(C)C 269982a_100000225618_100000204670 [1,0,0,0,1,0|2,0,0]=4 14114 B8R0.9 CCN(C)CCN(C)C 269982a_100000225621_100000755713 [1,0,0,0,1,0|2,0,0]=4 14115 B8R0.9 CCN(C)CCN(C)C 269982a_100000225870_200000210301 [1,0,0,0,1,0|2,0,0]=4 14116 B8R0.9 CCN(C)COC(C)C 2230a_100000225621_100000709892 [1,0,0,0,1,0|2,0,0]=4 14117 B8R0.9 CCN(C)COC(C)C 269982a_100000225621_100000709892 [1,0,0,0,1,0|2,0,0]=4 14118 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [1,0,0,0,1,0|1,0,0]=3 14119 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [1,0,0,0,1,0|1,0,0]=3 14120 B8R0.9 CCN([13CH3])CCN(C)C 269982a_100000225870_200025704644 [1,0,0,0,1,0|2,0,0]=4 14121 B8R0.9 CC[C@H](C)CNC(C)C 2230a_100138425928_100009816398 [1,0,0,0,1,0|1,0,0]=3 14122 B8R0.9 CC[C@H](C)CNC(C)C 34a_100138425928_100009816398 [1,0,0,0,1,0|1,0,0]=3 14123 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [1,0,0,0,1,0|1,0,0]=3 14124 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [1,0,0,0,1,0|1,0,0]=3 14125 B8R0.9 CC[C@H](C)CSC(C)C 62a_100000210206_100009816398 [1,0,0,0,1,0|1,0,0]=3 14126 B8R0.9 CC[C@H](C)CSC(C)C 62a_100009816398_100000210206 [1,0,0,0,1,0|1,0,0]=3 14127 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [1,0,0,0,1,0|1,0,0]=3 14128 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [1,0,0,0,1,0|1,0,0]=3 14129 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [1,0,0,0,1,0|1,0,0]=3 14130 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [1,0,0,0,1,0|1,0,0]=3 14131 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [1,0,0,0,1,0|1,0,0]=3 14132 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [1,0,0,0,1,0|1,0,0]=3 14133 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [1,0,0,0,1,0|1,0,0]=3 14134 B8R0.9 COC(C)COC(C)C 34a_100000690652_100000210206 [1,0,0,0,1,0|2,0,0]=4 14135 B8R0.9 COC(C)SCC(C)C 62a_100000210624_100009879195 [1,0,0,0,1,0|2,0,0]=4 14136 B8R0.9 COC(C)SCC(C)C 62a_100009879195_100000210760 [1,0,0,0,1,0|2,0,0]=4 14137 B8R0.9 CO[C@H](C)CNC(C)C 2230a_100020591295_100000210206 [1,0,0,0,1,0|2,0,0]=4 14138 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [1,0,0,0,1,0|1,0,0]=3 14139 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [1,0,0,0,1,0|1,0,0]=3 14140 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [1,0,0,0,1,0|2,0,0]=4 14141 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [1,0,0,0,1,0|2,0,0]=4 14142 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [1,0,0,0,1,0|2,0,0]=4 14143 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,0,0,0,2,0|1,0,1]=4 14144 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,0,0,0,2,0|1,0,1]=4 14145 B8R0.5 CC(C)CC(C)OCF 34a_100000211805_100015361967 [0,0,0,0,2,0|2,0,0]=4 14146 B8R0.5 CC(C)CC(C)OCF 7a_100000211805_100015361967 [0,0,0,0,2,0|2,0,0]=4 14147 B8R0.5 CC(C)CC(C)SCF 62a_100000731052_100015361967 [0,0,0,0,2,0|2,0,0]=4 14148 B8R0.5 CC(C)CC(C)SCF 62a_100015361967_100000731052 [0,0,0,0,2,0|2,0,0]=4 14149 B8R0.5 CC(C)CN(C)CCF 2230a_100000747067_100011217306 [0,0,0,0,2,0|2,0,0]=4 14150 B8R0.5 CC(C)CN(C)CCF 269982a_100000747067_100011217306 [0,0,0,0,2,0|2,0,0]=4 14151 B8R0.5 CC(C)CN(C)CCO 2230a_100000210263_100000210760 [0,0,0,0,2,0|1,0,0]=3 14152 B8R0.5 CC(C)CN(C)CCO 2230a_100000747067_100000211926 [0,0,0,0,2,0|1,0,0]=3 14153 B8R0.5 CC(C)CN(C)CCO 2230a_100015185251_200000210301 [0,0,0,0,2,0|1,0,0]=3 14154 B8R0.5 CC(C)CN(C)CCO 269982a_100000210263_100000210624 [0,0,0,0,2,0|1,0,0]=3 14155 B8R0.5 CC(C)CN(C)CCO 269982a_100000747067_100000211926 [0,0,0,0,2,0|1,0,0]=3 14156 B8R0.5 CC(C)CN(C)CCO 269982a_100015185251_200000210301 [0,0,0,0,2,0|1,0,0]=3 14157 B8R0.5 CC(C)CN(C)CCO 270004a_100000210263_100000210432 [0,0,0,0,2,0|1,0,0]=3 14158 B8R0.5 CC(C)CN([13CH3])CCO 2230a_100015185251_200025704644 [0,0,0,0,2,0|1,0,0]=3 14159 B8R0.5 CC(C)CN([13CH3])CCO 269982a_100015185251_200025704644 [0,0,0,0,2,0|1,0,0]=3 14160 B8R0.5 CC(C)NC(C)CCO 2230a_100138425928_100009893172 [0,0,0,0,2,0|1,0,0]=3 14161 B8R0.5 CC(C)NC(C)CCO 34a_100138425928_100009893172 [0,0,0,0,2,0|1,0,0]=3 14162 B8R0.5 CC(C)N[C@H](C)CCO 2230a_100000706166_100000210206 [0,0,0,0,2,0|1,0,0]=3 14163 B8R0.5 CC(C)N[C@H](C)CCO 34a_100000706166_100000210206 [0,0,0,0,2,0|1,0,0]=3 14164 B8R0.5 CC(C)OC(C)CCBr 34a_100012276601_100000210206 [0,0,0,0,2,0|2,0,0]=4 14165 B8R0.5 CC(C)OC(C)CCO 34a_100000212225_100009893172 [0,0,0,0,2,0|1,0,0]=3 14166 B8R0.5 CC(C)SC(C)CCO 62a_100000210206_100009893172 [0,0,0,0,2,0|1,0,0]=3 14167 B8R0.5 CC(C)SC(C)CCO 62a_100009893172_100000210206 [0,0,0,0,2,0|1,0,0]=3 14168 B8R0.5 CC(O)CN(C)CCO 2230a_100000210263_100011218427 [0,0,0,0,2,0|2,0,0]=4 14169 B8R0.5 CC(O)CN(C)CCO 2230a_100000227577_100000211926 [0,0,0,0,2,0|2,0,0]=4 14170 B8R0.5 CC(O)CN(C)CCO 2230a_100000731851_200000210301 [0,0,0,0,2,0|2,0,0]=4 14171 B8R0.5 CC(O)CN(C)CCO 269982a_100000210263_100011218427 [0,0,0,0,2,0|2,0,0]=4 14172 B8R0.5 CC(O)CN(C)CCO 269982a_100000227577_100000211926 [0,0,0,0,2,0|2,0,0]=4 14173 B8R0.5 CC(O)CN(C)CCO 269982a_100000731851_200000210301 [0,0,0,0,2,0|2,0,0]=4 14174 B8R0.5 CC(O)CN([13CH3])CCO 2230a_100000731851_200025704644 [0,0,0,0,2,0|2,0,0]=4 14175 B8R0.5 CC(O)CN([13CH3])CCO 269982a_100000731851_200025704644 [0,0,0,0,2,0|2,0,0]=4 14176 B8R0.5 CCCC(C)CN(C)C 2230a_100102631434_100011216630 [0,0,0,0,2,0|2,0,0]=4 14177 B8R0.5 CCCC(C)CN(C)C 269982a_100102631434_100011216630 [0,0,0,0,2,0|2,0,0]=4 14178 B8R0.5 CCCC(C)CN(C)C 270004a_100102631434_100000243154 [0,0,0,0,2,0|2,0,0]=4 14179 B8R0.5 CCCC(C)NC(C)C 2230a_100000741246_100000210206 [0,0,0,0,2,0|2,0,0]=4 14180 B8R0.5 CCCC(C)NC(C)C 2230a_100138425928_100000766640 [0,0,0,0,2,0|2,0,0]=4 14181 B8R0.5 CCCC(C)NC(C)C 34a_100138425928_100000766640 [0,0,0,0,2,0|2,0,0]=4 14182 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [0,0,0,0,2,0|2,0,0]=4 14183 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [0,0,0,0,2,0|2,0,0]=4 14184 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [0,0,0,0,2,0|2,0,0]=4 14185 B8R0.5 CCCC(C)SC(C)C 62a_100000210206_100000766640 [0,0,0,0,2,0|2,0,0]=4 14186 B8R0.5 CCCC(C)SC(C)C 62a_100000766640_100000210206 [0,0,0,0,2,0|2,0,0]=4 14187 B8R0.5 CCCN(C)CC(C)C 2230a_100000747067_100000210303 [0,0,0,0,2,0|2,0,0]=4 14188 B8R0.5 CCCN(C)CC(C)C 2230a_100000747261_100000210760 [0,0,0,0,2,0|2,0,0]=4 14189 B8R0.5 CCCN(C)CC(C)C 269982a_100000747067_100000210303 [0,0,0,0,2,0|2,0,0]=4 14190 B8R0.5 CCCN(C)CC(C)C 269982a_100000747261_100000210624 [0,0,0,0,2,0|2,0,0]=4 14191 B8R0.5 CCCN(C)CC(C)C 270004a_100000747261_100000210432 [0,0,0,0,2,0|2,0,0]=4 14192 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [0,0,0,0,2,0|2,0,0]=4 14193 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [0,0,0,0,2,0|2,0,0]=4 14194 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,0,0,0,2,0|2,0,0]=4 14195 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,0,0,0,2,0|2,0,0]=4 14196 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,0,0,0,2,0|2,0,0]=4 14197 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [0,0,0,0,2,0|2,0,0]=4 14198 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [0,0,0,0,2,0|2,0,0]=4 14199 B8R0.5 C[C@@H](O)CN(C)CCO 2230a_100000210263_100009817552 [0,0,0,0,2,0|2,0,0]=4 14200 B8R0.5 C[C@@H](O)CN(C)CCO 269982a_100000210263_100009817552 [0,0,0,0,2,0|2,0,0]=4 14201 B12R0.277 C#CCC(C)OCCCCC(C)C 34a_100000685586_100011216152 [0,0,0,0,0,2|1,0,1]=4 14202 B12R0.277 C#CCC(C)OCCCCC(C)C 7a_100000685586_100011216152 [0,0,0,0,0,2|1,0,1]=4 14203 B12R0.277 C=CCC(C)COCCCC(C)C 34a_100009832082_100011214892 [0,0,0,0,0,2|1,0,1]=4 14204 B12R0.277 C=CCC(C)COCCCC(C)C 7a_100009832082_100011214892 [0,0,0,0,0,2|1,0,1]=4 14205 B12R0.277 C=CCC(C)COCCOC(C)C 34a_100009832082_100000211751 [0,0,0,0,0,2|1,0,1]=4 14206 B12R0.277 C=CCC(C)COCCOC(C)C 7a_100009832082_100000211751 [0,0,0,0,0,2|1,0,1]=4 14207 B12R0.277 C=CCC(C)COCCSC(C)C 34a_100009832082_100000730970 [0,0,0,0,0,2|1,0,1]=4 14208 B12R0.277 C=CCC(C)COCCSC(C)C 7a_100009832082_100000730970 [0,0,0,0,0,2|1,0,1]=4 14209 B12R0.277 C=CC[C@@H](C)OCCCCC(C)C 34a_100000731007_100011216152 [0,0,0,0,0,2|1,0,1]=4 14210 B12R0.277 C=CC[C@@H](C)OCCCCC(C)C 7a_100000731007_100011216152 [0,0,0,0,0,2|1,0,1]=4 14211 B12R0.277 CC(=CCCOCC(C)CCN)C 34a_106354213184_100011217483 [0,0,0,0,0,2|1,0,1]=4 14212 B12R0.277 CC(=O)CCCCN[C@H](C)CCO 34a_100000706166_100009817362 [0,0,0,0,0,2|1,0,1]=4 14213 B12R0.277 CC(=O)CCCCSC(C)CCO 62a_100000735457_100009893172 [0,0,0,0,0,2|1,0,1]=4 14214 B12R0.277 CC(=O)CCCCSC(C)CCO 62a_100009893172_100000735457 [0,0,0,0,0,2|1,0,1]=4 14215 B12R0.277 CC(=O)NCCCNC(C)CCO 34a_100000736810_100009893172 [0,0,0,0,0,2|1,0,1]=4 14216 B12R0.277 CC(=O)NCCCOC(C)CCO 34a_100000752032_100009893172 [0,0,0,0,0,2|1,0,1]=4 14217 B12R0.277 CC(=O)OCCCN[C@H](C)CCO 34a_100000706166_100000042594 [0,0,0,0,0,2|1,0,1]=4 14218 B12R0.277 CC(=O)OCCCSC(C)CCO 62a_100000042594_100009893172 [0,0,0,0,0,2|1,0,1]=4 14219 B12R0.277 CC(=O)OCCCSC(C)CCO 62a_100009893172_100000042594 [0,0,0,0,0,2|1,0,1]=4 14220 B12R0.277 CC(=O)SCCCN[C@H](C)CCO 2230a_100000706166_100000038929 [0,0,0,0,0,2|1,0,1]=4 14221 B12R0.277 CC(=O)SCCCN[C@H](C)CCO 34a_100000706166_100000038929 [0,0,0,0,0,2|1,0,1]=4 14222 B12R0.277 CC(=O)SCCCSC(C)CCO 62a_100000038929_100009893172 [0,0,0,0,0,2|1,0,1]=4 14223 B12R0.277 CC(=O)SCCCSC(C)CCO 62a_100009893172_100000038929 [0,0,0,0,0,2|1,0,1]=4 14224 B12R0.277 CC(=S)OCCCN[C@H](C)CCO 2230a_100000706166_200135323944 [0,0,0,0,0,2|1,0,1]=4 14225 B12R0.277 CC(=S)OCCCN[C@H](C)CCO 34a_100000706166_200135323944 [0,0,0,0,0,2|1,0,1]=4 14226 B12R0.277 CC(=S)OCCCSC(C)CCO 62a_100009893172_200135323944 [0,0,0,0,0,2|1,0,1]=4 14227 B12R0.277 CC(=S)OCCCSC(C)CCO 62a_200135323944_100009893172 [0,0,0,0,0,2|1,0,1]=4 14228 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100000766313_100000211926 [0,0,0,0,0,2|1,0,1]=4 14229 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100011216618_100000210682 [0,0,0,0,0,2|1,0,1]=4 14230 B12R0.277 CC(C)CCCCCN(C)CCO 2230a_100000210263_100000210682 [0,0,0,0,0,2|1,0,0]=3 14231 B12R0.277 CC(C)CCCCCN(C)CCO 269982a_100000210263_100000210682 [0,0,0,0,0,2|1,0,0]=3 14232 B12R0.277 CC(C)CCCCN[C@@H](C)CC#N 2230a_100016994482_100011216152 [0,0,0,0,0,2|1,0,1]=4 14233 B12R0.277 CC(C)CCCCN[C@H](C)CCO 2230a_100000706166_100011216152 [0,0,0,0,0,2|0,0,0]=2 14234 B12R0.277 CC(C)CCCCN[C@H](C)CCO 34a_100000706166_100011216152 [0,0,0,0,0,2|0,0,0]=2 14235 B12R0.277 CC(C)CCCCOC(C)CC#N 7a_100011214890_100009813641 [0,0,0,0,0,2|1,0,1]=4 14236 B12R0.277 CC(C)CCCCOC(C)CCBr 34a_100012276601_100011216152 [0,0,0,0,0,2|1,0,0]=3 14237 B12R0.277 CC(C)CCCCOC(C)CCO 34a_100011214890_100009893172 [0,0,0,0,0,2|0,0,0]=2 14238 B12R0.277 CC(C)CCCCOC(C)CCO 7a_100011214890_100009893172 [0,0,0,0,0,2|0,0,0]=2 14239 B12R0.277 CC(C)CCCCSC(C)CC#N 62a_100009813641_100011216152 [0,0,0,0,0,2|1,0,1]=4 14240 B12R0.277 CC(C)CCCCSC(C)CC#N 62a_100011216152_100009813641 [0,0,0,0,0,2|1,0,1]=4 14241 B12R0.277 CC(C)CCCCSC(C)CCO 62a_100009893172_100011216152 [0,0,0,0,0,2|0,0,0]=2 14242 B12R0.277 CC(C)CCCCSC(C)CCO 62a_100011216152_100009893172 [0,0,0,0,0,2|0,0,0]=2 14243 B12R0.277 CC(C)CCCOCC(C)CCN 34a_106354213184_100011214892 [0,0,0,0,0,2|1,0,0]=3 14244 B12R0.277 CC(C)CNCCOC(C)CCO 34a_100015185251_100009893172 [0,0,0,0,0,2|0,0,0]=2 14245 B12R0.277 CC(C)COCCOC(C)CC#N 7a_100000703358_100009813641 [0,0,0,0,0,2|1,0,1]=4 14246 B12R0.277 CC(C)COCCOC(C)CCO 34a_100000703358_100009893172 [0,0,0,0,0,2|0,0,0]=2 14247 B12R0.277 CC(C)COCCOC(C)CCO 7a_100000703358_100009893172 [0,0,0,0,0,2|0,0,0]=2 14248 B12R0.277 CC(C)CSCCOC(C)CC#N 7a_200000230437_100009813641 [0,0,0,0,0,2|1,0,1]=4 14249 B12R0.277 CC(C)CSCCOC(C)CCO 34a_200000230437_100009893172 [0,0,0,0,0,2|0,0,0]=2 14250 B12R0.277 CC(C)CSCCOC(C)CCO 7a_200000230437_100009893172 [0,0,0,0,0,2|0,0,0]=2 14251 B12R0.277 CC(C)NCCCOC(C)CCO 34a_100000182298_100009893172 [0,0,0,0,0,2|0,0,0]=2 14252 B12R0.277 CC(C)OCCCNC(=O)CCO 240690a_100000737246_100011216618 [0,0,0,0,0,2|1,0,1]=4 14253 B12R0.277 CC(CC#N)NCCCOC(C)C 2230a_100000737246_100009813641 [0,0,0,0,0,2|1,0,1]=4 14254 B12R0.277 CC(CCN)COCCOC(C)C 34a_106354213184_100000211751 [0,0,0,0,0,2|1,0,0]=3 14255 B12R0.277 CC(CCN)COCCSC(C)C 34a_106354213184_100000730970 [0,0,0,0,0,2|1,0,0]=3 14256 B12R0.277 CC(CCO)NCCCOC(C)C 2230a_100000737246_100009893172 [0,0,0,0,0,2|0,0,0]=2 14257 B12R0.277 CC(CCO)NCCCOC(C)C 34a_100000737246_100009893172 [0,0,0,0,0,2|0,0,0]=2 14258 B12R0.277 CC(CCO)OCCOCC(F)F 34a_100000704375_100009893172 [0,0,0,0,0,2|2,0,0]=4 14259 B12R0.277 CC(CCO)OCCOCC(F)F 7a_100000704375_100009893172 [0,0,0,0,0,2|2,0,0]=4 14260 B12R0.277 CC(CCO)SCCCCN(C)C 62a_100009893172_100000690147 [0,0,0,0,0,2|1,0,0]=3 14261 B12R0.277 CC(CCO)SCCOCC(F)F 62a_100009893172_200012177212 [0,0,0,0,0,2|2,0,0]=4 14262 B12R0.277 CC(CCO)SCCOCC(F)F 62a_200012177212_100009893172 [0,0,0,0,0,2|2,0,0]=4 14263 B12R0.277 CC(O)CCCOCC(C)CCN 34a_106354213184_200000718107 [0,0,0,0,0,2|2,0,0]=4 14264 B12R0.277 CCCC(C)CCCOCC(C)C 34a_100011713154_100000210624 [0,0,0,0,0,2|1,0,0]=3 14265 B12R0.277 CCCC(C)CCCOCC(C)C 7a_100011713154_100000210760 [0,0,0,0,0,2|1,0,0]=3 14266 B12R0.277 CCCC(C)CCCOCC(C)O 34a_100011713154_100011218427 [0,0,0,0,0,2|2,0,0]=4 14267 B12R0.277 CCCC(C)CCCOCC(C)O 7a_100011713154_100011218427 [0,0,0,0,0,2|2,0,0]=4 14268 B12R0.277 CCCC(C)CCCOC[C@@H](C)O 34a_100011713154_100009817552 [0,0,0,0,0,2|2,0,0]=4 14269 B12R0.277 CCCC(C)CCCOC[C@@H](C)O 7a_100011713154_100009817552 [0,0,0,0,0,2|2,0,0]=4 14270 B12R0.277 CCCC(C)CCOCC=C(C)C 34a_100011217855_100000761012 [0,0,0,0,0,2|1,0,1]=4 14271 B12R0.277 CCCC(C)CCOCC=C(C)C 7a_100011217855_100000761012 [0,0,0,0,0,2|1,0,1]=4 14272 B12R0.277 CCCC(C)CCOCCC(C)C 34a_100011217855_100000210312 [0,0,0,0,0,2|1,0,0]=3 14273 B12R0.277 CCCC(C)CCOCCC(C)C 7a_100011217855_100000210626 [0,0,0,0,0,2|1,0,0]=3 14274 B12R0.277 CCCC(C)CCOCCC(C)O 34a_100011217855_100012276601 [0,0,0,0,0,2|2,0,0]=4 14275 B12R0.277 CCCC(C)CCOCCC(C)O 7a_100011217855_100012276601 [0,0,0,0,0,2|2,0,0]=4 14276 B12R0.277 CCCC(C)CCOCCN(C)C 7a_100011217855_100000755713 [0,0,0,0,0,2|2,0,0]=4 14277 B12R0.277 CCCC(C)CCOCOC(C)C 34a_100011217855_100000709892 [0,0,0,0,0,2|1,0,0]=3 14278 B12R0.277 CCCC(C)CNCCCC(C)C 2230a_200000737386_100011216630 [0,0,0,0,0,2|1,0,0]=3 14279 B12R0.277 CCCC(C)CNCCCC(C)C 270004a_200000737386_100000243154 [0,0,0,0,0,2|1,0,0]=3 14280 B12R0.277 CCCC(C)CNCCCC(C)C 34a_200000737386_100011216630 [0,0,0,0,0,2|1,0,0]=3 14281 B12R0.277 CCCC(C)CNCCCN(C)C 270004a_102531767803_100000243154 [0,0,0,0,0,2|2,0,0]=4 14282 B12R0.277 CCCC(C)CNCCOC(C)C 2230a_100000701111_100011216630 [0,0,0,0,0,2|1,0,0]=3 14283 B12R0.277 CCCC(C)CNCCOC(C)C 270004a_100000701111_100000243154 [0,0,0,0,0,2|1,0,0]=3 14284 B12R0.277 CCCC(C)CNCCOC(C)C 34a_100000701111_100011216630 [0,0,0,0,0,2|1,0,0]=3 14285 B12R0.277 CCCC(C)CNCCSC(C)C 2230a_100000731138_100011216630 [0,0,0,0,0,2|1,0,0]=3 14286 B12R0.277 CCCC(C)CNCCSC(C)C 270004a_100000731138_100000243154 [0,0,0,0,0,2|1,0,0]=3 14287 B12R0.277 CCCC(C)CNCCSC(C)C 34a_100000731138_100011216630 [0,0,0,0,0,2|1,0,0]=3 14288 B12R0.277 CCCC(C)COCCC=C(C)C 34a_100000688023_100011217483 [0,0,0,0,0,2|1,0,1]=4 14289 B12R0.277 CCCC(C)COCCC=C(C)C 7a_100000688023_100011217483 [0,0,0,0,0,2|1,0,1]=4 14290 B12R0.277 CCCC(C)COCCCC(C)C 34a_100000210774_100011216630 [0,0,0,0,0,2|1,0,0]=3 14291 B12R0.277 CCCC(C)COCCCC(C)C 34a_100000688023_100011214892 [0,0,0,0,0,2|1,0,0]=3 14292 B12R0.277 CCCC(C)COCCCC(C)C 7a_100000210774_100011216630 [0,0,0,0,0,2|1,0,0]=3 14293 B12R0.277 CCCC(C)COCCCC(C)C 7a_100000688023_100011214892 [0,0,0,0,0,2|1,0,0]=3 14294 B12R0.277 CCCC(C)COCCCC(C)O 34a_100000688023_200000718107 [0,0,0,0,0,2|2,0,0]=4 14295 B12R0.277 CCCC(C)COCCCC(C)O 7a_100000688023_200000718107 [0,0,0,0,0,2|2,0,0]=4 14296 B12R0.277 CCCC(C)COCCCN(C)C 7a_100000688023_100000757444 [0,0,0,0,0,2|2,0,0]=4 14297 B12R0.277 CCCC(C)COCCNC(C)C 34a_100000224655_100011216630 [0,0,0,0,0,2|1,0,0]=3 14298 B12R0.277 CCCC(C)COCCOC(C)C 34a_100000211219_100011216630 [0,0,0,0,0,2|1,0,0]=3 14299 B12R0.277 CCCC(C)COCCOC(C)C 34a_100000688023_100000211751 [0,0,0,0,0,2|1,0,0]=3 14300 B12R0.277 CCCC(C)COCCOC(C)C 7a_100000211219_100011216630 [0,0,0,0,0,2|1,0,0]=3 14301 B12R0.277 CCCC(C)COCCOC(C)C 7a_100000688023_100000211751 [0,0,0,0,0,2|1,0,0]=3 14302 B12R0.277 CCCC(C)COCCSC(C)C 34a_100000688023_100000730970 [0,0,0,0,0,2|1,0,0]=3 14303 B12R0.277 CCCC(C)COCCSC(C)C 34a_200011212901_100011216630 [0,0,0,0,0,2|1,0,0]=3 14304 B12R0.277 CCCC(C)COCCSC(C)C 7a_100000688023_100000730970 [0,0,0,0,0,2|1,0,0]=3 14305 B12R0.277 CCCC(C)COCCSC(C)C 7a_200011212901_100011216630 [0,0,0,0,0,2|1,0,0]=3 14306 B12R0.277 CCCC(C)CSCCC=C(C)C 62a_100011216630_100011217483 [0,0,0,0,0,2|1,0,1]=4 14307 B12R0.277 CCCC(C)CSCCC=C(C)C 62a_100011217483_100011216630 [0,0,0,0,0,2|1,0,1]=4 14308 B12R0.277 CCCC(C)CSCCCC(C)C 62a_100011214892_100011216630 [0,0,0,0,0,2|1,0,0]=3 14309 B12R0.277 CCCC(C)CSCCCC(C)C 62a_100011216630_100011214892 [0,0,0,0,0,2|1,0,0]=3 14310 B12R0.277 CCCC(C)CSCCCC(C)O 62a_100011216630_200000718107 [0,0,0,0,0,2|2,0,0]=4 14311 B12R0.277 CCCC(C)CSCCCC(C)O 62a_200000718107_100011216630 [0,0,0,0,0,2|2,0,0]=4 14312 B12R0.277 CCCC(C)CSCCCN(C)C 62a_100011216630_100000757444 [0,0,0,0,0,2|2,0,0]=4 14313 B12R0.277 CCCC(C)CSCCOC(C)C 62a_100000211751_100011216630 [0,0,0,0,0,2|1,0,0]=3 14314 B12R0.277 CCCC(C)CSCCOC(C)C 62a_100011216630_100000211751 [0,0,0,0,0,2|1,0,0]=3 14315 B12R0.277 CCCC(C)CSCCSC(C)C 62a_100000730970_100011216630 [0,0,0,0,0,2|1,0,0]=3 14316 B12R0.277 CCCC(C)CSCCSC(C)C 62a_100011216630_100000730970 [0,0,0,0,0,2|1,0,0]=3 14317 B12R0.277 CCCC(C)NCCCCC(C)C 2230a_100000741246_100011216152 [0,0,0,0,0,2|1,0,0]=3 14318 B12R0.277 CCCC(C)NCCCOC(C)C 2230a_100000737246_100000766640 [0,0,0,0,0,2|1,0,0]=3 14319 B12R0.277 CCCC(C)NCCCOC(C)C 270004a_100000737246_100000211909 [0,0,0,0,0,2|1,0,0]=3 14320 B12R0.277 CCCC(C)NCCCOC(C)C 34a_100000737246_100000766640 [0,0,0,0,0,2|1,0,0]=3 14321 B12R0.277 CCCC(C)OCCCCC(C)C 34a_100000764384_100011216152 [0,0,0,0,0,2|1,0,0]=3 14322 B12R0.277 CCCC(C)OCCCCC(C)C 34a_100011214890_100000766640 [0,0,0,0,0,2|1,0,0]=3 14323 B12R0.277 CCCC(C)OCCCCC(C)C 7a_100000764384_100011216152 [0,0,0,0,0,2|1,0,0]=3 14324 B12R0.277 CCCC(C)OCCCCC(C)C 7a_100011214890_100000766640 [0,0,0,0,0,2|1,0,0]=3 14325 B12R0.277 CCCC(C)OCCCNC(C)C 34a_100000182298_100000766640 [0,0,0,0,0,2|1,0,0]=3 14326 B12R0.277 CCCC(C)OCCNCC(C)C 34a_100015185251_100000766640 [0,0,0,0,0,2|1,0,0]=3 14327 B12R0.277 CCCC(C)OCCOCC(C)C 34a_100000703358_100000766640 [0,0,0,0,0,2|1,0,0]=3 14328 B12R0.277 CCCC(C)OCCOCC(C)C 7a_100000703358_100000766640 [0,0,0,0,0,2|1,0,0]=3 14329 B12R0.277 CCCC(C)OCCSCC(C)C 34a_200000230437_100000766640 [0,0,0,0,0,2|1,0,0]=3 14330 B12R0.277 CCCC(C)OCCSCC(C)C 7a_200000230437_100000766640 [0,0,0,0,0,2|1,0,0]=3 14331 B12R0.277 CCCC(C)SCCCCC(C)C 62a_100000766640_100011216152 [0,0,0,0,0,2|1,0,0]=3 14332 B12R0.277 CCCC(C)SCCCCC(C)C 62a_100011216152_100000766640 [0,0,0,0,0,2|1,0,0]=3 14333 B12R0.277 CCCC(C)SCCCCN(C)C 62a_100000766640_100000690147 [0,0,0,0,0,2|2,0,0]=4 14334 B12R0.277 CCCN(C)CCCCCC(C)C 2230a_100000747261_100000210682 [0,0,0,0,0,2|2,0,0]=4 14335 B12R0.277 CCCN(C)CCCCCC(C)C 269982a_100000747261_100000210682 [0,0,0,0,0,2|2,0,0]=4 14336 B12R0.277 CCC[C@H](N)CCOCCC(C)C 34a_100015193777_100000210312 [0,0,0,0,0,2|2,0,0]=4 14337 B12R0.277 CCC[C@H](N)CCOCOC(C)C 34a_100015193777_100000709892 [0,0,0,0,0,2|2,0,0]=4 14338 B12R0.277 CCC[C@H](N)COCCCC(C)C 34a_100000732646_100011214892 [0,0,0,0,0,2|2,0,0]=4 14339 B12R0.277 CCC[C@H](N)COCCOC(C)C 34a_100000732646_100000211751 [0,0,0,0,0,2|2,0,0]=4 14340 B12R0.277 CCC[C@H](N)COCCSC(C)C 34a_100000732646_100000730970 [0,0,0,0,0,2|2,0,0]=4 14341 B12R0.277 COCC(C)NCCCOC(C)C 2230a_100000737246_100000765312 [0,0,0,0,0,2|2,0,0]=4 14342 B12R0.277 COCC(C)NCCCOC(C)C 270004a_100000737246_100000749346 [0,0,0,0,0,2|2,0,0]=4 14343 B12R0.277 COCC(C)NCCCOC(C)C 34a_100000737246_100000765312 [0,0,0,0,0,2|2,0,0]=4 14344 B12R0.277 COCC(C)OCCCCC(C)C 34a_100011214890_100000765312 [0,0,0,0,0,2|2,0,0]=4 14345 B12R0.277 COCC(C)OCCCCC(C)C 7a_100011214890_100000765312 [0,0,0,0,0,2|2,0,0]=4 14346 B12R0.277 COCC(C)OCCCNC(C)C 34a_100000182298_100000765312 [0,0,0,0,0,2|2,0,0]=4 14347 B12R0.277 COCC(C)OCCNCC(C)C 34a_100015185251_100000765312 [0,0,0,0,0,2|2,0,0]=4 14348 B12R0.277 COCC(C)OCCOCC(C)C 34a_100000703358_100000765312 [0,0,0,0,0,2|2,0,0]=4 14349 B12R0.277 COCC(C)OCCOCC(C)C 7a_100000703358_100000765312 [0,0,0,0,0,2|2,0,0]=4 14350 B12R0.277 COCC(C)OCCSCC(C)C 34a_200000230437_100000765312 [0,0,0,0,0,2|2,0,0]=4 14351 B12R0.277 COCC(C)OCCSCC(C)C 7a_200000230437_100000765312 [0,0,0,0,0,2|2,0,0]=4 14352 B12R0.277 COCC(C)SCCCCC(C)C 62a_100000765312_100011216152 [0,0,0,0,0,2|2,0,0]=4 14353 B12R0.277 COCC(C)SCCCCC(C)C 62a_100011216152_100000765312 [0,0,0,0,0,2|2,0,0]=4 14354 B12R0.277 COC[C@@H](C)NCCCCC(C)C 2230a_100000764878_100011216152 [0,0,0,0,0,2|2,0,0]=4 14355 B12R0.277 COC[C@@H](C)OCCCCC(C)C 34a_100011934205_100011216152 [0,0,0,0,0,2|2,0,0]=4 14356 B12R0.277 CSCC(C)NCCCOC(C)C 270004a_100000737246_100011216314 [0,0,0,0,0,2|2,0,0]=4 14357 B12R0.277 C[C@H](CCO)NCCOCC(F)F 2230a_100000706166_200012177212 [0,0,0,0,0,2|2,0,0]=4 14358 B12R0.277 C[C@H](CCO)NCCOCC(F)F 34a_100000706166_200012177212 [0,0,0,0,0,2|2,0,0]=4