0 B9R0.1 C#CC(=O)CCCC(C)C 1458a_100000211873_100011214892 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.1 C#CC(=O)CCCC(C)O 1458a_100000211873_200000718107 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.1 C#CC(=O)CCCN(C)C 1458a_100000211873_100000695564 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.1 C#CC(=O)CCOC(C)C 1458a_100000211873_100000211751 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.1 C#CC(=O)CCSC(C)C 1458a_100000211873_100000730970 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.1 C#CC(C)OCCC(C)C 34a_100000210254_200000035995 [0,0,0,0,0,0|1,0,3]=4 6 B9R0.1 C#C[C@@H](C)OCCC(C)C 34a_100009815206_100000210312 [0,0,0,0,0,0|1,0,3]=4 7 B9R0.1 C#C[C@@H](C)OCCC(C)C 7a_100009815206_100000210626 [0,0,0,0,0,0|1,0,3]=4 8 B9R0.1 C=C(C)CCOC(C)CC 34a_100000764851_100011215416 [0,0,0,0,0,0|1,0,3]=4 9 B9R0.1 C=C(C)CCOC(C)CC 7a_100000210228_100000730704 [0,0,0,0,0,0|1,0,3]=4 10 B9R0.1 C=C(C)CNNC(=O)CC 22a_100000729518_100000210414 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.1 C=C(C)COCC(=O)CC 34a_100000725409_100000748629 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000747405_100000211660 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000748629_100000747405 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [0,0,0,0,0,0|1,0,2]=3 15 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [0,0,0,0,0,0|2,0,2]=4 16 B9R0.1 C=CC(=O)CCCN(C)C 1458a_100000185746_100000695564 [0,0,0,0,0,0|2,0,2]=4 17 B9R0.1 C=CC(=O)CCOC(C)C 1458a_100000185746_100000211751 [0,0,0,0,0,0|2,0,2]=4 18 B9R0.1 C=CC(=O)CCSC(C)C 1458a_100000185746_100000730970 [0,0,0,0,0,0|2,0,2]=4 19 B9R0.1 C=CC(=O)NCCC(C)C 1626a_100000210545_100000185746 [0,0,0,0,0,0|1,0,2]=3 20 B9R0.1 C=CC(=O)NCCC(C)C 240690a_100000210545_200121576911 [0,0,0,0,0,0|1,0,2]=3 21 B9R0.1 C=CC(=O)NCCC(C)O 240690a_200000755665_200121576911 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.1 C=CC(=O)NCCN(C)C 240690a_100000210585_200121576911 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.1 C=CC(=O)NNCC(C)C 22a_100000696102_100000185746 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000065099_200000210301 [0,0,0,0,0,0|1,0,3]=4 25 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000070787_100009813456 [0,0,0,0,0,0|1,0,3]=4 26 B9R0.1 C=CC(=O)OCCC(=O)[13CH3] 1458a_100000065099_200025704644 [0,0,0,0,0,0|1,0,3]=4 27 B9R0.1 C=CC(=O)OCCN(C)C 2230a_100102631434_100009813456 [0,0,0,0,0,0|1,0,2]=3 28 B9R0.1 C=CC(=O)OCCN(C)C 269982a_100102631434_100009813456 [0,0,0,0,0,0|1,0,2]=3 29 B9R0.1 C=CC(C)OCCC(C)C 34a_100000695699_100000210312 [0,0,0,0,0,0|1,0,3]=4 30 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,0,0,0,0,0|2,0,2]=4 31 B9R0.1 CC(=CCNC(=O)CO)C 527a_100000718196_100000210174 [0,0,0,0,0,0|2,0,2]=4 32 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.1 CC(Br)CCOC(C)CO 34a_100009893172_100012180447 [0,0,0,0,0,0|3,0,1]=4 34 B9R0.1 CC(C)/C=C/CC(=O)CF 1458a_100016292215_100015361967 [0,0,0,0,0,0|2,0,2]=4 35 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [0,0,0,0,0,0|2,0,0]=2 36 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,0,0,0,0,0|2,0,0]=2 37 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [0,0,0,0,0,0|3,0,1]=4 38 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [0,0,0,0,0,0|3,0,1]=4 39 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [0,0,0,0,0,0|3,0,1]=4 40 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [0,0,0,0,0,0|2,0,0]=2 41 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [0,0,0,0,0,0|2,0,0]=2 42 B9R0.1 CC(C)CCN[C@H](C)CF 269862a_100102880703_100000185833 [0,0,0,0,0,0|3,0,1]=4 43 B9R0.1 CC(C)CCN[C@H](C)CO 2230a_100000737577_100000210312 [0,0,0,0,0,0|3,0,1]=4 44 B9R0.1 CC(C)CCN[C@H](C)CO 269862a_100000737577_100000185833 [0,0,0,0,0,0|3,0,1]=4 45 B9R0.1 CC(C)CCOC(C)C#N 34a_100011218135_100000210312 [0,0,0,0,0,0|2,0,2]=4 46 B9R0.1 CC(C)CCOC(C)C#N 7a_100000210254_100000703298 [0,0,0,0,0,0|2,0,2]=4 47 B9R0.1 CC(C)CCOC(C)CF 34a_100016041109_100000210312 [0,0,0,0,0,0|2,0,1]=3 48 B9R0.1 CC(C)CCOC(C)CF 7a_100016041109_100000210626 [0,0,0,0,0,0|2,0,1]=3 49 B9R0.1 CC(C)CCOC(C)CN 34a_100000210904_100000210312 [0,0,0,0,0,0|2,0,1]=3 50 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [0,0,0,0,0,0|2,0,1]=3 51 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [0,0,0,0,0,0|2,0,1]=3 52 B9R0.1 CC(C)CCSC(C)CO 62a_100012180447_100000210312 [0,0,0,0,0,0|2,1,1]=4 53 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100000210312_100016084084 [0,0,0,0,0,0|2,1,1]=4 54 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100016084084_100000210312 [0,0,0,0,0,0|2,1,1]=4 55 B9R0.1 CC(C)CNNC(=O)CO 22a_100000696102_100000210174 [0,0,0,0,0,0|3,0,0]=3 56 B9R0.1 CC(C)COCC(=O)CF 1458a_100011223364_100015361967 [0,0,0,0,0,0|3,0,0]=3 57 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [0,0,0,0,0,0|3,0,0]=3 58 B9R0.1 CC(C)OCOC(C)CF 34a_100016041109_100000709892 [0,0,0,0,0,0|3,0,1]=4 59 B9R0.1 CC(C)OCOC(C)CN 34a_100000210904_100000709892 [0,0,0,0,0,0|3,0,1]=4 60 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [0,0,0,0,0,0|3,0,0]=3 61 B9R0.1 CC(CF)OCCN(C)C 7a_100016041109_100000755713 [0,0,0,0,0,0|3,0,1]=4 62 B9R0.1 CC(CO)OCC[C@@H](C)N 34a_100000706166_100012180447 [0,0,0,0,0,0|3,0,1]=4 63 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,0,0,0,0,0|3,0,0]=3 64 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [0,0,0,0,0,0|3,0,0]=3 65 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [0,0,0,0,0,0|3,0,0]=3 66 B9R0.1 CC(O)CCOC(C)CF 34a_100016041109_100012276601 [0,0,0,0,0,0|3,0,1]=4 67 B9R0.1 CC(O)CCOC(C)CF 7a_100016041109_100012276601 [0,0,0,0,0,0|3,0,1]=4 68 B9R0.1 CC(O)CCOC(C)CN 34a_100000210904_100012276601 [0,0,0,0,0,0|3,0,1]=4 69 B9R0.1 CC(O)CNNC(=O)CO 22a_200000730056_100000210174 [0,0,0,0,0,0|4,0,0]=4 70 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [0,0,0,0,0,0|1,0,2]=3 71 B9R0.1 CCC(=O)C=CCN(C)C 1458a_100000754359_100000210202 [0,0,0,0,0,0|2,0,1]=3 72 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,0,0,0,0,0|1,0,2]=3 73 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,0,0,0,0,0|2,0,1]=3 74 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,0,0,0,0,0|3,0,1]=4 75 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,0,0,0,0,0|1,0,0]=1 76 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,0,0,0,0,0|1,0,0]=1 77 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,0,0,0,0,0|2,0,0]=2 78 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [0,0,0,0,0,0|2,0,0]=2 79 B9R0.1 CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210202 [0,0,0,0,0,0|4,0,0]=4 80 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [0,0,0,0,0,0|3,0,1]=4 81 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [0,0,0,0,0,0|3,0,1]=4 82 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,0,0,0,0,0|3,0,1]=4 83 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [0,0,0,0,0,0|2,0,0]=2 84 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [0,0,0,0,0,0|3,0,1]=4 85 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [0,0,0,0,0,0|2,0,0]=2 86 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [0,0,0,0,0,0|2,0,0]=2 87 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [0,0,0,0,0,0|2,0,0]=2 88 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,0,0,0,0,0|3,0,0]=3 89 B9R0.1 CCC(=O)COCC(F)F 34a_100000725409_100011934356 [0,0,0,0,0,0|4,0,0]=4 90 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,0,0,0,0,0|3,0,0]=3 91 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,0,0,0,0,0|2,0,0]=2 92 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,0,0,0,0,0|2,0,0]=2 93 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,0,0,0,0,0|3,0,0]=3 94 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,0,0,0,0,0|3,0,0]=3 95 B9R0.1 CCC(=O)CSCC(F)F 62a_100000747405_100011934356 [0,0,0,0,0,0|4,0,0]=4 96 B9R0.1 CCC(=O)CSCC(F)F 62a_100011934356_100000747405 [0,0,0,0,0,0|4,0,0]=4 97 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,0,0,0,0,0|3,0,0]=3 98 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,0,0,0,0,0|3,0,0]=3 99 B9R0.1 CCC(=O)NCC=C(C)C 11a_100000718196_100000210414 [0,0,0,0,0,0|1,0,2]=3 100 B9R0.1 CCC(=O)NCC=C(C)C 1626a_100000718196_100000210414 [0,0,0,0,0,0|1,0,2]=3 101 B9R0.1 CCC(=O)NCC=C(C)C 527a_100000718196_100000210414 [0,0,0,0,0,0|1,0,2]=3 102 B9R0.1 CCC(=O)NCCC(=O)N 11a_100000740010_100000210414 [0,0,0,0,0,0|3,0,1]=4 103 B9R0.1 CCC(=O)NCCC(=O)N 240690a_100000740010_100000210414 [0,0,0,0,0,0|3,0,1]=4 104 B9R0.1 CCC(=O)NCCC(=O)N 527a_100000740010_100000210414 [0,0,0,0,0,0|3,0,1]=4 105 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,0,0,0,0,0|1,0,0]=1 106 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,0,0,0,0,0|1,0,0]=1 107 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,0,0,0,0,0|1,0,0]=1 108 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,0,0,0,0,0|1,0,0]=1 109 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,0,0,0,0,0|2,0,0]=2 110 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,0,0,0,0,0|2,0,0]=2 111 B9R0.1 CCC(=O)NCCN(C)C 240690a_100000210585_100000210414 [0,0,0,0,0,0|2,0,0]=2 112 B9R0.1 CCC(=O)NCCN(C)C 527a_100000210585_100000210414 [0,0,0,0,0,0|2,0,0]=2 113 B9R0.1 CCC(=O)NN=CC(C)C 4a_100000183195_100000210432 [0,0,0,0,0,0|2,0,1]=3 114 B9R0.1 CCC(=O)NNCC(C)C 22a_100000696102_100000210414 [0,0,0,0,0,0|2,0,0]=2 115 B9R0.1 CCC(=O)NNCC(C)O 22a_200000730056_100000210414 [0,0,0,0,0,0|3,0,0]=3 116 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [0,0,0,0,0,0|3,0,1]=4 117 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [0,0,0,0,0,0|3,0,1]=4 118 B9R0.1 CCC(C)CNCC(C)C 2230a_100000210953_100000748023 [0,0,0,0,0,0|3,0,1]=4 119 B9R0.1 CCC(C)CNCC(C)C 2230a_100020588543_100000210760 [0,0,0,0,0,0|3,0,1]=4 120 B9R0.1 CCC(C)CNCC(C)C 270004a_100000210953_100000243153 [0,0,0,0,0,0|3,0,1]=4 121 B9R0.1 CCC(C)CNCC(C)C 270004a_100020588543_100000210432 [0,0,0,0,0,0|3,0,1]=4 122 B9R0.1 CCC(C)CNCC(C)C 34a_100000210953_100000748023 [0,0,0,0,0,0|3,0,1]=4 123 B9R0.1 CCC(C)COCC(C)C 34a_100000210257_100000748023 [0,0,0,0,0,0|3,0,1]=4 124 B9R0.1 CCC(C)CSCC(C)C 62a_100000210624_100000748023 [0,0,0,0,0,0|3,0,1]=4 125 B9R0.1 CCC(C)CSCC(C)C 62a_100000748023_100000210760 [0,0,0,0,0,0|3,0,1]=4 126 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [0,0,0,0,0,0|2,0,1]=3 127 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [0,0,0,0,0,0|2,0,1]=3 128 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [0,0,0,0,0,0|3,0,1]=4 129 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [0,0,0,0,0,0|3,0,1]=4 130 B9R0.1 CCC(C)NCOC(C)C 2230a_100000209981_100000709892 [0,0,0,0,0,0|3,0,1]=4 131 B9R0.1 CCC(C)OCC=C(C)C 34a_100000753907_100011215416 [0,0,0,0,0,0|1,0,3]=4 132 B9R0.1 CCC(C)OCC=C(C)C 7a_100000210228_100000761012 [0,0,0,0,0,0|1,0,3]=4 133 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,0,0,0,0,0|2,0,2]=4 134 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,0,0,0,0,0|2,0,2]=4 135 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,0,0,0,0,0|2,0,2]=4 136 B9R0.1 CCC(C)OCCC(C)Br 34a_100009893172_100011215416 [0,0,0,0,0,0|2,0,1]=3 137 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [0,0,0,0,0,0|1,0,1]=2 138 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [0,0,0,0,0,0|1,0,1]=2 139 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [0,0,0,0,0,0|1,0,1]=2 140 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [0,0,0,0,0,0|2,0,1]=3 141 B9R0.1 CCC(C)OCCC(F)F 34a_100103093639_100011215416 [0,0,0,0,0,0|3,0,1]=4 142 B9R0.1 CCC(C)OCCN(C)C 7a_100000210228_100000755713 [0,0,0,0,0,0|2,0,1]=3 143 B9R0.1 CCC(C)OCC[C@@H](C)N 34a_100000706166_100011215416 [0,0,0,0,0,0|2,0,1]=3 144 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [0,0,0,0,0,0|1,1,1]=3 145 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [0,0,0,0,0,0|1,1,1]=3 146 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [0,0,0,0,0,0|2,1,1]=4 147 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [0,0,0,0,0,0|2,1,1]=4 148 B9R0.1 CCC(C)SCCN(C)C 62a_100000758301_100000755713 [0,0,0,0,0,0|2,1,1]=4 149 B9R0.1 CCC(C)SCOC(C)C 62a_100000709892_100000758301 [0,0,0,0,0,0|2,1,1]=4 150 B9R0.1 CCC(C)SCOC(C)C 62a_100000758301_100000709892 [0,0,0,0,0,0|2,1,1]=4 151 B9R0.1 CCC(O)CNCC(C)C 2230a_100000210953_100011218378 [0,0,0,0,0,0|2,0,2]=4 152 B9R0.1 CCC(O)CNCC(C)C 2230a_100011218483_100000210760 [0,0,0,0,0,0|2,0,2]=4 153 B9R0.1 CCC(O)CNCC(C)C 270004a_100011218483_100000210432 [0,0,0,0,0,0|2,0,2]=4 154 B9R0.1 CCC(O)CNCC(C)C 34a_100000210953_100011218378 [0,0,0,0,0,0|2,0,2]=4 155 B9R0.1 CCC(O)COCC(C)C 34a_100000210257_100011218378 [0,0,0,0,0,0|2,0,2]=4 156 B9R0.1 CCC(O)CSCC(C)C 62a_100000210624_100011218378 [0,0,0,0,0,0|2,0,2]=4 157 B9R0.1 CCC(O)CSCC(C)C 62a_100011218378_100000210760 [0,0,0,0,0,0|2,0,2]=4 158 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [0,0,0,0,0,0|3,0,0]=3 159 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [0,0,0,0,0,0|3,0,0]=3 160 B9R0.1 CCN(C)CCCC(C)O 2230a_100000225621_200000718107 [0,0,0,0,0,0|4,0,0]=4 161 B9R0.1 CCN(C)CCCC(C)O 269982a_100000225621_200000718107 [0,0,0,0,0,0|4,0,0]=4 162 B9R0.1 CCN(C)CCCN(C)C 2230a_100102631434_100015186262 [0,0,0,0,0,0|4,0,0]=4 163 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225621_100000757444 [0,0,0,0,0,0|4,0,0]=4 164 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225831_100000204670 [0,0,0,0,0,0|4,0,0]=4 165 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225837_200000210301 [0,0,0,0,0,0|4,0,0]=4 166 B9R0.1 CCN(C)CCCN(C)C 269982a_100102631434_100015186262 [0,0,0,0,0,0|4,0,0]=4 167 B9R0.1 CCN(C)CCOC(C)C 2230a_100000225621_100000211751 [0,0,0,0,0,0|4,0,0]=4 168 B9R0.1 CCN(C)CCOC(C)C 269982a_100000225621_100000211751 [0,0,0,0,0,0|4,0,0]=4 169 B9R0.1 CCN(C)CCSC(C)C 2230a_100000225621_100000730970 [0,0,0,0,0,0|4,0,0]=4 170 B9R0.1 CCN(C)CCSC(C)C 269982a_100000225621_100000730970 [0,0,0,0,0,0|4,0,0]=4 171 B9R0.1 CCN([13CH3])CCCN(C)C 269982a_100000225837_200025704644 [0,0,0,0,0,0|4,0,0]=4 172 B9R0.1 CC[C@H](C)CNCC(C)C 2230a_100000210953_100009816398 [0,0,0,0,0,0|3,0,1]=4 173 B9R0.1 CC[C@H](C)CNCC(C)C 34a_100000210953_100009816398 [0,0,0,0,0,0|3,0,1]=4 174 B9R0.1 CC[C@H](C)COCC(C)C 34a_100000210257_100009816398 [0,0,0,0,0,0|3,0,1]=4 175 B9R0.1 CC[C@H](C)COCC(C)C 7a_100009816381_100000210760 [0,0,0,0,0,0|3,0,1]=4 176 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100000210624_100009816398 [0,0,0,0,0,0|3,0,1]=4 177 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100009816398_100000210760 [0,0,0,0,0,0|3,0,1]=4 178 B9R0.1 CN(C)CC=CC(=O)CF 1458a_100000754359_100015361967 [0,0,0,0,0,0|3,0,1]=4 179 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [0,0,0,0,0,0|3,0,0]=3 180 B9R0.1 CN(C)CCNC(=O)CO 240690a_100000210585_100000210174 [0,0,0,0,0,0|3,0,0]=3 181 B9R0.1 CN(C)CCNC(=O)CO 527a_100000210585_100000210174 [0,0,0,0,0,0|3,0,0]=3 182 B9R0.1 CNC(=O)C/C=C/C(C)C 11a_106832991635_100016292215 [0,0,0,0,0,0|2,0,2]=4 183 B9R0.1 CNC(=O)C/C=C/C(C)C 1626a_100102657272_100016292215 [0,0,0,0,0,0|2,0,2]=4 184 B9R0.1 CNC(=O)C/C=C/C(C)C 240690a_100102657272_100016292215 [0,0,0,0,0,0|2,0,2]=4 185 B9R0.1 CNC(=O)C=CCN(C)C 240690a_100102657272_100000754359 [0,0,0,0,0,0|3,0,1]=4 186 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,0,0,0,0,0|3,0,1]=4 187 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,0,0,0,0,0|2,0,0]=2 188 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,0,0,0,0,0|2,0,0]=2 189 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,0,0,0,0,0|2,0,0]=2 190 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,0,0,0,0,0|2,0,0]=2 191 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,0,0,0,0,0|3,0,0]=3 192 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,0,0,0,0,0|3,0,0]=3 193 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [0,0,0,0,0,0|3,0,0]=3 194 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [0,0,0,0,0,0|3,0,0]=3 195 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [0,0,0,0,0,0|3,0,0]=3 196 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [0,0,0,0,0,0|3,0,0]=3 197 B9R0.1 CNC(=O)CCNC(C)C 2230a_100000738227_100000210206 [0,0,0,0,0,0|3,0,0]=3 198 B9R0.1 CNC(=O)CCNC(C)C 2230a_100138425928_100000737683 [0,0,0,0,0,0|3,0,0]=3 199 B9R0.1 CNC(=O)CCNC(C)C 34a_100000738227_100000210206 [0,0,0,0,0,0|3,0,0]=3 200 B9R0.1 CNC(=O)CCNC(C)C 34a_100138425928_100012179268 [0,0,0,0,0,0|3,0,0]=3 201 B9R0.1 CNC(=O)CCOC(C)C 34a_100000212225_100012179268 [0,0,0,0,0,0|3,0,0]=3 202 B9R0.1 CNC(=O)CCOC(C)C 34a_100000754576_100000210206 [0,0,0,0,0,0|3,0,0]=3 203 B9R0.1 CNC(=O)CCSC(C)C 62a_100000210206_100000737683 [0,0,0,0,0,0|3,0,0]=3 204 B9R0.1 CNC(=O)CCSC(C)C 62a_100000737683_100000210206 [0,0,0,0,0,0|3,0,0]=3 205 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000210953_100000183359 [0,0,0,0,0,0|3,0,0]=3 206 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000693194_100000210760 [0,0,0,0,0,0|3,0,0]=3 207 B9R0.1 CNC(=O)CNCC(C)C 270004a_100000693194_100000210432 [0,0,0,0,0,0|3,0,0]=3 208 B9R0.1 CNC(=O)CNCC(C)C 34a_100000210953_100000183359 [0,0,0,0,0,0|3,0,0]=3 209 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [0,0,0,0,0,0|4,0,0]=4 210 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [0,0,0,0,0,0|4,0,0]=4 211 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [0,0,0,0,0,0|4,0,0]=4 212 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [0,0,0,0,0,0|4,0,0]=4 213 B9R0.1 CNC(=O)COCC(C)Br 34a_100012180447_100000183359 [0,0,0,0,0,0|4,0,0]=4 214 B9R0.1 CNC(=O)COCC(C)C 11a_106832991635_100011223364 [0,0,0,0,0,0|3,0,0]=3 215 B9R0.1 CNC(=O)COCC(C)C 1626a_100102657272_100011223364 [0,0,0,0,0,0|3,0,0]=3 216 B9R0.1 CNC(=O)COCC(C)C 240690a_100102657272_100011223364 [0,0,0,0,0,0|3,0,0]=3 217 B9R0.1 CNC(=O)COCC(C)C 34a_100000210257_100000183359 [0,0,0,0,0,0|3,0,0]=3 218 B9R0.1 CNC(=O)COCC(C)C 34a_100000750040_100000210624 [0,0,0,0,0,0|3,0,0]=3 219 B9R0.1 CNC(=O)COCC(C)C 527a_100102657272_100011223364 [0,0,0,0,0,0|3,0,0]=3 220 B9R0.1 CNC(=O)COCC(C)F 34a_100015925927_100000183359 [0,0,0,0,0,0|4,0,0]=4 221 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [0,0,0,0,0,0|4,0,0]=4 222 B9R0.1 CNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183359 [0,0,0,0,0,0|4,0,0]=4 223 B9R0.1 CNC(=O)COC[C@@H](C)N 34a_100000737577_100000183359 [0,0,0,0,0,0|4,0,0]=4 224 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [0,0,0,0,0,0|4,0,0]=4 225 B9R0.1 CNC(=O)CSCC(C)C 62a_100000183359_100000210760 [0,0,0,0,0,0|3,0,0]=3 226 B9R0.1 CNC(=O)CSCC(C)C 62a_100000210624_100000183359 [0,0,0,0,0,0|3,0,0]=3 227 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [0,0,0,0,0,0|4,0,0]=4 228 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [0,0,0,0,0,0|4,0,0]=4 229 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [0,0,0,0,0,0|4,0,0]=4 230 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [0,0,0,0,0,0|4,0,0]=4 231 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100000718196_106832991635 [0,0,0,0,0,0|2,0,2]=4 232 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100102657272_100000718196 [0,0,0,0,0,0|2,0,2]=4 233 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100000718196_100102657272 [0,0,0,0,0,0|2,0,2]=4 234 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100102657272_100000718196 [0,0,0,0,0,0|2,0,2]=4 235 B9R0.1 CNC(=O)NCC=C(C)C 512a_100000718196_100102657272 [0,0,0,0,0,0|2,0,2]=4 236 B9R0.1 CNC(=O)NCC=C(C)C 512a_106832991638_100000718196 [0,0,0,0,0,0|2,0,2]=4 237 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [0,0,0,0,0,0|2,0,0]=2 238 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [0,0,0,0,0,0|2,0,0]=2 239 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [0,0,0,0,0,0|2,0,0]=2 240 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [0,0,0,0,0,0|2,0,0]=2 241 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [0,0,0,0,0,0|2,0,0]=2 242 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [0,0,0,0,0,0|2,0,0]=2 243 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,0,0,0,0,0|3,0,0]=3 244 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,0,0,0,0,0|3,0,0]=3 245 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,0,0,0,0,0|3,0,0]=3 246 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,0,0,0,0,0|3,0,0]=3 247 B9R0.1 CNC(=O)NCCN(C)C 2708a_100102657272_100000210585 [0,0,0,0,0,0|3,0,0]=3 248 B9R0.1 CNC(=O)NCCN(C)C 273464a_100000210585_100102657272 [0,0,0,0,0,0|3,0,0]=3 249 B9R0.1 CNC(=O)NCCN(C)C 273464a_100102657272_100000210585 [0,0,0,0,0,0|3,0,0]=3 250 B9R0.1 CNC(=O)NCCN(C)C 512a_106832991638_100000210585 [0,0,0,0,0,0|3,0,0]=3 251 B9R0.1 CNC(=O)NNCC(C)C 273464a_100102657272_100000696102 [0,0,0,0,0,0|3,0,0]=3 252 B9R0.1 CNC(=O)NNCC(C)C 512a_100000696102_100102657272 [0,0,0,0,0,0|3,0,0]=3 253 B9R0.1 CNC(=O)NNCC(C)C 512a_106832991638_100000696102 [0,0,0,0,0,0|3,0,0]=3 254 B9R0.1 CNC(=O)NNCC(C)O 512a_106832991638_200000730056 [0,0,0,0,0,0|4,0,0]=4 255 B9R0.1 CNC(=O)NNCC(C)O 512a_200000730056_100102657272 [0,0,0,0,0,0|4,0,0]=4 256 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [0,0,0,0,0,0|2,0,1]=3 257 B9R0.1 CNC(=O)OCCN(C)C 269982a_100102631434_200011997002 [0,0,0,0,0,0|2,0,0]=2 258 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [0,0,0,0,0,0|3,0,1]=4 259 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [0,0,0,0,0,0|3,0,1]=4 260 B9R0.1 COC(=O)/C=C/CN(C)C 2230a_100102631434_100000742655 [0,0,0,0,0,0|3,0,1]=4 261 B9R0.1 COC(=O)/C=C/CN(C)C 269982a_100102631434_100000742655 [0,0,0,0,0,0|3,0,1]=4 262 B9R0.1 COC(=O)C=NNC(C)C 4a_100000741168_200011823558 [0,0,0,0,0,0|4,0,0]=4 263 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,0,0,0,0,0|3,0,1]=4 264 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,0,0,0,0,0|3,0,1]=4 265 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,0,0,0,0,0|3,0,1]=4 266 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [0,0,0,0,0,0|3,0,0]=3 267 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [0,0,0,0,0,0|3,0,0]=3 268 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [0,0,0,0,0,0|3,0,0]=3 269 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [0,0,0,0,0,0|3,0,0]=3 270 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [0,0,0,0,0,0|3,0,0]=3 271 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [0,0,0,0,0,0|3,0,0]=3 272 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [0,0,0,0,0,0|3,0,0]=3 273 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [0,0,0,0,0,0|3,0,0]=3 274 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [0,0,0,0,0,0|3,0,0]=3 275 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,0,0,0,0,0|3,0,0]=3 276 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,0,0,0,0,0|3,0,0]=3 277 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [0,0,0,0,0,0|4,0,0]=4 278 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [0,0,0,0,0,0|4,0,0]=4 279 B9R0.1 COC(=O)COCC(C)Br 34a_100012180447_100000747449 [0,0,0,0,0,0|4,0,0]=4 280 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [0,0,0,0,0,0|3,0,0]=3 281 B9R0.1 COC(=O)COCC(C)F 34a_100015925927_100000747449 [0,0,0,0,0,0|4,0,0]=4 282 B9R0.1 COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000747449 [0,0,0,0,0,0|4,0,0]=4 283 B9R0.1 COC(=O)COC[C@@H](C)N 34a_100000737577_100000747449 [0,0,0,0,0,0|4,0,0]=4 284 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [0,0,0,0,0,0|3,0,0]=3 285 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [0,0,0,0,0,0|3,0,0]=3 286 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [0,0,0,0,0,0|4,0,0]=4 287 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [0,0,0,0,0,0|4,0,0]=4 288 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [0,0,0,0,0,0|4,0,0]=4 289 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [0,0,0,0,0,0|4,0,0]=4 290 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [0,0,0,0,0,0|2,0,0]=2 291 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [0,0,0,0,0,0|3,0,1]=4 292 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [0,0,0,0,0,0|3,0,1]=4 293 B9R0.1 COC(C)SCCC(C)C 62a_100000210312_100009879195 [0,0,0,0,0,0|2,1,1]=4 294 B9R0.1 COC(C)SCCC(C)C 62a_100009879195_100000210312 [0,0,0,0,0,0|2,1,1]=4 295 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [1,0,0,0,0,0|1,0,2]=4 296 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [1,0,0,0,0,0|1,0,2]=4 297 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [1,0,0,0,0,0|1,0,2]=4 298 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [1,0,0,0,0,0|1,0,2]=4 299 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [1,0,0,0,0,0|1,0,2]=4 300 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [1,0,0,0,0,0|1,0,2]=4 301 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [1,0,0,0,0,0|1,0,2]=4 302 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [1,0,0,0,0,0|1,0,2]=4 303 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [1,0,0,0,0,0|1,0,2]=4 304 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [1,0,0,0,0,0|1,0,2]=4 305 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [1,0,0,0,0,0|1,0,2]=4 306 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [1,0,0,0,0,0|1,0,2]=4 307 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [1,0,0,0,0,0|1,0,2]=4 308 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [1,0,0,0,0,0|1,0,2]=4 309 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [1,0,0,0,0,0|1,0,2]=4 310 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [1,0,0,0,0,0|1,0,2]=4 311 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [1,0,0,0,0,0|1,0,2]=4 312 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [1,0,0,0,0,0|1,0,2]=4 313 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [1,0,0,0,0,0|1,0,2]=4 314 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [1,0,0,0,0,0|1,0,2]=4 315 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [1,0,0,0,0,0|1,0,2]=4 316 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [1,0,0,0,0,0|1,0,2]=4 317 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [1,0,0,0,0,0|1,0,2]=4 318 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [1,0,0,0,0,0|1,0,2]=4 319 B8R0.6 CC#CCNC(=O)CC 11a_100000685387_100000210414 [1,0,0,0,0,0|1,0,2]=4 320 B8R0.6 CC#CCNC(=O)CC 1626a_100000685387_100000210414 [1,0,0,0,0,0|1,0,2]=4 321 B8R0.6 CC#CCNC(=O)CC 527a_100000685387_100000210414 [1,0,0,0,0,0|1,0,2]=4 322 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [1,0,0,0,0,0|1,0,2]=4 323 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [1,0,0,0,0,0|1,0,2]=4 324 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [1,0,0,0,0,0|1,0,2]=4 325 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [1,0,0,0,0,0|2,0,1]=4 326 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [1,0,0,0,0,0|2,0,1]=4 327 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [1,0,0,0,0,0|2,0,1]=4 328 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [1,0,0,0,0,0|2,0,0]=3 329 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,0,0,0,0,0|2,0,0]=3 330 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,0,0,0,0,0|2,0,0]=3 331 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,0,0,0,0,0|2,0,0]=3 332 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,0,0,0,0,0|2,0,0]=3 333 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,0,0,0,0,0|2,0,0]=3 334 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [1,0,0,0,0,0|3,0,0]=4 335 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [1,0,0,0,0,0|3,0,0]=4 336 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [1,0,0,0,0,0|3,0,0]=4 337 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [1,0,0,0,0,0|3,0,0]=4 338 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [1,0,0,0,0,0|3,0,0]=4 339 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [1,0,0,0,0,0|3,0,0]=4 340 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [1,0,0,0,0,0|3,0,0]=4 341 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [1,0,0,0,0,0|3,0,0]=4 342 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [1,0,0,0,0,0|3,0,0]=4 343 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [1,0,0,0,0,0|3,0,0]=4 344 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [1,0,0,0,0,0|3,0,0]=4 345 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [1,0,0,0,0,0|3,0,0]=4 346 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [1,0,0,0,0,0|2,0,1]=4 347 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [1,0,0,0,0,0|2,0,1]=4 348 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [1,0,0,0,0,0|2,0,1]=4 349 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [1,0,0,0,0,0|2,0,1]=4 350 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [1,0,0,0,0,0|2,0,0]=3 351 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [1,0,0,0,0,0|2,0,0]=3 352 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [1,0,0,0,0,0|2,0,0]=3 353 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [1,0,0,0,0,0|2,0,0]=3 354 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [1,0,0,0,0,0|2,0,0]=3 355 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [1,0,0,0,0,0|2,0,0]=3 356 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [1,0,0,0,0,0|2,0,0]=3 357 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [1,0,0,0,0,0|2,0,0]=3 358 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [1,0,0,0,0,0|2,0,0]=3 359 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [1,0,0,0,0,0|2,0,0]=3 360 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [1,0,0,0,0,0|2,0,0]=3 361 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [1,0,0,0,0,0|2,0,0]=3 362 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [1,0,0,0,0,0|2,0,0]=3 363 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [1,0,0,0,0,0|2,0,0]=3 364 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [1,0,0,0,0,0|2,0,0]=3 365 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [1,0,0,0,0,0|2,0,0]=3 366 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [1,0,0,0,0,0|2,0,0]=3 367 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [1,0,0,0,0,0|2,0,0]=3 368 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [1,0,0,0,0,0|2,0,0]=3 369 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [1,0,0,0,0,0|3,0,0]=4 370 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [1,0,0,0,0,0|1,0,0]=2 371 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [1,0,0,0,0,0|1,0,0]=2 372 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [1,0,0,0,0,0|2,0,1]=4 373 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [1,0,0,0,0,0|2,0,1]=4 374 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [1,0,0,0,0,0|2,0,1]=4 375 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [1,0,0,0,0,0|2,0,1]=4 376 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [1,0,0,0,0,0|2,0,1]=4 377 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [1,0,0,0,0,0|2,0,1]=4 378 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [1,0,0,0,0,0|2,0,1]=4 379 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [1,0,0,0,0,0|2,0,1]=4 380 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [1,0,0,0,0,0|2,0,1]=4 381 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [1,0,0,0,0,0|2,0,1]=4 382 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [1,0,0,0,0,0|2,0,1]=4 383 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [1,0,0,0,0,0|2,0,1]=4 384 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [1,0,0,0,0,0|1,0,1]=3 385 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [1,0,0,0,0,0|2,0,1]=4 386 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [1,0,0,0,0,0|2,0,1]=4 387 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [1,0,0,0,0,0|1,0,1]=3 388 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [1,0,0,0,0,0|2,0,1]=4 389 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [1,0,0,0,0,0|2,0,1]=4 390 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [1,0,0,0,0,0|2,0,1]=4 391 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [1,0,0,0,0,0|2,0,1]=4 392 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,0,0,0,0,0|1,0,0]=2 393 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,0,0,0,0,0|1,0,0]=2 394 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [1,0,0,0,0,0|2,0,0]=3 395 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,0,0,0,0,0|2,0,0]=3 396 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,0,0,0,0,0|2,0,0]=3 397 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,0,0,0,0,0|2,0,0]=3 398 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,0,0,0,0,0|2,0,0]=3 399 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,0,0,0,0,0|2,0,0]=3 400 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [1,0,0,0,0,0|3,0,0]=4 401 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [1,0,0,0,0,0|3,0,0]=4 402 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [1,0,0,0,0,0|3,0,0]=4 403 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [1,0,0,0,0,0|3,0,0]=4 404 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [1,0,0,0,0,0|1,0,0]=2 405 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [1,0,0,0,0,0|1,0,0]=2 406 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [1,0,0,0,0,0|1,0,0]=2 407 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [1,0,0,0,0,0|1,0,0]=2 408 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [1,0,0,0,0,0|2,0,0]=3 409 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [1,0,0,0,0,0|2,0,0]=3 410 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [1,0,0,0,0,0|2,0,0]=3 411 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [1,0,0,0,0,0|2,0,0]=3 412 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [1,0,0,0,0,0|2,0,0]=3 413 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [1,0,0,0,0,0|2,0,0]=3 414 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [1,0,0,0,0,0|2,0,0]=3 415 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [1,0,0,0,0,0|2,0,0]=3 416 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [1,0,0,0,0,0|2,0,1]=4 417 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [1,0,0,0,0,0|2,0,1]=4 418 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [1,0,0,0,0,0|2,0,1]=4 419 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [1,0,0,0,0,0|1,0,1]=3 420 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [1,0,0,0,0,0|1,0,1]=3 421 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [1,0,0,0,0,0|1,0,1]=3 422 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [1,0,0,0,0,0|2,0,1]=4 423 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [1,0,0,0,0,0|2,0,1]=4 424 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [1,0,0,0,0,0|2,0,1]=4 425 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [1,0,0,0,0,0|2,0,1]=4 426 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [1,0,0,0,0,0|2,0,1]=4 427 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [1,0,0,0,0,0|1,1,1]=4 428 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [1,0,0,0,0,0|1,1,1]=4 429 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [1,0,0,0,0,0|3,0,0]=4 430 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [1,0,0,0,0,0|2,0,0]=3 431 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [1,0,0,0,0,0|3,0,0]=4 432 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [1,0,0,0,0,0|3,0,0]=4 433 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [1,0,0,0,0,0|3,0,0]=4 434 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [1,0,0,0,0,0|3,0,0]=4 435 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [1,0,0,0,0,0|2,0,0]=3 436 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [1,0,0,0,0,0|2,0,0]=3 437 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [1,0,0,0,0,0|3,0,0]=4 438 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [1,0,0,0,0,0|3,0,0]=4 439 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [1,0,0,0,0,0|3,0,0]=4 440 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [1,0,0,0,0,0|3,0,0]=4 441 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [1,0,0,0,0,0|3,0,0]=4 442 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [1,0,0,0,0,0|3,0,0]=4 443 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [1,0,0,0,0,0|3,0,0]=4 444 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [1,0,0,0,0,0|3,0,0]=4 445 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [1,0,0,0,0,0|2,0,0]=3 446 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [1,0,0,0,0,0|2,0,0]=3 447 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [1,0,0,0,0,0|2,0,0]=3 448 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [1,0,0,0,0,0|3,0,0]=4 449 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [1,0,0,0,0,0|3,0,0]=4 450 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [1,0,0,0,0,0|3,0,0]=4 451 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [1,0,0,0,0,0|3,0,0]=4 452 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [1,0,0,0,0,0|3,0,0]=4 453 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [1,0,0,0,0,0|3,0,0]=4 454 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [1,0,0,0,0,0|3,0,0]=4 455 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [1,0,0,0,0,0|3,0,0]=4 456 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [1,0,0,0,0,0|3,0,0]=4 457 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [1,0,0,0,0,0|3,0,0]=4 458 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [1,0,0,0,0,0|3,0,0]=4 459 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [1,0,0,0,0,0|3,0,0]=4 460 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [1,0,0,0,0,0|3,0,0]=4 461 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [1,0,0,0,0,0|2,0,1]=4 462 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [1,0,0,0,0,0|2,0,0]=3 463 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [1,0,0,0,0,0|2,0,0]=3 464 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [1,0,0,0,0,0|3,0,0]=4 465 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [1,0,0,0,0,0|3,0,0]=4 466 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [1,0,0,0,0,0|3,0,0]=4 467 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [1,0,0,0,0,0|3,0,0]=4 468 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [1,0,0,0,0,0|3,0,0]=4 469 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [1,0,0,0,0,0|3,0,0]=4 470 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [1,0,0,0,0,0|3,0,0]=4 471 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [1,0,0,0,0,0|3,0,0]=4 472 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [1,0,0,0,0,0|3,0,0]=4 473 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [1,0,0,0,0,0|2,0,0]=3 474 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [1,0,0,0,0,0|2,0,0]=3 475 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [1,0,0,0,0,0|3,0,0]=4 476 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [1,0,0,0,0,0|3,0,0]=4 477 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [1,0,0,0,0,0|3,0,0]=4 478 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [1,0,0,0,0,0|3,0,0]=4 479 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [1,0,0,0,0,0|3,0,0]=4 480 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [1,0,0,0,0,0|3,0,0]=4 481 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [1,0,0,0,0,0|3,0,0]=4 482 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [1,0,0,0,0,0|3,0,0]=4 483 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [1,0,0,0,0,0|3,0,0]=4 484 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [1,0,0,0,0,0|3,0,0]=4 485 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [1,0,0,0,0,0|2,0,0]=3 486 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [1,0,0,0,0,0|3,0,0]=4 487 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [1,0,0,0,0,0|3,0,0]=4 488 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [1,0,0,0,0,0|3,0,0]=4 489 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [1,0,0,0,0,0|3,0,0]=4 490 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [1,0,0,0,0,0|3,0,0]=4 491 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [1,0,0,0,0,0|3,0,0]=4 492 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [1,0,0,0,0,0|3,0,0]=4 493 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [1,0,0,0,0,0|3,0,0]=4 494 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [1,0,0,0,0,0|3,0,0]=4 495 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [1,0,0,0,0,0|3,0,0]=4 496 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [1,0,0,0,0,0|3,0,0]=4 497 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [1,0,0,0,0,0|3,0,0]=4 498 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [1,0,0,0,0,0|3,0,0]=4 499 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [1,0,0,0,0,0|3,0,0]=4 500 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [1,0,0,0,0,0|3,0,0]=4 501 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [1,0,0,0,0,0|3,0,0]=4 502 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [1,0,0,0,0,0|3,0,0]=4 503 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [1,0,0,0,0,0|3,0,0]=4 504 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [1,0,0,0,0,0|3,0,0]=4 505 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [1,0,0,0,0,0|3,0,0]=4 506 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [1,0,0,0,0,0|3,0,0]=4 507 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [1,0,0,0,0,0|3,0,0]=4 508 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [1,0,0,0,0,0|3,0,0]=4 509 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [1,0,0,0,0,0|3,0,0]=4 510 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [1,0,0,0,0,0|3,0,0]=4 511 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [1,0,0,0,0,0|3,0,0]=4 512 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [1,0,0,0,0,0|3,0,0]=4 513 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [1,0,0,0,0,0|3,0,0]=4 514 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [1,0,0,0,0,0|3,0,0]=4 515 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [1,0,0,0,0,0|3,0,0]=4 516 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [1,0,0,0,0,0|3,0,0]=4 517 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [1,0,0,0,0,0|3,0,0]=4 518 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [1,0,0,0,0,0|3,0,0]=4 519 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [1,0,0,0,0,0|3,0,0]=4 520 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [1,0,0,0,0,0|3,0,0]=4 521 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [1,0,0,0,0,0|3,0,0]=4 522 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [1,0,0,0,0,0|2,0,0]=3 523 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [1,0,0,0,0,0|2,0,0]=3 524 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [1,0,0,0,0,0|2,0,0]=3 525 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [1,0,0,0,0,0|2,0,0]=3 526 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [1,0,0,0,0,0|2,0,0]=3 527 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [1,0,0,0,0,0|3,0,0]=4 528 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [1,0,0,0,0,0|3,0,0]=4 529 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [1,0,0,0,0,0|3,0,0]=4 530 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [1,0,0,0,0,0|3,0,0]=4 531 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [1,0,0,0,0,0|3,0,0]=4 532 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [1,0,0,0,0,0|3,0,0]=4 533 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [1,0,0,0,0,0|3,0,0]=4 534 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [1,0,0,0,0,0|3,0,0]=4 535 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [1,0,0,0,0,0|3,0,0]=4 536 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [1,0,0,0,0,0|2,0,0]=3 537 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [1,0,0,0,0,0|2,0,0]=3 538 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [1,0,0,0,0,0|3,0,0]=4 539 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [1,0,0,0,0,0|3,0,0]=4 540 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [1,0,0,0,0,0|3,0,0]=4 541 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [1,0,0,0,0,0|3,0,0]=4 542 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [1,0,0,0,0,0|3,0,0]=4 543 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [1,0,0,0,0,0|2,0,0]=3 544 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [1,0,0,0,0,0|3,0,0]=4 545 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [1,0,0,0,0,0|3,0,0]=4 546 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [1,0,0,0,0,0|3,0,0]=4 547 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [1,0,0,0,0,0|3,0,0]=4 548 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [1,0,0,0,0,0|3,0,0]=4 549 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [1,0,0,0,0,0|3,0,0]=4 550 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [1,0,0,0,0,0|3,0,0]=4 551 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [1,0,0,0,0,0|2,0,0]=3 552 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [1,0,0,0,0,0|3,0,0]=4 553 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [1,0,0,0,0,0|3,0,0]=4 554 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [1,0,0,0,0,0|3,0,0]=4 555 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [1,0,0,0,0,0|3,0,0]=4 556 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [1,0,0,0,0,0|3,0,0]=4 557 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,0,0,0,0,0|3,0,0]=4 558 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [1,0,0,0,0,0|3,0,0]=4 559 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [1,0,0,0,0,0|3,0,0]=4 560 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [1,0,0,0,0,0|3,0,0]=4 561 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [1,0,0,0,0,0|3,0,0]=4 562 B8R0.7 C#CCOCCC(C)C 34a_100000210247_100000210312 [1,0,0,0,0,0|0,0,3]=4 563 B8R0.7 C#CCOCCC(C)C 34a_100000210254_100000184674 [1,0,0,0,0,0|0,0,3]=4 564 B8R0.7 C#CCOCCC(C)C 7a_100000210254_100000038162 [1,0,0,0,0,0|0,0,3]=4 565 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [1,0,0,0,0,0|2,0,1]=4 566 B8R0.7 C/C=C/CNCC(C)C 34a_100000210953_100102629194 [1,0,0,0,0,0|2,0,1]=4 567 B8R0.7 C/C=C/COCC(C)C 34a_100000210257_100102629194 [1,0,0,0,0,0|2,0,1]=4 568 B8R0.7 C/C=C/COCC(C)C 34a_100016270725_100000210624 [1,0,0,0,0,0|2,0,1]=4 569 B8R0.7 C/C=C/CSCC(C)C 62a_100000210624_100102629194 [1,0,0,0,0,0|2,0,1]=4 570 B8R0.7 C/C=C/CSCC(C)C 62a_100102629194_100000210760 [1,0,0,0,0,0|2,0,1]=4 571 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,0,0,0,0,0|0,0,3]=4 572 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,0,0,0,0,0|0,0,3]=4 573 B8R0.7 C=CCOCCC(C)C 34a_100000210254_100015514636 [1,0,0,0,0,0|0,0,3]=4 574 B8R0.7 C=CCOCCC(C)C 34a_200000210373_100000210312 [1,0,0,0,0,0|0,0,3]=4 575 B8R0.7 C=CCOCCC(C)C 7a_100000210254_100015514636 [1,0,0,0,0,0|0,0,3]=4 576 B8R0.7 CC(Br)CCOCCF 34a_100009893172_100011217306 [1,0,0,0,0,0|2,0,1]=4 577 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [1,0,0,0,0,0|2,0,1]=4 578 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [1,0,0,0,0,0|2,0,1]=4 579 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [1,0,0,0,0,0|2,0,1]=4 580 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,0,0,0,0,0|2,0,1]=4 581 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,0,0,0,0,0|2,0,1]=4 582 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [1,0,0,0,0,0|3,0,0]=4 583 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [1,0,0,0,0,0|3,0,0]=4 584 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [1,0,0,0,0,0|3,0,0]=4 585 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [1,0,0,0,0,0|3,0,0]=4 586 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [1,0,0,0,0,0|3,0,0]=4 587 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [1,0,0,0,0,0|2,0,1]=4 588 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [1,0,0,0,0,0|2,0,1]=4 589 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [1,0,0,0,0,0|2,0,1]=4 590 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [1,0,0,0,0,0|2,0,1]=4 591 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [1,0,0,0,0,0|2,0,1]=4 592 B8R0.7 CC(C)CCOCC#N 7a_100000210254_100011215382 [1,0,0,0,0,0|1,0,2]=4 593 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [1,0,0,0,0,0|1,0,2]=4 594 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [1,0,0,0,0,0|1,0,2]=4 595 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [1,0,0,0,0,0|1,0,1]=3 596 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [1,0,0,0,0,0|1,0,1]=3 597 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [1,0,0,0,0,0|1,0,1]=3 598 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [1,0,0,0,0,0|1,0,1]=3 599 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [1,0,0,0,0,0|1,0,1]=3 600 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [1,0,0,0,0,0|1,0,1]=3 601 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [1,0,0,0,0,0|1,1,1]=4 602 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [1,0,0,0,0,0|1,1,1]=4 603 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [1,0,0,0,0,0|1,1,1]=4 604 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [1,0,0,0,0,0|1,1,1]=4 605 B8R0.7 CC(C)OCOCCBr 34a_100000211926_100000709892 [1,0,0,0,0,0|2,0,1]=4 606 B8R0.7 CC(C)OCOCCN 34a_100000210304_100000709892 [1,0,0,0,0,0|2,0,1]=4 607 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [1,0,0,0,0,0|2,0,1]=4 608 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [1,0,0,0,0,0|2,0,1]=4 609 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,0,0,0,0,0|2,0,1]=4 610 B8R0.7 CC/C=C\CCN(C)C 2230a_100102631434_100015370543 [1,0,0,0,0,0|2,0,0]=3 611 B8R0.7 CC/C=C\CCN(C)C 269982a_100102631434_100015370543 [1,0,0,0,0,0|2,0,0]=3 612 B8R0.7 CC/C=C\CNC(C)C 2230a_100138425928_100103147603 [1,0,0,0,0,0|2,0,0]=3 613 B8R0.7 CC/C=C\CNC(C)C 34a_100138425928_100103147603 [1,0,0,0,0,0|2,0,0]=3 614 B8R0.7 CC/C=C\COC(C)C 34a_100000212225_100103147603 [1,0,0,0,0,0|2,0,0]=3 615 B8R0.7 CC/C=C\COC(C)C 34a_100016268518_100000210206 [1,0,0,0,0,0|2,0,0]=3 616 B8R0.7 CC/C=C\CSC(C)C 62a_100000210206_100103147603 [1,0,0,0,0,0|2,0,0]=3 617 B8R0.7 CC/C=C\CSC(C)C 62a_100103147603_100000210206 [1,0,0,0,0,0|2,0,0]=3 618 B8R0.7 CC=CCNCC(C)C 2230a_100000210953_100000070051 [1,0,0,0,0,0|2,0,1]=4 619 B8R0.7 CC=CCNCC(C)C 34a_100000210953_100000070051 [1,0,0,0,0,0|2,0,1]=4 620 B8R0.7 CC=CCOCC(C)C 34a_100000210257_100000070051 [1,0,0,0,0,0|2,0,1]=4 621 B8R0.7 CC=CCSCC(C)C 62a_100000070051_100000210760 [1,0,0,0,0,0|2,0,1]=4 622 B8R0.7 CC=CCSCC(C)C 62a_100000210624_100000070051 [1,0,0,0,0,0|2,0,1]=4 623 B8R0.7 CCC#CCNC(C)C 2230a_100138425928_100009813939 [1,0,0,0,0,0|2,0,1]=4 624 B8R0.7 CCC#CCNC(C)C 34a_100138425928_100009813939 [1,0,0,0,0,0|2,0,1]=4 625 B8R0.7 CCC#CCOC(C)C 34a_100000032950_100000210206 [1,0,0,0,0,0|2,0,1]=4 626 B8R0.7 CCC#CCOC(C)C 34a_100000212225_100009813939 [1,0,0,0,0,0|2,0,1]=4 627 B8R0.7 CCC#CCSC(C)C 62a_100000210206_100009813939 [1,0,0,0,0,0|2,0,1]=4 628 B8R0.7 CCC#CCSC(C)C 62a_100009813939_100000210206 [1,0,0,0,0,0|2,0,1]=4 629 B8R0.7 CCC=NNCC(C)O 4a_200000730056_100000210100 [1,0,0,0,0,0|3,0,0]=4 630 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [1,0,0,0,0,0|2,0,1]=4 631 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [1,0,0,0,0,0|2,0,1]=4 632 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [1,0,0,0,0,0|2,0,1]=4 633 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [1,0,0,0,0,0|2,0,1]=4 634 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [1,0,0,0,0,0|2,0,1]=4 635 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [1,0,0,0,0,0|2,0,1]=4 636 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [1,0,0,0,0,0|2,0,1]=4 637 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [1,0,0,0,0,0|2,0,1]=4 638 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [1,0,0,0,0,0|2,0,1]=4 639 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,0,0,0,0,0|2,0,1]=4 640 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,0,0,0,0,0|2,0,1]=4 641 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,0,0,0,0,0|2,0,1]=4 642 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [1,0,0,0,0,0|2,0,1]=4 643 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [1,0,0,0,0,0|2,0,1]=4 644 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [1,0,0,0,0,0|2,0,1]=4 645 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [1,0,0,0,0,0|2,0,1]=4 646 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [1,0,0,0,0,0|2,0,1]=4 647 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [1,0,0,0,0,0|2,0,1]=4 648 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [1,0,0,0,0,0|2,0,1]=4 649 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [1,0,0,0,0,0|2,0,1]=4 650 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [1,0,0,0,0,0|2,0,1]=4 651 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [1,0,0,0,0,0|2,0,1]=4 652 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [1,0,0,0,0,0|2,0,1]=4 653 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [1,0,0,0,0,0|2,0,1]=4 654 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [1,0,0,0,0,0|1,0,1]=3 655 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,0,0,0,0,0|2,0,1]=4 656 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [1,0,0,0,0,0|0,0,3]=4 657 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [1,0,0,0,0,0|0,0,3]=4 658 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,0,0,0,0,0|1,0,2]=4 659 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,0,0,0,0,0|1,0,2]=4 660 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,0,0,0,0,0|1,0,2]=4 661 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [1,0,0,0,0,0|1,0,1]=3 662 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [1,0,0,0,0,0|0,0,1]=2 663 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [1,0,0,0,0,0|0,0,1]=2 664 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [1,0,0,0,0,0|0,0,1]=2 665 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,0,0,0,0,0|1,0,1]=3 666 B8R0.7 CCCOCCC(F)F 34a_100103093639_100000210303 [1,0,0,0,0,0|2,0,1]=4 667 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [1,0,0,0,0,0|1,0,1]=3 668 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [1,0,0,0,0,0|1,0,1]=3 669 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [1,0,0,0,0,0|1,0,1]=3 670 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [1,0,0,0,0,0|1,0,1]=3 671 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [1,0,0,0,0,0|0,1,1]=3 672 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [1,0,0,0,0,0|0,1,1]=3 673 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,0,0,0,0,0|1,1,1]=4 674 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,0,0,0,0,0|1,1,1]=4 675 B8R0.7 CCCSCCN(C)C 62a_100000210303_100000755713 [1,0,0,0,0,0|1,1,1]=4 676 B8R0.7 CCCSCOC(C)C 62a_100000210303_100000709892 [1,0,0,0,0,0|1,1,1]=4 677 B8R0.7 CCCSCOC(C)C 62a_100000709892_100000210303 [1,0,0,0,0,0|1,1,1]=4 678 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [1,0,0,0,0,0|2,0,0]=3 679 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [1,0,0,0,0,0|2,0,0]=3 680 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [1,0,0,0,0,0|2,0,0]=3 681 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [1,0,0,0,0,0|3,0,0]=4 682 B8R0.7 CCNCCOC(C)C 2230a_100000701111_100000210202 [1,0,0,0,0,0|3,0,0]=4 683 B8R0.7 CCNCCOC(C)C 2230a_100015525214_100000211751 [1,0,0,0,0,0|3,0,0]=4 684 B8R0.7 CCNCCOC(C)C 34a_100000701111_100000210202 [1,0,0,0,0,0|3,0,0]=4 685 B8R0.7 CCNCCSC(C)C 2230a_100000731138_100000210202 [1,0,0,0,0,0|3,0,0]=4 686 B8R0.7 CCNCCSC(C)C 2230a_100015525214_100000730970 [1,0,0,0,0,0|3,0,0]=4 687 B8R0.7 CCNCCSC(C)C 34a_100000731138_100000210202 [1,0,0,0,0,0|3,0,0]=4 688 B8R0.7 CCNN=CCC(C)C 4a_100000756455_100000185833 [1,0,0,0,0,0|2,0,1]=4 689 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [1,0,0,0,0,0|2,0,0]=3 690 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [1,0,0,0,0,0|2,0,0]=3 691 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [1,0,0,0,0,0|2,0,0]=3 692 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,0,0,0,0,0|3,0,0]=4 693 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [1,0,0,0,0,0|3,0,0]=4 694 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [1,0,0,0,0,0|3,0,0]=4 695 B8R0.7 CCOCCNC(C)C 2230a_100138425928_100011215890 [1,0,0,0,0,0|3,0,0]=4 696 B8R0.7 CCOCCNC(C)C 2230a_102516460346_100000210206 [1,0,0,0,0,0|3,0,0]=4 697 B8R0.7 CCOCCNC(C)C 34a_100000224655_100000210202 [1,0,0,0,0,0|3,0,0]=4 698 B8R0.7 CCOCCNC(C)C 34a_100138425928_100000210147 [1,0,0,0,0,0|3,0,0]=4 699 B8R0.7 CCOCCNC(C)C 34a_102516460346_100000210206 [1,0,0,0,0,0|3,0,0]=4 700 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [1,0,0,0,0,0|3,0,0]=4 701 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [1,0,0,0,0,0|3,0,0]=4 702 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [1,0,0,0,0,0|3,0,0]=4 703 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [1,0,0,0,0,0|3,0,0]=4 704 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [1,0,0,0,0,0|3,0,0]=4 705 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [1,0,0,0,0,0|3,0,0]=4 706 B8R0.7 CCOCCSC(C)C 34a_100121572206_100000730970 [1,0,0,0,0,0|3,0,0]=4 707 B8R0.7 CCOCCSC(C)C 34a_200011212901_100000210202 [1,0,0,0,0,0|3,0,0]=4 708 B8R0.7 CCOCCSC(C)C 62a_100000210147_100000210206 [1,0,0,0,0,0|3,0,0]=4 709 B8R0.7 CCOCCSC(C)C 62a_100000210206_100011215890 [1,0,0,0,0,0|3,0,0]=4 710 B8R0.7 CCOCCSC(C)C 7a_200011212901_100000210202 [1,0,0,0,0,0|3,0,0]=4 711 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [1,0,0,0,0,0|3,0,0]=4 712 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [1,0,0,0,0,0|3,0,0]=4 713 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [1,0,0,0,0,0|2,0,0]=3 714 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [1,0,0,0,0,0|2,0,0]=3 715 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [1,0,0,0,0,0|3,0,0]=4 716 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [1,0,0,0,0,0|3,0,0]=4 717 B8R0.7 CCSCCCN(C)C 62a_100000210202_100000757444 [1,0,0,0,0,0|3,0,0]=4 718 B8R0.7 CCSCCNC(C)C 2230a_100000106463_100000210206 [1,0,0,0,0,0|3,0,0]=4 719 B8R0.7 CCSCCNC(C)C 2230a_100138425928_100000757381 [1,0,0,0,0,0|3,0,0]=4 720 B8R0.7 CCSCCNC(C)C 34a_100138425928_100000757381 [1,0,0,0,0,0|3,0,0]=4 721 B8R0.7 CCSCCOC(C)C 34a_100000212035_100000210206 [1,0,0,0,0,0|3,0,0]=4 722 B8R0.7 CCSCCOC(C)C 34a_100000212225_100000757381 [1,0,0,0,0,0|3,0,0]=4 723 B8R0.7 CCSCCOC(C)C 62a_100000210202_100000211751 [1,0,0,0,0,0|3,0,0]=4 724 B8R0.7 CCSCCOC(C)C 62a_100000211751_100000210202 [1,0,0,0,0,0|3,0,0]=4 725 B8R0.7 CCSCCOC(C)C 7a_100000212035_100000210206 [1,0,0,0,0,0|3,0,0]=4 726 B8R0.7 CCSCCSC(C)C 62a_100000210202_100000730970 [1,0,0,0,0,0|3,0,0]=4 727 B8R0.7 CCSCCSC(C)C 62a_100000210206_100000757381 [1,0,0,0,0,0|3,0,0]=4 728 B8R0.7 CCSCCSC(C)C 62a_100000730970_100000210202 [1,0,0,0,0,0|3,0,0]=4 729 B8R0.7 CCSCCSC(C)C 62a_100000757381_100000210206 [1,0,0,0,0,0|3,0,0]=4 730 B8R0.7 CN(C)CCOCCO 2230a_100000228057_200000210301 [1,0,0,0,0,0|2,0,1]=4 731 B8R0.7 CN(C)CCOCCO 2230a_100102631434_100011215305 [1,0,0,0,0,0|2,0,1]=4 732 B8R0.7 CN(C)CCOCCO 269982a_100000228057_200000210301 [1,0,0,0,0,0|2,0,1]=4 733 B8R0.7 CN(C)CCOCCO 269982a_100102631434_100011215305 [1,0,0,0,0,0|2,0,1]=4 734 B8R0.7 CN([13CH3])CCOCCO 2230a_100000228057_200025704644 [1,0,0,0,0,0|2,0,1]=4 735 B8R0.7 CN([13CH3])CCOCCO 269982a_100000228057_200025704644 [1,0,0,0,0,0|2,0,1]=4 736 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [1,0,0,0,0,0|2,0,1]=4 737 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [1,0,0,0,0,0|2,0,1]=4 738 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [1,0,0,0,0,0|2,0,1]=4 739 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [1,0,0,0,0,0|2,0,1]=4 740 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [1,0,0,0,0,0|2,0,1]=4 741 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [1,0,0,0,0,0|2,0,1]=4 742 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [1,0,0,0,0,0|1,1,1]=4 743 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [1,0,0,0,0,0|1,1,1]=4 744 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,0,0,0,0,0|2,0,1]=4 745 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,0,0,0,0,0|2,0,1]=4 746 B8R0.7 CSCOCCC(C)Br 34a_100009893172_100011218213 [1,0,0,0,0,0|2,0,1]=4 747 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [1,0,0,0,0,0|1,0,1]=3 748 B8R0.7 CSCOCC[C@@H](C)N 34a_100000706166_100011218213 [1,0,0,0,0,0|2,0,1]=4 749 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [1,0,0,0,0,0|1,1,1]=4 750 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [1,0,0,0,0,0|1,1,1]=4 751 B8R0.7 C[C@@H](N)CCOCCF 34a_100000706166_100011217306 [1,0,0,0,0,0|2,0,1]=4 752 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [1,0,0,0,0,0|2,0,1]=4 753 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [1,0,0,0,0,0|3,0,0]=4 754 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [1,0,0,0,0,0|3,0,0]=4 755 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [1,0,0,0,0,0|3,0,0]=4 756 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [1,0,0,0,0,0|3,0,0]=4 757 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [1,0,0,0,0,0|3,0,0]=4 758 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [1,0,0,0,0,0|3,0,0]=4 759 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [1,0,0,0,0,0|3,0,0]=4 760 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [1,0,0,0,0,0|3,0,0]=4 761 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [1,0,0,0,0,0|3,0,0]=4 762 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [1,0,0,0,0,0|3,0,0]=4 763 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [1,0,0,0,0,0|3,0,0]=4 764 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [1,0,0,0,0,0|3,0,0]=4 765 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [1,0,0,0,0,0|3,0,0]=4 766 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [1,0,0,0,0,0|3,0,0]=4 767 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [1,0,0,0,0,0|3,0,0]=4 768 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [1,0,0,0,0,0|3,0,0]=4 769 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [1,0,0,0,0,0|3,0,0]=4 770 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [1,0,0,0,0,0|3,0,0]=4 771 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [1,0,0,0,0,0|3,0,0]=4 772 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [1,0,0,0,0,0|3,0,0]=4 773 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [1,0,0,0,0,0|3,0,0]=4 774 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [1,0,0,0,0,0|1,0,2]=4 775 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [1,0,0,0,0,0|2,0,1]=4 776 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [1,0,0,0,0,0|1,0,2]=4 777 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,0,0,0,0,0|2,0,1]=4 778 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,0,0,0,0,0|1,0,0]=2 779 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,0,0,0,0,0|1,0,0]=2 780 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,0,0,0,0,0|2,0,0]=3 781 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,0,0,0,0,0|2,0,0]=3 782 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,0,0,0,0,0|2,0,0]=3 783 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [1,0,0,0,0,0|2,0,1]=4 784 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [1,0,0,0,0,0|2,0,1]=4 785 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,0,0,0,0,0|1,0,1]=3 786 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [1,0,0,0,0,0|2,0,1]=4 787 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,0,0,0,0,0|2,0,0]=3 788 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,0,0,0,0,0|2,0,0]=3 789 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,0,0,0,0,0|2,0,0]=3 790 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [1,0,0,0,0,0|1,1,1]=4 791 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,0,0,0,0,0|2,0,0]=3 792 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,0,0,0,0,0|2,0,0]=3 793 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,0,0,0,0,0|2,0,0]=3 794 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,0,0,0,0,0|2,0,0]=3 795 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,0,0,0,0,0|2,0,0]=3 796 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [1,0,0,0,0,0|3,0,0]=4 797 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [1,0,0,0,0,0|3,0,0]=4 798 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [1,0,0,0,0,0|1,0,2]=4 799 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [1,0,0,0,0,0|1,0,2]=4 800 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [1,0,0,0,0,0|1,0,2]=4 801 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [1,0,0,0,0,0|2,0,1]=4 802 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,0,0,0,0,0|1,0,0]=2 803 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,0,0,0,0,0|1,0,0]=2 804 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,0,0,0,0,0|1,0,0]=2 805 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,0,0,0,0,0|1,0,0]=2 806 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,0,0,0,0,0|2,0,0]=3 807 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,0,0,0,0,0|2,0,0]=3 808 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [1,0,0,0,0,0|2,0,0]=3 809 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [1,0,0,0,0,0|2,0,0]=3 810 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [1,0,0,0,0,0|2,0,0]=3 811 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [1,0,0,0,0,0|2,0,0]=3 812 B8R0.28 CC(=O)NN=CC(C)C 4a_100000189765_100000210432 [1,0,0,0,0,0|2,0,1]=4 813 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [1,0,0,0,0,0|2,0,0]=3 814 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [1,0,0,0,0,0|3,0,0]=4 815 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [1,0,0,0,0,0|1,0,0]=2 816 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [1,0,0,0,0,0|1,0,0]=2 817 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [1,0,0,0,0,0|1,0,0]=2 818 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [1,0,0,0,0,0|1,0,0]=2 819 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [1,0,0,0,0,0|1,0,0]=2 820 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [1,0,0,0,0,0|1,1,1]=4 821 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [1,0,0,0,0,0|2,0,1]=4 822 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [1,0,0,0,0,0|1,0,2]=4 823 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,0,0,0,0,0|1,0,0]=2 824 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [1,0,0,0,0,0|3,0,0]=4 825 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [1,0,0,0,0,0|3,0,0]=4 826 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [1,0,0,0,0,0|2,0,1]=4 827 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [1,0,0,0,0,0|2,0,1]=4 828 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [1,0,0,0,0,0|1,0,1]=3 829 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [1,0,0,0,0,0|1,0,1]=3 830 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [1,0,0,0,0,0|1,0,1]=3 831 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [1,0,0,0,0,0|1,1,1]=4 832 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [1,0,0,0,0,0|1,1,1]=4 833 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [1,0,0,0,0,0|3,0,0]=4 834 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [1,0,0,0,0,0|3,0,0]=4 835 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [1,0,0,0,0,0|3,0,0]=4 836 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,0,0,0,0,0|3,0,0]=4 837 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [1,0,0,0,0,0|3,0,0]=4 838 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [1,0,0,0,0,0|3,0,0]=4 839 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,0,0,0,0,0|2,0,0]=3 840 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [1,0,0,0,0,0|3,0,0]=4 841 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [1,0,0,0,0,0|3,0,0]=4 842 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [1,0,0,0,0,0|3,0,0]=4 843 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [1,0,0,0,0,0|3,0,0]=4 844 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [1,0,0,0,0,0|3,0,0]=4 845 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [1,0,0,0,0,0|3,0,0]=4 846 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [1,0,0,0,0,0|3,0,0]=4 847 B8R0.28 CC(C)NCOC(C)C 2230a_100138425928_100000709892 [1,0,0,0,0,0|2,0,1]=4 848 B8R0.28 CC(C)NCOC(C)C 34a_100138425928_100000709892 [1,0,0,0,0,0|2,0,1]=4 849 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [1,0,0,0,0,0|3,0,0]=4 850 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [1,0,0,0,0,0|3,0,0]=4 851 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [1,0,0,0,0,0|3,0,0]=4 852 B8R0.28 CC(C)OCCN(C)C 2230a_100102631434_100000211751 [1,0,0,0,0,0|2,0,1]=4 853 B8R0.28 CC(C)OCCN(C)C 269982a_100102631434_100000211751 [1,0,0,0,0,0|2,0,1]=4 854 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [1,0,0,0,0,0|2,0,1]=4 855 B8R0.28 CC(C)OCOC(C)C 34a_100000212225_100000709892 [1,0,0,0,0,0|2,0,1]=4 856 B8R0.28 CC(C)OCSC(C)C 62a_100000210206_100000709892 [1,0,0,0,0,0|2,0,1]=4 857 B8R0.28 CC(C)OCSC(C)C 62a_100000709892_100000210206 [1,0,0,0,0,0|2,0,1]=4 858 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [1,0,0,0,0,0|3,0,0]=4 859 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [1,0,0,0,0,0|3,0,0]=4 860 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [1,0,0,0,0,0|2,0,1]=4 861 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [1,0,0,0,0,0|2,0,1]=4 862 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [1,0,0,0,0,0|3,0,0]=4 863 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,0,0,0,0,0|3,0,0]=4 864 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [1,0,0,0,0,0|3,0,0]=4 865 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [1,0,0,0,0,0|3,0,0]=4 866 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [1,0,0,0,0,0|2,0,0]=3 867 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,0,0,0,0,0|3,0,0]=4 868 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011216857_100000184674 [0,1,0,0,0,0|1,0,1]=3 869 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011220946_100011214892 [0,1,0,0,0,0|1,0,1]=3 870 B10R0.3 C#CCC(=O)CCCC(C)O 1458a_100011220946_200000718107 [0,1,0,0,0,0|2,0,1]=4 871 B10R0.3 C#CCC(=O)CCCN(C)C 1458a_100011220946_100000695564 [0,1,0,0,0,0|2,0,1]=4 872 B10R0.3 C#CCC(=O)CCOC(C)C 1458a_100011220946_100000211751 [0,1,0,0,0,0|2,0,1]=4 873 B10R0.3 C#CCC(=O)CCSC(C)C 1458a_100011220946_100000730970 [0,1,0,0,0,0|2,0,1]=4 874 B10R0.3 C#CCC(=O)COCC(C)C 1458a_100011223364_100000184674 [0,1,0,0,0,0|2,0,1]=4 875 B10R0.3 C#CCC(=O)NCCC(C)C 1626a_100000210545_100011220946 [0,1,0,0,0,0|1,0,1]=3 876 B10R0.3 C#CCC(=O)NCCC(C)C 527a_100000210545_100011220946 [0,1,0,0,0,0|1,0,1]=3 877 B10R0.3 C#CCC(=O)NCCC(C)O 527a_200000755665_100011220946 [0,1,0,0,0,0|2,0,1]=4 878 B10R0.3 C#CCC(=O)NCCN(C)C 527a_100000210585_100011220946 [0,1,0,0,0,0|2,0,1]=4 879 B10R0.3 C#CCC(C)OCCC(C)C 34a_100000685586_100000210312 [0,1,0,0,0,0|1,0,2]=4 880 B10R0.3 C#CCC(C)OCCC(C)C 7a_100000685586_100000210626 [0,1,0,0,0,0|1,0,2]=4 881 B10R0.3 C/C=C/C(C)OCCC(C)C 34a_200102604097_100000210312 [0,1,0,0,0,0|1,0,2]=4 882 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [0,1,0,0,0,0|1,0,1]=3 883 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [0,1,0,0,0,0|1,0,1]=3 884 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [0,1,0,0,0,0|2,0,1]=4 885 B10R0.3 C=CCC(=O)CCCN(C)C 1458a_100000210193_100000695564 [0,1,0,0,0,0|2,0,1]=4 886 B10R0.3 C=CCC(=O)CCOC(C)C 1458a_100000210193_100000211751 [0,1,0,0,0,0|2,0,1]=4 887 B10R0.3 C=CCC(=O)CCSC(C)C 1458a_100000210193_100000730970 [0,1,0,0,0,0|2,0,1]=4 888 B10R0.3 C=CCC(=O)COCC(C)C 1458a_100011223364_100000210623 [0,1,0,0,0,0|2,0,1]=4 889 B10R0.3 C=CCC(=O)NCCC(C)C 11a_100000210545_100000210193 [0,1,0,0,0,0|1,0,1]=3 890 B10R0.3 C=CCC(=O)NCCC(C)C 1626a_100000210545_100000210193 [0,1,0,0,0,0|1,0,1]=3 891 B10R0.3 C=CCC(=O)NCCC(C)C 240690a_100000210545_100000210193 [0,1,0,0,0,0|1,0,1]=3 892 B10R0.3 C=CCC(=O)NCCC(C)C 527a_100000210545_100000210193 [0,1,0,0,0,0|1,0,1]=3 893 B10R0.3 C=CCC(=O)NCCC(C)O 240690a_200000755665_100000210193 [0,1,0,0,0,0|2,0,1]=4 894 B10R0.3 C=CCC(=O)NCCC(C)O 527a_200000755665_100000210193 [0,1,0,0,0,0|2,0,1]=4 895 B10R0.3 C=CCC(=O)NCCN(C)C 240690a_100000210585_100000210193 [0,1,0,0,0,0|2,0,1]=4 896 B10R0.3 C=CCC(=O)NCCN(C)C 527a_100000210585_100000210193 [0,1,0,0,0,0|2,0,1]=4 897 B10R0.3 C=CCC(=O)NNCC(C)C 22a_100000696102_100000210193 [0,1,0,0,0,0|2,0,1]=4 898 B10R0.3 C=CC[C@@H](C)OCCC(C)C 34a_100000731007_100000210312 [0,1,0,0,0,0|1,0,2]=4 899 B10R0.3 C=CC[C@@H](C)OCCC(C)C 7a_100000731007_100000210626 [0,1,0,0,0,0|1,0,2]=4 900 B10R0.3 CC#CC(=O)CCCC(C)C 1458a_100000763181_100011214892 [0,1,0,0,0,0|1,0,1]=3 901 B10R0.3 CC#CC(=O)CCCC(C)O 1458a_100000763181_200000718107 [0,1,0,0,0,0|2,0,1]=4 902 B10R0.3 CC#CC(=O)CCCN(C)C 1458a_100000763181_100000695564 [0,1,0,0,0,0|2,0,1]=4 903 B10R0.3 CC#CC(=O)CCOC(C)C 1458a_100000763181_100000211751 [0,1,0,0,0,0|2,0,1]=4 904 B10R0.3 CC#CC(=O)CCSC(C)C 1458a_100000763181_100000730970 [0,1,0,0,0,0|2,0,1]=4 905 B10R0.3 CC#CC(=O)NNCC(C)C 22a_100000696102_100000763181 [0,1,0,0,0,0|2,0,1]=4 906 B10R0.3 CC#CC(C)OCCC(C)C 34a_100011216543_100000210312 [0,1,0,0,0,0|1,0,2]=4 907 B10R0.3 CC(=CCCC(=O)CCO)C 1458a_100011216618_100011217483 [0,1,0,0,0,0|1,0,2]=4 908 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,1,0,0,0,0|2,0,1]=4 909 B10R0.3 CC(Br)CCOC(C)CCO 34a_100009893172_100009893172 [0,1,0,0,0,0|2,0,1]=4 910 B10R0.3 CC(C)/C=C/CC(=O)CCF 1458a_100016292215_100011217306 [0,1,0,0,0,0|1,0,2]=4 911 B10R0.3 CC(C)/C=C/CC(=O)CCO 1458a_100016292215_100000211926 [0,1,0,0,0,0|1,0,2]=4 912 B10R0.3 CC(C)CCCC(=O)C=CBr 1458a_100016273825_100011214892 [0,1,0,0,0,0|1,0,2]=4 913 B10R0.3 CC(C)CCCC(=O)C=CCl 1458a_200016279998_100011214892 [0,1,0,0,0,0|1,0,2]=4 914 B10R0.3 CC(C)CCCC(=O)C=CI 1458a_100016256311_100011214892 [0,1,0,0,0,0|1,0,2]=4 915 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100011216857_100011214920 [0,1,0,0,0,0|1,0,1]=3 916 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100051588842_100011214892 [0,1,0,0,0,0|1,0,1]=3 917 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [0,1,0,0,0,0|1,0,0]=2 918 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [0,1,0,0,0,0|1,0,0]=2 919 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [0,1,0,0,0,0|1,0,0]=2 920 B10R0.3 CC(C)CCCN(C)CCO 2230a_100000210263_100011214892 [0,1,0,0,0,0|3,0,0]=4 921 B10R0.3 CC(C)CCCN(C)CCO 269982a_100000210263_100011214892 [0,1,0,0,0,0|3,0,0]=4 922 B10R0.3 CC(C)CCNC(=O)C=CBr 1626a_100000210545_100016273825 [0,1,0,0,0,0|1,0,2]=4 923 B10R0.3 CC(C)CCNC(=O)C=CBr 240690a_100000210545_100016273825 [0,1,0,0,0,0|1,0,2]=4 924 B10R0.3 CC(C)CCNC(=O)C=CCl 11a_100000210545_200016279998 [0,1,0,0,0,0|1,0,2]=4 925 B10R0.3 CC(C)CCNC(=O)C=CCl 1626a_100000210545_200016279998 [0,1,0,0,0,0|1,0,2]=4 926 B10R0.3 CC(C)CCNC(=O)C=CCl 240690a_100000210545_200016279998 [0,1,0,0,0,0|1,0,2]=4 927 B10R0.3 CC(C)CCNC(=O)C=CI 1626a_100000210545_100016256311 [0,1,0,0,0,0|1,0,2]=4 928 B10R0.3 CC(C)CCNC(=O)CC#N 1626a_100000210545_100051588842 [0,1,0,0,0,0|1,0,1]=3 929 B10R0.3 CC(C)CCNC(=O)CC#N 240690a_100000210545_100051588842 [0,1,0,0,0,0|1,0,1]=3 930 B10R0.3 CC(C)CCNC(=O)CCO 240690a_100000210545_100011216618 [0,1,0,0,0,0|1,0,0]=2 931 B10R0.3 CC(C)CCN[C@H](C)CCO 2230a_100000706166_100000210312 [0,1,0,0,0,0|2,0,1]=4 932 B10R0.3 CC(C)CCN[C@H](C)CCO 269862a_100000706166_100000185833 [0,1,0,0,0,0|2,0,1]=4 933 B10R0.3 CC(C)CCN[C@H](C)CCO 34a_100000706166_100000210312 [0,1,0,0,0,0|2,0,1]=4 934 B10R0.3 CC(C)CCOC(C)CC#N 7a_100000210254_100009813641 [0,1,0,0,0,0|1,0,2]=4 935 B10R0.3 CC(C)CCOC(C)CCBr 34a_100012276601_100000210312 [0,1,0,0,0,0|1,0,1]=3 936 B10R0.3 CC(C)CCOC(C)CCO 34a_100000210254_100009893172 [0,1,0,0,0,0|1,0,1]=3 937 B10R0.3 CC(C)CCOC(C)CCO 7a_100000210254_100009893172 [0,1,0,0,0,0|1,0,1]=3 938 B10R0.3 CC(C)CCSC(C)CCO 62a_100000210312_100009893172 [0,1,0,0,0,0|1,1,1]=4 939 B10R0.3 CC(C)CCSC(C)CCO 62a_100009893172_100000210312 [0,1,0,0,0,0|1,1,1]=4 940 B10R0.3 CC(C)CNCC(=O)NCO 2230a_100000210953_100000185155 [0,1,0,0,0,0|3,0,0]=4 941 B10R0.3 CC(C)CNCC(=O)NCO 34a_100000210953_100000185155 [0,1,0,0,0,0|3,0,0]=4 942 B10R0.3 CC(C)CNNC(=O)CC#N 22a_100000696102_100051588842 [0,1,0,0,0,0|2,0,1]=4 943 B10R0.3 CC(C)CNNC(=O)CCO 22a_100000696102_100011216618 [0,1,0,0,0,0|2,0,0]=3 944 B10R0.3 CC(C)COCC(=O)CC#N 1458a_100011223364_100011214920 [0,1,0,0,0,0|2,0,1]=4 945 B10R0.3 CC(C)COCC(=O)CCF 1458a_100011223364_100011217306 [0,1,0,0,0,0|2,0,0]=3 946 B10R0.3 CC(C)COCC(=O)CCO 1458a_100011223364_100000211926 [0,1,0,0,0,0|2,0,0]=3 947 B10R0.3 CC(C)COCC(=O)NCO 34a_100000210257_100000185155 [0,1,0,0,0,0|3,0,0]=4 948 B10R0.3 CC(C)CSCC(=O)NCO 62a_100000185155_100000210760 [0,1,0,0,0,0|3,0,0]=4 949 B10R0.3 CC(C)CSCC(=O)NCO 62a_100000210624_100000185155 [0,1,0,0,0,0|3,0,0]=4 950 B10R0.3 CC(C)OCCC(=O)CC#N 1458a_100051588842_100000211751 [0,1,0,0,0,0|2,0,1]=4 951 B10R0.3 CC(C)OCCC(=O)CCO 1458a_100011216618_100000211751 [0,1,0,0,0,0|2,0,0]=3 952 B10R0.3 CC(C)OCOC(C)CCBr 34a_100012276601_100000709892 [0,1,0,0,0,0|2,0,1]=4 953 B10R0.3 CC(C)SCCC(=O)CC#N 1458a_100051588842_100000730970 [0,1,0,0,0,0|2,0,1]=4 954 B10R0.3 CC(C)SCCC(=O)CCO 1458a_100011216618_100000730970 [0,1,0,0,0,0|2,0,0]=3 955 B10R0.3 CC(CCO)OCC[C@@H](C)N 34a_100000706166_100009893172 [0,1,0,0,0,0|2,0,1]=4 956 B10R0.3 CC(O)CCCC(=O)CC#N 1458a_100051588842_200000718107 [0,1,0,0,0,0|2,0,1]=4 957 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [0,1,0,0,0,0|2,0,0]=3 958 B10R0.3 CC(O)CCNC(=O)CC#N 240690a_200000755665_100051588842 [0,1,0,0,0,0|2,0,1]=4 959 B10R0.3 CC(O)CCNC(=O)CCO 240690a_200000755665_100011216618 [0,1,0,0,0,0|2,0,0]=3 960 B10R0.3 CC(O)CCOC(C)CCBr 34a_100012276601_100012276601 [0,1,0,0,0,0|2,0,1]=4 961 B10R0.3 CC(O)CNNC(=O)CCO 22a_200000730056_100011216618 [0,1,0,0,0,0|3,0,0]=4 962 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [0,1,0,0,0,0|1,0,1]=3 963 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [0,1,0,0,0,0|2,0,1]=4 964 B10R0.3 CC=CC(=O)CCCN(C)C 1458a_100000210699_100000695564 [0,1,0,0,0,0|2,0,1]=4 965 B10R0.3 CC=CC(=O)CCOC(C)C 1458a_100000210699_100000211751 [0,1,0,0,0,0|2,0,1]=4 966 B10R0.3 CC=CC(=O)CCSC(C)C 1458a_100000210699_100000730970 [0,1,0,0,0,0|2,0,1]=4 967 B10R0.3 CC=CC(=O)NCCC(C)C 11a_100000210545_100000210699 [0,1,0,0,0,0|1,0,1]=3 968 B10R0.3 CC=CC(=O)NCCC(C)C 1626a_100000210545_100000210699 [0,1,0,0,0,0|1,0,1]=3 969 B10R0.3 CC=CC(=O)NCCC(C)C 240690a_100000210545_100000210699 [0,1,0,0,0,0|1,0,1]=3 970 B10R0.3 CC=CC(=O)NCCC(C)O 240690a_200000755665_100000210699 [0,1,0,0,0,0|2,0,1]=4 971 B10R0.3 CC=CC(=O)NCCN(C)C 240690a_100000210585_100000210699 [0,1,0,0,0,0|2,0,1]=4 972 B10R0.3 CC=CC(=O)NNCC(C)C 22a_100000696102_100000210699 [0,1,0,0,0,0|2,0,1]=4 973 B10R0.3 CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210303 [0,1,0,0,0,0|1,0,2]=4 974 B10R0.3 CCCC(=O)C=CCN(C)C 1458a_100000754359_100000210303 [0,1,0,0,0,0|2,0,1]=4 975 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,1,0,0,0,0|1,0,2]=4 976 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,1,0,0,0,0|2,0,1]=4 977 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,1,0,0,0,0|1,0,0]=2 978 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,1,0,0,0,0|1,0,0]=2 979 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,1,0,0,0,0|2,0,0]=3 980 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [0,1,0,0,0,0|2,0,0]=3 981 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [0,1,0,0,0,0|2,0,0]=3 982 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [0,1,0,0,0,0|2,0,0]=3 983 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [0,1,0,0,0,0|2,0,0]=3 984 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [0,1,0,0,0,0|3,0,0]=4 985 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [0,1,0,0,0,0|2,0,0]=3 986 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [0,1,0,0,0,0|2,0,0]=3 987 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [0,1,0,0,0,0|2,0,0]=3 988 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [0,1,0,0,0,0|3,0,0]=4 989 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [0,1,0,0,0,0|3,0,0]=4 990 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [0,1,0,0,0,0|3,0,0]=4 991 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [0,1,0,0,0,0|3,0,0]=4 992 B10R0.3 CCCC(=O)NCC=C(C)C 11a_100000718196_100000211992 [0,1,0,0,0,0|1,0,2]=4 993 B10R0.3 CCCC(=O)NCC=C(C)C 1626a_100000718196_100000211992 [0,1,0,0,0,0|1,0,2]=4 994 B10R0.3 CCCC(=O)NCC=C(C)C 527a_100000718196_100000211992 [0,1,0,0,0,0|1,0,2]=4 995 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [0,1,0,0,0,0|1,0,0]=2 996 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [0,1,0,0,0,0|1,0,0]=2 997 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [0,1,0,0,0,0|1,0,0]=2 998 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [0,1,0,0,0,0|1,0,0]=2 999 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [0,1,0,0,0,0|2,0,0]=3 1000 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [0,1,0,0,0,0|2,0,0]=3 1001 B10R0.3 CCCC(=O)NCCN(C)C 240690a_100000210585_100000211992 [0,1,0,0,0,0|2,0,0]=3 1002 B10R0.3 CCCC(=O)NCCN(C)C 527a_100000210585_100000211992 [0,1,0,0,0,0|2,0,0]=3 1003 B10R0.3 CCCC(=O)NN=CC(C)C 4a_100000189770_100000210432 [0,1,0,0,0,0|2,0,1]=4 1004 B10R0.3 CCCC(=O)NNCC(C)C 22a_100000696102_100000211992 [0,1,0,0,0,0|2,0,0]=3 1005 B10R0.3 CCCC(=O)NNCC(C)O 22a_200000730056_100000211992 [0,1,0,0,0,0|3,0,0]=4 1006 B10R0.3 CCCC(=O)OCNC(C)C 2230a_100138425928_100000034017 [0,1,0,0,0,0|1,0,0]=2 1007 B10R0.3 CCCC(=O)OCNC(C)C 34a_100138425928_100000034017 [0,1,0,0,0,0|1,0,0]=2 1008 B10R0.3 CCCC(=O)OCOC(C)C 34a_100000212225_100000034017 [0,1,0,0,0,0|1,0,0]=2 1009 B10R0.3 CCCC(=O)OCSC(C)C 62a_100000210206_100000034017 [0,1,0,0,0,0|1,0,0]=2 1010 B10R0.3 CCCC(C)NCCC(C)C 2230a_100000741246_100000210312 [0,1,0,0,0,0|2,0,1]=4 1011 B10R0.3 CCCC(C)NCCC(C)C 269862a_100000741246_100000185833 [0,1,0,0,0,0|2,0,1]=4 1012 B10R0.3 CCCC(C)NCCC(C)C 270004a_100000210545_100000211909 [0,1,0,0,0,0|2,0,1]=4 1013 B10R0.3 CCCC(C)OCCC(C)Br 34a_100009893172_100000766640 [0,1,0,0,0,0|2,0,1]=4 1014 B10R0.3 CCCC(C)OCCC(C)C 34a_100000210254_100000766640 [0,1,0,0,0,0|1,0,1]=3 1015 B10R0.3 CCCC(C)OCCC(C)C 34a_100000764384_100000210312 [0,1,0,0,0,0|1,0,1]=3 1016 B10R0.3 CCCC(C)OCCC(C)C 7a_100000210254_100000766640 [0,1,0,0,0,0|1,0,1]=3 1017 B10R0.3 CCCC(C)OCCC(C)C 7a_100000764384_100000210626 [0,1,0,0,0,0|1,0,1]=3 1018 B10R0.3 CCCC(C)OCCC(C)O 34a_100000764384_100012276601 [0,1,0,0,0,0|2,0,1]=4 1019 B10R0.3 CCCC(C)OCCC(C)O 7a_100000764384_100012276601 [0,1,0,0,0,0|2,0,1]=4 1020 B10R0.3 CCCC(C)OCCN(C)C 7a_100000764384_100000755713 [0,1,0,0,0,0|2,0,1]=4 1021 B10R0.3 CCCC(C)OCC[C@@H](C)N 34a_100000706166_100000766640 [0,1,0,0,0,0|2,0,1]=4 1022 B10R0.3 CCCC(C)OCOC(C)C 34a_100000764384_100000709892 [0,1,0,0,0,0|2,0,1]=4 1023 B10R0.3 CCCC(C)SCCC(C)C 62a_100000210312_100000766640 [0,1,0,0,0,0|1,1,1]=4 1024 B10R0.3 CCCC(C)SCCC(C)C 62a_100000766640_100000210312 [0,1,0,0,0,0|1,1,1]=4 1025 B10R0.3 CCCN(C)CCCC(C)C 2230a_100000747261_100011214892 [0,1,0,0,0,0|3,0,0]=4 1026 B10R0.3 CCCN(C)CCCC(C)C 269982a_100000747261_100011214892 [0,1,0,0,0,0|3,0,0]=4 1027 B10R0.3 CCNC(=O)C/C=C/C(C)C 11a_100015525214_100016292215 [0,1,0,0,0,0|1,0,2]=4 1028 B10R0.3 CCNC(=O)C/C=C/C(C)C 240690a_100015525214_100016292215 [0,1,0,0,0,0|1,0,2]=4 1029 B10R0.3 CCNC(=O)C=CCN(C)C 240690a_100015525214_100000754359 [0,1,0,0,0,0|2,0,1]=4 1030 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,1,0,0,0,0|2,0,1]=4 1031 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,1,0,0,0,0|2,0,1]=4 1032 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,1,0,0,0,0|1,0,0]=2 1033 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,1,0,0,0,0|1,0,0]=2 1034 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,1,0,0,0,0|1,0,0]=2 1035 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,1,0,0,0,0|2,0,0]=3 1036 B10R0.3 CCNC(=O)CCCN(C)C 11a_100015525214_100000740757 [0,1,0,0,0,0|2,0,0]=3 1037 B10R0.3 CCNC(=O)CCCN(C)C 240690a_100015525214_100000740757 [0,1,0,0,0,0|2,0,0]=3 1038 B10R0.3 CCNC(=O)CCNC(C)C 2230a_100138425928_100000737597 [0,1,0,0,0,0|2,0,0]=3 1039 B10R0.3 CCNC(=O)CCNC(C)C 34a_100025743525_100000210206 [0,1,0,0,0,0|2,0,0]=3 1040 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000210206_100000737597 [0,1,0,0,0,0|2,0,0]=3 1041 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000737597_100000210206 [0,1,0,0,0,0|2,0,0]=3 1042 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100000210953_100000183381 [0,1,0,0,0,0|2,0,0]=3 1043 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100016988866_100000210760 [0,1,0,0,0,0|2,0,0]=3 1044 B10R0.3 CCNC(=O)CNCC(C)C 270004a_100016988866_100000210432 [0,1,0,0,0,0|2,0,0]=3 1045 B10R0.3 CCNC(=O)CNCC(C)C 34a_100000210953_100000183381 [0,1,0,0,0,0|2,0,0]=3 1046 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100000210904_100000183381 [0,1,0,0,0,0|3,0,0]=4 1047 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100016988866_100011218427 [0,1,0,0,0,0|3,0,0]=4 1048 B10R0.3 CCNC(=O)CNCC(C)O 34a_100000210904_100000183381 [0,1,0,0,0,0|3,0,0]=4 1049 B10R0.3 CCNC(=O)CNC[C@@H](C)O 2230a_100016988866_100009817552 [0,1,0,0,0,0|3,0,0]=4 1050 B10R0.3 CCNC(=O)COCC(C)Br 34a_100012180447_100000183381 [0,1,0,0,0,0|3,0,0]=4 1051 B10R0.3 CCNC(=O)COCC(C)C 11a_100015525214_100011223364 [0,1,0,0,0,0|2,0,0]=3 1052 B10R0.3 CCNC(=O)COCC(C)C 240690a_100015525214_100011223364 [0,1,0,0,0,0|2,0,0]=3 1053 B10R0.3 CCNC(=O)COCC(C)C 34a_100000210257_100000183381 [0,1,0,0,0,0|2,0,0]=3 1054 B10R0.3 CCNC(=O)COCC(C)C 527a_100015525214_100011223364 [0,1,0,0,0,0|2,0,0]=3 1055 B10R0.3 CCNC(=O)COCC(C)F 34a_100015925927_100000183381 [0,1,0,0,0,0|3,0,0]=4 1056 B10R0.3 CCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183381 [0,1,0,0,0,0|3,0,0]=4 1057 B10R0.3 CCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183381 [0,1,0,0,0,0|3,0,0]=4 1058 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000183381_100000210760 [0,1,0,0,0,0|2,0,0]=3 1059 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000210624_100000183381 [0,1,0,0,0,0|2,0,0]=3 1060 B10R0.3 CCNC(=O)CSCC(C)O 62a_100000183381_100011218427 [0,1,0,0,0,0|3,0,0]=4 1061 B10R0.3 CCNC(=O)CSCC(C)O 62a_100011218427_100000183381 [0,1,0,0,0,0|3,0,0]=4 1062 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100000183381_100009817552 [0,1,0,0,0,0|3,0,0]=4 1063 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183381 [0,1,0,0,0,0|3,0,0]=4 1064 B10R0.3 CCNC(=O)NCC=C(C)C 2708a_100000718196_100015525214 [0,1,0,0,0,0|1,0,2]=4 1065 B10R0.3 CCNC(=O)NCC=C(C)C 2708a_100015525214_100000718196 [0,1,0,0,0,0|1,0,2]=4 1066 B10R0.3 CCNC(=O)NCC=C(C)C 273464a_100000718196_100015525214 [0,1,0,0,0,0|1,0,2]=4 1067 B10R0.3 CCNC(=O)NCC=C(C)C 273464a_100015525214_100000718196 [0,1,0,0,0,0|1,0,2]=4 1068 B10R0.3 CCNC(=O)NCC=C(C)C 512a_100000718196_100015525214 [0,1,0,0,0,0|1,0,2]=4 1069 B10R0.3 CCNC(=O)NCC=C(C)C 512a_100015525214_100000718196 [0,1,0,0,0,0|1,0,2]=4 1070 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100000210545_100015525214 [0,1,0,0,0,0|1,0,0]=2 1071 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100015525214_100000210545 [0,1,0,0,0,0|1,0,0]=2 1072 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100000210545_100015525214 [0,1,0,0,0,0|1,0,0]=2 1073 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100015525214_100000210545 [0,1,0,0,0,0|1,0,0]=2 1074 B10R0.3 CCNC(=O)NCCC(C)C 512a_100000210545_100015525214 [0,1,0,0,0,0|1,0,0]=2 1075 B10R0.3 CCNC(=O)NCCC(C)C 512a_100015525214_100000210545 [0,1,0,0,0,0|1,0,0]=2 1076 B10R0.3 CCNC(=O)NCCC(C)O 2708a_100015525214_200000755665 [0,1,0,0,0,0|2,0,0]=3 1077 B10R0.3 CCNC(=O)NCCC(C)O 273464a_200000755665_100015525214 [0,1,0,0,0,0|2,0,0]=3 1078 B10R0.3 CCNC(=O)NCCC(C)O 512a_100015525214_200000755665 [0,1,0,0,0,0|2,0,0]=3 1079 B10R0.3 CCNC(=O)NCCC(C)O 512a_200000755665_100015525214 [0,1,0,0,0,0|2,0,0]=3 1080 B10R0.3 CCNC(=O)NCCN(C)C 2708a_100015525214_100000210585 [0,1,0,0,0,0|2,0,0]=3 1081 B10R0.3 CCNC(=O)NCCN(C)C 273464a_100000210585_100015525214 [0,1,0,0,0,0|2,0,0]=3 1082 B10R0.3 CCNC(=O)NCCN(C)C 273464a_100015525214_100000210585 [0,1,0,0,0,0|2,0,0]=3 1083 B10R0.3 CCNC(=O)NCCN(C)C 512a_100015525214_100000210585 [0,1,0,0,0,0|2,0,0]=3 1084 B10R0.3 CCNC(=O)NNCC(C)C 273464a_100015525214_100000696102 [0,1,0,0,0,0|2,0,0]=3 1085 B10R0.3 CCNC(=O)NNCC(C)C 512a_100000696102_100015525214 [0,1,0,0,0,0|2,0,0]=3 1086 B10R0.3 CCNC(=O)NNCC(C)C 512a_100015525214_100000696102 [0,1,0,0,0,0|2,0,0]=3 1087 B10R0.3 CCNC(=O)NNCC(C)O 512a_100015525214_200000730056 [0,1,0,0,0,0|3,0,0]=4 1088 B10R0.3 CCNC(=O)NNCC(C)O 512a_200000730056_100015525214 [0,1,0,0,0,0|3,0,0]=4 1089 B10R0.3 CCNC(C)CCCC(C)C 2230a_100000210607_100000210202 [0,1,0,0,0,0|2,0,1]=4 1090 B10R0.3 CCNC(C)CCCC(C)C 270004a_100015525214_100000753411 [0,1,0,0,0,0|2,0,1]=4 1091 B10R0.3 CCOC(=O)/C=C/CN(C)C 2230a_100102631434_100016267167 [0,1,0,0,0,0|2,0,1]=4 1092 B10R0.3 CCOC(=O)/C=C/CN(C)C 269982a_100102631434_100016267167 [0,1,0,0,0,0|2,0,1]=4 1093 B10R0.3 CCOC(=O)C=NNC(C)C 4a_100000741168_100000742314 [0,1,0,0,0,0|3,0,0]=4 1094 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,1,0,0,0,0|2,0,1]=4 1095 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,1,0,0,0,0|2,0,1]=4 1096 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,1,0,0,0,0|2,0,1]=4 1097 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [0,1,0,0,0,0|2,0,0]=3 1098 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [0,1,0,0,0,0|2,0,0]=3 1099 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [0,1,0,0,0,0|2,0,0]=3 1100 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [0,1,0,0,0,0|2,0,0]=3 1101 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [0,1,0,0,0,0|2,0,0]=3 1102 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [0,1,0,0,0,0|2,0,0]=3 1103 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [0,1,0,0,0,0|2,0,0]=3 1104 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [0,1,0,0,0,0|2,0,0]=3 1105 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [0,1,0,0,0,0|2,0,0]=3 1106 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,1,0,0,0,0|3,0,0]=4 1107 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,1,0,0,0,0|3,0,0]=4 1108 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [0,1,0,0,0,0|3,0,0]=4 1109 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [0,1,0,0,0,0|2,0,0]=3 1110 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [0,1,0,0,0,0|3,0,0]=4 1111 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [0,1,0,0,0,0|3,0,0]=4 1112 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [0,1,0,0,0,0|3,0,0]=4 1113 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [0,1,0,0,0,0|2,0,0]=3 1114 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [0,1,0,0,0,0|2,0,0]=3 1115 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,1,0,0,0,0|3,0,0]=4 1116 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,1,0,0,0,0|3,0,0]=4 1117 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,1,0,0,0,0|3,0,0]=4 1118 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,1,0,0,0,0|3,0,0]=4 1119 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,1,0,0,0,0|2,0,1]=4 1120 B10R0.3 CCOC(=O)NCCN(C)C 269982a_100102631434_200011445536 [0,1,0,0,0,0|2,0,0]=3 1121 B10R0.3 CCOC(=O)OCSC(C)C 62a_100000210206_100000075025 [0,1,0,0,0,0|1,0,0]=2 1122 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [0,1,0,0,0,0|2,0,1]=4 1123 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [0,1,0,0,0,0|2,0,1]=4 1124 B10R0.3 CN(C)CC=CC(=O)CCF 1458a_100000754359_100011217306 [0,1,0,0,0,0|2,0,1]=4 1125 B10R0.3 CN(C)CC=CC(=O)CCO 1458a_100000754359_100000211926 [0,1,0,0,0,0|2,0,1]=4 1126 B10R0.3 CN(C)CCCC(=O)CC#N 1458a_100051588842_100000695564 [0,1,0,0,0,0|2,0,1]=4 1127 B10R0.3 CN(C)CCCC(=O)CCO 1458a_100011216618_100000695564 [0,1,0,0,0,0|2,0,0]=3 1128 B10R0.3 CN(C)CCNC(=O)CC#N 240690a_100000210585_100051588842 [0,1,0,0,0,0|2,0,1]=4 1129 B10R0.3 CN(C)CCNC(=O)CCO 240690a_100000210585_100011216618 [0,1,0,0,0,0|2,0,0]=3 1130 B10R0.3 CNNC(=O)CCCC(C)C 22a_100016993582_100011216857 [0,1,0,0,0,0|2,0,0]=3 1131 B10R0.3 CNNC(=O)CCCC(C)O 22a_100016993582_100000761597 [0,1,0,0,0,0|3,0,0]=4 1132 B10R0.3 CNNC(=O)CCCN(C)C 22a_100016993582_100000740757 [0,1,0,0,0,0|3,0,0]=4 1133 B10R0.3 CNNC(=O)COCC(C)C 22a_100016993582_100011223364 [0,1,0,0,0,0|3,0,0]=4 1134 B10R0.3 CNNC(=O)NCCC(C)C 273464a_100000210545_100016993582 [0,1,0,0,0,0|2,0,0]=3 1135 B10R0.3 CNNC(=O)NCCC(C)C 512a_100000210545_100016993582 [0,1,0,0,0,0|2,0,0]=3 1136 B10R0.3 CNNC(=O)NCCC(C)C 512a_100016993582_100000210545 [0,1,0,0,0,0|2,0,0]=3 1137 B10R0.3 CNNC(=O)NCCC(C)O 273464a_200000755665_100016993582 [0,1,0,0,0,0|3,0,0]=4 1138 B10R0.3 CNNC(=O)NCCC(C)O 512a_100016993582_200000755665 [0,1,0,0,0,0|3,0,0]=4 1139 B10R0.3 CNNC(=O)NCCC(C)O 512a_200000755665_100016993582 [0,1,0,0,0,0|3,0,0]=4 1140 B10R0.3 CNNC(=O)NCCN(C)C 273464a_100000210585_100016993582 [0,1,0,0,0,0|3,0,0]=4 1141 B10R0.3 CNNC(=O)NCCN(C)C 512a_100016993582_100000210585 [0,1,0,0,0,0|3,0,0]=4 1142 B10R0.3 CNNC(=O)NNCC(C)C 512a_100000696102_100016993582 [0,1,0,0,0,0|3,0,0]=4 1143 B10R0.3 CNNC(=O)NNCC(C)C 512a_100016993582_100000696102 [0,1,0,0,0,0|3,0,0]=4 1144 B10R0.3 COCC(=O)CCC=C(C)C 1458a_100000210968_100011217483 [0,1,0,0,0,0|1,0,2]=4 1145 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,1,0,0,0,0|2,0,1]=4 1146 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [0,1,0,0,0,0|1,0,0]=2 1147 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [0,1,0,0,0,0|2,0,0]=3 1148 B10R0.3 COCC(=O)CCCN(C)C 1458a_100000210968_100000695564 [0,1,0,0,0,0|2,0,0]=3 1149 B10R0.3 COCC(=O)CCOC(C)C 1458a_100000210968_100000211751 [0,1,0,0,0,0|2,0,0]=3 1150 B10R0.3 COCC(=O)CCSC(C)C 1458a_100000210968_100000730970 [0,1,0,0,0,0|2,0,0]=3 1151 B10R0.3 COCC(=O)NCC=C(C)C 11a_100000718196_100000210968 [0,1,0,0,0,0|1,0,2]=4 1152 B10R0.3 COCC(=O)NCC=C(C)C 1626a_100000718196_100000210968 [0,1,0,0,0,0|1,0,2]=4 1153 B10R0.3 COCC(=O)NCC=C(C)C 527a_100000718196_100000210968 [0,1,0,0,0,0|1,0,2]=4 1154 B10R0.3 COCC(=O)NCCC(C)C 11a_100000210545_100000210968 [0,1,0,0,0,0|1,0,0]=2 1155 B10R0.3 COCC(=O)NCCC(C)C 1626a_100000210545_100000210968 [0,1,0,0,0,0|1,0,0]=2 1156 B10R0.3 COCC(=O)NCCC(C)C 240690a_100000210545_100000210968 [0,1,0,0,0,0|1,0,0]=2 1157 B10R0.3 COCC(=O)NCCC(C)C 527a_100000210545_100000210968 [0,1,0,0,0,0|1,0,0]=2 1158 B10R0.3 COCC(=O)NCCC(C)O 240690a_200000755665_100000210968 [0,1,0,0,0,0|2,0,0]=3 1159 B10R0.3 COCC(=O)NCCC(C)O 527a_200000755665_100000210968 [0,1,0,0,0,0|2,0,0]=3 1160 B10R0.3 COCC(=O)NCCN(C)C 240690a_100000210585_100000210968 [0,1,0,0,0,0|2,0,0]=3 1161 B10R0.3 COCC(=O)NCCN(C)C 527a_100000210585_100000210968 [0,1,0,0,0,0|2,0,0]=3 1162 B10R0.3 COCC(=O)NN=CC(C)C 4a_100000216845_100000210432 [0,1,0,0,0,0|2,0,1]=4 1163 B10R0.3 COCC(=O)NNCC(C)C 22a_100000696102_100000210968 [0,1,0,0,0,0|2,0,0]=3 1164 B10R0.3 COCC(=O)NNCC(C)O 22a_200000730056_100000210968 [0,1,0,0,0,0|3,0,0]=4 1165 B10R0.3 COCC(C)NCCC(C)C 270004a_100000210545_100000749346 [0,1,0,0,0,0|2,0,1]=4 1166 B10R0.3 COCC(C)OCCC(C)Br 34a_100009893172_100000765312 [0,1,0,0,0,0|2,0,1]=4 1167 B10R0.3 COCC(C)OCCC(C)C 34a_100000210254_100000765312 [0,1,0,0,0,0|1,0,1]=3 1168 B10R0.3 COCC(C)OCCC(C)C 7a_100000210254_100000765312 [0,1,0,0,0,0|1,0,1]=3 1169 B10R0.3 COCC(C)OCC[C@@H](C)N 34a_100000706166_100000765312 [0,1,0,0,0,0|2,0,1]=4 1170 B10R0.3 COCC(C)SCCC(C)C 62a_100000210312_100000765312 [0,1,0,0,0,0|1,1,1]=4 1171 B10R0.3 COCC(C)SCCC(C)C 62a_100000765312_100000210312 [0,1,0,0,0,0|1,1,1]=4 1172 B10R0.3 COC[C@@H](C)NCCC(C)C 2230a_100000764878_100000210312 [0,1,0,0,0,0|2,0,1]=4 1173 B10R0.3 COC[C@@H](C)NCCC(C)C 269862a_100000764878_100000185833 [0,1,0,0,0,0|2,0,1]=4 1174 B10R0.3 COC[C@@H](C)OCCC(C)C 34a_100011934205_100000210312 [0,1,0,0,0,0|1,0,1]=3 1175 B10R0.3 COC[C@@H](C)OCCC(C)O 34a_100011934205_100012276601 [0,1,0,0,0,0|2,0,1]=4 1176 B10R0.3 COC[C@@H](C)OCOC(C)C 34a_100011934205_100000709892 [0,1,0,0,0,0|2,0,1]=4 1177 B10R0.3 CSCC(=O)CCC=C(C)C 1458a_100000184570_100011217483 [0,1,0,0,0,0|1,0,2]=4 1178 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,1,0,0,0,0|2,0,1]=4 1179 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [0,1,0,0,0,0|1,0,0]=2 1180 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [0,1,0,0,0,0|2,0,0]=3 1181 B10R0.3 CSCC(=O)CCCN(C)C 1458a_100000184570_100000695564 [0,1,0,0,0,0|2,0,0]=3 1182 B10R0.3 CSCC(=O)CCOC(C)C 1458a_100000184570_100000211751 [0,1,0,0,0,0|2,0,0]=3 1183 B10R0.3 CSCC(=O)CCSC(C)C 1458a_100000184570_100000730970 [0,1,0,0,0,0|2,0,0]=3 1184 B10R0.3 CSCC(=O)NCC=C(C)C 11a_100000718196_100000184570 [0,1,0,0,0,0|1,0,2]=4 1185 B10R0.3 CSCC(=O)NCC=C(C)C 1626a_100000718196_100000184570 [0,1,0,0,0,0|1,0,2]=4 1186 B10R0.3 CSCC(=O)NCC=C(C)C 527a_100000718196_100000184570 [0,1,0,0,0,0|1,0,2]=4 1187 B10R0.3 CSCC(=O)NCCC(C)C 11a_100000210545_100000184570 [0,1,0,0,0,0|1,0,0]=2 1188 B10R0.3 CSCC(=O)NCCC(C)C 1626a_100000210545_100000184570 [0,1,0,0,0,0|1,0,0]=2 1189 B10R0.3 CSCC(=O)NCCC(C)C 240690a_100000210545_100000184570 [0,1,0,0,0,0|1,0,0]=2 1190 B10R0.3 CSCC(=O)NCCC(C)C 527a_100000210545_100000184570 [0,1,0,0,0,0|1,0,0]=2 1191 B10R0.3 CSCC(=O)NCCC(C)O 240690a_200000755665_100000184570 [0,1,0,0,0,0|2,0,0]=3 1192 B10R0.3 CSCC(=O)NCCC(C)O 527a_200000755665_100000184570 [0,1,0,0,0,0|2,0,0]=3 1193 B10R0.3 CSCC(=O)NCCN(C)C 240690a_100000210585_100000184570 [0,1,0,0,0,0|2,0,0]=3 1194 B10R0.3 CSCC(=O)NCCN(C)C 527a_100000210585_100000184570 [0,1,0,0,0,0|2,0,0]=3 1195 B10R0.3 CSCC(=O)NNCC(C)C 22a_100000696102_100000184570 [0,1,0,0,0,0|2,0,0]=3 1196 B10R0.3 CSCC(=O)NNCC(C)O 22a_200000730056_100000184570 [0,1,0,0,0,0|3,0,0]=4 1197 B10R0.3 CSCC(C)NCCC(C)C 270004a_100000210545_100011216314 [0,1,0,0,0,0|2,0,1]=4 1198 B10R0.44 C=CC(=O)NC(C)CC(C)C 1626a_100000692259_100000185746 [0,1,0,0,0,0|1,0,2]=4 1199 B10R0.44 C=CC(=O)NC(C)CC(C)C 240690a_100000692259_200121576911 [0,1,0,0,0,0|1,0,2]=4 1200 B10R0.44 CC(C)CC(C)NC(=O)CO 240690a_100000692259_100000210174 [0,1,0,0,0,0|2,0,0]=3 1201 B10R0.44 CC(C)CC(C)NC(=O)CO 527a_100000692259_100000210174 [0,1,0,0,0,0|2,0,0]=3 1202 B10R0.44 CC(C)CC(C)OC(C)CF 34a_100016041109_100000731052 [0,1,0,0,0,0|2,0,1]=4 1203 B10R0.44 CC(C)CC(C)OC(C)CF 7a_100016041109_100000731052 [0,1,0,0,0,0|2,0,1]=4 1204 B10R0.44 CC(C)CC(C)OC(C)CN 34a_100000210904_100000731052 [0,1,0,0,0,0|2,0,1]=4 1205 B10R0.44 CC(C)CC(C)OC(C)CO 34a_100000211805_100012180447 [0,1,0,0,0,0|2,0,1]=4 1206 B10R0.44 CC(C)CC(C)OC(C)CO 7a_100000211805_100012180447 [0,1,0,0,0,0|2,0,1]=4 1207 B10R0.44 CC(CN(C)C)NC(=O)CO 240690a_100016992788_100000210174 [0,1,0,0,0,0|3,0,0]=4 1208 B10R0.44 CC(CN(C)C)NC(=O)CO 527a_100016992788_100000210174 [0,1,0,0,0,0|3,0,0]=4 1209 B10R0.44 CCC(=CC(=O)CC(C)C)C 1458a_100020758463_100000210624 [0,1,0,0,0,0|2,0,1]=4 1210 B10R0.44 CCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747405 [0,1,0,0,0,0|1,0,1]=3 1211 B10R0.44 CCC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747405 [0,1,0,0,0,0|2,0,1]=4 1212 B10R0.44 CCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747405 [0,1,0,0,0,0|2,0,1]=4 1213 B10R0.44 CCC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747405 [0,1,0,0,0,0|2,0,1]=4 1214 B10R0.44 CCC(=O)CC(=O)NC(C)C 1458a_100000210414_100000183996 [0,1,0,0,0,0|2,0,1]=4 1215 B10R0.44 CCC(=O)CC(=O)OC(C)C 1458a_100000210414_100011215430 [0,1,0,0,0,0|2,0,1]=4 1216 B10R0.44 CCC(=O)CN(C)CC(C)C 269982a_100000747067_100000747405 [0,1,0,0,0,0|2,0,0]=3 1217 B10R0.44 CCC(=O)CN(C)CC(C)O 269982a_100000227577_100000747405 [0,1,0,0,0,0|3,0,0]=4 1218 B10R0.44 CCC(=O)NC(C)CC(C)C 11a_100000692259_100000210414 [0,1,0,0,0,0|1,0,0]=2 1219 B10R0.44 CCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210414 [0,1,0,0,0,0|1,0,0]=2 1220 B10R0.44 CCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210414 [0,1,0,0,0,0|1,0,0]=2 1221 B10R0.44 CCC(=O)NC(C)CC(C)C 527a_100000692259_100000210414 [0,1,0,0,0,0|1,0,0]=2 1222 B10R0.44 CCC(=O)NC(C)CN(C)C 11a_100016992788_100000210414 [0,1,0,0,0,0|2,0,0]=3 1223 B10R0.44 CCC(=O)NC(C)CN(C)C 240690a_100016992788_100000210414 [0,1,0,0,0,0|2,0,0]=3 1224 B10R0.44 CCC(=O)NC(C)CN(C)C 527a_100016992788_100000210414 [0,1,0,0,0,0|2,0,0]=3 1225 B10R0.44 CCC(C)NC(C)CC(C)C 2230a_100000209981_100000731052 [0,1,0,0,0,0|2,0,1]=4 1226 B10R0.44 CCC(C)NC(C)CC(C)C 2230a_100000692259_100000758301 [0,1,0,0,0,0|2,0,1]=4 1227 B10R0.44 CCC(C)OC(C)CC(C)C 34a_100000211805_100011215416 [0,1,0,0,0,0|1,0,1]=3 1228 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000210228_100000731052 [0,1,0,0,0,0|1,0,1]=3 1229 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000211805_100000758301 [0,1,0,0,0,0|1,0,1]=3 1230 B10R0.44 CCC(C)SC(C)CC(C)C 62a_100000731052_100000758301 [0,1,0,0,0,0|1,1,1]=4 1231 B10R0.44 CCC(C)SC(C)CC(C)C 62a_100000758301_100000731052 [0,1,0,0,0,0|1,1,1]=4 1232 B10R0.44 CNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183359 [0,1,0,0,0,0|2,0,1]=4 1233 B10R0.44 CNC(=O)CN(C)CC(C)C 2230a_100000189611_100000210760 [0,1,0,0,0,0|3,0,0]=4 1234 B10R0.44 CNC(=O)CN(C)CC(C)C 2230a_100000747067_100000183359 [0,1,0,0,0,0|3,0,0]=4 1235 B10R0.44 CNC(=O)CN(C)CC(C)C 269982a_100000747067_100000183359 [0,1,0,0,0,0|3,0,0]=4 1236 B10R0.44 CNC(=O)CN(C)CC(C)C 270004a_100000189611_100000210432 [0,1,0,0,0,0|3,0,0]=4 1237 B10R0.44 CNC(=O)NC(C)CC(C)C 2708a_100000692259_106832991635 [0,1,0,0,0,0|2,0,0]=3 1238 B10R0.44 CNC(=O)NC(C)CC(C)C 2708a_100102657272_100000692259 [0,1,0,0,0,0|2,0,0]=3 1239 B10R0.44 CNC(=O)NC(C)CC(C)C 273464a_100000692259_100102657272 [0,1,0,0,0,0|2,0,0]=3 1240 B10R0.44 CNC(=O)NC(C)CC(C)C 512a_100000692259_100102657272 [0,1,0,0,0,0|2,0,0]=3 1241 B10R0.44 CNC(=O)NC(C)CC(C)C 512a_106832991638_100000692259 [0,1,0,0,0,0|2,0,0]=3 1242 B10R0.44 CNC(=O)NC(C)CN(C)C 2708a_100102657272_100016992788 [0,1,0,0,0,0|3,0,0]=4 1243 B10R0.44 CNC(=O)NC(C)CN(C)C 273464a_100016992788_100102657272 [0,1,0,0,0,0|3,0,0]=4 1244 B10R0.44 CNC(=O)NC(C)CN(C)C 273464a_100102657272_100016992788 [0,1,0,0,0,0|3,0,0]=4 1245 B10R0.44 CNC(=O)NC(C)CN(C)C 512a_100016992788_100102657272 [0,1,0,0,0,0|3,0,0]=4 1246 B10R0.44 CNC(=O)NC(C)CN(C)C 512a_106832991638_100016992788 [0,1,0,0,0,0|3,0,0]=4 1247 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747449 [0,1,0,0,0,0|2,0,1]=4 1248 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000211351_100000210624 [0,1,0,0,0,0|2,0,1]=4 1249 B10R0.44 COC(=O)CC(C)NC(C)C 2230a_100138425928_100009817358 [0,1,0,0,0,0|3,0,0]=4 1250 B10R0.44 COC(=O)CC(C)NC(C)C 34a_100138425928_100009817358 [0,1,0,0,0,0|3,0,0]=4 1251 B10R0.44 COC(=O)CC(C)OC(C)C 34a_100000212225_100009817358 [0,1,0,0,0,0|3,0,0]=4 1252 B10R0.44 COC(=O)CC(C)SC(C)C 62a_100000210206_100009817358 [0,1,0,0,0,0|3,0,0]=4 1253 B10R0.44 COC(=O)CC(C)SC(C)C 62a_100009817358_100000210206 [0,1,0,0,0,0|3,0,0]=4 1254 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000198492_100000210760 [0,1,0,0,0,0|3,0,0]=4 1255 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000747067_100000747449 [0,1,0,0,0,0|3,0,0]=4 1256 B10R0.44 COC(=O)CN(C)CC(C)C 269982a_100000747067_100000747449 [0,1,0,0,0,0|3,0,0]=4 1257 B10R0.44 COC(=O)CN(C)CC(C)C 270004a_100000198492_100000210432 [0,1,0,0,0,0|3,0,0]=4 1258 B10R0.57 C#CC(=O)C(C)CCC(C)C 1458a_100000211873_100011261404 [0,1,0,0,0,0|1,0,2]=4 1259 B10R0.57 C/C=C(\C)/C(=O)CCC(C)C 1458a_100020587367_100000210312 [0,1,0,0,0,0|2,0,1]=4 1260 B10R0.57 C=C(CNC(C)C)C(=O)OC 34a_100138425928_100009813391 [0,1,0,0,0,0|3,0,0]=4 1261 B10R0.57 C=C(COC(C)C)C(=O)OC 34a_100000212225_100009813391 [0,1,0,0,0,0|3,0,0]=4 1262 B10R0.57 C=C(CSC(C)C)C(=O)OC 62a_100000210206_100009813391 [0,1,0,0,0,0|3,0,0]=4 1263 B10R0.57 C=C(CSC(C)C)C(=O)OC 62a_100009813391_100000210206 [0,1,0,0,0,0|3,0,0]=4 1264 B10R0.57 C=CC(=O)C(C)CCC(C)C 1458a_100000185746_100011261404 [0,1,0,0,0,0|1,0,2]=4 1265 B10R0.57 C=CC(=O)N(C)CCC(C)C 1626a_100000742789_100000185746 [0,1,0,0,0,0|1,0,2]=4 1266 B10R0.57 C=CC(=O)N(C)CCC(C)C 240690a_100000742789_200121576911 [0,1,0,0,0,0|1,0,2]=4 1267 B10R0.57 CC(C)CCC(C)C(=O)CO 1458a_100000210174_100011261404 [0,1,0,0,0,0|2,0,0]=3 1268 B10R0.57 CC(C)CCN(C)C(=O)CO 240690a_100000742789_100000210174 [0,1,0,0,0,0|2,0,0]=3 1269 B10R0.57 CC(C)CCN(C)C(=O)CO 527a_100000742789_100000210174 [0,1,0,0,0,0|2,0,0]=3 1270 B10R0.57 CC(C)CNC(=O)C(=O)CF 1458a_200011297155_100015361967 [0,1,0,0,0,0|3,0,0]=4 1271 B10R0.57 CCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210202 [0,1,0,0,0,0|2,0,0]=3 1272 B10R0.57 CCC(=O)C(C)CCC(C)C 1458a_100000210414_100011261404 [0,1,0,0,0,0|1,0,0]=2 1273 B10R0.57 CCC(=O)C(C)NCC(C)C 2230a_100000210953_100000742827 [0,1,0,0,0,0|2,0,0]=3 1274 B10R0.57 CCC(=O)C(C)NCC(C)O 2230a_100000210904_100000742827 [0,1,0,0,0,0|3,0,0]=4 1275 B10R0.57 CCC(=O)C(C)SCC(C)C 62a_100000210624_100000742827 [0,1,0,0,0,0|2,0,0]=3 1276 B10R0.57 CCC(=O)C(C)SCC(C)C 62a_100000742827_100000210760 [0,1,0,0,0,0|2,0,0]=3 1277 B10R0.57 CCC(=O)C(C)SCC(C)O 62a_100000742827_100011218427 [0,1,0,0,0,0|3,0,0]=4 1278 B10R0.57 CCC(=O)C(C)SCC(C)O 62a_100011218427_100000742827 [0,1,0,0,0,0|3,0,0]=4 1279 B10R0.57 CCC(=O)C(C)SC[C@@H](C)O 62a_100000742827_100009817552 [0,1,0,0,0,0|3,0,0]=4 1280 B10R0.57 CCC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000742827 [0,1,0,0,0,0|3,0,0]=4 1281 B10R0.57 CCC(=O)N(C)CCC(C)C 11a_100000742789_100000210414 [0,1,0,0,0,0|1,0,0]=2 1282 B10R0.57 CCC(=O)N(C)CCC(C)C 1626a_100000742789_100000210414 [0,1,0,0,0,0|1,0,0]=2 1283 B10R0.57 CCC(=O)N(C)CCC(C)C 240690a_100000742789_100000210414 [0,1,0,0,0,0|1,0,0]=2 1284 B10R0.57 CCC(=O)N(C)CCC(C)C 527a_100000742789_100000210414 [0,1,0,0,0,0|1,0,0]=2 1285 B10R0.57 CCC(=O)N(C)CCN(C)C 240690a_100000225618_100000210414 [0,1,0,0,0,0|2,0,0]=3 1286 B10R0.57 CCC(=O)N(C)CCN(C)C 527a_100000225618_100000210414 [0,1,0,0,0,0|2,0,0]=3 1287 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100000181311_100000758301 [0,1,0,0,0,0|2,0,1]=4 1288 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100011192722_100000210312 [0,1,0,0,0,0|2,0,1]=4 1289 B10R0.57 CCC(C)N(C)CCC(C)C 2230a_100000741768_100000210312 [0,1,0,0,0,0|2,0,1]=4 1290 B10R0.57 CCC(C)N(C)CCC(C)C 2230a_100000742789_100000758301 [0,1,0,0,0,0|2,0,1]=4 1291 B10R0.57 CCC(C)N(C)CCC(C)C 269982a_100000741768_100000210312 [0,1,0,0,0,0|2,0,1]=4 1292 B10R0.57 CCC(C)N(C)CCC(C)C 269982a_100000742789_100000758301 [0,1,0,0,0,0|2,0,1]=4 1293 B10R0.57 CCC(O)C(=O)CCC(C)C 1458a_100011196387_100000210312 [0,1,0,0,0,0|1,0,2]=4 1294 B10R0.57 CCN(C)C(=O)CCC(C)C 11a_100000225621_100000181311 [0,1,0,0,0,0|3,0,0]=4 1295 B10R0.57 CCN(C)C(=O)CCC(C)C 1626a_100000225621_100000181311 [0,1,0,0,0,0|3,0,0]=4 1296 B10R0.57 CCN(C)C(=O)CCC(C)C 240690a_100000225621_100000181311 [0,1,0,0,0,0|3,0,0]=4 1297 B10R0.57 CCN(C)C(=O)CCC(C)C 527a_100000225621_100000181311 [0,1,0,0,0,0|3,0,0]=4 1298 B10R0.57 CCN(C)C(C)CCC(C)C 2230a_100000225621_100011261404 [0,1,0,0,0,0|3,0,0]=4 1299 B10R0.57 CCN(C)C(C)CCC(C)C 269982a_100000225621_100011261404 [0,1,0,0,0,0|3,0,0]=4 1300 B10R0.57 CN(C)CCN(C)C(=O)CO 240690a_100000225618_100000210174 [0,1,0,0,0,0|3,0,0]=4 1301 B10R0.57 CN(C)CCN(C)C(=O)CO 527a_100000225618_100000210174 [0,1,0,0,0,0|3,0,0]=4 1302 B10R0.57 CNC(=O)C(=O)CCC(C)C 1458a_100011218921_100000210312 [0,1,0,0,0,0|2,0,0]=3 1303 B10R0.57 CNC(=O)C(=O)CCC(C)O 1458a_100011218921_100012276601 [0,1,0,0,0,0|3,0,0]=4 1304 B10R0.57 CNC(=O)C(=O)NCC(C)C 1626a_100000210953_100011218921 [0,1,0,0,0,0|3,0,0]=4 1305 B10R0.57 CNC(=O)C(=O)NCC(C)C 1626a_100102657272_200011297155 [0,1,0,0,0,0|3,0,0]=4 1306 B10R0.57 CNC(=O)C(=O)NCC(C)C 240690a_100000210953_100011218921 [0,1,0,0,0,0|3,0,0]=4 1307 B10R0.57 CNC(=O)C(=O)NCC(C)C 240690a_100102657272_200011297155 [0,1,0,0,0,0|3,0,0]=4 1308 B10R0.57 CNC(=O)C(=O)NCC(C)C 527a_100000210953_100011218921 [0,1,0,0,0,0|3,0,0]=4 1309 B10R0.57 CNC(=O)C(=O)NCC(C)C 527a_100102657272_200011297155 [0,1,0,0,0,0|3,0,0]=4 1310 B10R0.57 CNC(=O)C(C)CNC(C)C 2230a_100015187722_100000210206 [0,1,0,0,0,0|3,0,0]=4 1311 B10R0.57 CNC(=O)C(C)CNC(C)C 34a_100015187722_100000210206 [0,1,0,0,0,0|3,0,0]=4 1312 B10R0.57 CNC(=O)C(C)NCC(C)C 2230a_100000210953_100000731044 [0,1,0,0,0,0|3,0,0]=4 1313 B10R0.57 CNC(=O)C(C)NCC(C)C 34a_100000210953_100000731044 [0,1,0,0,0,0|3,0,0]=4 1314 B10R0.57 CNC(=O)C(C)OCC(C)C 34a_100000210257_100000731044 [0,1,0,0,0,0|3,0,0]=4 1315 B10R0.57 CNC(=O)C(C)SCC(C)C 62a_100000209862_100000210760 [0,1,0,0,0,0|3,0,0]=4 1316 B10R0.57 CNC(=O)C(C)SCC(C)C 62a_100000210624_100000731044 [0,1,0,0,0,0|3,0,0]=4 1317 B10R0.57 CNC(=O)C(F)NCC(C)C 2230a_100000210953_100009813575 [0,1,0,0,0,0|3,0,0]=4 1318 B10R0.57 CNC(=O)C(F)NCC(C)C 34a_100000210953_100009813575 [0,1,0,0,0,0|3,0,0]=4 1319 B10R0.57 CNC(=O)C(F)OCC(C)C 34a_100000210257_100009813575 [0,1,0,0,0,0|3,0,0]=4 1320 B10R0.57 CNC(=O)C(F)SCC(C)C 62a_100000210624_100009813575 [0,1,0,0,0,0|3,0,0]=4 1321 B10R0.57 CNC(=O)C(F)SCC(C)C 62a_100009813575_100000210760 [0,1,0,0,0,0|3,0,0]=4 1322 B10R0.57 CNC(=O)N(C)CCC(C)C 2708a_100102657272_100000742789 [0,1,0,0,0,0|2,0,0]=3 1323 B10R0.57 CNC(=O)N(C)CCC(C)C 273464a_100102657272_100000742789 [0,1,0,0,0,0|2,0,0]=3 1324 B10R0.57 CNC(=O)N(C)CCN(C)C 2708a_100102657272_100000225618 [0,1,0,0,0,0|3,0,0]=4 1325 B10R0.57 CNC(=O)N(C)CCN(C)C 273464a_100102657272_100000225618 [0,1,0,0,0,0|3,0,0]=4 1326 B10R0.57 CNC(=O)[C@@H](C)NCC(C)C 2230a_100000684985_100000210760 [0,1,0,0,0,0|3,0,0]=4 1327 B10R0.57 CNC(=O)[C@@H](C)NCC(C)C 34a_100000684985_100000210624 [0,1,0,0,0,0|3,0,0]=4 1328 B10R0.57 COC(=O)C(=O)CNC(C)C 34a_100138425928_100011610305 [0,1,0,0,0,0|3,0,0]=4 1329 B10R0.57 COC(=O)C(=O)COC(C)C 34a_100000212225_100011610305 [0,1,0,0,0,0|3,0,0]=4 1330 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100000210206_100011610305 [0,1,0,0,0,0|3,0,0]=4 1331 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100011610305_100000210206 [0,1,0,0,0,0|3,0,0]=4 1332 B10R0.57 COC(=O)C(=O)NCC(C)C 11a_100000210953_100000024059 [0,1,0,0,0,0|3,0,0]=4 1333 B10R0.57 COC(=O)C(=O)NCC(C)C 1626a_100000210953_100000024059 [0,1,0,0,0,0|3,0,0]=4 1334 B10R0.57 COC(=O)C(=O)NCC(C)C 240690a_100000210953_100000024059 [0,1,0,0,0,0|3,0,0]=4 1335 B10R0.57 COC(=O)C(=O)NCC(C)C 527a_100000210953_100000024059 [0,1,0,0,0,0|3,0,0]=4 1336 B10R0.57 COC(=O)C(C)CCN(C)C 2230a_100102631434_100000034942 [0,1,0,0,0,0|3,0,0]=4 1337 B10R0.57 COC(=O)C(C)CCN(C)C 269982a_100102631434_100000034942 [0,1,0,0,0,0|3,0,0]=4 1338 B10R0.57 COC(=O)C(C)CNC(C)C 34a_100138425928_100000698445 [0,1,0,0,0,0|3,0,0]=4 1339 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000212225_100000698445 [0,1,0,0,0,0|3,0,0]=4 1340 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000749362_100000210206 [0,1,0,0,0,0|3,0,0]=4 1341 B10R0.57 COC(=O)C(C)COC(C)C 7a_100000749362_100000210206 [0,1,0,0,0,0|3,0,0]=4 1342 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000210206_100000698445 [0,1,0,0,0,0|3,0,0]=4 1343 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000698445_100000210206 [0,1,0,0,0,0|3,0,0]=4 1344 B10R0.57 COC(=O)C(C)NCC(C)C 2230a_100000210953_100000211248 [0,1,0,0,0,0|3,0,0]=4 1345 B10R0.57 COC(=O)C(C)NCC(C)C 34a_100000210953_100000211248 [0,1,0,0,0,0|3,0,0]=4 1346 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100000210257_100000211248 [0,1,0,0,0,0|3,0,0]=4 1347 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100011215400_100000210624 [0,1,0,0,0,0|3,0,0]=4 1348 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000210624_100000211248 [0,1,0,0,0,0|3,0,0]=4 1349 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000211248_100000210760 [0,1,0,0,0,0|3,0,0]=4 1350 B10R0.57 COC(=O)C(F)COC(C)C 34a_200009849844_100000210206 [0,1,0,0,0,0|3,0,0]=4 1351 B10R0.57 COC(=O)[C@H](N)COC(C)C 34a_100000003586_100000210206 [0,1,0,0,0,0|3,0,0]=4 1352 B10R0.59 C#CC(C)SCOC(=O)OC 62a_200000035995_100000139417 [0,1,0,0,0,0|2,0,1]=4 1353 B10R0.59 C=CC(=O)NCCC(C)CC 1626a_100020591266_100000185746 [0,1,0,0,0,0|1,0,2]=4 1354 B10R0.59 C=CC(=O)NCCC(C)CC 240690a_100020591266_200121576911 [0,1,0,0,0,0|1,0,2]=4 1355 B10R0.59 C=CC(=O)NCCC(C)CO 240690a_106354213184_200121576911 [0,1,0,0,0,0|1,0,2]=4 1356 B10R0.59 C=CC(=O)OCCN(C)CC 2230a_100000225621_100009813456 [0,1,0,0,0,0|1,0,2]=4 1357 B10R0.59 C=CC(=O)OCCN(C)CC 269982a_100000225621_100009813456 [0,1,0,0,0,0|1,0,2]=4 1358 B10R0.59 C=CC(C)COCC(=O)CC 7a_100011215527_100000747405 [0,1,0,0,0,0|2,0,1]=4 1359 B10R0.59 C=CC(C)SCOC(=O)OC 62a_100011215867_100000139417 [0,1,0,0,0,0|2,0,1]=4 1360 B10R0.59 CC(CO)CCNC(=O)CO 240690a_106354213184_100000210174 [0,1,0,0,0,0|2,0,0]=3 1361 B10R0.59 CC(CO)CCNC(=O)CO 527a_106354213184_100000210174 [0,1,0,0,0,0|2,0,0]=3 1362 B10R0.59 CCC(=O)CCCC(=O)NC 1458a_100000210414_100000741757 [0,1,0,0,0,0|2,0,1]=4 1363 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [0,1,0,0,0,0|2,0,1]=4 1364 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [0,1,0,0,0,0|2,0,1]=4 1365 B10R0.59 CCC(=O)CCCN(C)CC 1458a_100000210414_100015186262 [0,1,0,0,0,0|2,0,0]=3 1366 B10R0.59 CCC(=O)CCCN(C)N=O 1458a_200000076914_100000210202 [0,1,0,0,0,0|3,0,0]=4 1367 B10R0.59 CCC(=O)CCOC(=O)NC 1458a_100000210414_200011997002 [0,1,0,0,0,0|2,0,1]=4 1368 B10R0.59 CCC(=O)COCC(C)CC 34a_100000725409_100000748023 [0,1,0,0,0,0|2,0,0]=3 1369 B10R0.59 CCC(=O)COCC(O)CC 34a_100000725409_100011218378 [0,1,0,0,0,0|3,0,0]=4 1370 B10R0.59 CCC(=O)COCC(O)CO 34a_100000725409_100011219619 [0,1,0,0,0,0|3,0,0]=4 1371 B10R0.59 CCC(=O)COC[C@@H](C)CC 34a_100000725409_100009816398 [0,1,0,0,0,0|2,0,0]=3 1372 B10R0.59 CCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747405 [0,1,0,0,0,0|2,0,0]=3 1373 B10R0.59 CCC(=O)COC[C@@H](C)CO 34a_100000725409_100000059175 [0,1,0,0,0,0|2,0,0]=3 1374 B10R0.59 CCC(=O)COC[C@@H](O)CF 34a_100000725409_100015614560 [0,1,0,0,0,0|3,0,0]=4 1375 B10R0.59 CCC(=O)COC[C@@H](O)CO 34a_100000725409_100009815848 [0,1,0,0,0,0|3,0,0]=4 1376 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000747405_100000748023 [0,1,0,0,0,0|2,0,0]=3 1377 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000748023_100000747405 [0,1,0,0,0,0|2,0,0]=3 1378 B10R0.59 CCC(=O)CSCC(O)CC 62a_100000747405_100011218378 [0,1,0,0,0,0|3,0,0]=4 1379 B10R0.59 CCC(=O)CSCC(O)CC 62a_100011218378_100000747405 [0,1,0,0,0,0|3,0,0]=4 1380 B10R0.59 CCC(=O)CSCC(O)CO 62a_100000747405_100011219619 [0,1,0,0,0,0|3,0,0]=4 1381 B10R0.59 CCC(=O)CSCC(O)CO 62a_100011219619_100000747405 [0,1,0,0,0,0|3,0,0]=4 1382 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100000747405_100009816398 [0,1,0,0,0,0|2,0,0]=3 1383 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747405 [0,1,0,0,0,0|2,0,0]=3 1384 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747405 [0,1,0,0,0,0|2,0,0]=3 1385 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000747405_100000059175 [0,1,0,0,0,0|2,0,0]=3 1386 B10R0.59 CCC(=O)CSC[C@@H](O)CF 62a_100000747405_100015614560 [0,1,0,0,0,0|3,0,0]=4 1387 B10R0.59 CCC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747405 [0,1,0,0,0,0|3,0,0]=4 1388 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100000747405_100009815848 [0,1,0,0,0,0|3,0,0]=4 1389 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747405 [0,1,0,0,0,0|3,0,0]=4 1390 B10R0.59 CCC(=O)NCCC(=O)NC 11a_100000738227_100000210414 [0,1,0,0,0,0|2,0,1]=4 1391 B10R0.59 CCC(=O)NCCC(=O)NC 240690a_100000738227_100000210414 [0,1,0,0,0,0|2,0,1]=4 1392 B10R0.59 CCC(=O)NCCC(=O)NC 527a_100000738227_100000210414 [0,1,0,0,0,0|2,0,1]=4 1393 B10R0.59 CCC(=O)NCCC(=O)OC 188690a_100000683876_100000210414 [0,1,0,0,0,0|2,0,1]=4 1394 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [0,1,0,0,0,0|1,0,0]=2 1395 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [0,1,0,0,0,0|1,0,0]=2 1396 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [0,1,0,0,0,0|1,0,0]=2 1397 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [0,1,0,0,0,0|1,0,0]=2 1398 B10R0.59 CCC(=O)NCCC(C)CO 240690a_106354213184_100000210414 [0,1,0,0,0,0|1,0,0]=2 1399 B10R0.59 CCC(=O)NCCC(C)CO 527a_106354213184_100000210414 [0,1,0,0,0,0|1,0,0]=2 1400 B10R0.59 CCC(=O)NN=CC(C)CC 4a_100000183195_100000243153 [0,1,0,0,0,0|2,0,1]=4 1401 B10R0.59 CCC(=O)NNCC(C)C#N 22a_100000045663_100000210414 [0,1,0,0,0,0|2,0,1]=4 1402 B10R0.59 CCC(=O)NNCC(O)CC 22a_100015206393_100000210414 [0,1,0,0,0,0|3,0,0]=4 1403 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [0,1,0,0,0,0|2,0,0]=3 1404 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [0,1,0,0,0,0|2,0,0]=3 1405 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [0,1,0,0,0,0|2,0,0]=3 1406 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [0,1,0,0,0,0|2,0,0]=3 1407 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [0,1,0,0,0,0|2,0,0]=3 1408 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [0,1,0,0,0,0|2,0,0]=3 1409 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [0,1,0,0,0,0|2,0,0]=3 1410 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [0,1,0,0,0,0|2,0,0]=3 1411 B10R0.59 CCC(C)CCNC(C)CC 2230a_100020591266_100000758301 [0,1,0,0,0,0|2,0,1]=4 1412 B10R0.59 CCC(C)CCOC(C)CC 7a_100011215188_100000758301 [0,1,0,0,0,0|1,0,1]=3 1413 B10R0.59 CCC(C)CCOC(C)CO 7a_100011215188_100012180447 [0,1,0,0,0,0|2,0,1]=4 1414 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100000693194_100000748023 [0,1,0,0,0,0|3,0,0]=4 1415 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100020588543_100000183359 [0,1,0,0,0,0|3,0,0]=4 1416 B10R0.59 CCC(C)CNCC(=O)NC 270004a_100000693194_100000243153 [0,1,0,0,0,0|3,0,0]=4 1417 B10R0.59 CCC(C)CNCC(=O)OC 2230a_100020588543_100000747449 [0,1,0,0,0,0|3,0,0]=4 1418 B10R0.59 CCC(C)COCC(=O)NC 34a_100000750040_100000748023 [0,1,0,0,0,0|3,0,0]=4 1419 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000183359_100000748023 [0,1,0,0,0,0|3,0,0]=4 1420 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000748023_100000183359 [0,1,0,0,0,0|3,0,0]=4 1421 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000747449_100000748023 [0,1,0,0,0,0|3,0,0]=4 1422 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000748023_100000747449 [0,1,0,0,0,0|3,0,0]=4 1423 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000209981_100000737683 [0,1,0,0,0,0|3,0,0]=4 1424 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000738227_100000758301 [0,1,0,0,0,0|3,0,0]=4 1425 B10R0.59 CCC(C)NCCC(=O)NC 34a_100000738227_100011215416 [0,1,0,0,0,0|3,0,0]=4 1426 B10R0.59 CCC(C)NCCC(=O)OC 2230a_100000209981_100000204255 [0,1,0,0,0,0|3,0,0]=4 1427 B10R0.59 CCC(C)NCCC(C)CO 2230a_106354213184_100000758301 [0,1,0,0,0,0|2,0,1]=4 1428 B10R0.59 CCC(C)NCCC(C)CO 34a_106354213184_100011215416 [0,1,0,0,0,0|2,0,1]=4 1429 B10R0.59 CCC(C)OCCC(=O)NC 34a_100000754576_100011215416 [0,1,0,0,0,0|3,0,0]=4 1430 B10R0.59 CCC(C)OCCC(=O)NC 7a_100000210228_100000737683 [0,1,0,0,0,0|3,0,0]=4 1431 B10R0.59 CCC(C)OCCC(=O)OC 7a_100000210228_100000204255 [0,1,0,0,0,0|3,0,0]=4 1432 B10R0.59 CCC(C)OCCC(C)OC 7a_100000764861_100000758301 [0,1,0,0,0,0|1,0,1]=3 1433 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000737683_100000758301 [0,1,0,0,0,0|3,0,0]=4 1434 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000758301_100000737683 [0,1,0,0,0,0|3,0,0]=4 1435 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000204255_100000758301 [0,1,0,0,0,0|3,0,0]=4 1436 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000758301_100000204255 [0,1,0,0,0,0|3,0,0]=4 1437 B10R0.59 CCC(C)SCOC(=O)OC 62a_100000758301_100000139417 [0,1,0,0,0,0|2,0,0]=3 1438 B10R0.59 CCN(C)CCCC(=O)CO 1458a_100000210174_100015186262 [0,1,0,0,0,0|3,0,0]=4 1439 B10R0.59 CCN(C)CCCC(=O)NC 2230a_100000225621_100000741757 [0,1,0,0,0,0|3,0,0]=4 1440 B10R0.59 CCN(C)CCCC(=O)NC 269982a_100000225621_100000741757 [0,1,0,0,0,0|3,0,0]=4 1441 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [0,1,0,0,0,0|3,0,0]=4 1442 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [0,1,0,0,0,0|3,0,0]=4 1443 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [0,1,0,0,0,0|3,0,0]=4 1444 B10R0.59 CCN(C)CCOC(=O)NC 269982a_100000225621_200011997002 [0,1,0,0,0,0|2,0,0]=3 1445 B10R0.59 CC[C@H](C)CNCC(=O)NC 2230a_100000693194_100009816398 [0,1,0,0,0,0|3,0,0]=4 1446 B10R0.59 CC[C@H](C)COCC(=O)NC 34a_100000750040_100009816398 [0,1,0,0,0,0|3,0,0]=4 1447 B10R0.59 CC[C@H](C)COCC(=O)NC 7a_100009816381_100000183359 [0,1,0,0,0,0|3,0,0]=4 1448 B10R0.59 CC[C@H](C)COCC(=O)OC 7a_100009816381_100000747449 [0,1,0,0,0,0|3,0,0]=4 1449 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100000183359_100009816398 [0,1,0,0,0,0|3,0,0]=4 1450 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100009816398_100000183359 [0,1,0,0,0,0|3,0,0]=4 1451 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100000747449_100009816398 [0,1,0,0,0,0|3,0,0]=4 1452 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100009816398_100000747449 [0,1,0,0,0,0|3,0,0]=4 1453 B10R0.59 CNC(=O)CCNC(C)CO 2230a_100000738227_100012180447 [0,1,0,0,0,0|3,0,0]=4 1454 B10R0.59 CNC(=O)CCNC(C)CO 34a_100000738227_100012180447 [0,1,0,0,0,0|3,0,0]=4 1455 B10R0.59 CNC(=O)CCN[C@H](C)CO 2230a_100000737577_100000737683 [0,1,0,0,0,0|3,0,0]=4 1456 B10R0.59 CNC(=O)CCOC(C)CF 34a_100016041109_100012179268 [0,1,0,0,0,0|3,0,0]=4 1457 B10R0.59 CNC(=O)CCOC(C)CF 7a_100016041109_100000737683 [0,1,0,0,0,0|3,0,0]=4 1458 B10R0.59 CNC(=O)CCOC(C)CN 34a_100000210904_100012179268 [0,1,0,0,0,0|3,0,0]=4 1459 B10R0.59 CNC(=O)CCOC(C)CO 34a_100000754576_100012180447 [0,1,0,0,0,0|3,0,0]=4 1460 B10R0.59 CNC(=O)CCSC(C)CO 62a_100012180447_100000737683 [0,1,0,0,0,0|3,0,0]=4 1461 B10R0.59 CNC(=O)CCSC(C)OC 62a_100000737683_100009879195 [0,1,0,0,0,0|3,0,0]=4 1462 B10R0.59 CNC(=O)CCSC(C)OC 62a_100009879195_100000737683 [0,1,0,0,0,0|3,0,0]=4 1463 B10R0.59 CNC(=O)CCS[C@H](C)CO 62a_100000737683_100016084084 [0,1,0,0,0,0|3,0,0]=4 1464 B10R0.59 CNC(=O)CCS[C@H](C)CO 62a_100016084084_100000737683 [0,1,0,0,0,0|3,0,0]=4 1465 B10R0.59 CNC(=O)CNCC(C)CO 34a_100000744482_100000183359 [0,1,0,0,0,0|3,0,0]=4 1466 B10R0.59 CNC(=O)CNC[C@@H](C)CO 2230a_100000693194_100000059175 [0,1,0,0,0,0|3,0,0]=4 1467 B10R0.59 CNC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000183359 [0,1,0,0,0,0|3,0,0]=4 1468 B10R0.59 CNC(=O)COCC(C)CN 34a_100000744482_100000183359 [0,1,0,0,0,0|3,0,0]=4 1469 B10R0.59 CNC(=O)COCC(C)OC 34a_100000690652_100000183359 [0,1,0,0,0,0|3,0,0]=4 1470 B10R0.59 CNC(=O)COC[C@@H](C)CO 34a_100000750040_100000059175 [0,1,0,0,0,0|3,0,0]=4 1471 B10R0.59 CNC(=O)CSC[C@@H](C)CO 62a_100000059175_100000183359 [0,1,0,0,0,0|3,0,0]=4 1472 B10R0.59 CNC(=O)CSC[C@@H](C)CO 62a_100000183359_100000059175 [0,1,0,0,0,0|3,0,0]=4 1473 B10R0.59 CNC(=O)NCCC(C)CO 2708a_100102657272_106354213184 [0,1,0,0,0,0|2,0,0]=3 1474 B10R0.59 CNC(=O)NCCC(C)CO 273464a_100102657272_106354213184 [0,1,0,0,0,0|2,0,0]=3 1475 B10R0.59 CNC(=O)NCCC(C)CO 273464a_106354213184_100102657272 [0,1,0,0,0,0|2,0,0]=3 1476 B10R0.59 CNC(=O)NCCC(C)CO 512a_106354213184_100102657272 [0,1,0,0,0,0|2,0,0]=3 1477 B10R0.59 CNC(=O)NCCC(C)CO 512a_106832991638_106354213184 [0,1,0,0,0,0|2,0,0]=3 1478 B10R0.59 CNC(=O)OCCC(=O)CO 1458a_100000210174_200011997002 [0,1,0,0,0,0|2,0,1]=4 1479 B10R0.59 COC(=O)CCCN(C)CF 269982a_100000739225_100015361967 [0,1,0,0,0,0|3,0,0]=4 1480 B10R0.59 COC(=O)CCN[C@H](C)CO 2230a_100000737577_100000204255 [0,1,0,0,0,0|3,0,0]=4 1481 B10R0.59 COC(=O)CCOC(C)CF 34a_100016041109_100000742370 [0,1,0,0,0,0|3,0,0]=4 1482 B10R0.59 COC(=O)CCOC(C)CF 7a_100016041109_100000204255 [0,1,0,0,0,0|3,0,0]=4 1483 B10R0.59 COC(=O)CCOC(C)CN 34a_100000210904_100000742370 [0,1,0,0,0,0|3,0,0]=4 1484 B10R0.59 COC(=O)CCSC(C)CO 62a_100012180447_100000204255 [0,1,0,0,0,0|3,0,0]=4 1485 B10R0.59 COC(=O)CCSC(C)OC 62a_100000204255_100009879195 [0,1,0,0,0,0|3,0,0]=4 1486 B10R0.59 COC(=O)CCSC(C)OC 62a_100009879195_100000204255 [0,1,0,0,0,0|3,0,0]=4 1487 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100000204255_100016084084 [0,1,0,0,0,0|3,0,0]=4 1488 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100016084084_100000204255 [0,1,0,0,0,0|3,0,0]=4 1489 B10R0.59 COC(=O)CNCC(C)CO 34a_100000744482_100000747449 [0,1,0,0,0,0|3,0,0]=4 1490 B10R0.59 COC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747449 [0,1,0,0,0,0|3,0,0]=4 1491 B10R0.59 COC(=O)COCC(C)CN 34a_100000744482_100000747449 [0,1,0,0,0,0|3,0,0]=4 1492 B10R0.59 COC(=O)COCC(C)OC 34a_100000690652_100000747449 [0,1,0,0,0,0|3,0,0]=4 1493 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747449 [0,1,0,0,0,0|3,0,0]=4 1494 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000747449_100000059175 [0,1,0,0,0,0|3,0,0]=4 1495 B10R0.59 COC(=O)OCSC(C)C#N 62a_100000703298_100000139417 [0,1,0,0,0,0|2,0,1]=4 1496 B10R0.59 COC(=O)OCSC(C)CO 62a_100012180447_100000139417 [0,1,0,0,0,0|2,0,0]=3 1497 B10R0.59 COC(=O)OCSC(C)OC 62a_100009879195_100000139417 [0,1,0,0,0,0|2,0,0]=3 1498 B10R0.59 COC(=O)OCS[C@H](C)CO 62a_100016084084_100000139417 [0,1,0,0,0,0|2,0,0]=3 1499 B10R0.59 COC(C)CCOC(C)CO 7a_100000764861_100012180447 [0,1,0,0,0,0|2,0,1]=4 1500 B10R0.60 C=CC(=O)NCCC(C)(C)C 1626a_100000738805_100000185746 [0,1,0,0,0,0|1,0,2]=4 1501 B10R0.60 C=CC(=O)NCCC(C)(C)C 240690a_100000738805_200121576911 [0,1,0,0,0,0|1,0,2]=4 1502 B10R0.60 C=CC(=O)NCCC(C)(C)F 1626a_100016253952_100000185746 [0,1,0,0,0,0|1,0,2]=4 1503 B10R0.60 C=CC(=O)NCCC(C)(C)F 240690a_100016253952_200121576911 [0,1,0,0,0,0|1,0,2]=4 1504 B10R0.60 C=CC(=O)NCCC(C)(C)O 1626a_100000707701_100000185746 [0,1,0,0,0,0|1,0,2]=4 1505 B10R0.60 CC(C)(C)CCNC(=O)CO 240690a_100000738805_100000210174 [0,1,0,0,0,0|2,0,0]=3 1506 B10R0.60 CC(C)(C)CCNC(=O)CO 527a_100000738805_100000210174 [0,1,0,0,0,0|2,0,0]=3 1507 B10R0.60 CC(C)(F)CCNC(=O)CO 240690a_100016253952_100000210174 [0,1,0,0,0,0|2,0,0]=3 1508 B10R0.60 CC(C)(F)CCNC(=O)CO 527a_100016253952_100000210174 [0,1,0,0,0,0|2,0,0]=3 1509 B10R0.60 CC(C)(O)CCNC(=O)CO 527a_100000707701_100000210174 [0,1,0,0,0,0|2,0,0]=3 1510 B10R0.60 CC(CF)OCCC(C)(C)C 34a_100016041109_100000755188 [0,1,0,0,0,0|2,0,1]=4 1511 B10R0.60 CC(CF)OCCC(C)(C)C 7a_100016041109_100000755188 [0,1,0,0,0,0|2,0,1]=4 1512 B10R0.60 CC(CF)OCCC(C)(C)O 34a_100016041109_100000702414 [0,1,0,0,0,0|2,0,1]=4 1513 B10R0.60 CC(CF)OCCC(C)(C)O 7a_100016041109_100000702414 [0,1,0,0,0,0|2,0,1]=4 1514 B10R0.60 CC(CN)OCCC(C)(C)C 34a_100000210904_100000755188 [0,1,0,0,0,0|2,0,1]=4 1515 B10R0.60 CC(CN)OCCC(C)(C)O 34a_100000210904_100000702414 [0,1,0,0,0,0|2,0,1]=4 1516 B10R0.60 CC(CO)OCCC(C)(C)C 7a_100000765024_100012180447 [0,1,0,0,0,0|2,0,1]=4 1517 B10R0.60 CCC(=O)CCCC(F)(F)F 1458a_100000210414_100011216173 [0,1,0,0,0,0|3,0,0]=4 1518 B10R0.60 CCC(=O)CCCC(F)(F)F 1458a_100000764234_100000210202 [0,1,0,0,0,0|3,0,0]=4 1519 B10R0.60 CCC(=O)CCCS(=O)(=O)C 1458a_100000210414_100000754308 [0,1,0,0,0,0|3,0,0]=4 1520 B10R0.60 CCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000210202 [0,1,0,0,0,0|2,0,0]=3 1521 B10R0.60 CCC(=O)CCC[N+](C)(C)C 1458a_100000210414_100016990835 [0,1,0,0,0,0|2,0,0]=3 1522 B10R0.60 CCC(=O)CCC[Si](C)(C)C 1458a_100000210414_100011219597 [0,1,0,0,0,0|1,1,0]=3 1523 B10R0.60 CCC(=O)CCO[Si](C)(C)C 1458a_100000210414_200000032530 [0,1,0,0,0,0|2,1,0]=4 1524 B10R0.60 CCC(=O)COCC(C)(C)C 34a_100000725409_100011219605 [0,1,0,0,0,0|2,0,0]=3 1525 B10R0.60 CCC(=O)COCC(C)(C)F 34a_100000725409_100011997219 [0,1,0,0,0,0|2,0,0]=3 1526 B10R0.60 CCC(=O)COCC(C)(C)O 34a_100000725409_100000764493 [0,1,0,0,0,0|2,0,0]=3 1527 B10R0.60 CCC(=O)CSCC(C)(C)C 62a_100000747405_100011219605 [0,1,0,0,0,0|2,0,0]=3 1528 B10R0.60 CCC(=O)CSCC(C)(C)C 62a_100011219605_100000747405 [0,1,0,0,0,0|2,0,0]=3 1529 B10R0.60 CCC(=O)CSCC(C)(C)F 62a_100000747405_100011997219 [0,1,0,0,0,0|2,0,0]=3 1530 B10R0.60 CCC(=O)CSCC(C)(C)F 62a_100011997219_100000747405 [0,1,0,0,0,0|2,0,0]=3 1531 B10R0.60 CCC(=O)CSCC(C)(C)O 62a_100000747405_100000764493 [0,1,0,0,0,0|2,0,0]=3 1532 B10R0.60 CCC(=O)CSCC(C)(C)O 62a_100000764493_100000747405 [0,1,0,0,0,0|2,0,0]=3 1533 B10R0.60 CCC(=O)CSC[N+](C)(C)C 62a_100000747405_200000036245 [0,1,0,0,0,0|3,0,0]=4 1534 B10R0.60 CCC(=O)CSC[N+](C)(C)C 62a_200000036245_100000747405 [0,1,0,0,0,0|3,0,0]=4 1535 B10R0.60 CCC(=O)CSC[Si](C)(C)C 62a_100000037933_100000747405 [0,1,0,0,0,0|2,1,0]=4 1536 B10R0.60 CCC(=O)CSC[Si](C)(C)C 62a_100000747405_100000037933 [0,1,0,0,0,0|2,1,0]=4 1537 B10R0.60 CCC(=O)NCCC(C)(C)C 11a_100000738805_100000210414 [0,1,0,0,0,0|1,0,0]=2 1538 B10R0.60 CCC(=O)NCCC(C)(C)C 1626a_100000738805_100000210414 [0,1,0,0,0,0|1,0,0]=2 1539 B10R0.60 CCC(=O)NCCC(C)(C)C 240690a_100000738805_100000210414 [0,1,0,0,0,0|1,0,0]=2 1540 B10R0.60 CCC(=O)NCCC(C)(C)C 527a_100000738805_100000210414 [0,1,0,0,0,0|1,0,0]=2 1541 B10R0.60 CCC(=O)NCCC(C)(C)F 11a_100016253952_100000210414 [0,1,0,0,0,0|1,0,0]=2 1542 B10R0.60 CCC(=O)NCCC(C)(C)F 1626a_100016253952_100000210414 [0,1,0,0,0,0|1,0,0]=2 1543 B10R0.60 CCC(=O)NCCC(C)(C)F 240690a_100016253952_100000210414 [0,1,0,0,0,0|1,0,0]=2 1544 B10R0.60 CCC(=O)NCCC(C)(C)F 527a_100016253952_100000210414 [0,1,0,0,0,0|1,0,0]=2 1545 B10R0.60 CCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210414 [0,1,0,0,0,0|1,0,0]=2 1546 B10R0.60 CCC(=O)NCCC(C)(C)O 527a_100000707701_100000210414 [0,1,0,0,0,0|1,0,0]=2 1547 B10R0.60 CCC(=O)NCCC(F)(F)F 11a_100000740434_100000210414 [0,1,0,0,0,0|3,0,0]=4 1548 B10R0.60 CCC(=O)NCCC(F)(F)F 1626a_100000740434_100000210414 [0,1,0,0,0,0|3,0,0]=4 1549 B10R0.60 CCC(=O)NCCC(F)(F)F 240690a_100000740434_100000210414 [0,1,0,0,0,0|3,0,0]=4 1550 B10R0.60 CCC(=O)NCCC(F)(F)F 527a_100000740434_100000210414 [0,1,0,0,0,0|3,0,0]=4 1551 B10R0.60 CCC(=O)NCCS(=O)(=O)C 11a_100000740961_100000210414 [0,1,0,0,0,0|3,0,0]=4 1552 B10R0.60 CCC(=O)NCCS(=O)(=O)C 1626a_100000740961_100000210414 [0,1,0,0,0,0|3,0,0]=4 1553 B10R0.60 CCC(=O)NCCS(=O)(=O)C 240690a_100000740961_100000210414 [0,1,0,0,0,0|3,0,0]=4 1554 B10R0.60 CCC(=O)NCCS(=O)(=O)C 527a_100000740961_100000210414 [0,1,0,0,0,0|3,0,0]=4 1555 B10R0.60 CCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000210414 [0,1,0,0,0,0|2,0,0]=3 1556 B10R0.60 CCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000210414 [0,1,0,0,0,0|2,0,0]=3 1557 B10R0.60 CCC(=O)NCC[N+](C)(C)C 527a_100000106457_100000210414 [0,1,0,0,0,0|2,0,0]=3 1558 B10R0.60 CCC(C)NCCC(C)(C)C 2230a_100000209981_100000755188 [0,1,0,0,0,0|2,0,1]=4 1559 B10R0.60 CCC(C)NCCC(C)(C)C 2230a_100000738805_100000758301 [0,1,0,0,0,0|2,0,1]=4 1560 B10R0.60 CCC(C)NCCC(C)(C)F 2230a_100016253952_100000758301 [0,1,0,0,0,0|2,0,1]=4 1561 B10R0.60 CCC(C)NCCC(C)(C)O 2230a_100000209981_100000702414 [0,1,0,0,0,0|2,0,1]=4 1562 B10R0.60 CCC(C)OCCC(C)(C)C 7a_100000210228_100000755188 [0,1,0,0,0,0|1,0,1]=3 1563 B10R0.60 CCC(C)OCCC(C)(C)C 7a_100000765024_100000758301 [0,1,0,0,0,0|1,0,1]=3 1564 B10R0.60 CCC(C)OCCC(C)(C)O 7a_100000210228_100000702414 [0,1,0,0,0,0|1,0,1]=3 1565 B10R0.60 CCC(C)OCC[N+](C)(C)C 7a_100000210228_100000085578 [0,1,0,0,0,0|2,0,1]=4 1566 B10R0.60 CCC(C)OCC[N+](C)(C)C 7a_200020618287_100000758301 [0,1,0,0,0,0|2,0,1]=4 1567 B10R0.60 CCC(C)OCC[Si](C)(C)C 7a_100000039746_100000758301 [0,1,0,0,0,0|1,1,1]=4 1568 B10R0.60 CCC(C)OCC[Si](C)(C)C 7a_100000210228_200000733723 [0,1,0,0,0,0|1,1,1]=4 1569 B10R0.60 CCC(C)SCCC(C)(C)C 62a_100000755188_100000758301 [0,1,0,0,0,0|1,1,1]=4 1570 B10R0.60 CCC(C)SCCC(C)(C)C 62a_100000758301_100000755188 [0,1,0,0,0,0|1,1,1]=4 1571 B10R0.60 CCC(C)SCCC(C)(C)O 62a_100000702414_100000758301 [0,1,0,0,0,0|1,1,1]=4 1572 B10R0.60 CCC(C)SCCC(C)(C)O 62a_100000758301_100000702414 [0,1,0,0,0,0|1,1,1]=4 1573 B10R0.60 CCN(C)CCCC(C)(C)O 2230a_100000225621_100009888830 [0,1,0,0,0,0|3,0,0]=4 1574 B10R0.60 CCN(C)CCCC(C)(C)O 269982a_100000225621_100009888830 [0,1,0,0,0,0|3,0,0]=4 1575 B10R0.60 CNC(=O)CCC[N+](C)(C)C 11a_106832991635_100000085584 [0,1,0,0,0,0|3,0,0]=4 1576 B10R0.60 CNC(=O)CCC[N+](C)(C)C 1626a_100102657272_100000085584 [0,1,0,0,0,0|3,0,0]=4 1577 B10R0.60 CNC(=O)CCC[N+](C)(C)C 240690a_100102657272_100000085584 [0,1,0,0,0,0|3,0,0]=4 1578 B10R0.60 CNC(=O)CCC[N+](C)(C)C 527a_100102657272_100000085584 [0,1,0,0,0,0|3,0,0]=4 1579 B10R0.60 CNC(=O)CCNC(C)(C)C 2230a_100000715429_100000737683 [0,1,0,0,0,0|3,0,0]=4 1580 B10R0.60 CNC(=O)CCNC(C)(C)C 34a_100000738227_100000210625 [0,1,0,0,0,0|3,0,0]=4 1581 B10R0.60 CNC(=O)CCOC(C)(C)C 34a_100000754576_100000210625 [0,1,0,0,0,0|3,0,0]=4 1582 B10R0.60 CNC(=O)CCOC(C)(C)C 34a_100015890283_100012179268 [0,1,0,0,0,0|3,0,0]=4 1583 B10R0.60 CNC(=O)CCOC(C)(C)C 7a_100015890283_100000737683 [0,1,0,0,0,0|3,0,0]=4 1584 B10R0.60 CNC(=O)CCSC(C)(C)C 62a_100000211941_100000737683 [0,1,0,0,0,0|3,0,0]=4 1585 B10R0.60 CNC(=O)CCSC(C)(C)C 62a_100000737683_100000211941 [0,1,0,0,0,0|3,0,0]=4 1586 B10R0.60 CNC(=O)CNCC(C)(C)C 2230a_100000743828_100000183359 [0,1,0,0,0,0|3,0,0]=4 1587 B10R0.60 CNC(=O)CNCC(C)(C)C 270004a_100000693194_100011204126 [0,1,0,0,0,0|3,0,0]=4 1588 B10R0.60 CNC(=O)CNCC(C)(C)F 2230a_100020643315_100000183359 [0,1,0,0,0,0|3,0,0]=4 1589 B10R0.60 CNC(=O)CNCC(C)(C)O 2230a_100000751335_100000183359 [0,1,0,0,0,0|3,0,0]=4 1590 B10R0.60 CNC(=O)COCC(C)(C)C 34a_100000750040_100011219605 [0,1,0,0,0,0|3,0,0]=4 1591 B10R0.60 CNC(=O)COCC(C)(C)F 34a_100000716592_100000183359 [0,1,0,0,0,0|3,0,0]=4 1592 B10R0.60 CNC(=O)COCC(C)(C)F 34a_100000750040_100011997219 [0,1,0,0,0,0|3,0,0]=4 1593 B10R0.60 CNC(=O)COCC(C)(C)O 34a_100000750040_100000764493 [0,1,0,0,0,0|3,0,0]=4 1594 B10R0.60 CNC(=O)CSCC(C)(C)C 62a_100000183359_100011219605 [0,1,0,0,0,0|3,0,0]=4 1595 B10R0.60 CNC(=O)CSCC(C)(C)C 62a_100011219605_100000183359 [0,1,0,0,0,0|3,0,0]=4 1596 B10R0.60 CNC(=O)CSCC(C)(C)F 62a_100000183359_100011997219 [0,1,0,0,0,0|3,0,0]=4 1597 B10R0.60 CNC(=O)CSCC(C)(C)F 62a_100011997219_100000183359 [0,1,0,0,0,0|3,0,0]=4 1598 B10R0.60 CNC(=O)CSCC(C)(C)O 62a_100000183359_100000764493 [0,1,0,0,0,0|3,0,0]=4 1599 B10R0.60 CNC(=O)CSCC(C)(C)O 62a_100000764493_100000183359 [0,1,0,0,0,0|3,0,0]=4 1600 B10R0.60 CNC(=O)NCCC(C)(C)C 2708a_100000738805_106832991635 [0,1,0,0,0,0|2,0,0]=3 1601 B10R0.60 CNC(=O)NCCC(C)(C)C 2708a_100102657272_100000738805 [0,1,0,0,0,0|2,0,0]=3 1602 B10R0.60 CNC(=O)NCCC(C)(C)C 273464a_100000738805_100102657272 [0,1,0,0,0,0|2,0,0]=3 1603 B10R0.60 CNC(=O)NCCC(C)(C)C 273464a_100102657272_100000738805 [0,1,0,0,0,0|2,0,0]=3 1604 B10R0.60 CNC(=O)NCCC(C)(C)C 512a_100000738805_100102657272 [0,1,0,0,0,0|2,0,0]=3 1605 B10R0.60 CNC(=O)NCCC(C)(C)C 512a_106832991638_100000738805 [0,1,0,0,0,0|2,0,0]=3 1606 B10R0.60 CNC(=O)NCCC(C)(C)F 2708a_100016253952_106832991635 [0,1,0,0,0,0|2,0,0]=3 1607 B10R0.60 CNC(=O)NCCC(C)(C)F 2708a_100102657272_100016253952 [0,1,0,0,0,0|2,0,0]=3 1608 B10R0.60 CNC(=O)NCCC(C)(C)F 273464a_100016253952_100102657272 [0,1,0,0,0,0|2,0,0]=3 1609 B10R0.60 CNC(=O)NCCC(C)(C)F 273464a_100102657272_100016253952 [0,1,0,0,0,0|2,0,0]=3 1610 B10R0.60 CNC(=O)NCCC(C)(C)F 512a_100016253952_100102657272 [0,1,0,0,0,0|2,0,0]=3 1611 B10R0.60 CNC(=O)NCCC(C)(C)F 512a_106832991638_100016253952 [0,1,0,0,0,0|2,0,0]=3 1612 B10R0.60 CNC(=O)NCCC(C)(C)O 2708a_100000707701_106832991635 [0,1,0,0,0,0|2,0,0]=3 1613 B10R0.60 CNC(=O)NCCC(C)(C)O 2708a_100102657272_100000707701 [0,1,0,0,0,0|2,0,0]=3 1614 B10R0.60 CNC(=O)NCCC(C)(C)O 273464a_100000707701_100102657272 [0,1,0,0,0,0|2,0,0]=3 1615 B10R0.60 CNC(=O)NCCC(C)(C)O 273464a_100102657272_100000707701 [0,1,0,0,0,0|2,0,0]=3 1616 B10R0.60 CNC(=O)NCCC(C)(C)O 512a_100000707701_100102657272 [0,1,0,0,0,0|2,0,0]=3 1617 B10R0.60 CNC(=O)NCCC(C)(C)O 512a_106832991638_100000707701 [0,1,0,0,0,0|2,0,0]=3 1618 B10R0.60 CNC(=O)NCC[N+](C)(C)C 2708a_100102657272_100000106457 [0,1,0,0,0,0|3,0,0]=4 1619 B10R0.60 CNC(=O)NCC[N+](C)(C)C 273464a_100000106457_100102657272 [0,1,0,0,0,0|3,0,0]=4 1620 B10R0.60 CNC(=O)NCC[N+](C)(C)C 273464a_100102657272_100000106457 [0,1,0,0,0,0|3,0,0]=4 1621 B10R0.60 CNC(=O)NCC[N+](C)(C)C 512a_100000106457_100102657272 [0,1,0,0,0,0|3,0,0]=4 1622 B10R0.60 CNC(=O)NCC[N+](C)(C)C 512a_106832991638_100000106457 [0,1,0,0,0,0|3,0,0]=4 1623 B10R0.60 COC(=O)CCNC(C)(C)C 2230a_100000715429_100000204255 [0,1,0,0,0,0|3,0,0]=4 1624 B10R0.60 COC(=O)CCOC(C)(C)C 34a_100015890283_100000742370 [0,1,0,0,0,0|3,0,0]=4 1625 B10R0.60 COC(=O)CCOC(C)(C)C 7a_100015890283_100000204255 [0,1,0,0,0,0|3,0,0]=4 1626 B10R0.60 COC(=O)CCSC(C)(C)C 62a_100000204255_100000211941 [0,1,0,0,0,0|3,0,0]=4 1627 B10R0.60 COC(=O)CCSC(C)(C)C 62a_100000211941_100000204255 [0,1,0,0,0,0|3,0,0]=4 1628 B10R0.60 COC(=O)CNCC(C)(C)C 2230a_100000743828_100000747449 [0,1,0,0,0,0|3,0,0]=4 1629 B10R0.60 COC(=O)CNCC(C)(C)F 2230a_100020643315_100000747449 [0,1,0,0,0,0|3,0,0]=4 1630 B10R0.60 COC(=O)CNCC(C)(C)O 2230a_100000751335_100000747449 [0,1,0,0,0,0|3,0,0]=4 1631 B10R0.60 COC(=O)COCC(C)(C)F 34a_100000716592_100000747449 [0,1,0,0,0,0|3,0,0]=4 1632 B10R0.60 COC(=O)CSCC(C)(C)C 62a_100000747449_100011219605 [0,1,0,0,0,0|3,0,0]=4 1633 B10R0.60 COC(=O)CSCC(C)(C)C 62a_100011219605_100000747449 [0,1,0,0,0,0|3,0,0]=4 1634 B10R0.60 COC(=O)CSCC(C)(C)F 62a_100000747449_100011997219 [0,1,0,0,0,0|3,0,0]=4 1635 B10R0.60 COC(=O)CSCC(C)(C)F 62a_100011997219_100000747449 [0,1,0,0,0,0|3,0,0]=4 1636 B10R0.60 COC(=O)CSCC(C)(C)O 62a_100000747449_100000764493 [0,1,0,0,0,0|3,0,0]=4 1637 B10R0.60 COC(=O)CSCC(C)(C)O 62a_100000764493_100000747449 [0,1,0,0,0,0|3,0,0]=4 1638 B10R0.60 COC(=O)OCSC(C)(C)C 62a_100000211941_100000139417 [0,1,0,0,0,0|2,0,0]=3 1639 B10R0.60 C[N+](C)(C)CCCC(=O)CF 1458a_100000085584_100015361967 [0,1,0,0,0,0|3,0,0]=4 1640 B10R0.60 C[N+](C)(C)CCCC(=O)CO 1458a_100000210174_100016990835 [0,1,0,0,0,0|3,0,0]=4 1641 B10R0.60 C[N+](C)(C)CCNC(=O)CO 240690a_100000106457_100000210174 [0,1,0,0,0,0|3,0,0]=4 1642 B10R0.60 C[N+](C)(C)CCNC(=O)CO 527a_100000106457_100000210174 [0,1,0,0,0,0|3,0,0]=4 1643 B10R0.60 C[Si](C)(C)CCCC(=O)CO 1458a_100000210174_100011219597 [0,1,0,0,0,0|2,1,0]=4 1644 B10R0.65 CC(C)CCNS(=O)(=O)CCl 270084a_100000210545_100000031410 [0,1,0,0,0,0|3,0,0]=4 1645 B10R0.65 CC(C)CCNS(=O)(=O)CCl 274078a_100000210545_100000031410 [0,1,0,0,0,0|3,0,0]=4 1646 B10R0.65 CC(C)CCOC(C)(C)CCl 7a_100000764493_100000210626 [0,1,0,0,0,0|2,0,1]=4 1647 B10R0.65 CCC(C)(C)NCCC(C)C 2230a_100000211385_100000210312 [0,1,0,0,0,0|2,0,1]=4 1648 B10R0.65 CCC(C)(C)OCCC(C)C 7a_100000210230_100000210626 [0,1,0,0,0,0|1,0,1]=3 1649 B10R0.65 CCC(C)(C)OCCC(C)C 7a_100000210254_100000210677 [0,1,0,0,0,0|1,0,1]=3 1650 B10R0.65 CCC(C)(C)OCCC(C)O 7a_100000210230_100012276601 [0,1,0,0,0,0|2,0,1]=4 1651 B10R0.65 CCC(C)(C)OCCN(C)C 7a_100000210230_100000755713 [0,1,0,0,0,0|2,0,1]=4 1652 B10R0.65 CCC(C)(C)SCCC(C)C 62a_100000032637_100000210312 [0,1,0,0,0,0|1,1,1]=4 1653 B10R0.65 CCC(C)(C)SCCC(C)C 62a_100000210312_100000032637 [0,1,0,0,0,0|1,1,1]=4 1654 B10R0.65 CCS(=O)(=O)CCNC(C)C 2230a_100000751051_100000210206 [0,1,0,0,0,0|3,0,0]=4 1655 B10R0.65 CCS(=O)(=O)CCNC(C)C 2230a_100138425928_100000756660 [0,1,0,0,0,0|3,0,0]=4 1656 B10R0.65 CCS(=O)(=O)CCNC(C)C 34a_100000751051_100000210206 [0,1,0,0,0,0|3,0,0]=4 1657 B10R0.65 CCS(=O)(=O)CCNC(C)C 34a_100138425928_100000756660 [0,1,0,0,0,0|3,0,0]=4 1658 B10R0.65 CCS(=O)(=O)CCOC(C)C 34a_100000212225_100000756660 [0,1,0,0,0,0|3,0,0]=4 1659 B10R0.65 CCS(=O)(=O)CCOC(C)C 34a_200011216379_100000210206 [0,1,0,0,0,0|3,0,0]=4 1660 B10R0.65 CCS(=O)(=O)CCOC(C)C 7a_200011216379_100000210206 [0,1,0,0,0,0|3,0,0]=4 1661 B10R0.65 CCS(=O)(=O)CCSC(C)C 62a_100000210206_100000756660 [0,1,0,0,0,0|3,0,0]=4 1662 B10R0.65 CCS(=O)(=O)CCSC(C)C 62a_100000756660_100000210206 [0,1,0,0,0,0|3,0,0]=4 1663 B10R0.65 CCS(=O)(=O)NCCC(C)C 270084a_100000210545_100000211323 [0,1,0,0,0,0|2,0,0]=3 1664 B10R0.65 CCS(=O)(=O)NCCC(C)C 274078a_100000210545_100000211323 [0,1,0,0,0,0|2,0,0]=3 1665 B10R0.65 CCS(=O)(=O)NCCC(C)C 40a_100000210545_100000053943 [0,1,0,0,0,0|2,0,0]=3 1666 B10R0.65 CCS(=O)(=O)NCCC(C)O 270084a_200000755665_100000211323 [0,1,0,0,0,0|3,0,0]=4 1667 B10R0.65 CCS(=O)(=O)NCCC(C)O 274078a_200000755665_100000211323 [0,1,0,0,0,0|3,0,0]=4 1668 B10R0.65 CCS(=O)(=O)NCCC(C)O 40a_200000755665_100000053943 [0,1,0,0,0,0|3,0,0]=4 1669 B10R0.65 CCS(=O)(=O)NCCN(C)C 270084a_100000210585_100000211323 [0,1,0,0,0,0|3,0,0]=4 1670 B10R0.65 CCS(=O)(=O)NCCN(C)C 274078a_100000210585_100000211323 [0,1,0,0,0,0|3,0,0]=4 1671 B10R0.65 CCS(=O)(=O)NCCN(C)C 40a_100000210585_100000053943 [0,1,0,0,0,0|3,0,0]=4 1672 B10R0.65 CCS(=O)(=O)NNCC(C)C 40a_100000696102_100000053943 [0,1,0,0,0,0|3,0,0]=4 1673 B10R0.77 C#CC(CC)OCCC(C)C 34a_100000758843_100000210312 [0,1,0,0,0,0|1,0,1]=3 1674 B10R0.77 C#CC(CC)OCCC(C)C 7a_100000758843_100000210626 [0,1,0,0,0,0|1,0,1]=3 1675 B10R0.77 C#CC(CC)OCCC(C)O 34a_100000758843_100012276601 [0,1,0,0,0,0|2,0,1]=4 1676 B10R0.77 C#CC(CC)OCCC(C)O 7a_100000758843_100012276601 [0,1,0,0,0,0|2,0,1]=4 1677 B10R0.77 C#CC(CC)OCCN(C)C 7a_100000758843_100000755713 [0,1,0,0,0,0|2,0,1]=4 1678 B10R0.77 C#CC(CC)OCOC(C)C 34a_100000758843_100000709892 [0,1,0,0,0,0|2,0,1]=4 1679 B10R0.77 C=CC(CC)OCCC(C)C 34a_100000766422_100000210312 [0,1,0,0,0,0|1,0,1]=3 1680 B10R0.77 C=CC(CC)OCCC(C)C 7a_100000766422_100000210626 [0,1,0,0,0,0|1,0,1]=3 1681 B10R0.77 C=CC(CC)OCCC(C)O 34a_100000766422_100012276601 [0,1,0,0,0,0|2,0,1]=4 1682 B10R0.77 C=CC(CC)OCCC(C)O 7a_100000766422_100012276601 [0,1,0,0,0,0|2,0,1]=4 1683 B10R0.77 C=CC(CC)OCCN(C)C 7a_100000766422_100000755713 [0,1,0,0,0,0|2,0,1]=4 1684 B10R0.77 C=CC(CC)OCOC(C)C 34a_100000766422_100000709892 [0,1,0,0,0,0|2,0,1]=4 1685 B10R0.77 CC(C)CCOC(C=O)C=O 34a_100000210254_100000736813 [0,1,0,0,0,0|1,0,2]=4 1686 B10R0.77 CC(C)CCOC(CCl)CCl 7a_100000737055_100000210626 [0,1,0,0,0,0|2,0,1]=4 1687 B10R0.77 CC(C)CCOC(CF)CF 34a_100000032261_100000210312 [0,1,0,0,0,0|2,0,1]=4 1688 B10R0.77 CC(C)CCOC(CF)CF 7a_100000032261_100000210626 [0,1,0,0,0,0|2,0,1]=4 1689 B10R0.77 CC(C)CCOC(CN)CN 34a_100000031598_100000210312 [0,1,0,0,0,0|2,0,1]=4 1690 B10R0.77 CC(C)CCO[C@@H](CF)CCl 34a_100015614560_100000210312 [0,1,0,0,0,0|2,0,1]=4 1691 B10R0.77 CC(C)CCO[C@@H](CF)CCl 7a_100015614560_100000210626 [0,1,0,0,0,0|2,0,1]=4 1692 B10R0.77 CCC(CC)NCCC(C)C 2230a_100000199018_100000210312 [0,1,0,0,0,0|2,0,1]=4 1693 B10R0.77 CCC(CC)NCCC(C)C 269862a_100000199018_100000185833 [0,1,0,0,0,0|2,0,1]=4 1694 B10R0.77 CCC(CC)NCCC(C)C 270004a_100000210545_100000210860 [0,1,0,0,0,0|2,0,1]=4 1695 B10R0.77 CCC(CC)OCCC(C)C 7a_100000210254_100000210505 [0,1,0,0,0,0|1,0,1]=3 1696 B10R0.77 CCC(CC)OCCC(C)C 7a_100000688536_100000210626 [0,1,0,0,0,0|1,0,1]=3 1697 B10R0.77 CCC(CC)OCCC(C)O 7a_100000688536_100012276601 [0,1,0,0,0,0|2,0,1]=4 1698 B10R0.77 CCC(CC)OCCN(C)C 7a_100000688536_100000755713 [0,1,0,0,0,0|2,0,1]=4 1699 B10R0.77 CCC(CC)SCCC(C)C 62a_100000210312_100000210505 [0,1,0,0,0,0|1,1,1]=4 1700 B10R0.77 CCC(CC)SCCC(C)C 62a_100000210505_100000210312 [0,1,0,0,0,0|1,1,1]=4 1701 B10R0.77 CCN(CC)CCCC(C)C 2230a_100000724800_100011214892 [0,1,0,0,0,0|3,0,0]=4 1702 B10R0.77 CCN(CC)CCCC(C)C 269956a_100000042499_100011214892 [0,1,0,0,0,0|3,0,0]=4 1703 B10R0.77 CCN(CC)CCCC(C)C 269982a_100000724800_100011214892 [0,1,0,0,0,0|3,0,0]=4 1704 B10R0.77 CC[C@@H](CO)NCCC(C)C 2230a_100000709445_100000210312 [0,1,0,0,0,0|1,0,2]=4 1705 B10R0.77 CC[C@@H](CO)NCCC(C)C 269862a_100000709445_100000185833 [0,1,0,0,0,0|1,0,2]=4 1706 B10R0.82 C=CC(=O)NCC(O)C(C)C 240690a_100000759067_200121576911 [0,1,0,0,0,0|1,0,2]=4 1707 B10R0.82 CC(C)C(O)CNC(=O)CO 240690a_100000759067_100000210174 [0,1,0,0,0,0|2,0,0]=3 1708 B10R0.82 CC(C)C(O)CNC(=O)CO 527a_100000759067_100000210174 [0,1,0,0,0,0|2,0,0]=3 1709 B10R0.82 CC(C)N(C)CCC(=O)CF 1458a_100015184040_100015361967 [0,1,0,0,0,0|3,0,0]=4 1710 B10R0.82 CC(CO)OC[C@H](N)C(C)C 34a_100011830312_100012180447 [0,1,0,0,0,0|2,0,1]=4 1711 B10R0.82 CCC(=O)CCC(=O)N(C)C 1458a_100011200748_100000210202 [0,1,0,0,0,0|2,0,1]=4 1712 B10R0.82 CCC(=O)CCN(C)C(C)C 1458a_100015184040_100000210202 [0,1,0,0,0,0|2,0,0]=3 1713 B10R0.82 CCC(=O)CNC(=O)C(C)C 1458a_100000194582_100000210202 [0,1,0,0,0,0|2,0,1]=4 1714 B10R0.82 CCC(=O)COC(=O)C(C)C 1458a_100000210414_100000139345 [0,1,0,0,0,0|2,0,1]=4 1715 B10R0.82 CCC(=O)COC(C)C(C)C 7a_100000748068_100000747405 [0,1,0,0,0,0|2,0,0]=3 1716 B10R0.82 CCC(=O)NCC(=O)C(C)C 1458a_100000194589_100000210206 [0,1,0,0,0,0|1,0,1]=3 1717 B10R0.82 CCC(=O)NCC(=O)N(C)C 11a_100015183351_100000210414 [0,1,0,0,0,0|2,0,1]=4 1718 B10R0.82 CCC(=O)NCC(=O)N(C)C 11a_100102631434_100000194589 [0,1,0,0,0,0|2,0,1]=4 1719 B10R0.82 CCC(=O)NCC(=O)N(C)C 1626a_100102631434_100000194589 [0,1,0,0,0,0|2,0,1]=4 1720 B10R0.82 CCC(=O)NCC(=O)N(C)C 240690a_100015183351_100000210414 [0,1,0,0,0,0|2,0,1]=4 1721 B10R0.82 CCC(=O)NCC(=O)N(C)C 240690a_100102631434_100000194589 [0,1,0,0,0,0|2,0,1]=4 1722 B10R0.82 CCC(=O)NCC(=O)N(C)C 527a_100015183351_100000210414 [0,1,0,0,0,0|2,0,1]=4 1723 B10R0.82 CCC(=O)NCC(=O)N(C)C 527a_100102631434_100000194589 [0,1,0,0,0,0|2,0,1]=4 1724 B10R0.82 CCC(=O)NCC(O)C(C)C 11a_100000759067_100000210414 [0,1,0,0,0,0|1,0,0]=2 1725 B10R0.82 CCC(=O)NCC(O)C(C)C 240690a_100000759067_100000210414 [0,1,0,0,0,0|1,0,0]=2 1726 B10R0.82 CCC(=O)NCC(O)C(C)C 527a_100000759067_100000210414 [0,1,0,0,0,0|1,0,0]=2 1727 B10R0.82 CCC(=O)NN=C(C)C(C)C 4a_100000183195_100000211110 [0,1,0,0,0,0|2,0,1]=4 1728 B10R0.82 CCC(=O)NNC(=O)C(C)C 22a_100000183195_100000210198 [0,1,0,0,0,0|2,0,1]=4 1729 B10R0.82 CCC(=O)NNC(=O)C(C)C 22a_100000184118_100000210414 [0,1,0,0,0,0|2,0,1]=4 1730 B10R0.82 CCC(C)NCC(O)C(C)C 2230a_100000759067_100000758301 [0,1,0,0,0,0|2,0,1]=4 1731 B10R0.82 CCC(C)NCC(O)C(C)C 34a_100000759067_100011215416 [0,1,0,0,0,0|2,0,1]=4 1732 B10R0.82 CCC(C)OCC(=O)C(C)C 7a_100000210228_100000753385 [0,1,0,0,0,0|1,0,2]=4 1733 B10R0.82 CCC(C)OC[C@H](N)C(C)C 34a_100011830312_100011215416 [0,1,0,0,0,0|1,0,1]=3 1734 B10R0.82 CCS(=O)CCC(=O)C(C)C 1458a_100011387550_100000210206 [0,1,0,0,0,0|2,0,1]=4 1735 B10R0.82 CNC(=O)CCC(=O)C(C)C 1458a_100011309844_100000210206 [0,1,0,0,0,0|2,0,1]=4 1736 B10R0.82 CNC(=O)CCN(C)C(C)C 1626a_100102657272_100015184040 [0,1,0,0,0,0|3,0,0]=4 1737 B10R0.82 CNC(=O)CCN(C)C(C)C 2230a_100000750875_100000210206 [0,1,0,0,0,0|3,0,0]=4 1738 B10R0.82 CNC(=O)CCN(C)C(C)C 240690a_100102657272_100015184040 [0,1,0,0,0,0|3,0,0]=4 1739 B10R0.82 CNC(=O)CCN(C)C(C)C 269982a_100000750875_100000210206 [0,1,0,0,0,0|3,0,0]=4 1740 B10R0.82 CNC(=O)CCN(C)C(C)C 269982a_200000211004_100000737683 [0,1,0,0,0,0|3,0,0]=4 1741 B10R0.82 CNC(=O)CNC(C)C(C)C 2230a_100000211541_100000183359 [0,1,0,0,0,0|3,0,0]=4 1742 B10R0.82 CNC(=O)COC(C)C(C)C 7a_100000748068_100000183359 [0,1,0,0,0,0|3,0,0]=4 1743 B10R0.82 CNC(=O)NCC(O)C(C)C 2708a_100102657272_100000759067 [0,1,0,0,0,0|2,0,0]=3 1744 B10R0.82 CNC(=O)NCC(O)C(C)C 273464a_100000759067_100102657272 [0,1,0,0,0,0|2,0,0]=3 1745 B10R0.82 CNC(=O)NCC(O)C(C)C 273464a_100102657272_100000759067 [0,1,0,0,0,0|2,0,0]=3 1746 B10R0.82 CNC(=O)NCC(O)C(C)C 512a_100000759067_100102657272 [0,1,0,0,0,0|2,0,0]=3 1747 B10R0.82 CNC(=O)NCC(O)C(C)C 512a_106832991638_100000759067 [0,1,0,0,0,0|2,0,0]=3 1748 B10R0.82 COC(=O)CCC(=O)C(C)C 1458a_100000187943_100000210206 [0,1,0,0,0,0|2,0,1]=4 1749 B10R0.82 COC(=O)CCN(C)C(C)C 2230a_100000228967_200000210301 [0,1,0,0,0,0|3,0,0]=4 1750 B10R0.82 COC(=O)CCN(C)C(C)C 269982a_100000228967_200000210301 [0,1,0,0,0,0|3,0,0]=4 1751 B10R0.82 COC(=O)CCN(C)C(C)C 269982a_100025711912_100000210206 [0,1,0,0,0,0|3,0,0]=4 1752 B10R0.82 COC(=O)CCN(C)C(C)C 269982a_200000211004_100000204255 [0,1,0,0,0,0|3,0,0]=4 1753 B10R0.82 COC(=O)CCN([13CH3])C(C)C 2230a_100000228967_200025704644 [0,1,0,0,0,0|3,0,0]=4 1754 B10R0.82 COC(=O)CCN([13CH3])C(C)C 269982a_100000228967_200025704644 [0,1,0,0,0,0|3,0,0]=4 1755 B10R0.82 COC(=O)CNC(C)C(C)C 2230a_100000211541_100000747449 [0,1,0,0,0,0|3,0,0]=4 1756 B10R0.82 COC(=O)COC(C)C(C)C 7a_100000748068_100000747449 [0,1,0,0,0,0|3,0,0]=4 1757 B10R0.82 COC(=O)NCC(=O)C(C)C 1458a_100000215747_100000210206 [0,1,0,0,0,0|2,0,1]=4 1758 B10R0.98 C=C(Br)C(=O)NCCC(C)C 11a_100000210545_100009813364 [0,1,0,0,0,0|1,0,2]=4 1759 B10R0.98 C=C(Br)C(=O)NCCC(C)C 1626a_100000210545_100009813364 [0,1,0,0,0,0|1,0,2]=4 1760 B10R0.98 C=C(C)C(=O)CCCC(C)C 1458a_100000185857_100011214892 [0,1,0,0,0,0|1,0,1]=3 1761 B10R0.98 C=C(C)C(=O)CCCC(C)O 1458a_100000185857_200000718107 [0,1,0,0,0,0|2,0,1]=4 1762 B10R0.98 C=C(C)C(=O)CCCN(C)C 1458a_100000185857_100000695564 [0,1,0,0,0,0|2,0,1]=4 1763 B10R0.98 C=C(C)C(=O)CCOC(C)C 1458a_100000185857_100000211751 [0,1,0,0,0,0|2,0,1]=4 1764 B10R0.98 C=C(C)C(=O)CCSC(C)C 1458a_100000185857_100000730970 [0,1,0,0,0,0|2,0,1]=4 1765 B10R0.98 C=C(C)C(=O)NCCC(C)C 11a_100000210545_100000185857 [0,1,0,0,0,0|1,0,1]=3 1766 B10R0.98 C=C(C)C(=O)NCCC(C)C 1626a_100000210545_100000185857 [0,1,0,0,0,0|1,0,1]=3 1767 B10R0.98 C=C(C)C(=O)NNCC(C)C 22a_100000696102_100000185857 [0,1,0,0,0,0|2,0,1]=4 1768 B10R0.98 C=C(C)C(=O)OCCC(=O)C 1458a_100000070787_100009816335 [0,1,0,0,0,0|1,0,2]=4 1769 B10R0.98 C=C(C)C(=O)OCCN(C)C 2230a_100102631434_100009816335 [0,1,0,0,0,0|1,0,1]=3 1770 B10R0.98 C=C(C)C(=O)OCCN(C)C 269982a_100102631434_100009816335 [0,1,0,0,0,0|1,0,1]=3 1771 B10R0.98 C=C(Cl)C(=O)NCCC(C)C 11a_100000210545_100000039160 [0,1,0,0,0,0|1,0,2]=4 1772 B10R0.98 C=C(Cl)C(=O)NCCC(C)C 1626a_100000210545_100000039160 [0,1,0,0,0,0|1,0,2]=4 1773 B10R0.98 C=C(F)C(=O)NCCC(C)C 11a_100000210545_100000036797 [0,1,0,0,0,0|1,0,2]=4 1774 B10R0.98 C=C(F)C(=O)NCCC(C)C 1626a_100000210545_100000036797 [0,1,0,0,0,0|1,0,2]=4 1775 B10R0.98 CC(=CCCC(=O)C(C)C)C 1458a_100000210198_100011217483 [0,1,0,0,0,0|1,0,2]=4 1776 B10R0.98 CC(=CCCC(=O)C(C)F)C 1458a_100000062450_100011217483 [0,1,0,0,0,0|1,0,2]=4 1777 B10R0.98 CC(=CCCC(=O)[C@@H](C)O)C 1458a_100000717761_100011217483 [0,1,0,0,0,0|1,0,2]=4 1778 B10R0.98 CC(=CCCC(=O)[C@H](C)O)C 1458a_217856618621_100011217483 [0,1,0,0,0,0|1,0,2]=4 1779 B10R0.98 CC(=CCNC(=O)C(C)C)C 11a_100000718196_100000210198 [0,1,0,0,0,0|1,0,2]=4 1780 B10R0.98 CC(=CCNC(=O)C(C)C)C 1626a_100000718196_100000210198 [0,1,0,0,0,0|1,0,2]=4 1781 B10R0.98 CC(=CCNC(=O)C(C)C)C 527a_100000718196_100000210198 [0,1,0,0,0,0|1,0,2]=4 1782 B10R0.98 CC(=CCNC(=O)C(C)F)C 11a_100000718196_100000062450 [0,1,0,0,0,0|1,0,2]=4 1783 B10R0.98 CC(=CCNC(=O)C(C)F)C 1626a_100000718196_100000062450 [0,1,0,0,0,0|1,0,2]=4 1784 B10R0.98 CC(=CCNC(=O)C(C)F)C 527a_100000718196_100000062450 [0,1,0,0,0,0|1,0,2]=4 1785 B10R0.98 CC(=CCNC(=O)[C@H](C)O)C 1626a_100000718196_217856618621 [0,1,0,0,0,0|1,0,2]=4 1786 B10R0.98 CC(=O)C(=O)CNCC(C)C 34a_100000210953_100011261029 [0,1,0,0,0,0|2,0,1]=4 1787 B10R0.98 CC(=O)C(=O)COCC(C)C 34a_100000210257_100011261029 [0,1,0,0,0,0|2,0,1]=4 1788 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100000210624_100011261029 [0,1,0,0,0,0|2,0,1]=4 1789 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100011261029_100000210760 [0,1,0,0,0,0|2,0,1]=4 1790 B10R0.98 CC(=O)C(C)OCCC(C)C 34a_100000212229_100000210312 [0,1,0,0,0,0|1,0,2]=4 1791 B10R0.98 CC(=O)C(C)OCCC(C)C 7a_100000210254_100000179758 [0,1,0,0,0,0|1,0,2]=4 1792 B10R0.98 CC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215641 [0,1,0,0,0,0|2,0,1]=4 1793 B10R0.98 CC(=O)CCCC(=O)C(C)F 1458a_100000062450_100011215641 [0,1,0,0,0,0|2,0,1]=4 1794 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [0,1,0,0,0,0|2,0,1]=4 1795 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [0,1,0,0,0,0|2,0,1]=4 1796 B10R0.98 CC(Br)COCC(=O)C(C)C 34a_100012180447_100000753385 [0,1,0,0,0,0|3,0,0]=4 1797 B10R0.98 CC(C)/C=C/CC(=O)C(C)C 1458a_100016292215_100000210206 [0,1,0,0,0,0|1,0,2]=4 1798 B10R0.98 CC(C)C(=O)C=CCN(C)C 1458a_100000754359_100000210206 [0,1,0,0,0,0|2,0,1]=4 1799 B10R0.98 CC(C)C(=O)CCCN(C)C 1458a_100000210198_100000695564 [0,1,0,0,0,0|2,0,0]=3 1800 B10R0.98 CC(C)C(=O)COC[C@@H](C)Cl 34a_100016084084_100000753385 [0,1,0,0,0,0|3,0,0]=4 1801 B10R0.98 CC(C)C(=O)COC[C@@H](C)N 34a_100000737577_100000753385 [0,1,0,0,0,0|3,0,0]=4 1802 B10R0.98 CC(C)C(=O)CSC[C@@H](C)O 62a_100000753385_100009817552 [0,1,0,0,0,0|3,0,0]=4 1803 B10R0.98 CC(C)C(=O)CSC[C@@H](C)O 62a_100009817552_100000753385 [0,1,0,0,0,0|3,0,0]=4 1804 B10R0.98 CC(C)C(=O)NCCN(C)C 240690a_100000210585_100000210198 [0,1,0,0,0,0|2,0,0]=3 1805 B10R0.98 CC(C)C(=O)NCCN(C)C 527a_100000210585_100000210198 [0,1,0,0,0,0|2,0,0]=3 1806 B10R0.98 CC(C)C(C)OCCN(C)C 7a_100000748068_100000755713 [0,1,0,0,0,0|2,0,1]=4 1807 B10R0.98 CC(C)C=NNC(=O)C(C)C 4a_100000184118_100000210432 [0,1,0,0,0,0|2,0,1]=4 1808 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100000210198_100011214892 [0,1,0,0,0,0|1,0,0]=2 1809 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100011216857_100000210206 [0,1,0,0,0,0|1,0,0]=2 1810 B10R0.98 CC(C)CCCC(=O)C(C)F 1458a_100000062450_100011214892 [0,1,0,0,0,0|1,0,0]=2 1811 B10R0.98 CC(C)CCCC(=O)C(O)O 1458a_100000233687_100011214892 [0,1,0,0,0,0|2,0,0]=3 1812 B10R0.98 CC(C)CCCC(=O)N(C)C 11a_100102631434_100011216857 [0,1,0,0,0,0|2,0,0]=3 1813 B10R0.98 CC(C)CCCC(=O)N(C)C 1626a_100102631434_100011216857 [0,1,0,0,0,0|2,0,0]=3 1814 B10R0.98 CC(C)CCCC(=O)N(C)C 240690a_100102631434_100011216857 [0,1,0,0,0,0|2,0,0]=3 1815 B10R0.98 CC(C)CCCC(=O)N(C)C 527a_100102631434_100011216857 [0,1,0,0,0,0|2,0,0]=3 1816 B10R0.98 CC(C)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011214892 [0,1,0,0,0,0|1,0,0]=2 1817 B10R0.98 CC(C)CCCC(=O)[C@H](C)O 1458a_217856618621_100011214892 [0,1,0,0,0,0|1,0,0]=2 1818 B10R0.98 CC(C)CCCN(C)C(C)C 269982a_200000211004_100011214892 [0,1,0,0,0,0|3,0,0]=4 1819 B10R0.98 CC(C)CCNC(=O)C(=O)N 240690a_100000210545_100011215815 [0,1,0,0,0,0|2,0,1]=4 1820 B10R0.98 CC(C)CCNC(=O)C(C)C 11a_100000210545_100000210198 [0,1,0,0,0,0|1,0,0]=2 1821 B10R0.98 CC(C)CCNC(=O)C(C)C 1626a_100000210545_100000210198 [0,1,0,0,0,0|1,0,0]=2 1822 B10R0.98 CC(C)CCNC(=O)C(C)C 240690a_100000210545_100000210198 [0,1,0,0,0,0|1,0,0]=2 1823 B10R0.98 CC(C)CCNC(=O)C(C)C 527a_100000210545_100000210198 [0,1,0,0,0,0|1,0,0]=2 1824 B10R0.98 CC(C)CCNC(=O)C(C)F 11a_100000210545_100000062450 [0,1,0,0,0,0|1,0,0]=2 1825 B10R0.98 CC(C)CCNC(=O)C(C)F 1626a_100000210545_100000062450 [0,1,0,0,0,0|1,0,0]=2 1826 B10R0.98 CC(C)CCNC(=O)C(C)F 240690a_100000210545_100000062450 [0,1,0,0,0,0|1,0,0]=2 1827 B10R0.98 CC(C)CCNC(=O)C(C)F 527a_100000210545_100000062450 [0,1,0,0,0,0|1,0,0]=2 1828 B10R0.98 CC(C)CCNC(=O)C(F)F 11a_100000210545_100000210393 [0,1,0,0,0,0|2,0,0]=3 1829 B10R0.98 CC(C)CCNC(=O)C(F)F 1626a_100000210545_100000210393 [0,1,0,0,0,0|2,0,0]=3 1830 B10R0.98 CC(C)CCNC(=O)C(F)F 240690a_100000210545_100000210393 [0,1,0,0,0,0|2,0,0]=3 1831 B10R0.98 CC(C)CCNC(=O)C(F)F 527a_100000210545_100000210393 [0,1,0,0,0,0|2,0,0]=3 1832 B10R0.98 CC(C)CCNC(=O)C(O)O 240690a_100000210545_100000233687 [0,1,0,0,0,0|2,0,0]=3 1833 B10R0.98 CC(C)CCNC(=O)N(C)C 2708a_100000210545_100102631434 [0,1,0,0,0,0|2,0,0]=3 1834 B10R0.98 CC(C)CCNC(=O)[C@@H](C)O 240690a_100000210545_100000717761 [0,1,0,0,0,0|1,0,0]=2 1835 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 1626a_100000210545_217856618621 [0,1,0,0,0,0|1,0,0]=2 1836 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 240690a_100000210545_217856618621 [0,1,0,0,0,0|1,0,0]=2 1837 B10R0.98 CC(C)CCNC(C)C(C)C 2230a_100000211541_100000210312 [0,1,0,0,0,0|2,0,1]=4 1838 B10R0.98 CC(C)CCNC(C)C(C)C 269862a_100000211541_100000185833 [0,1,0,0,0,0|2,0,1]=4 1839 B10R0.98 CC(C)CCOC(C)C(C)C 7a_100000748068_100000210626 [0,1,0,0,0,0|1,0,1]=3 1840 B10R0.98 CC(C)CNCC(=O)C(C)C 2230a_100000210953_100000753385 [0,1,0,0,0,0|2,0,0]=3 1841 B10R0.98 CC(C)CNCC(=O)C(C)C 34a_100000210953_100000753385 [0,1,0,0,0,0|2,0,0]=3 1842 B10R0.98 CC(C)CNCC(=O)N(C)C 2230a_100000210953_100000185267 [0,1,0,0,0,0|3,0,0]=4 1843 B10R0.98 CC(C)CNCC(=O)N(C)C 2230a_100015183351_100000210760 [0,1,0,0,0,0|3,0,0]=4 1844 B10R0.98 CC(C)CNCC(=O)N(C)C 270004a_100015183351_100000210432 [0,1,0,0,0,0|3,0,0]=4 1845 B10R0.98 CC(C)CNCC(=O)N(C)C 34a_100000210953_100000692301 [0,1,0,0,0,0|3,0,0]=4 1846 B10R0.98 CC(C)CNNC(=O)C(C)C 22a_100000696102_100000210198 [0,1,0,0,0,0|2,0,0]=3 1847 B10R0.98 CC(C)CNNC(=O)C(C)F 22a_100000696102_100000062450 [0,1,0,0,0,0|2,0,0]=3 1848 B10R0.98 CC(C)CNNC(=O)C(F)F 22a_100000696102_100000210393 [0,1,0,0,0,0|3,0,0]=4 1849 B10R0.98 CC(C)CNNC(=O)C(O)O 22a_100000696102_100000233687 [0,1,0,0,0,0|3,0,0]=4 1850 B10R0.98 CC(C)CNNC(=O)[C@@H](C)O 22a_100000696102_100000717761 [0,1,0,0,0,0|2,0,0]=3 1851 B10R0.98 CC(C)CNNC(=O)[C@H](C)O 22a_100000696102_217856618621 [0,1,0,0,0,0|2,0,0]=3 1852 B10R0.98 CC(C)COCC(=O)C(C)C 1458a_100011223364_100000210206 [0,1,0,0,0,0|2,0,0]=3 1853 B10R0.98 CC(C)COCC(=O)C(C)C 34a_100000210257_100000753385 [0,1,0,0,0,0|2,0,0]=3 1854 B10R0.98 CC(C)COCC(=O)N(C)C 11a_100102631434_100011223364 [0,1,0,0,0,0|3,0,0]=4 1855 B10R0.98 CC(C)COCC(=O)N(C)C 1626a_100102631434_100011223364 [0,1,0,0,0,0|3,0,0]=4 1856 B10R0.98 CC(C)COCC(=O)N(C)C 240690a_100102631434_100011223364 [0,1,0,0,0,0|3,0,0]=4 1857 B10R0.98 CC(C)COCC(=O)N(C)C 34a_100000210257_100000692301 [0,1,0,0,0,0|3,0,0]=4 1858 B10R0.98 CC(C)COCC(=O)N(C)C 527a_100102631434_100011223364 [0,1,0,0,0,0|3,0,0]=4 1859 B10R0.98 CC(C)CSCC(=O)C(C)C 62a_100000210624_100000753385 [0,1,0,0,0,0|2,0,0]=3 1860 B10R0.98 CC(C)CSCC(=O)C(C)C 62a_100000753385_100000210760 [0,1,0,0,0,0|2,0,0]=3 1861 B10R0.98 CC(C)CSCC(=O)N(C)C 62a_100000210624_100000692301 [0,1,0,0,0,0|3,0,0]=4 1862 B10R0.98 CC(C)CSCC(=O)N(C)C 62a_100000692301_100000210760 [0,1,0,0,0,0|3,0,0]=4 1863 B10R0.98 CC(C)NCCC(=O)N(C)C 2230a_100000738053_100000210206 [0,1,0,0,0,0|3,0,0]=4 1864 B10R0.98 CC(C)NCCC(=O)N(C)C 2230a_100138425928_100000737620 [0,1,0,0,0,0|3,0,0]=4 1865 B10R0.98 CC(C)OCCC(=O)C(C)C 1458a_100000210198_100000211751 [0,1,0,0,0,0|2,0,0]=3 1866 B10R0.98 CC(C)OCCC(=O)C(C)F 1458a_100000062450_100000211751 [0,1,0,0,0,0|2,0,0]=3 1867 B10R0.98 CC(C)OCCC(=O)C(O)O 1458a_100000233687_100000211751 [0,1,0,0,0,0|3,0,0]=4 1868 B10R0.98 CC(C)OCCC(=O)N(C)C 34a_200000747469_100000210206 [0,1,0,0,0,0|3,0,0]=4 1869 B10R0.98 CC(C)OCCC(=O)[C@@H](C)O 1458a_100000717761_100000211751 [0,1,0,0,0,0|2,0,0]=3 1870 B10R0.98 CC(C)OCCC(=O)[C@H](C)O 1458a_217856618621_100000211751 [0,1,0,0,0,0|2,0,0]=3 1871 B10R0.98 CC(C)SCCC(=O)C(C)C 1458a_100000210198_100000730970 [0,1,0,0,0,0|2,0,0]=3 1872 B10R0.98 CC(C)SCCC(=O)C(C)F 1458a_100000062450_100000730970 [0,1,0,0,0,0|2,0,0]=3 1873 B10R0.98 CC(C)SCCC(=O)C(O)O 1458a_100000233687_100000730970 [0,1,0,0,0,0|3,0,0]=4 1874 B10R0.98 CC(C)SCCC(=O)N(C)C 62a_100000210206_100000737620 [0,1,0,0,0,0|3,0,0]=4 1875 B10R0.98 CC(C)SCCC(=O)N(C)C 62a_100000737620_100000210206 [0,1,0,0,0,0|3,0,0]=4 1876 B10R0.98 CC(C)SCCC(=O)[C@@H](C)O 1458a_100000717761_100000730970 [0,1,0,0,0,0|2,0,0]=3 1877 B10R0.98 CC(C)SCCC(=O)[C@H](C)O 1458a_217856618621_100000730970 [0,1,0,0,0,0|2,0,0]=3 1878 B10R0.98 CC(C)SCOC(=O)C(C)C 62a_100000139345_100000210206 [0,1,0,0,0,0|1,0,0]=2 1879 B10R0.98 CC(C)SCOC(=O)C(C)C 62a_100000210206_100000139345 [0,1,0,0,0,0|1,0,0]=2 1880 B10R0.98 CC(F)C(=O)CCCN(C)C 1458a_100000062450_100000695564 [0,1,0,0,0,0|2,0,0]=3 1881 B10R0.98 CC(F)C(=O)NCCN(C)C 240690a_100000210585_100000062450 [0,1,0,0,0,0|2,0,0]=3 1882 B10R0.98 CC(F)C(=O)NCCN(C)C 527a_100000210585_100000062450 [0,1,0,0,0,0|2,0,0]=3 1883 B10R0.98 CC(F)COCC(=O)C(C)C 34a_100015925927_100000753385 [0,1,0,0,0,0|3,0,0]=4 1884 B10R0.98 CC(O)CCCC(=O)C(C)C 1458a_100000210198_200000718107 [0,1,0,0,0,0|2,0,0]=3 1885 B10R0.98 CC(O)CCCC(=O)C(C)F 1458a_100000062450_200000718107 [0,1,0,0,0,0|2,0,0]=3 1886 B10R0.98 CC(O)CCCC(=O)C(O)O 1458a_100000233687_200000718107 [0,1,0,0,0,0|3,0,0]=4 1887 B10R0.98 CC(O)CCCC(=O)N(C)C 1626a_100102631434_100000761597 [0,1,0,0,0,0|3,0,0]=4 1888 B10R0.98 CC(O)CCCC(=O)N(C)C 527a_100102631434_100000761597 [0,1,0,0,0,0|3,0,0]=4 1889 B10R0.98 CC(O)CCCC(=O)[C@@H](C)O 1458a_100000717761_200000718107 [0,1,0,0,0,0|2,0,0]=3 1890 B10R0.98 CC(O)CCCC(=O)[C@H](C)O 1458a_217856618621_200000718107 [0,1,0,0,0,0|2,0,0]=3 1891 B10R0.98 CC(O)CCNC(=O)C(C)C 240690a_200000755665_100000210198 [0,1,0,0,0,0|2,0,0]=3 1892 B10R0.98 CC(O)CCNC(=O)C(C)C 527a_200000755665_100000210198 [0,1,0,0,0,0|2,0,0]=3 1893 B10R0.98 CC(O)CCNC(=O)C(C)F 240690a_200000755665_100000062450 [0,1,0,0,0,0|2,0,0]=3 1894 B10R0.98 CC(O)CCNC(=O)C(C)F 527a_200000755665_100000062450 [0,1,0,0,0,0|2,0,0]=3 1895 B10R0.98 CC(O)CCNC(=O)C(F)F 240690a_200000755665_100000210393 [0,1,0,0,0,0|3,0,0]=4 1896 B10R0.98 CC(O)CCNC(=O)C(F)F 527a_200000755665_100000210393 [0,1,0,0,0,0|3,0,0]=4 1897 B10R0.98 CC(O)CCNC(=O)C(O)O 240690a_200000755665_100000233687 [0,1,0,0,0,0|3,0,0]=4 1898 B10R0.98 CC(O)CCNC(=O)[C@@H](C)O 240690a_200000755665_100000717761 [0,1,0,0,0,0|2,0,0]=3 1899 B10R0.98 CC(O)CCNC(=O)[C@H](C)O 240690a_200000755665_217856618621 [0,1,0,0,0,0|2,0,0]=3 1900 B10R0.98 CC(O)CCOC(C)C(C)C 7a_100000748068_100012276601 [0,1,0,0,0,0|2,0,1]=4 1901 B10R0.98 CC(O)CNCC(=O)C(C)C 2230a_100000210904_100000753385 [0,1,0,0,0,0|3,0,0]=4 1902 B10R0.98 CC(O)CNCC(=O)C(C)C 34a_100000210904_100000753385 [0,1,0,0,0,0|3,0,0]=4 1903 B10R0.98 CC(O)CNNC(=O)C(C)C 22a_200000730056_100000210198 [0,1,0,0,0,0|3,0,0]=4 1904 B10R0.98 CC(O)CNNC(=O)C(C)F 22a_200000730056_100000062450 [0,1,0,0,0,0|3,0,0]=4 1905 B10R0.98 CC(O)CNNC(=O)[C@@H](C)O 22a_200000730056_100000717761 [0,1,0,0,0,0|3,0,0]=4 1906 B10R0.98 CC(O)CNNC(=O)[C@H](C)O 22a_200000730056_217856618621 [0,1,0,0,0,0|3,0,0]=4 1907 B10R0.98 CC(O)CSCC(=O)C(C)C 62a_100000753385_100011218427 [0,1,0,0,0,0|3,0,0]=4 1908 B10R0.98 CC(O)CSCC(=O)C(C)C 62a_100011218427_100000753385 [0,1,0,0,0,0|3,0,0]=4 1909 B10R0.98 CN(C)CCCC(=O)C(O)O 1458a_100000233687_100000695564 [0,1,0,0,0,0|3,0,0]=4 1910 B10R0.98 CN(C)CCCC(=O)N(C)C 11a_100102631434_100000740757 [0,1,0,0,0,0|3,0,0]=4 1911 B10R0.98 CN(C)CCCC(=O)N(C)C 2230a_100102631434_100000737642 [0,1,0,0,0,0|3,0,0]=4 1912 B10R0.98 CN(C)CCCC(=O)N(C)C 240690a_100102631434_100000740757 [0,1,0,0,0,0|3,0,0]=4 1913 B10R0.98 CN(C)CCCC(=O)N(C)C 269982a_100102631434_100000737642 [0,1,0,0,0,0|3,0,0]=4 1914 B10R0.98 CN(C)CCNC(=O)C(F)F 240690a_100000210585_100000210393 [0,1,0,0,0,0|3,0,0]=4 1915 B10R0.98 CN(C)CCNC(=O)C(F)F 527a_100000210585_100000210393 [0,1,0,0,0,0|3,0,0]=4 1916 B10R0.98 CN(C)CCNC(=O)C(O)O 240690a_100000210585_100000233687 [0,1,0,0,0,0|3,0,0]=4 1917 B10R0.98 C[C@@H](O)C(=O)CCCN(C)C 1458a_100000717761_100000695564 [0,1,0,0,0,0|2,0,0]=3 1918 B10R0.98 C[C@@H](O)C(=O)NCCN(C)C 240690a_100000210585_100000717761 [0,1,0,0,0,0|2,0,0]=3 1919 B10R0.98 C[C@H](O)C(=O)CCCN(C)C 1458a_217856618621_100000695564 [0,1,0,0,0,0|2,0,0]=3 1920 B10R0.98 C[C@H](O)C(=O)NCCN(C)C 240690a_100000210585_217856618621 [0,1,0,0,0,0|2,0,0]=3 1921 B10R1.13 C=C1CCC(CC1)N(C)C 270004a_100102631434_100010272673 [0,0,0,1,0,0|3,0,0]=4 1922 B10R1.13 C=C1CCN(CC1)C(C)C 2230a_100000752442_100000210206 [0,0,0,1,0,0|3,0,0]=4 1923 B10R1.13 C=C1CCN(CC1)C(C)C 269982a_100000752442_100000210206 [0,0,0,1,0,0|3,0,0]=4 1924 B10R1.13 C=C1CCN(CC1)C(C)C 34a_100000752442_100000210206 [0,0,0,1,0,0|3,0,0]=4 1925 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [0,0,0,1,0,0|2,0,1]=4 1926 B10R1.13 CC(C)C1CCN(CC1)C 2230a_100000762885_200000210301 [0,0,0,1,0,0|3,0,0]=4 1927 B10R1.13 CC(C)C1CCN(CC1)C 269982a_100000762885_200000210301 [0,0,0,1,0,0|3,0,0]=4 1928 B10R1.13 CC(C)C1CCN(CC1)C 34a_100000762885_200000210301 [0,0,0,1,0,0|3,0,0]=4 1929 B10R1.13 CC(C)C1CCN(CC1)[13CH3] 2230a_100000762885_200025704644 [0,0,0,1,0,0|3,0,0]=4 1930 B10R1.13 CC(C)C1CCN(CC1)[13CH3] 269982a_100000762885_200025704644 [0,0,0,1,0,0|3,0,0]=4 1931 B10R1.13 CC(C)C1CCN(CC1)[13CH3] 34a_100000762885_200025704644 [0,0,0,1,0,0|3,0,0]=4 1932 B10R1.13 CC(C)N1CCS(=O)CC1 2230a_100000752083_100000210206 [0,0,0,1,0,0|3,0,0]=4 1933 B10R1.13 CC(C)N1CCS(=O)CC1 269982a_100000752083_100000210206 [0,0,0,1,0,0|3,0,0]=4 1934 B10R1.13 CC1=CCN(CC1)C(C)C 2230a_100000693516_100000210206 [0,0,0,1,0,0|3,0,0]=4 1935 B10R1.13 CC1=CCN(CC1)C(C)C 269982a_100000693516_100000210206 [0,0,0,1,0,0|3,0,0]=4 1936 B10R1.13 CC1=CCN(CC1)C(C)C 34a_100000693516_100000210206 [0,0,0,1,0,0|3,0,0]=4 1937 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [0,0,0,1,0,0|2,0,1]=4 1938 B10R1.14 C=CC(=O)N1CC[C@H](C1)C 240690a_100016987628_200121576911 [0,0,0,1,0,0|1,0,2]=4 1939 B10R1.14 CCC(=O)C1CCC(C1)O 1458a_100000688591_100000210202 [0,0,0,1,0,0|2,0,0]=3 1940 B10R1.14 CCC(=O)C1CCN(C1)C 1458a_100000739633_100000210202 [0,0,0,1,0,0|2,0,0]=3 1941 B10R1.14 CCC(=O)N1CCC(C1)O 240690a_100011215560_100000210414 [0,0,0,1,0,0|2,0,0]=3 1942 B10R1.14 CCC(=O)N1CCC(C1)O 527a_100011215560_100000210414 [0,0,0,1,0,0|2,0,0]=3 1943 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000210414 [0,0,0,1,0,0|2,0,0]=3 1944 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000210414 [0,0,0,1,0,0|2,0,0]=3 1945 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000210414 [0,0,0,1,0,0|2,0,0]=3 1946 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000210414 [0,0,0,1,0,0|2,0,0]=3 1947 B10R1.14 CCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210414 [0,0,0,1,0,0|1,0,0]=2 1948 B10R1.14 CCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210414 [0,0,0,1,0,0|1,0,0]=2 1949 B10R1.14 CCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210414 [0,0,0,1,0,0|1,0,0]=2 1950 B10R1.14 CCC(C)N1CC[C@H](C1)C 2230a_100016987628_100000758301 [0,0,0,1,0,0|2,0,1]=4 1951 B10R1.14 CCC(C)N1CC[C@H](C1)C 269982a_100016987628_100000758301 [0,0,0,1,0,0|2,0,1]=4 1952 B10R1.14 CCC(C)N1CC[C@H](C1)C 34a_100016987628_100011215416 [0,0,0,1,0,0|2,0,1]=4 1953 B10R1.14 CN1CCC(C1)C(=O)CF 1458a_100000739633_100015361967 [0,0,0,1,0,0|3,0,0]=4 1954 B10R1.14 CNC(=O)C1CCC(C1)O 1626a_100102657272_100000688591 [0,0,0,1,0,0|3,0,0]=4 1955 B10R1.14 CNC(=O)C1CCC(C1)O 240690a_100102657272_100000688591 [0,0,0,1,0,0|3,0,0]=4 1956 B10R1.14 CNC(=O)C1CCN(C1)C 2230a_100020588580_200000210301 [0,0,0,1,0,0|3,0,0]=4 1957 B10R1.14 CNC(=O)C1CCN(C1)C 240690a_100102657272_100000739633 [0,0,0,1,0,0|3,0,0]=4 1958 B10R1.14 CNC(=O)C1CCN(C1)C 269982a_100020588580_200000210301 [0,0,0,1,0,0|3,0,0]=4 1959 B10R1.14 CNC(=O)C1CCN(C1)C 34a_100020588580_200000210301 [0,0,0,1,0,0|3,0,0]=4 1960 B10R1.14 CNC(=O)C1CCN(C1)C 527a_100102657272_100000739633 [0,0,0,1,0,0|3,0,0]=4 1961 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 2230a_100020588580_200025704644 [0,0,0,1,0,0|3,0,0]=4 1962 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 269982a_100020588580_200025704644 [0,0,0,1,0,0|3,0,0]=4 1963 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 34a_100020588580_200025704644 [0,0,0,1,0,0|3,0,0]=4 1964 B10R1.14 CNC(=O)N1CCC(C1)O 2708a_100102657272_100011215560 [0,0,0,1,0,0|3,0,0]=4 1965 B10R1.14 CNC(=O)N1CCC(C1)O 273464a_100102657272_100011215560 [0,0,0,1,0,0|3,0,0]=4 1966 B10R1.14 CNC(=O)N1CC[C@@H](C1)F 2708a_100102657272_100015203821 [0,0,0,1,0,0|3,0,0]=4 1967 B10R1.14 CNC(=O)N1CC[C@@H](C1)F 273464a_100102657272_100015203821 [0,0,0,1,0,0|3,0,0]=4 1968 B10R1.14 CNC(=O)N1CC[C@H](C1)C 2708a_100102657272_100016987628 [0,0,0,1,0,0|2,0,0]=3 1969 B10R1.14 CNC(=O)N1CC[C@H](C1)C 273464a_100102657272_100016987628 [0,0,0,1,0,0|2,0,0]=3 1970 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 2230a_100016989057_200000210301 [0,0,0,1,0,0|3,0,0]=4 1971 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 269982a_100016989057_200000210301 [0,0,0,1,0,0|3,0,0]=4 1972 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 2230a_100016989057_200025704644 [0,0,0,1,0,0|3,0,0]=4 1973 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 269982a_100016989057_200025704644 [0,0,0,1,0,0|3,0,0]=4 1974 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 240690a_100016987628_100000210174 [0,0,0,1,0,0|2,0,0]=3 1975 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 527a_100016987628_100000210174 [0,0,0,1,0,0|2,0,0]=3 1976 B10R1.14 O=C(CF)C1CCC(C1)O 1458a_100000688591_100015361967 [0,0,0,1,0,0|3,0,0]=4 1977 B10R1.14 O=C(CO)N1CCC(C1)O 240690a_100011215560_100000210174 [0,0,0,1,0,0|3,0,0]=4 1978 B10R1.14 O=C(CO)N1CCC(C1)O 527a_100011215560_100000210174 [0,0,0,1,0,0|3,0,0]=4 1979 B10R1.14 O=C(CO)N1CC[C@@H](C1)F 240690a_100015203821_100000210174 [0,0,0,1,0,0|3,0,0]=4 1980 B10R1.14 O=C(CO)N1CC[C@@H](C1)F 527a_100015203821_100000210174 [0,0,0,1,0,0|3,0,0]=4 1981 B10R1.31 CCc1nc(no1)C(C)C 270196a_100000210513_100000210414 [0,0,0,1,0,0|2,0,1]=4 1982 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [0,0,0,1,0,0|2,0,1]=4 1983 B10R1.54 CC(=O)CC1CNC(=O)O1 1458a_100000070787_100000181169 [0,0,0,1,0,0|2,0,1]=4 1984 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,0,0,1,0,0|2,0,1]=4 1985 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [0,0,0,1,0,0|2,0,1]=4 1986 B10R1.54 CC(C)CN1CNC(=O)C1 2230a_200000708111_100000210760 [0,0,0,1,0,0|3,0,0]=4 1987 B10R1.54 CC(C)NC1CNC(=O)C1 2230a_100000697751_100000210206 [0,0,0,1,0,0|3,0,0]=4 1988 B10R1.54 CC(C)NC1COC(=O)O1 34a_100138425928_100000032252 [0,0,0,1,0,0|2,0,0]=3 1989 B10R1.54 CC(C)OC1CCC(=O)C1 34a_100012614533_100000210206 [0,0,0,1,0,0|2,0,0]=3 1990 B10R1.54 CC(C)OC1CNC(=O)C1 34a_100000690082_100000210206 [0,0,0,1,0,0|3,0,0]=4 1991 B10R1.54 CC(C)OC1COC(=O)O1 34a_100000212225_100000032252 [0,0,0,1,0,0|2,0,0]=3 1992 B10R1.54 CC(C)SC1COC(=O)O1 62a_100000210206_100000032252 [0,0,0,1,0,0|2,0,0]=3 1993 B10R1.54 CN(C)CC1CNC(=O)O1 2230a_100102631434_100000181169 [0,0,0,1,0,0|2,0,0]=3 1994 B10R1.54 CN(C)CC1CNC(=O)O1 269982a_100102631434_100000181169 [0,0,0,1,0,0|2,0,0]=3 1995 B10R1.54 CN(C)CC1COC(=O)O1 269982a_100102631434_100000073702 [0,0,0,1,0,0|2,0,0]=3 1996 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 2230a_100102631434_100015189358 [0,0,0,1,0,0|2,0,0]=3 1997 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 269982a_100102631434_100015189358 [0,0,0,1,0,0|2,0,0]=3 1998 B10R1.54 CN(C)C[C@H]1COC(=O)N1 2230a_100102631434_100015307671 [0,0,0,1,0,0|3,0,0]=4 1999 B10R1.54 CN(C)C[C@H]1COC(=O)N1 269982a_100102631434_100015307671 [0,0,0,1,0,0|3,0,0]=4 2000 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [0,0,0,1,0,0|2,0,1]=4 2001 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,0,0,1,0,0|2,0,1]=4 2002 B10R1.117 CC(Br)COC1CCC1=O 34a_100012180447_100009892977 [0,0,0,1,0,0|3,0,0]=4 2003 B10R1.117 CC(C)CCN1CCC1C 269982a_100000755817_100000210312 [0,0,0,1,0,0|2,0,1]=4 2004 B10R1.117 CC(C)CCN1CCC1C 34a_100000755817_100000210312 [0,0,0,1,0,0|2,0,1]=4 2005 B10R1.117 CC(C)CNC1CCC1=O 34a_100000210953_100009892977 [0,0,0,1,0,0|2,0,0]=3 2006 B10R1.117 CC(C)COC1CCC1=O 34a_100000210257_100009892977 [0,0,0,1,0,0|2,0,0]=3 2007 B10R1.117 CC(C)CSC1CCC1=O 62a_100000210624_100009892977 [0,0,0,1,0,0|2,0,0]=3 2008 B10R1.117 CC(C)CSC1CCC1=O 62a_100009892977_100000210760 [0,0,0,1,0,0|2,0,0]=3 2009 B10R1.117 CC(F)COC1CCC1=O 34a_100015925927_100009892977 [0,0,0,1,0,0|3,0,0]=4 2010 B10R1.117 CC(O)CNC1CCC1=O 34a_100000210904_100009892977 [0,0,0,1,0,0|3,0,0]=4 2011 B10R1.117 CC(O)CSC1CCC1=O 62a_100009892977_100011218427 [0,0,0,1,0,0|3,0,0]=4 2012 B10R1.117 CC(O)CSC1CCC1=O 62a_100011218427_100009892977 [0,0,0,1,0,0|3,0,0]=4 2013 B10R1.117 CN(C)CCC1CCC1=O 2230a_100102631434_200016118888 [0,0,0,1,0,0|2,0,0]=3 2014 B10R1.117 CN(C)CCC1CCC1=O 269982a_100102631434_200016118888 [0,0,0,1,0,0|2,0,0]=3 2015 B10R1.117 C[C@@H](Cl)COC1CCC1=O 34a_100016084084_100009892977 [0,0,0,1,0,0|3,0,0]=4 2016 B10R1.117 C[C@@H](N)COC1CCC1=O 34a_100000737577_100009892977 [0,0,0,1,0,0|3,0,0]=4 2017 B10R1.117 C[C@@H](O)CSC1CCC1=O 62a_100009817552_100009892977 [0,0,0,1,0,0|3,0,0]=4 2018 B10R1.117 C[C@@H](O)CSC1CCC1=O 62a_100009892977_100009817552 [0,0,0,1,0,0|3,0,0]=4 2019 B10R1.127 CC(Br)CCOC1CCC1 34a_100009893172_100000749161 [0,0,0,1,0,0|2,0,1]=4 2020 B10R1.127 CC(C)CCCN1CCC1 269982a_100000754969_100011214892 [0,0,0,1,0,0|3,0,0]=4 2021 B10R1.127 CC(C)CCNC1CCC1 2230a_100000749019_100000210312 [0,0,0,1,0,0|2,0,1]=4 2022 B10R1.127 CC(C)CCNC1CCC1 269862a_100000749019_100000185833 [0,0,0,1,0,0|2,0,1]=4 2023 B10R1.127 CC(C)CCNC1CCC1 270004a_100000210545_100000241760 [0,0,0,1,0,0|2,0,1]=4 2024 B10R1.127 CC(C)CCNC1CCC1 34a_100000749019_100000210312 [0,0,0,1,0,0|2,0,1]=4 2025 B10R1.127 CC(C)CCOC1CCC1 34a_100000210254_100000749161 [0,0,0,1,0,0|1,0,1]=3 2026 B10R1.127 CC(C)CCOC1CCC1 34a_100000748187_100000210312 [0,0,0,1,0,0|1,0,1]=3 2027 B10R1.127 CC(C)CCOC1COC1 34a_100000210254_100009818527 [0,0,0,1,0,0|2,0,1]=4 2028 B10R1.127 CC(C)CCOC1COC1 7a_100000210254_100009818527 [0,0,0,1,0,0|2,0,1]=4 2029 B10R1.127 CC(C)CCOC1CSC1 7a_100000072292_100000210626 [0,0,0,1,0,0|2,0,1]=4 2030 B10R1.127 CC(C)CCSC1CCC1 62a_100000210312_100000749161 [0,0,0,1,0,0|1,1,1]=4 2031 B10R1.127 CC(C)OCOC1CCC1 34a_100000748187_100000709892 [0,0,0,1,0,0|2,0,1]=4 2032 B10R1.127 CC(O)CCOC1CCC1 34a_100000748187_100012276601 [0,0,0,1,0,0|2,0,1]=4 2033 B10R1.127 C[C@@H](N)CCOC1CCC1 34a_100000706166_100000749161 [0,0,0,1,0,0|2,0,1]=4 2034 B10R1.150 C=C1CC(C1)NC(=O)CC 11a_100132301982_100000210414 [0,0,0,1,0,0|1,0,2]=4 2035 B10R1.150 C=C1CC(C1)NC(=O)CC 1626a_100132301982_100000210414 [0,0,0,1,0,0|1,0,2]=4 2036 B10R1.150 C=C1CC(C1)NC(=O)CC 527a_100132301982_100000210414 [0,0,0,1,0,0|1,0,2]=4 2037 B10R1.150 CCC(=O)CC1CC(=O)C1 1458a_100000210414_100009874392 [0,0,0,1,0,0|2,0,1]=4 2038 B10R1.150 CCC(=O)CN1CC(C1)C 269982a_100000702820_100000747405 [0,0,0,1,0,0|2,0,0]=3 2039 B10R1.150 CCC(=O)CN1CC(C1)F 269982a_100000690557_100000747405 [0,0,0,1,0,0|3,0,0]=4 2040 B10R1.150 CCC(=O)CN1CC(C1)O 269982a_100000749847_100000747405 [0,0,0,1,0,0|3,0,0]=4 2041 B10R1.150 CCC(=O)NC1CC(C1)F 11a_100016993743_100000210414 [0,0,0,1,0,0|2,0,0]=3 2042 B10R1.150 CCC(=O)NC1CC(C1)F 1626a_100016993743_100000210414 [0,0,0,1,0,0|2,0,0]=3 2043 B10R1.150 CCC(=O)NC1CC(C1)F 240690a_100016993743_100000210414 [0,0,0,1,0,0|2,0,0]=3 2044 B10R1.150 CCC(=O)NC1CC(C1)F 527a_100016993743_100000210414 [0,0,0,1,0,0|2,0,0]=3 2045 B10R1.150 CCC(=O)NC1CN(C1)C 240690a_100015196640_100000210414 [0,0,0,1,0,0|2,0,0]=3 2046 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000210414 [0,0,0,1,0,0|2,0,0]=3 2047 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000210414 [0,0,0,1,0,0|2,0,0]=3 2048 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210414 [0,0,0,1,0,0|2,0,0]=3 2049 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000210414 [0,0,0,1,0,0|2,0,0]=3 2050 B10R1.150 CN1CC(C1)NC(=O)CO 240690a_100015196640_100000210174 [0,0,0,1,0,0|3,0,0]=4 2051 B10R1.150 CNC(=O)CN1CC(C1)C 2230a_100000702820_100000183359 [0,0,0,1,0,0|3,0,0]=4 2052 B10R1.150 CNC(=O)CN1CC(C1)C 269982a_100000702820_100000183359 [0,0,0,1,0,0|3,0,0]=4 2053 B10R1.150 CNC(=O)CN1CC(C1)C 34a_100000702820_100000183359 [0,0,0,1,0,0|3,0,0]=4 2054 B10R1.150 CNC(=O)NC1CC(C1)F 2708a_100016993743_106832991635 [0,0,0,1,0,0|3,0,0]=4 2055 B10R1.150 CNC(=O)NC1CC(C1)F 2708a_100102657272_100016993743 [0,0,0,1,0,0|3,0,0]=4 2056 B10R1.150 CNC(=O)NC1CC(C1)F 273464a_100016993743_100102657272 [0,0,0,1,0,0|3,0,0]=4 2057 B10R1.150 CNC(=O)NC1CC(C1)F 273464a_100102657272_100016993743 [0,0,0,1,0,0|3,0,0]=4 2058 B10R1.150 CNC(=O)NC1CC(C1)F 512a_100016993743_100102657272 [0,0,0,1,0,0|3,0,0]=4 2059 B10R1.150 CNC(=O)NC1CC(C1)F 512a_106832991638_100016993743 [0,0,0,1,0,0|3,0,0]=4 2060 B10R1.150 CNC(=O)NC1CN(C1)C 2708a_100015196640_106832991635 [0,0,0,1,0,0|3,0,0]=4 2061 B10R1.150 CNC(=O)NC1CN(C1)C 2708a_100102657272_100015196640 [0,0,0,1,0,0|3,0,0]=4 2062 B10R1.150 CNC(=O)NC1CN(C1)C 273464a_100015196640_100102657272 [0,0,0,1,0,0|3,0,0]=4 2063 B10R1.150 CNC(=O)NC1CN(C1)C 273464a_100102657272_100015196640 [0,0,0,1,0,0|3,0,0]=4 2064 B10R1.150 CNC(=O)NC1CN(C1)C 512a_100015196640_100102657272 [0,0,0,1,0,0|3,0,0]=4 2065 B10R1.150 CNC(=O)NC1CN(C1)C 512a_106832991638_100015196640 [0,0,0,1,0,0|3,0,0]=4 2066 B10R1.150 CNC(=O)N[C@H]1C[C@@H](C1)O 2708a_100102657272_100020629032 [0,0,0,1,0,0|3,0,0]=4 2067 B10R1.150 CNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100020629032_100102657272 [0,0,0,1,0,0|3,0,0]=4 2068 B10R1.150 CNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100102657272_100020629032 [0,0,0,1,0,0|3,0,0]=4 2069 B10R1.150 CNC(=O)N[C@H]1C[C@@H](C1)O 512a_100020629032_100102657272 [0,0,0,1,0,0|3,0,0]=4 2070 B10R1.150 CNC(=O)N[C@H]1C[C@@H](C1)O 512a_106832991638_100020629032 [0,0,0,1,0,0|3,0,0]=4 2071 B10R1.150 COC(=O)CC1CN(C1)C 269982a_100016993681_200000210301 [0,0,0,1,0,0|3,0,0]=4 2072 B10R1.150 COC(=O)CC1CN(C1)[13CH3] 269982a_100016993681_200025704644 [0,0,0,1,0,0|3,0,0]=4 2073 B10R1.150 COC(=O)CN1CC(C1)C 2230a_100000702820_100000747449 [0,0,0,1,0,0|3,0,0]=4 2074 B10R1.150 COC(=O)CN1CC(C1)C 269982a_100000702820_100000747449 [0,0,0,1,0,0|3,0,0]=4 2075 B10R1.150 COC(=O)CN1CC(C1)C 34a_100000702820_100000747449 [0,0,0,1,0,0|3,0,0]=4 2076 B10R1.150 O=C(CO)NC1CC(C1)F 240690a_100016993743_100000210174 [0,0,0,1,0,0|3,0,0]=4 2077 B10R1.150 O=C(CO)NC1CC(C1)F 527a_100016993743_100000210174 [0,0,0,1,0,0|3,0,0]=4 2078 B10R1.150 O=C(CO)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210174 [0,0,0,1,0,0|3,0,0]=4 2079 B10R1.150 O=C(CO)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000210174 [0,0,0,1,0,0|3,0,0]=4 2080 B10R1.153 C=CC(=O)NCCC1CC1 1626a_100000764129_100000185746 [0,0,0,1,0,0|1,0,2]=4 2081 B10R1.153 C=CC(=O)NCCC1CC1 240690a_100000764129_200121576911 [0,0,0,1,0,0|1,0,2]=4 2082 B10R1.153 CC(CF)OCCC1CC1 34a_100016041109_100000694398 [0,0,0,1,0,0|2,0,1]=4 2083 B10R1.153 CC(CF)OCCC1CC1 7a_100016041109_100000764125 [0,0,0,1,0,0|2,0,1]=4 2084 B10R1.153 CC(CN)OCCC1CC1 34a_100000210904_100000694398 [0,0,0,1,0,0|2,0,1]=4 2085 B10R1.153 CC(CO)OCCC1CC1 34a_100000754188_100012180447 [0,0,0,1,0,0|2,0,1]=4 2086 B10R1.153 CC(CO)OCCC1CC1 7a_100000754188_100012180447 [0,0,0,1,0,0|2,0,1]=4 2087 B10R1.153 CCC(=O)CC#CC1CC1 1458a_100000210414_100009895102 [0,0,0,1,0,0|1,0,2]=4 2088 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [0,0,0,1,0,0|2,0,0]=3 2089 B10R1.153 CCC(=O)COCC1CC1 34a_100000725409_100000742324 [0,0,0,1,0,0|2,0,0]=3 2090 B10R1.153 CCC(=O)COCC1CO1 34a_100000725409_102125554688 [0,0,0,1,0,0|3,0,0]=4 2091 B10R1.153 CCC(=O)CSCC1CC1 1458a_200011316215_100000210202 [0,0,0,1,0,0|2,0,0]=3 2092 B10R1.153 CCC(=O)CSCC1CC1 62a_100000747405_100000742324 [0,0,0,1,0,0|2,0,0]=3 2093 B10R1.153 CCC(=O)CSCC1CC1 62a_100000756562_100000747405 [0,0,0,1,0,0|2,0,0]=3 2094 B10R1.153 CCC(=O)CSCC1CO1 62a_100000747405_102125554688 [0,0,0,1,0,0|3,0,0]=4 2095 B10R1.153 CCC(=O)CSCC1CO1 62a_102125554688_100000747405 [0,0,0,1,0,0|3,0,0]=4 2096 B10R1.153 CCC(=O)CSCC1CS1 62a_100000031435_100000747405 [0,0,0,1,0,0|3,0,0]=4 2097 B10R1.153 CCC(=O)CSCC1CS1 62a_100000747405_100000031435 [0,0,0,1,0,0|3,0,0]=4 2098 B10R1.153 CCC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747405 [0,0,0,1,0,0|3,0,0]=4 2099 B10R1.153 CCC(=O)CSC[C@@H]1CO1 62a_100000747405_100000745022 [0,0,0,1,0,0|3,0,0]=4 2100 B10R1.153 CCC(=O)NCCC1CC1 1626a_100000764129_100000210414 [0,0,0,1,0,0|1,0,0]=2 2101 B10R1.153 CCC(=O)NCCC1CC1 240690a_100000764129_100000210414 [0,0,0,1,0,0|1,0,0]=2 2102 B10R1.153 CCC(=O)NCCC1CC1 527a_100000764129_100000210414 [0,0,0,1,0,0|1,0,0]=2 2103 B10R1.153 CCC(=O)NN=CC1CC1 4a_100000183195_100000741477 [0,0,0,1,0,0|2,0,1]=4 2104 B10R1.153 CCC(=O)NNCC1CC1 22a_100000736359_100000210414 [0,0,0,1,0,0|2,0,0]=3 2105 B10R1.153 CCC(C)NCCC1CC1 2230a_100000209981_100000694398 [0,0,0,1,0,0|2,0,1]=4 2106 B10R1.153 CCC(C)NCCC1CC1 34a_100000764129_100011215416 [0,0,0,1,0,0|2,0,1]=4 2107 B10R1.153 CCC(C)OCCC1CC1 34a_100000754188_100011215416 [0,0,0,1,0,0|1,0,1]=3 2108 B10R1.153 CCC(C)OCCC1CC1 7a_100000210228_100000764125 [0,0,0,1,0,0|1,0,1]=3 2109 B10R1.153 CCC(C)OCCC1CC1 7a_100000754188_100000758301 [0,0,0,1,0,0|1,0,1]=3 2110 B10R1.153 CCC(C)OCCC1CO1 7a_100000210228_100000732470 [0,0,0,1,0,0|2,0,1]=4 2111 B10R1.153 CCC(C)OCC[C@@H]1CO1 34a_100009820653_100011215416 [0,0,0,1,0,0|2,0,1]=4 2112 B10R1.153 CCC(C)SCCC1CC1 62a_100000758301_100000764125 [0,0,0,1,0,0|1,1,1]=4 2113 B10R1.153 CCC(C)SCCC1CC1 62a_100000764125_100000758301 [0,0,0,1,0,0|1,1,1]=4 2114 B10R1.153 CNC(=O)CCNC1CC1 34a_100000212008_100012179268 [0,0,0,1,0,0|3,0,0]=4 2115 B10R1.153 CNC(=O)CCNC1CC1 34a_100000738227_100000211595 [0,0,0,1,0,0|3,0,0]=4 2116 B10R1.153 CNC(=O)CCOC1CC1 34a_100000754576_100000211595 [0,0,0,1,0,0|3,0,0]=4 2117 B10R1.153 CNC(=O)CCSC1CC1 62a_100000737683_100000211595 [0,0,0,1,0,0|3,0,0]=4 2118 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000693194_100000742324 [0,0,0,1,0,0|3,0,0]=4 2119 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000735609_100000183359 [0,0,0,1,0,0|3,0,0]=4 2120 B10R1.153 CNC(=O)CNCC1CC1 269862a_100000693194_100000741477 [0,0,0,1,0,0|3,0,0]=4 2121 B10R1.153 CNC(=O)CNCC1CC1 34a_100000735609_100000183359 [0,0,0,1,0,0|3,0,0]=4 2122 B10R1.153 CNC(=O)COCC1CC1 34a_100000211283_100000183359 [0,0,0,1,0,0|3,0,0]=4 2123 B10R1.153 CNC(=O)COCC1CC1 34a_100000750040_100000742324 [0,0,0,1,0,0|3,0,0]=4 2124 B10R1.153 CNC(=O)CSCC1CC1 11a_106832991635_200011316215 [0,0,0,1,0,0|3,0,0]=4 2125 B10R1.153 CNC(=O)CSCC1CC1 1626a_100102657272_200011316215 [0,0,0,1,0,0|3,0,0]=4 2126 B10R1.153 CNC(=O)CSCC1CC1 240690a_100102657272_200011316215 [0,0,0,1,0,0|3,0,0]=4 2127 B10R1.153 CNC(=O)CSCC1CC1 527a_100102657272_200011316215 [0,0,0,1,0,0|3,0,0]=4 2128 B10R1.153 CNC(=O)CSCC1CC1 62a_100000183359_100000742324 [0,0,0,1,0,0|3,0,0]=4 2129 B10R1.153 CNC(=O)CSCC1CC1 62a_100000756562_100000183359 [0,0,0,1,0,0|3,0,0]=4 2130 B10R1.153 CNC(=O)NCCC1CC1 2708a_100000764129_106832991635 [0,0,0,1,0,0|2,0,0]=3 2131 B10R1.153 CNC(=O)NCCC1CC1 2708a_100102657272_100000764129 [0,0,0,1,0,0|2,0,0]=3 2132 B10R1.153 CNC(=O)NCCC1CC1 273464a_100000764129_100102657272 [0,0,0,1,0,0|2,0,0]=3 2133 B10R1.153 CNC(=O)NCCC1CC1 273464a_100102657272_100000764129 [0,0,0,1,0,0|2,0,0]=3 2134 B10R1.153 CNC(=O)NCCC1CC1 512a_100000764129_100102657272 [0,0,0,1,0,0|2,0,0]=3 2135 B10R1.153 CNC(=O)NCCC1CC1 512a_106832991638_100000764129 [0,0,0,1,0,0|2,0,0]=3 2136 B10R1.153 CNC(=O)NNCC1CC1 273464a_100102657272_100000736359 [0,0,0,1,0,0|3,0,0]=4 2137 B10R1.153 CNC(=O)NNCC1CC1 512a_100000736359_100102657272 [0,0,0,1,0,0|3,0,0]=4 2138 B10R1.153 CNC(=O)NNCC1CC1 512a_106832991638_100000736359 [0,0,0,1,0,0|3,0,0]=4 2139 B10R1.153 COC(=O)CCNC1CC1 34a_100000212008_100000742370 [0,0,0,1,0,0|3,0,0]=4 2140 B10R1.153 COC(=O)CCSC1CC1 62a_100000204255_100000211595 [0,0,0,1,0,0|3,0,0]=4 2141 B10R1.153 COC(=O)CNCC1CC1 2230a_100000735609_100000747449 [0,0,0,1,0,0|3,0,0]=4 2142 B10R1.153 COC(=O)CNCC1CC1 34a_100000735609_100000747449 [0,0,0,1,0,0|3,0,0]=4 2143 B10R1.153 COC(=O)COCC1CC1 34a_100000211283_100000747449 [0,0,0,1,0,0|3,0,0]=4 2144 B10R1.153 COC(=O)CSCC1CC1 62a_100000747449_100000742324 [0,0,0,1,0,0|3,0,0]=4 2145 B10R1.153 COC(=O)CSCC1CC1 62a_100000756562_100000747449 [0,0,0,1,0,0|3,0,0]=4 2146 B10R1.153 O=C(CF)CSCC1CC1 1458a_200011316215_100015361967 [0,0,0,1,0,0|3,0,0]=4 2147 B10R1.153 O=C(CO)CCCC1CO1 1458a_100000210174_100000733510 [0,0,0,1,0,0|3,0,0]=4 2148 B10R1.153 O=C(CO)NCCC1CC1 240690a_100000764129_100000210174 [0,0,0,1,0,0|2,0,0]=3 2149 B10R1.153 O=C(CO)NCCC1CC1 527a_100000764129_100000210174 [0,0,0,1,0,0|2,0,0]=3 2150 B10R1.153 O=C(CO)NNCC1CC1 22a_100000736359_100000210174 [0,0,0,1,0,0|3,0,0]=4 2151 B10R1.168 CCN1CC(C1)CC(C)C 2230a_214813039686_100000210202 [0,0,0,1,0,0|3,0,0]=4 2152 B10R1.168 CCN1CC(C1)CC(C)C 269982a_214813039686_100000204670 [0,0,0,1,0,0|3,0,0]=4 2153 B10R1.168 CCN1CC(C1)CC(C)C 34a_214813039686_100000210202 [0,0,0,1,0,0|3,0,0]=4 2154 B10R1.171 CCN1CCCC(C1)(C)C 2230a_100000716857_100000210202 [0,0,0,1,0,0|3,0,0]=4 2155 B10R1.171 CCN1CCCC(C1)(C)C 269982a_100000716857_100000204670 [0,0,0,1,0,0|3,0,0]=4 2156 B10R1.171 CCN1CCCC(C1)(C)C 34a_100000716857_100000210202 [0,0,0,1,0,0|3,0,0]=4 2157 B10R1.197 CCN1CCCC(CC1)C 2230a_100025706717_100000210202 [0,0,0,1,0,0|3,0,0]=4 2158 B10R1.197 CCN1CCCC(CC1)C 269982a_100025706717_100000204670 [0,0,0,1,0,0|3,0,0]=4 2159 B10R1.197 CCN1CCCC(CC1)C 34a_100025706717_100000210202 [0,0,0,1,0,0|3,0,0]=4 2160 B10R1.206 CC(CO)OCC1CC1C 34a_100000744939_100012180447 [0,0,0,1,0,0|2,0,1]=4 2161 B10R1.206 CC(CO)OCC1CC1C 7a_100000744939_100012180447 [0,0,0,1,0,0|2,0,1]=4 2162 B10R1.206 CCC(C)OCC1CC1C 34a_100000744939_100011215416 [0,0,0,1,0,0|1,0,1]=3 2163 B10R1.206 CCC(C)OCC1CC1C 7a_100000744939_100000758301 [0,0,0,1,0,0|1,0,1]=3 2164 B10R1.350 CC(C)CCNC1(CC1)C 2230a_100000757604_100000210312 [0,0,0,1,0,0|2,0,1]=4 2165 B10R1.350 CC(C)CCOC1(CC1)C 7a_100011725673_100000210626 [0,0,0,1,0,0|1,0,1]=3 2166 B10R1.350 CC(O)CCOC1(CC1)C 7a_100011725673_100012276601 [0,0,0,1,0,0|2,0,1]=4 2167 B10R1.350 CN(C)CCOC1(CC1)C 7a_100011725673_100000755713 [0,0,0,1,0,0|2,0,1]=4 2168 B10R1.408 COC(=O)C1CN1C(C)C 2230a_200009830135_100000210206 [0,0,0,1,0,0|3,0,0]=4 2169 B10R1.428 CCC(=O)CC1CC1(F)F 1458a_100000138109_100000210202 [0,0,0,1,0,0|3,0,0]=4 2170 B10R1.428 CCC(=O)CC1CC1(F)F 1458a_100000210414_100009817841 [0,0,0,1,0,0|3,0,0]=4 2171 B10R1.428 CCC(=O)NC1CC1(F)F 1626a_100020610826_100000210414 [0,0,0,1,0,0|3,0,0]=4 2172 B10R1.428 CCC(=O)NC1CC1(F)F 240690a_100020610826_100000210414 [0,0,0,1,0,0|3,0,0]=4 2173 B10R1.428 CCC(=O)NC1CC1(F)F 527a_100020610826_100000210414 [0,0,0,1,0,0|3,0,0]=4 2174 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [0,0,0,0,1,0|0,0,2]=3 2175 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [0,0,0,0,1,0|1,0,2]=4 2176 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,0,0,0,1,0|0,0,2]=3 2177 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,0,0,0,1,0|0,0,2]=3 2178 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [0,0,0,0,1,0|1,0,2]=4 2179 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,0,0,0,1,0|1,0,2]=4 2180 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,0,0,0,1,0|1,0,2]=4 2181 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,0,0,0,1,0|1,0,2]=4 2182 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,0,0,0,1,0|1,0,2]=4 2183 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,0,0,0,1,0|1,0,2]=4 2184 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,0,0,0,1,0|1,0,2]=4 2185 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,0,0,0,1,0|1,0,2]=4 2186 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,0,0,0,1,0|1,0,2]=4 2187 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,0,0,0,1,0|1,0,2]=4 2188 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,0,0,0,1,0|0,0,2]=3 2189 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,0,0,0,1,0|1,0,2]=4 2190 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [0,0,0,0,1,0|1,0,2]=4 2191 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [0,0,0,0,1,0|1,0,2]=4 2192 B8R0.9 CC(=CCC(=O)CF)C 1458a_100011220947_100015361967 [0,0,0,0,1,0|1,0,2]=4 2193 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [0,0,0,0,1,0|1,0,2]=4 2194 B8R0.9 CC(C)C=CC(=O)CF 1458a_100016268746_100015361967 [0,0,0,0,1,0|1,0,2]=4 2195 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,0,0,0,1,0|1,0,0]=2 2196 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,0,0,0,1,0|1,0,0]=2 2197 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [0,0,0,0,1,0|2,0,1]=4 2198 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,0,0,0,1,0|2,0,1]=4 2199 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,0,0,0,1,0|2,0,1]=4 2200 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,0,0,0,1,0|2,0,1]=4 2201 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,0,0,0,1,0|2,0,1]=4 2202 B8R0.9 CC(C)CCN(C)CF 269982a_100000742789_100015361967 [0,0,0,0,1,0|3,0,0]=4 2203 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,0,0,0,1,0|2,0,0]=3 2204 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,0,0,0,1,0|2,0,0]=3 2205 B8R0.9 CC(C)COC(C)CF 34a_100016041109_100000210624 [0,0,0,0,1,0|2,0,1]=4 2206 B8R0.9 CC(C)COC(C)CF 7a_100016041109_100000210760 [0,0,0,0,1,0|2,0,1]=4 2207 B8R0.9 CC(C)COC(C)CN 34a_100000210904_100000210624 [0,0,0,0,1,0|2,0,1]=4 2208 B8R0.9 CC(C)COC(C)CO 34a_100000210257_100012180447 [0,0,0,0,1,0|2,0,1]=4 2209 B8R0.9 CC(C)NNC(=O)CO 22a_100000741168_100000210174 [0,0,0,0,1,0|3,0,0]=4 2210 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [0,0,0,0,1,0|2,0,0]=3 2211 B8R0.9 CC(C)SCC(=O)CF 1458a_100000241585_100015361967 [0,0,0,0,1,0|2,0,0]=3 2212 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,0,0,0,1,0|2,0,0]=3 2213 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,0,0,0,1,0|3,0,0]=4 2214 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,0,0,0,1,0|3,0,0]=4 2215 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [0,0,0,0,1,0|0,0,2]=3 2216 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,0,0,0,1,0|0,0,2]=3 2217 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,0,0,0,1,0|0,0,2]=3 2218 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,0,0,0,1,0|2,0,1]=4 2219 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,0,0,0,1,0|0,0,0]=1 2220 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,0,0,0,1,0|0,0,0]=1 2221 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,0,0,0,1,0|1,0,0]=2 2222 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [0,0,0,0,1,0|3,0,0]=4 2223 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,0,0,0,1,0|1,0,0]=2 2224 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,0,0,0,1,0|2,0,1]=4 2225 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,0,0,0,1,0|2,0,1]=4 2226 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,0,0,0,1,0|1,0,0]=2 2227 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,0,0,0,1,0|1,0,0]=2 2228 B8R0.9 CCC(=O)COC(F)F 1458a_200000719455_100000210202 [0,0,0,0,1,0|3,0,0]=4 2229 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,0,0,0,1,0|2,0,1]=4 2230 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,0,0,0,1,0|1,0,0]=2 2231 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,0,0,0,1,0|1,0,0]=2 2232 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,0,0,0,1,0|1,0,0]=2 2233 B8R0.9 CCC(=O)CSC(F)F 1458a_114828291038_100000210202 [0,0,0,0,1,0|3,0,0]=4 2234 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,0,0,0,1,0|2,0,1]=4 2235 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,0,0,0,1,0|2,0,1]=4 2236 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,0,0,0,1,0|1,0,0]=2 2237 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,0,0,0,1,0|1,0,0]=2 2238 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,0,0,0,1,0|1,0,0]=2 2239 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,0,0,0,1,0|1,0,0]=2 2240 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,0,0,0,1,0|2,0,0]=3 2241 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,0,0,0,1,0|2,0,0]=3 2242 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,0,0,0,1,0|2,0,0]=3 2243 B8R0.9 CCC(=O)NCC(F)F 11a_100000765723_100000210414 [0,0,0,0,1,0|3,0,0]=4 2244 B8R0.9 CCC(=O)NCC(F)F 1626a_100000765723_100000210414 [0,0,0,0,1,0|3,0,0]=4 2245 B8R0.9 CCC(=O)NCC(F)F 240690a_100000765723_100000210414 [0,0,0,0,1,0|3,0,0]=4 2246 B8R0.9 CCC(=O)NCC(F)F 527a_100000765723_100000210414 [0,0,0,0,1,0|3,0,0]=4 2247 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [0,0,0,0,1,0|2,0,0]=3 2248 B8R0.9 CCC(C)CNC(C)C 2230a_100020588543_100000210206 [0,0,0,0,1,0|2,0,1]=4 2249 B8R0.9 CCC(C)CNC(C)C 2230a_100138425928_100000748023 [0,0,0,0,1,0|2,0,1]=4 2250 B8R0.9 CCC(C)CNC(C)C 34a_100138425928_100000748023 [0,0,0,0,1,0|2,0,1]=4 2251 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [0,0,0,0,1,0|2,0,1]=4 2252 B8R0.9 CCC(C)CSC(C)C 62a_100000210206_100000748023 [0,0,0,0,1,0|2,0,1]=4 2253 B8R0.9 CCC(C)CSC(C)C 62a_100000748023_100000210206 [0,0,0,0,1,0|2,0,1]=4 2254 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [0,0,0,0,1,0|2,0,1]=4 2255 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [0,0,0,0,1,0|2,0,1]=4 2256 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [0,0,0,0,1,0|2,0,1]=4 2257 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [0,0,0,0,1,0|2,0,1]=4 2258 B8R0.9 CCC(C)OCC(C)Br 34a_100012180447_100011215416 [0,0,0,0,1,0|2,0,1]=4 2259 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [0,0,0,0,1,0|1,0,1]=3 2260 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [0,0,0,0,1,0|1,0,1]=3 2261 B8R0.9 CCC(C)OCC(C)F 34a_100015925927_100011215416 [0,0,0,0,1,0|2,0,1]=4 2262 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,0,0,0,1,0|2,0,1]=4 2263 B8R0.9 CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215416 [0,0,0,0,1,0|2,0,1]=4 2264 B8R0.9 CCC(C)OC[C@@H](C)N 34a_100000737577_100011215416 [0,0,0,0,1,0|2,0,1]=4 2265 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,0,0,0,1,0|2,0,1]=4 2266 B8R0.9 CCC(C)SCC(C)C 62a_100000210624_100000758301 [0,0,0,0,1,0|1,1,1]=4 2267 B8R0.9 CCC(C)SCC(C)C 62a_100000758301_100000210760 [0,0,0,0,1,0|1,1,1]=4 2268 B8R0.9 CCC(O)CNC(C)C 2230a_100011218483_100000210206 [0,0,0,0,1,0|1,0,2]=4 2269 B8R0.9 CCC(O)CNC(C)C 2230a_100138425928_100011218378 [0,0,0,0,1,0|1,0,2]=4 2270 B8R0.9 CCC(O)CNC(C)C 34a_100138425928_100011218378 [0,0,0,0,1,0|1,0,2]=4 2271 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [0,0,0,0,1,0|1,0,2]=4 2272 B8R0.9 CCC(O)CSC(C)C 62a_100000210206_100011218378 [0,0,0,0,1,0|1,0,2]=4 2273 B8R0.9 CCC(O)CSC(C)C 62a_100011218378_100000210206 [0,0,0,0,1,0|1,0,2]=4 2274 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [0,0,0,0,1,0|2,0,0]=3 2275 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [0,0,0,0,1,0|2,0,0]=3 2276 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [0,0,0,0,1,0|2,0,0]=3 2277 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [0,0,0,0,1,0|2,0,0]=3 2278 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [0,0,0,0,1,0|2,0,0]=3 2279 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [0,0,0,0,1,0|2,0,0]=3 2280 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [0,0,0,0,1,0|3,0,0]=4 2281 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [0,0,0,0,1,0|3,0,0]=4 2282 B8R0.9 CCN(C)CCN(C)C 269982a_100000225618_100000204670 [0,0,0,0,1,0|3,0,0]=4 2283 B8R0.9 CCN(C)CCN(C)C 269982a_100000225621_100000755713 [0,0,0,0,1,0|3,0,0]=4 2284 B8R0.9 CCN(C)CCN(C)C 269982a_100000225870_200000210301 [0,0,0,0,1,0|3,0,0]=4 2285 B8R0.9 CCN(C)COC(C)C 2230a_100000225621_100000709892 [0,0,0,0,1,0|3,0,0]=4 2286 B8R0.9 CCN(C)COC(C)C 269982a_100000225621_100000709892 [0,0,0,0,1,0|3,0,0]=4 2287 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [0,0,0,0,1,0|2,0,0]=3 2288 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [0,0,0,0,1,0|2,0,0]=3 2289 B8R0.9 CCN([13CH3])CCN(C)C 269982a_100000225870_200025704644 [0,0,0,0,1,0|3,0,0]=4 2290 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,0,0,0,1,0|2,0,1]=4 2291 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,0,0,0,1,0|2,0,1]=4 2292 B8R0.9 CC[C@H](C)CNC(C)C 2230a_100138425928_100009816398 [0,0,0,0,1,0|2,0,1]=4 2293 B8R0.9 CC[C@H](C)CNC(C)C 34a_100138425928_100009816398 [0,0,0,0,1,0|2,0,1]=4 2294 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [0,0,0,0,1,0|2,0,1]=4 2295 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [0,0,0,0,1,0|2,0,1]=4 2296 B8R0.9 CC[C@H](C)CSC(C)C 62a_100000210206_100009816398 [0,0,0,0,1,0|2,0,1]=4 2297 B8R0.9 CC[C@H](C)CSC(C)C 62a_100009816398_100000210206 [0,0,0,0,1,0|2,0,1]=4 2298 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [0,0,0,0,1,0|1,0,2]=4 2299 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [0,0,0,0,1,0|1,0,2]=4 2300 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [0,0,0,0,1,0|1,0,2]=4 2301 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,0,0,0,1,0|1,0,2]=4 2302 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,0,0,0,1,0|1,0,2]=4 2303 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,0,0,0,1,0|1,0,2]=4 2304 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,0,0,0,1,0|1,0,2]=4 2305 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,0,0,0,1,0|2,0,1]=4 2306 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,0,0,0,1,0|2,0,1]=4 2307 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,0,0,0,1,0|1,0,0]=2 2308 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,0,0,0,1,0|1,0,0]=2 2309 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,0,0,0,1,0|1,0,0]=2 2310 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,0,0,0,1,0|1,0,0]=2 2311 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,0,0,0,1,0|2,0,0]=3 2312 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [0,0,0,0,1,0|2,0,0]=3 2313 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [0,0,0,0,1,0|2,0,0]=3 2314 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [0,0,0,0,1,0|2,0,0]=3 2315 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [0,0,0,0,1,0|2,0,0]=3 2316 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [0,0,0,0,1,0|2,0,0]=3 2317 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [0,0,0,0,1,0|2,0,0]=3 2318 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [0,0,0,0,1,0|2,0,0]=3 2319 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [0,0,0,0,1,0|2,0,0]=3 2320 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [0,0,0,0,1,0|2,0,0]=3 2321 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [0,0,0,0,1,0|2,0,0]=3 2322 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [0,0,0,0,1,0|2,0,0]=3 2323 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [0,0,0,0,1,0|2,0,0]=3 2324 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [0,0,0,0,1,0|2,0,0]=3 2325 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [0,0,0,0,1,0|2,0,0]=3 2326 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [0,0,0,0,1,0|2,0,0]=3 2327 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,0,0,0,1,0|2,0,0]=3 2328 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,0,0,0,1,0|2,0,0]=3 2329 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,0,0,0,1,0|2,0,0]=3 2330 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,0,0,0,1,0|2,0,0]=3 2331 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,0,0,0,1,0|2,0,0]=3 2332 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,0,0,0,1,0|2,0,0]=3 2333 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [0,0,0,0,1,0|2,0,0]=3 2334 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [0,0,0,0,1,0|2,0,0]=3 2335 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [0,0,0,0,1,0|2,0,0]=3 2336 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [0,0,0,0,1,0|2,0,0]=3 2337 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [0,0,0,0,1,0|2,0,0]=3 2338 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [0,0,0,0,1,0|2,0,0]=3 2339 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [0,0,0,0,1,0|2,0,0]=3 2340 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [0,0,0,0,1,0|2,0,0]=3 2341 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [0,0,0,0,1,0|2,0,0]=3 2342 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [0,0,0,0,1,0|2,0,0]=3 2343 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [0,0,0,0,1,0|2,0,0]=3 2344 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [0,0,0,0,1,0|2,0,0]=3 2345 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [0,0,0,0,1,0|3,0,0]=4 2346 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [0,0,0,0,1,0|3,0,0]=4 2347 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [0,0,0,0,1,0|3,0,0]=4 2348 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [0,0,0,0,1,0|3,0,0]=4 2349 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [0,0,0,0,1,0|3,0,0]=4 2350 B8R0.9 CNC(=O)NNC(C)C 273464a_100102657272_100000741168 [0,0,0,0,1,0|3,0,0]=4 2351 B8R0.9 CNC(=O)NNC(C)C 512a_100000741168_100102657272 [0,0,0,0,1,0|3,0,0]=4 2352 B8R0.9 CNC(=O)NNC(C)C 512a_106832991638_100000741168 [0,0,0,0,1,0|3,0,0]=4 2353 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [0,0,0,0,1,0|2,0,1]=4 2354 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [0,0,0,0,1,0|2,0,1]=4 2355 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [0,0,0,0,1,0|2,0,1]=4 2356 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [0,0,0,0,1,0|2,0,1]=4 2357 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,0,0,0,1,0|2,0,1]=4 2358 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,0,0,0,1,0|2,0,1]=4 2359 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,0,0,0,1,0|2,0,0]=3 2360 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,0,0,0,1,0|2,0,0]=3 2361 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,0,0,0,1,0|2,0,0]=3 2362 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,0,0,0,1,0|2,0,0]=3 2363 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [0,0,0,0,1,0|2,0,0]=3 2364 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [0,0,0,0,1,0|2,0,0]=3 2365 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,0,0,0,1,0|2,0,0]=3 2366 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,0,0,0,1,0|2,0,0]=3 2367 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,0,0,0,1,0|2,0,0]=3 2368 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,0,0,0,1,0|2,0,1]=4 2369 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,0,0,0,1,0|2,0,1]=4 2370 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,0,0,0,1,0|2,0,1]=4 2371 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,0,0,0,1,0|2,0,1]=4 2372 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,0,0,0,1,0|2,0,1]=4 2373 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [0,0,0,0,1,0|2,0,0]=3 2374 B10R0.55 C#CC(=O)CCCCC(C)C 1458a_100000211873_100011216152 [0,0,0,0,0,1|1,0,2]=4 2375 B10R0.55 C=C(C#N)COCCC(C)C 34a_100000210254_100000694840 [0,0,0,0,0,1|2,0,1]=4 2376 B10R0.55 C=C(C)CCOCC(=O)CC 34a_100000725409_100000730704 [0,0,0,0,0,1|0,0,2]=3 2377 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000750040_100000730704 [0,0,0,0,0,1|1,0,2]=4 2378 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000764851_100000183359 [0,0,0,0,0,1|1,0,2]=4 2379 B10R0.55 C=C(C)CCOCC(=O)OC 34a_100000764851_100000747449 [0,0,0,0,0,1|1,0,2]=4 2380 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000730704_100000747405 [0,0,0,0,0,1|0,1,2]=4 2381 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000747405_100000730704 [0,0,0,0,0,1|0,1,2]=4 2382 B10R0.55 C=C(C)CSCOC(=O)OC 62a_100000748629_100000139417 [0,0,0,0,0,1|1,0,2]=4 2383 B10R0.55 C=CC(=O)CCCCC(C)C 1458a_100000185746_100011216152 [0,0,0,0,0,1|1,0,2]=4 2384 B10R0.55 C=CC(=O)NCCCC(C)C 1626a_200000737386_100000185746 [0,0,0,0,0,1|1,0,2]=4 2385 B10R0.55 C=CC(=O)NCCCC(C)C 240690a_200000737386_200121576911 [0,0,0,0,0,1|1,0,2]=4 2386 B10R0.55 C=CC(=O)NCCNC(C)C 2230a_114873766552_100000210206 [0,0,0,0,0,1|1,0,2]=4 2387 B10R0.55 C=CC(=O)NCCOC(C)C 1626a_100000701111_100000185746 [0,0,0,0,0,1|1,0,2]=4 2388 B10R0.55 C=CC(=O)NCCOC(C)C 240690a_100000701111_200121576911 [0,0,0,0,0,1|1,0,2]=4 2389 B10R0.55 C=CC(=O)NCCOC(C)C 34a_100011304386_100000210206 [0,0,0,0,0,1|1,0,2]=4 2390 B10R0.55 C=CC(=O)NCCSC(C)C 1626a_100000731138_100000185746 [0,0,0,0,0,1|1,0,2]=4 2391 B10R0.55 C=CC(=O)NCCSC(C)C 240690a_100000731138_200121576911 [0,0,0,0,0,1|1,0,2]=4 2392 B10R0.55 C=CC(=O)OCCNC(C)C 2230a_100138425928_100009813456 [0,0,0,0,0,1|0,0,2]=3 2393 B10R0.55 C=CC(=O)OCCNC(C)C 34a_100138425928_100009813456 [0,0,0,0,0,1|0,0,2]=3 2394 B10R0.55 C=CC(=O)OCCOC(C)C 34a_100000212225_100009813456 [0,0,0,0,0,1|0,0,2]=3 2395 B10R0.55 C=CC(=O)OCCSC(C)C 62a_100000210206_100009813456 [0,0,0,0,0,1|0,0,2]=3 2396 B10R0.55 C=CC(=O)OCCSC(C)C 62a_100009813456_100000210206 [0,0,0,0,0,1|0,0,2]=3 2397 B10R0.55 CC(C)CCCCC(=O)CF 1458a_100011933920_100015361967 [0,0,0,0,0,1|2,0,0]=3 2398 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [0,0,0,0,0,1|2,0,0]=3 2399 B10R0.55 CC(C)CCCNC(=O)CO 240690a_200000737386_100000210174 [0,0,0,0,0,1|2,0,0]=3 2400 B10R0.55 CC(C)CCCNC(=O)CO 527a_200000737386_100000210174 [0,0,0,0,0,1|2,0,0]=3 2401 B10R0.55 CC(C)CCCOC(C)CF 34a_100016041109_100011214892 [0,0,0,0,0,1|2,0,1]=4 2402 B10R0.55 CC(C)CCCOC(C)CF 7a_100016041109_100011214892 [0,0,0,0,0,1|2,0,1]=4 2403 B10R0.55 CC(C)CCCOC(C)CN 34a_100000210904_100011214892 [0,0,0,0,0,1|2,0,1]=4 2404 B10R0.55 CC(C)CCCOC(C)CO 34a_100000210774_100012180447 [0,0,0,0,0,1|2,0,1]=4 2405 B10R0.55 CC(C)CCCOC(C)CO 7a_100000210774_100012180447 [0,0,0,0,0,1|2,0,1]=4 2406 B10R0.55 CC(C)CCOCC(C)CN 34a_100000744482_100000210312 [0,0,0,0,0,1|2,0,1]=4 2407 B10R0.55 CC(C)CCOCC(Cl)CCl 34a_100000033668_100000210312 [0,0,0,0,0,1|2,0,1]=4 2408 B10R0.55 CC(C)CCOCC(O)CO 34a_100000210254_100011219619 [0,0,0,0,0,1|1,0,2]=4 2409 B10R0.55 CC(C)CCOCC(O)CO 7a_100000210254_100011219619 [0,0,0,0,0,1|1,0,2]=4 2410 B10R0.55 CC(C)CCOC[C@@H](C)CO 34a_100000210254_100000059175 [0,0,0,0,0,1|2,0,1]=4 2411 B10R0.55 CC(C)CCOC[C@@H](C)CO 7a_100000210254_100000059175 [0,0,0,0,0,1|2,0,1]=4 2412 B10R0.55 CC(C)CCOC[C@@H](O)CF 34a_100000210254_100015614560 [0,0,0,0,0,1|1,0,2]=4 2413 B10R0.55 CC(C)CCOC[C@@H](O)CF 7a_100000210254_100015614560 [0,0,0,0,0,1|1,0,2]=4 2414 B10R0.55 CC(C)CCOC[C@@H](O)CO 34a_100000210254_100009815848 [0,0,0,0,0,1|1,0,2]=4 2415 B10R0.55 CC(C)CCOC[C@@H](O)CO 7a_100000210254_100009815848 [0,0,0,0,0,1|1,0,2]=4 2416 B10R0.55 CC(C)CCOC[C@H](F)CN 34a_100015665980_100000210312 [0,0,0,0,0,1|2,0,1]=4 2417 B10R0.55 CC(C)NCCOC(C)CO 34a_100000224655_100012180447 [0,0,0,0,0,1|2,0,1]=4 2418 B10R0.55 CC(C)OCCCC(=O)NN 34a_100000211488_100000210206 [0,0,0,0,0,1|3,0,0]=4 2419 B10R0.55 CC(C)OCCNC(=O)CO 240690a_100000701111_100000210174 [0,0,0,0,0,1|2,0,0]=3 2420 B10R0.55 CC(C)OCCNC(=O)CO 527a_100000701111_100000210174 [0,0,0,0,0,1|2,0,0]=3 2421 B10R0.55 CC(C)OCCOC(C)CF 34a_100016041109_100000211751 [0,0,0,0,0,1|2,0,1]=4 2422 B10R0.55 CC(C)OCCOC(C)CF 7a_100016041109_100000211751 [0,0,0,0,0,1|2,0,1]=4 2423 B10R0.55 CC(C)OCCOC(C)CN 34a_100000210904_100000211751 [0,0,0,0,0,1|2,0,1]=4 2424 B10R0.55 CC(C)OCCOC(C)CO 34a_100000211219_100012180447 [0,0,0,0,0,1|2,0,1]=4 2425 B10R0.55 CC(C)OCCOC(C)CO 7a_100000211219_100012180447 [0,0,0,0,0,1|2,0,1]=4 2426 B10R0.55 CC(C)SCCNC(=O)CO 240690a_100000731138_100000210174 [0,0,0,0,0,1|2,0,0]=3 2427 B10R0.55 CC(C)SCCNC(=O)CO 527a_100000731138_100000210174 [0,0,0,0,0,1|2,0,0]=3 2428 B10R0.55 CC(CF)OCCSC(C)C 34a_100016041109_100000730970 [0,0,0,0,0,1|2,0,1]=4 2429 B10R0.55 CC(CF)OCCSC(C)C 7a_100016041109_100000730970 [0,0,0,0,0,1|2,0,1]=4 2430 B10R0.55 CC(CN)OCCSC(C)C 34a_100000210904_100000730970 [0,0,0,0,0,1|2,0,1]=4 2431 B10R0.55 CC(CO)OCCSC(C)C 34a_200011212901_100012180447 [0,0,0,0,0,1|2,0,1]=4 2432 B10R0.55 CC(CO)OCCSC(C)C 7a_200011212901_100012180447 [0,0,0,0,0,1|2,0,1]=4 2433 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,0,0,0,0,1|2,0,1]=4 2434 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [0,0,0,0,0,1|1,0,0]=2 2435 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [0,0,0,0,0,1|1,0,0]=2 2436 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [0,0,0,0,0,1|2,0,1]=4 2437 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,0,0,0,0,1|2,0,1]=4 2438 B10R0.55 CCC(=O)CCCOC(=S)C 1458a_100000210414_200135323944 [0,0,0,0,0,1|2,0,1]=4 2439 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [0,0,0,0,0,1|2,0,1]=4 2440 B10R0.55 CCC(=O)CCOCC(F)F 1458a_100000210414_200012177212 [0,0,0,0,0,1|3,0,0]=4 2441 B10R0.55 CCC(=O)COCC=C(C)C 34a_100000725409_100000761012 [0,0,0,0,0,1|0,0,2]=3 2442 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [0,0,0,0,0,1|1,0,1]=3 2443 B10R0.55 CCC(=O)COCCC(=O)N 34a_100000725409_100000731001 [0,0,0,0,0,1|2,0,1]=4 2444 B10R0.55 CCC(=O)COCCC(=O)N 7a_100000757172_100000747405 [0,0,0,0,0,1|2,0,1]=4 2445 B10R0.55 CCC(=O)COCCC(C)C 34a_100000725409_100000210312 [0,0,0,0,0,1|0,0,0]=1 2446 B10R0.55 CCC(=O)COCCC(C)C 7a_100000210254_100000747405 [0,0,0,0,0,1|0,0,0]=1 2447 B10R0.55 CCC(=O)COCCC(C)O 34a_100000725409_100012276601 [0,0,0,0,0,1|1,0,0]=2 2448 B10R0.55 CCC(=O)COCOC(=O)C 34a_100000725409_100009813279 [0,0,0,0,0,1|2,0,1]=4 2449 B10R0.55 CCC(=O)COCOC(C)C 34a_100000725409_100000709892 [0,0,0,0,0,1|1,0,0]=2 2450 B10R0.55 CCC(=O)CSCC=C(C)C 62a_100000747405_100000761012 [0,0,0,0,0,1|0,1,2]=4 2451 B10R0.55 CCC(=O)CSCC=C(C)C 62a_100000761012_100000747405 [0,0,0,0,0,1|0,1,2]=4 2452 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [0,0,0,0,0,1|1,1,1]=4 2453 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [0,0,0,0,0,1|1,1,1]=4 2454 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000210312_100000747405 [0,0,0,0,0,1|0,1,0]=2 2455 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000747405_100000210312 [0,0,0,0,0,1|0,1,0]=2 2456 B10R0.55 CCC(=O)CSCCC(C)O 62a_100000747405_100012276601 [0,0,0,0,0,1|1,1,0]=3 2457 B10R0.55 CCC(=O)CSCCC(C)O 62a_100012276601_100000747405 [0,0,0,0,0,1|1,1,0]=3 2458 B10R0.55 CCC(=O)CSCCN(C)C 62a_100000747405_100000755713 [0,0,0,0,0,1|1,1,0]=3 2459 B10R0.55 CCC(=O)CSCOC(C)C 62a_100000709892_100000747405 [0,0,0,0,0,1|1,1,0]=3 2460 B10R0.55 CCC(=O)CSCOC(C)C 62a_100000747405_100000709892 [0,0,0,0,0,1|1,1,0]=3 2461 B10R0.55 CCC(=O)NCCCC(C)C 11a_200000737386_100000210414 [0,0,0,0,0,1|1,0,0]=2 2462 B10R0.55 CCC(=O)NCCCC(C)C 1626a_200000737386_100000210414 [0,0,0,0,0,1|1,0,0]=2 2463 B10R0.55 CCC(=O)NCCCC(C)C 240690a_200000737386_100000210414 [0,0,0,0,0,1|1,0,0]=2 2464 B10R0.55 CCC(=O)NCCCC(C)C 527a_200000737386_100000210414 [0,0,0,0,0,1|1,0,0]=2 2465 B10R0.55 CCC(=O)NCCCN(C)C 240690a_102531767803_100000210414 [0,0,0,0,0,1|2,0,0]=3 2466 B10R0.55 CCC(=O)NCCCN(C)C 527a_102531767803_100000210414 [0,0,0,0,0,1|2,0,0]=3 2467 B10R0.55 CCC(=O)NCCCS(=O)C 11a_200000753449_100000210414 [0,0,0,0,0,1|3,0,0]=4 2468 B10R0.55 CCC(=O)NCCCS(=O)C 240690a_200000753449_100000210414 [0,0,0,0,0,1|3,0,0]=4 2469 B10R0.55 CCC(=O)NCCCS(=O)C 527a_200000753449_100000210414 [0,0,0,0,0,1|3,0,0]=4 2470 B10R0.55 CCC(=O)NCCNC(=O)C 11a_100132302217_100015343762 [0,0,0,0,0,1|2,0,1]=4 2471 B10R0.55 CCC(=O)NCCNC(=O)C 1626a_100132302217_100015343762 [0,0,0,0,0,1|2,0,1]=4 2472 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100000209853_100000210414 [0,0,0,0,0,1|2,0,1]=4 2473 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100132302217_100015343762 [0,0,0,0,0,1|2,0,1]=4 2474 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100000209853_100000210414 [0,0,0,0,0,1|2,0,1]=4 2475 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100132302217_100103153847 [0,0,0,0,0,1|2,0,1]=4 2476 B10R0.55 CCC(=O)NCCNC(C)C 34a_100132302217_100000210206 [0,0,0,0,0,1|1,0,0]=2 2477 B10R0.55 CCC(=O)NCCOC(=O)C 11a_100000724843_100000210414 [0,0,0,0,0,1|2,0,1]=4 2478 B10R0.55 CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210414 [0,0,0,0,0,1|2,0,1]=4 2479 B10R0.55 CCC(=O)NCCOC(=O)C 527a_100000724843_100000210414 [0,0,0,0,0,1|2,0,1]=4 2480 B10R0.55 CCC(=O)NCCOC(C)C 11a_100000701111_100000210414 [0,0,0,0,0,1|1,0,0]=2 2481 B10R0.55 CCC(=O)NCCOC(C)C 1626a_100000701111_100000210414 [0,0,0,0,0,1|1,0,0]=2 2482 B10R0.55 CCC(=O)NCCOC(C)C 240690a_100000701111_100000210414 [0,0,0,0,0,1|1,0,0]=2 2483 B10R0.55 CCC(=O)NCCOC(C)C 34a_200000158885_100000210206 [0,0,0,0,0,1|1,0,0]=2 2484 B10R0.55 CCC(=O)NCCOC(C)C 527a_100000701111_100000210414 [0,0,0,0,0,1|1,0,0]=2 2485 B10R0.55 CCC(=O)NCCOC(C)C 7a_200000158885_100000210206 [0,0,0,0,0,1|1,0,0]=2 2486 B10R0.55 CCC(=O)NCCSC(=O)C 11a_100020647217_100000210414 [0,0,0,0,0,1|2,0,1]=4 2487 B10R0.55 CCC(=O)NCCSC(=O)C 240690a_100020647217_100000210414 [0,0,0,0,0,1|2,0,1]=4 2488 B10R0.55 CCC(=O)NCCSC(=O)C 527a_100020647217_100000210414 [0,0,0,0,0,1|2,0,1]=4 2489 B10R0.55 CCC(=O)NCCSC(C)C 11a_100000731138_100000210414 [0,0,0,0,0,1|1,0,0]=2 2490 B10R0.55 CCC(=O)NCCSC(C)C 1626a_100000731138_100000210414 [0,0,0,0,0,1|1,0,0]=2 2491 B10R0.55 CCC(=O)NCCSC(C)C 240690a_100000731138_100000210414 [0,0,0,0,0,1|1,0,0]=2 2492 B10R0.55 CCC(=O)NCCSC(C)C 527a_100000731138_100000210414 [0,0,0,0,0,1|1,0,0]=2 2493 B10R0.55 CCC(=O)NN=CCC(C)C 4a_100000183195_100000185833 [0,0,0,0,0,1|1,0,1]=3 2494 B10R0.55 CCC(=O)NNCCN(C)C 22a_100000738145_100000210414 [0,0,0,0,0,1|2,0,0]=3 2495 B10R0.55 CCC(=O)OCCOC(C)C 7a_200000031056_100000210206 [0,0,0,0,0,1|0,0,0]=1 2496 B10R0.55 CCC(C)CCCOC(C)C 7a_100011216074_100000210206 [0,0,0,0,0,1|2,0,1]=4 2497 B10R0.55 CCC(C)CCNCC(C)C 2230a_100020591266_100000210760 [0,0,0,0,0,1|2,0,1]=4 2498 B10R0.55 CCC(C)CCNCC(C)C 270004a_100020591266_100000210432 [0,0,0,0,0,1|2,0,1]=4 2499 B10R0.55 CCC(C)CCOCC(C)C 7a_100011215188_100000210760 [0,0,0,0,0,1|2,0,1]=4 2500 B10R0.55 CCC(C)CNCCC(C)C 2230a_100020588543_100000210312 [0,0,0,0,0,1|2,0,1]=4 2501 B10R0.55 CCC(C)CNCCC(C)C 269862a_100020588543_100000185833 [0,0,0,0,0,1|2,0,1]=4 2502 B10R0.55 CCC(C)CNCCC(C)C 270004a_100000210545_100000243153 [0,0,0,0,0,1|2,0,1]=4 2503 B10R0.55 CCC(C)COCCC(C)Br 34a_100009893172_100000748023 [0,0,0,0,0,1|2,0,1]=4 2504 B10R0.55 CCC(C)COCCC(C)C 34a_100000210254_100000748023 [0,0,0,0,0,1|1,0,1]=3 2505 B10R0.55 CCC(C)COCCC(C)C 7a_100000210254_100000748023 [0,0,0,0,0,1|1,0,1]=3 2506 B10R0.55 CCC(C)COCC[C@@H](C)N 34a_100000706166_100000748023 [0,0,0,0,0,1|2,0,1]=4 2507 B10R0.55 CCC(C)CSCCC(C)C 62a_100000210312_100000748023 [0,0,0,0,0,1|1,1,1]=4 2508 B10R0.55 CCC(C)CSCCC(C)C 62a_100000748023_100000210312 [0,0,0,0,0,1|1,1,1]=4 2509 B10R0.55 CCC(C)NCCCC(C)C 2230a_100000209981_100011214892 [0,0,0,0,0,1|2,0,1]=4 2510 B10R0.55 CCC(C)NCCCC(C)C 2230a_200000737386_100000758301 [0,0,0,0,0,1|2,0,1]=4 2511 B10R0.55 CCC(C)NCCCC(C)C 34a_200000737386_100011215416 [0,0,0,0,0,1|2,0,1]=4 2512 B10R0.55 CCC(C)NCCOC(C)C 2230a_100000209981_100000211751 [0,0,0,0,0,1|2,0,1]=4 2513 B10R0.55 CCC(C)NCCOC(C)C 2230a_100000701111_100000758301 [0,0,0,0,0,1|2,0,1]=4 2514 B10R0.55 CCC(C)NCCOC(C)C 34a_100000701111_100011215416 [0,0,0,0,0,1|2,0,1]=4 2515 B10R0.55 CCC(C)NCCSC(C)C 2230a_100000209981_100000730970 [0,0,0,0,0,1|2,0,1]=4 2516 B10R0.55 CCC(C)NCCSC(C)C 2230a_100000731138_100000758301 [0,0,0,0,0,1|2,0,1]=4 2517 B10R0.55 CCC(C)NCCSC(C)C 34a_100000731138_100011215416 [0,0,0,0,0,1|2,0,1]=4 2518 B10R0.55 CCC(C)OCCC=C(C)C 7a_100000210228_100011217483 [0,0,0,0,0,1|1,0,2]=4 2519 B10R0.55 CCC(C)OCCCC(C)C 34a_100000210774_100011215416 [0,0,0,0,0,1|1,0,1]=3 2520 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210228_100011214892 [0,0,0,0,0,1|1,0,1]=3 2521 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210774_100000758301 [0,0,0,0,0,1|1,0,1]=3 2522 B10R0.55 CCC(C)OCCCC(C)O 7a_100000210228_200000718107 [0,0,0,0,0,1|2,0,1]=4 2523 B10R0.55 CCC(C)OCCCN(C)C 7a_100000210228_100000757444 [0,0,0,0,0,1|2,0,1]=4 2524 B10R0.55 CCC(C)OCCNC(C)C 34a_100000224655_100011215416 [0,0,0,0,0,1|1,0,1]=3 2525 B10R0.55 CCC(C)OCCOC(C)C 34a_100000211219_100011215416 [0,0,0,0,0,1|1,0,1]=3 2526 B10R0.55 CCC(C)OCCOC(C)C 7a_100000210228_100000211751 [0,0,0,0,0,1|1,0,1]=3 2527 B10R0.55 CCC(C)OCCOC(C)C 7a_100000211219_100000758301 [0,0,0,0,0,1|1,0,1]=3 2528 B10R0.55 CCC(C)OCCSC(C)C 34a_200011212901_100011215416 [0,0,0,0,0,1|1,0,1]=3 2529 B10R0.55 CCC(C)OCCSC(C)C 7a_100000210228_100000730970 [0,0,0,0,0,1|1,0,1]=3 2530 B10R0.55 CCC(C)OCCSC(C)C 7a_200011212901_100000758301 [0,0,0,0,0,1|1,0,1]=3 2531 B10R0.55 CCC(C)SCCCC(C)C 62a_100000758301_100011214892 [0,0,0,0,0,1|1,1,1]=4 2532 B10R0.55 CCC(C)SCCCC(C)C 62a_100011214892_100000758301 [0,0,0,0,0,1|1,1,1]=4 2533 B10R0.55 CCC(C)SCCOC(C)C 62a_100000211751_100000758301 [0,0,0,0,0,1|1,1,1]=4 2534 B10R0.55 CCC(C)SCCOC(C)C 62a_100000758301_100000211751 [0,0,0,0,0,1|1,1,1]=4 2535 B10R0.55 CCC(C)SCCSC(C)C 62a_100000730970_100000758301 [0,0,0,0,0,1|1,1,1]=4 2536 B10R0.55 CCC(C)SCCSC(C)C 62a_100000758301_100000730970 [0,0,0,0,0,1|1,1,1]=4 2537 B10R0.55 CCC(O)CNCCC(C)C 2230a_100011218483_100000210312 [0,0,0,0,0,1|1,0,2]=4 2538 B10R0.55 CCC(O)CNCCC(C)C 269862a_100011218483_100000185833 [0,0,0,0,0,1|1,0,2]=4 2539 B10R0.55 CCC(O)COCCC(C)Br 34a_100009893172_100011218378 [0,0,0,0,0,1|1,0,2]=4 2540 B10R0.55 CCC(O)COCCC(C)C 34a_100000210254_100011218378 [0,0,0,0,0,1|0,0,2]=3 2541 B10R0.55 CCC(O)COCCC(C)C 7a_100000210254_100011218378 [0,0,0,0,0,1|0,0,2]=3 2542 B10R0.55 CCC(O)COCC[C@@H](C)N 34a_100000706166_100011218378 [0,0,0,0,0,1|1,0,2]=4 2543 B10R0.55 CCC(O)CSCCC(C)C 62a_100000210312_100011218378 [0,0,0,0,0,1|0,1,2]=4 2544 B10R0.55 CCC(O)CSCCC(C)C 62a_100011218378_100000210312 [0,0,0,0,0,1|0,1,2]=4 2545 B10R0.55 CCN(C)CCCCC(C)C 2230a_100000225621_100011216152 [0,0,0,0,0,1|3,0,0]=4 2546 B10R0.55 CCN(C)CCCCC(C)C 269982a_100000225621_100011216152 [0,0,0,0,0,1|3,0,0]=4 2547 B10R0.55 CCN(C)CCCNC(C)C 2230a_100138425928_100015186262 [0,0,0,0,0,1|3,0,0]=4 2548 B10R0.55 CCN(C)CCCSC(C)C 62a_100000210206_100015186262 [0,0,0,0,0,1|3,0,0]=4 2549 B10R0.55 CC[C@H](C)COCCC(C)Br 34a_100009893172_100009816398 [0,0,0,0,0,1|2,0,1]=4 2550 B10R0.55 CC[C@H](C)COCCC(C)C 34a_100000210254_100009816398 [0,0,0,0,0,1|1,0,1]=3 2551 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100000210254_100009816398 [0,0,0,0,0,1|1,0,1]=3 2552 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100009816381_100000210626 [0,0,0,0,0,1|1,0,1]=3 2553 B10R0.55 CC[C@H](C)COCCC(C)O 7a_100009816381_100012276601 [0,0,0,0,0,1|2,0,1]=4 2554 B10R0.55 CC[C@H](C)COCCN(C)C 7a_100009816381_100000755713 [0,0,0,0,0,1|2,0,1]=4 2555 B10R0.55 CC[C@H](C)COCC[C@@H](C)N 34a_100000706166_100009816398 [0,0,0,0,0,1|2,0,1]=4 2556 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100000210312_100009816398 [0,0,0,0,0,1|1,1,1]=4 2557 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100009816398_100000210312 [0,0,0,0,0,1|1,1,1]=4 2558 B10R0.55 CN(C)CCCNC(=O)CO 240690a_102531767803_100000210174 [0,0,0,0,0,1|3,0,0]=4 2559 B10R0.55 CN(C)CCCNC(=O)CO 527a_102531767803_100000210174 [0,0,0,0,0,1|3,0,0]=4 2560 B10R0.55 CN(C)CCNNC(=O)CO 22a_100000738145_100000210174 [0,0,0,0,0,1|3,0,0]=4 2561 B10R0.55 CNC(=O)CCCCC(C)C 11a_106832991635_100011933920 [0,0,0,0,0,1|2,0,0]=3 2562 B10R0.55 CNC(=O)CCCCC(C)C 1626a_100102657272_100011933920 [0,0,0,0,0,1|2,0,0]=3 2563 B10R0.55 CNC(=O)CCCCC(C)C 240690a_100102657272_100011933920 [0,0,0,0,0,1|2,0,0]=3 2564 B10R0.55 CNC(=O)CCCCC(C)C 527a_100102657272_100011933920 [0,0,0,0,0,1|2,0,0]=3 2565 B10R0.55 CNC(=O)CCCCN(C)C 11a_106832991635_100000751710 [0,0,0,0,0,1|3,0,0]=4 2566 B10R0.55 CNC(=O)CCCCN(C)C 240690a_100102657272_100000751710 [0,0,0,0,0,1|3,0,0]=4 2567 B10R0.55 CNC(=O)CCCCN(C)C 527a_100102657272_100000751710 [0,0,0,0,0,1|3,0,0]=4 2568 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100000740002_100000210206 [0,0,0,0,0,1|2,0,0]=3 2569 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100138425928_100000741757 [0,0,0,0,0,1|2,0,0]=3 2570 B10R0.55 CNC(=O)CCCNC(C)C 34a_100000740002_100000210206 [0,0,0,0,0,1|2,0,0]=3 2571 B10R0.55 CNC(=O)CCCNC(C)C 34a_100138425928_100000741757 [0,0,0,0,0,1|2,0,0]=3 2572 B10R0.55 CNC(=O)CCCOC(C)C 34a_100000212225_100000741757 [0,0,0,0,0,1|2,0,0]=3 2573 B10R0.55 CNC(=O)CCCSC(C)C 62a_100000210206_100000741757 [0,0,0,0,0,1|2,0,0]=3 2574 B10R0.55 CNC(=O)CCCSC(C)C 62a_100000741757_100000210206 [0,0,0,0,0,1|2,0,0]=3 2575 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000210953_100000737683 [0,0,0,0,0,1|2,0,0]=3 2576 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000738227_100000210760 [0,0,0,0,0,1|2,0,0]=3 2577 B10R0.55 CNC(=O)CCNCC(C)C 270004a_100000738227_100000210432 [0,0,0,0,0,1|2,0,0]=3 2578 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000210953_100012179268 [0,0,0,0,0,1|2,0,0]=3 2579 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000738227_100000210624 [0,0,0,0,0,1|2,0,0]=3 2580 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000210904_100000737683 [0,0,0,0,0,1|3,0,0]=4 2581 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000738227_100011218427 [0,0,0,0,0,1|3,0,0]=4 2582 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000210904_100012179268 [0,0,0,0,0,1|3,0,0]=4 2583 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000738227_100011218427 [0,0,0,0,0,1|3,0,0]=4 2584 B10R0.55 CNC(=O)CCNC[C@@H](C)O 2230a_100000738227_100009817552 [0,0,0,0,0,1|3,0,0]=4 2585 B10R0.55 CNC(=O)CCNC[C@@H](C)O 34a_100000738227_100009817552 [0,0,0,0,0,1|3,0,0]=4 2586 B10R0.55 CNC(=O)CCOCC(C)Br 34a_100012180447_100012179268 [0,0,0,0,0,1|3,0,0]=4 2587 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000210257_100012179268 [0,0,0,0,0,1|2,0,0]=3 2588 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000754576_100000210624 [0,0,0,0,0,1|2,0,0]=3 2589 B10R0.55 CNC(=O)CCOCC(C)F 34a_100015925927_100012179268 [0,0,0,0,0,1|3,0,0]=4 2590 B10R0.55 CNC(=O)CCOCC(C)O 34a_100000754576_100011218427 [0,0,0,0,0,1|3,0,0]=4 2591 B10R0.55 CNC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100012179268 [0,0,0,0,0,1|3,0,0]=4 2592 B10R0.55 CNC(=O)CCOC[C@@H](C)N 34a_100000737577_100012179268 [0,0,0,0,0,1|3,0,0]=4 2593 B10R0.55 CNC(=O)CCOC[C@@H](C)O 34a_100000754576_100009817552 [0,0,0,0,0,1|3,0,0]=4 2594 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000210624_100000737683 [0,0,0,0,0,1|2,0,0]=3 2595 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000737683_100000210760 [0,0,0,0,0,1|2,0,0]=3 2596 B10R0.55 CNC(=O)CCSCC(C)O 62a_100000737683_100011218427 [0,0,0,0,0,1|3,0,0]=4 2597 B10R0.55 CNC(=O)CCSCC(C)O 62a_100011218427_100000737683 [0,0,0,0,0,1|3,0,0]=4 2598 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100000737683_100009817552 [0,0,0,0,0,1|3,0,0]=4 2599 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737683 [0,0,0,0,0,1|3,0,0]=4 2600 B10R0.55 CNC(=O)CNCCC(C)C 2230a_100000693194_100000210312 [0,0,0,0,0,1|2,0,0]=3 2601 B10R0.55 CNC(=O)CNCCC(C)C 269862a_100000693194_100000185833 [0,0,0,0,0,1|2,0,0]=3 2602 B10R0.55 CNC(=O)CNCCC(C)O 2230a_100000693194_100012276601 [0,0,0,0,0,1|3,0,0]=4 2603 B10R0.55 CNC(=O)CNCCC(C)O 2230a_200000755665_100000183359 [0,0,0,0,0,1|3,0,0]=4 2604 B10R0.55 CNC(=O)CNCOC(C)C 2230a_100000693194_100000709892 [0,0,0,0,0,1|3,0,0]=4 2605 B10R0.55 CNC(=O)COCC=C(C)C 34a_100000750040_100000761012 [0,0,0,0,0,1|1,0,2]=4 2606 B10R0.55 CNC(=O)COCC=C(C)C 34a_100000753907_100000183359 [0,0,0,0,0,1|1,0,2]=4 2607 B10R0.55 CNC(=O)COCCC(=O)C 34a_100000759926_100000183359 [0,0,0,0,0,1|2,0,1]=4 2608 B10R0.55 CNC(=O)COCCC(=O)C 7a_100000759926_100000183359 [0,0,0,0,0,1|2,0,1]=4 2609 B10R0.55 CNC(=O)COCCC(C)Br 34a_100009893172_100000183359 [0,0,0,0,0,1|2,0,0]=3 2610 B10R0.55 CNC(=O)COCCC(C)C 34a_100000210254_100000183359 [0,0,0,0,0,1|1,0,0]=2 2611 B10R0.55 CNC(=O)COCCC(C)C 34a_100000750040_100000210312 [0,0,0,0,0,1|1,0,0]=2 2612 B10R0.55 CNC(=O)COCCC(C)C 7a_100000210254_100000183359 [0,0,0,0,0,1|1,0,0]=2 2613 B10R0.55 CNC(=O)COCCC(C)O 34a_100000750040_100012276601 [0,0,0,0,0,1|2,0,0]=3 2614 B10R0.55 CNC(=O)COCCC(F)F 34a_100103093639_100000183359 [0,0,0,0,0,1|3,0,0]=4 2615 B10R0.55 CNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183359 [0,0,0,0,0,1|2,0,0]=3 2616 B10R0.55 CNC(=O)COCOC(C)C 34a_100000750040_100000709892 [0,0,0,0,0,1|2,0,0]=3 2617 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000183359_100000210312 [0,0,0,0,0,1|1,1,0]=3 2618 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000210312_100000183359 [0,0,0,0,0,1|1,1,0]=3 2619 B10R0.55 CNC(=O)CSCCC(C)O 62a_100000183359_100012276601 [0,0,0,0,0,1|2,1,0]=4 2620 B10R0.55 CNC(=O)CSCCC(C)O 62a_100012276601_100000183359 [0,0,0,0,0,1|2,1,0]=4 2621 B10R0.55 CNC(=O)CSCCN(C)C 62a_100000183359_100000755713 [0,0,0,0,0,1|2,1,0]=4 2622 B10R0.55 CNC(=O)CSCOC(C)C 62a_100000183359_100000709892 [0,0,0,0,0,1|2,1,0]=4 2623 B10R0.55 CNC(=O)CSCOC(C)C 62a_100000709892_100000183359 [0,0,0,0,0,1|2,1,0]=4 2624 B10R0.55 CNC(=O)NCCCC(C)C 2708a_100102657272_200000737386 [0,0,0,0,0,1|2,0,0]=3 2625 B10R0.55 CNC(=O)NCCCC(C)C 2708a_200000737386_106832991635 [0,0,0,0,0,1|2,0,0]=3 2626 B10R0.55 CNC(=O)NCCCC(C)C 273464a_100102657272_200000737386 [0,0,0,0,0,1|2,0,0]=3 2627 B10R0.55 CNC(=O)NCCCC(C)C 273464a_200000737386_100102657272 [0,0,0,0,0,1|2,0,0]=3 2628 B10R0.55 CNC(=O)NCCCC(C)C 512a_106832991638_200000737386 [0,0,0,0,0,1|2,0,0]=3 2629 B10R0.55 CNC(=O)NCCCC(C)C 512a_200000737386_100102657272 [0,0,0,0,0,1|2,0,0]=3 2630 B10R0.55 CNC(=O)NCCCN(C)C 2708a_100102657272_102531767803 [0,0,0,0,0,1|3,0,0]=4 2631 B10R0.55 CNC(=O)NCCCN(C)C 273464a_100102657272_102531767803 [0,0,0,0,0,1|3,0,0]=4 2632 B10R0.55 CNC(=O)NCCCN(C)C 273464a_102531767803_100102657272 [0,0,0,0,0,1|3,0,0]=4 2633 B10R0.55 CNC(=O)NCCCN(C)C 512a_102531767803_100102657272 [0,0,0,0,0,1|3,0,0]=4 2634 B10R0.55 CNC(=O)NCCCN(C)C 512a_106832991638_102531767803 [0,0,0,0,0,1|3,0,0]=4 2635 B10R0.55 CNC(=O)NCCNC(C)C 34a_100015205895_100000210206 [0,0,0,0,0,1|2,0,0]=3 2636 B10R0.55 CNC(=O)NCCOC(C)C 2708a_100000701111_106832991635 [0,0,0,0,0,1|2,0,0]=3 2637 B10R0.55 CNC(=O)NCCOC(C)C 2708a_100102657272_100000701111 [0,0,0,0,0,1|2,0,0]=3 2638 B10R0.55 CNC(=O)NCCOC(C)C 273464a_100000701111_100102657272 [0,0,0,0,0,1|2,0,0]=3 2639 B10R0.55 CNC(=O)NCCOC(C)C 273464a_100102657272_100000701111 [0,0,0,0,0,1|2,0,0]=3 2640 B10R0.55 CNC(=O)NCCOC(C)C 512a_100000701111_100102657272 [0,0,0,0,0,1|2,0,0]=3 2641 B10R0.55 CNC(=O)NCCOC(C)C 512a_106832991638_100000701111 [0,0,0,0,0,1|2,0,0]=3 2642 B10R0.55 CNC(=O)NCCSC(C)C 2708a_100000731138_106832991635 [0,0,0,0,0,1|2,0,0]=3 2643 B10R0.55 CNC(=O)NCCSC(C)C 2708a_100102657272_100000731138 [0,0,0,0,0,1|2,0,0]=3 2644 B10R0.55 CNC(=O)NCCSC(C)C 273464a_100000731138_100102657272 [0,0,0,0,0,1|2,0,0]=3 2645 B10R0.55 CNC(=O)NCCSC(C)C 273464a_100102657272_100000731138 [0,0,0,0,0,1|2,0,0]=3 2646 B10R0.55 CNC(=O)NCCSC(C)C 512a_100000731138_100102657272 [0,0,0,0,0,1|2,0,0]=3 2647 B10R0.55 CNC(=O)NCCSC(C)C 512a_106832991638_100000731138 [0,0,0,0,0,1|2,0,0]=3 2648 B10R0.55 CNC(=O)NNCCN(C)C 273464a_100102657272_100000738145 [0,0,0,0,0,1|3,0,0]=4 2649 B10R0.55 CNC(=O)NNCCN(C)C 512a_106832991638_100000738145 [0,0,0,0,0,1|3,0,0]=4 2650 B10R0.55 CNC(=O)OCCNC(C)C 34a_100138425928_200011997002 [0,0,0,0,0,1|1,0,0]=2 2651 B10R0.55 CNC(=O)OCCOC(C)C 34a_100000212225_200011997002 [0,0,0,0,0,1|1,0,0]=2 2652 B10R0.55 CNC(=O)OCCSC(C)C 62a_100000210206_200011997002 [0,0,0,0,0,1|1,0,0]=2 2653 B10R0.55 CNC(=O)OCCSC(C)C 62a_200011997002_100000210206 [0,0,0,0,0,1|1,0,0]=2 2654 B10R0.55 COC(=O)/C=C/CNC(C)C 2230a_100138425928_100000742655 [0,0,0,0,0,1|2,0,1]=4 2655 B10R0.55 COC(=O)/C=C/CNC(C)C 34a_100138425928_100000742655 [0,0,0,0,0,1|2,0,1]=4 2656 B10R0.55 COC(=O)/C=C/COC(C)C 34a_100000212225_100000742655 [0,0,0,0,0,1|2,0,1]=4 2657 B10R0.55 COC(=O)/C=C/CSC(C)C 62a_100000210206_100000742655 [0,0,0,0,0,1|2,0,1]=4 2658 B10R0.55 COC(=O)/C=C/CSC(C)C 62a_100000742655_100000210206 [0,0,0,0,0,1|2,0,1]=4 2659 B10R0.55 COC(=O)CCCCN(C)C 2230a_100102631434_100000204269 [0,0,0,0,0,1|3,0,0]=4 2660 B10R0.55 COC(=O)CCCCN(C)C 269982a_100102631434_100000204269 [0,0,0,0,0,1|3,0,0]=4 2661 B10R0.55 COC(=O)CCCNC(C)C 2230a_100138425928_100011218270 [0,0,0,0,0,1|2,0,0]=3 2662 B10R0.55 COC(=O)CCCNC(C)C 34a_100138425928_100000742333 [0,0,0,0,0,1|2,0,0]=3 2663 B10R0.55 COC(=O)CCCOC(C)C 34a_100000212225_100000742333 [0,0,0,0,0,1|2,0,0]=3 2664 B10R0.55 COC(=O)CCCSC(C)C 62a_100000210206_100011218270 [0,0,0,0,0,1|2,0,0]=3 2665 B10R0.55 COC(=O)CCCSC(C)C 62a_100011218270_100000210206 [0,0,0,0,0,1|2,0,0]=3 2666 B10R0.55 COC(=O)CCNCC(C)C 2230a_100000210953_100000204255 [0,0,0,0,0,1|2,0,0]=3 2667 B10R0.55 COC(=O)CCNCC(C)C 34a_100000210953_100000742370 [0,0,0,0,0,1|2,0,0]=3 2668 B10R0.55 COC(=O)CCNCC(C)O 2230a_100000210904_100000204255 [0,0,0,0,0,1|3,0,0]=4 2669 B10R0.55 COC(=O)CCNCC(C)O 34a_100000210904_100000742370 [0,0,0,0,0,1|3,0,0]=4 2670 B10R0.55 COC(=O)CCOCC(C)Br 34a_100012180447_100000742370 [0,0,0,0,0,1|3,0,0]=4 2671 B10R0.55 COC(=O)CCOCC(C)C 34a_100000210257_100000742370 [0,0,0,0,0,1|2,0,0]=3 2672 B10R0.55 COC(=O)CCOCC(C)F 34a_100015925927_100000742370 [0,0,0,0,0,1|3,0,0]=4 2673 B10R0.55 COC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000742370 [0,0,0,0,0,1|3,0,0]=4 2674 B10R0.55 COC(=O)CCOC[C@@H](C)N 34a_100000737577_100000742370 [0,0,0,0,0,1|3,0,0]=4 2675 B10R0.55 COC(=O)CCSCC(C)C 62a_100000204255_100000210760 [0,0,0,0,0,1|2,0,0]=3 2676 B10R0.55 COC(=O)CCSCC(C)C 62a_100000210624_100000204255 [0,0,0,0,0,1|2,0,0]=3 2677 B10R0.55 COC(=O)CCSCC(C)O 62a_100000204255_100011218427 [0,0,0,0,0,1|3,0,0]=4 2678 B10R0.55 COC(=O)CCSCC(C)O 62a_100011218427_100000204255 [0,0,0,0,0,1|3,0,0]=4 2679 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100000204255_100009817552 [0,0,0,0,0,1|3,0,0]=4 2680 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100009817552_100000204255 [0,0,0,0,0,1|3,0,0]=4 2681 B10R0.55 COC(=O)CNCCC(C)O 2230a_200000755665_100000747449 [0,0,0,0,0,1|3,0,0]=4 2682 B10R0.55 COC(=O)COCC=C(C)C 34a_100000753907_100000747449 [0,0,0,0,0,1|1,0,2]=4 2683 B10R0.55 COC(=O)COCCC(=O)C 1458a_100000070787_100000090808 [0,0,0,0,0,1|2,0,1]=4 2684 B10R0.55 COC(=O)COCCC(=O)C 34a_100000759926_100000747449 [0,0,0,0,0,1|2,0,1]=4 2685 B10R0.55 COC(=O)COCCC(=O)C 7a_100000759926_100000747449 [0,0,0,0,0,1|2,0,1]=4 2686 B10R0.55 COC(=O)COCCC(C)Br 34a_100009893172_100000747449 [0,0,0,0,0,1|2,0,0]=3 2687 B10R0.55 COC(=O)COCCC(C)C 34a_100000210254_100000747449 [0,0,0,0,0,1|1,0,0]=2 2688 B10R0.55 COC(=O)COCCC(C)C 7a_100000210254_100000747449 [0,0,0,0,0,1|1,0,0]=2 2689 B10R0.55 COC(=O)COCCC(F)F 34a_100103093639_100000747449 [0,0,0,0,0,1|3,0,0]=4 2690 B10R0.55 COC(=O)COCCN(C)C 2230a_100102631434_100000090808 [0,0,0,0,0,1|2,0,0]=3 2691 B10R0.55 COC(=O)COCC[C@@H](C)N 34a_100000706166_100000747449 [0,0,0,0,0,1|2,0,0]=3 2692 B10R0.55 COC(=O)CSCCC(C)C 62a_100000210312_100000747449 [0,0,0,0,0,1|1,1,0]=3 2693 B10R0.55 COC(=O)CSCCC(C)C 62a_100000747449_100000210312 [0,0,0,0,0,1|1,1,0]=3 2694 B10R0.55 COC(=O)CSCCC(C)O 62a_100000747449_100012276601 [0,0,0,0,0,1|2,1,0]=4 2695 B10R0.55 COC(=O)CSCCC(C)O 62a_100012276601_100000747449 [0,0,0,0,0,1|2,1,0]=4 2696 B10R0.55 COC(=O)CSCCN(C)C 62a_100000747449_100000755713 [0,0,0,0,0,1|2,1,0]=4 2697 B10R0.55 COC(=O)CSCOC(C)C 62a_100000709892_100000747449 [0,0,0,0,0,1|2,1,0]=4 2698 B10R0.55 COC(=O)CSCOC(C)C 62a_100000747449_100000709892 [0,0,0,0,0,1|2,1,0]=4 2699 B10R0.55 COC(=O)NCCOC(C)C 34a_100000757965_100000210206 [0,0,0,0,0,1|2,0,0]=3 2700 B10R0.55 COC(=O)OCCOC(C)C 34a_100010262106_100000210206 [0,0,0,0,0,1|1,0,0]=2 2701 B10R0.55 COC(=O)OCSCC(C)C 62a_100000210624_100000139417 [0,0,0,0,0,1|1,0,0]=2 2702 B10R0.55 COC(=O)OCSCC(C)O 62a_100011218427_100000139417 [0,0,0,0,0,1|2,0,0]=3 2703 B10R0.55 COC(=O)OCSCC(F)F 62a_100011934356_100000139417 [0,0,0,0,0,1|3,0,0]=4 2704 B10R0.55 COC(=O)OCSC[C@@H](C)O 62a_100009817552_100000139417 [0,0,0,0,0,1|2,0,0]=3 2705 B10R0.55 COC(C)COCCC(C)C 34a_100000690652_100000210312 [0,0,0,0,0,1|2,0,1]=4 2706 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [2,0,0,0,0,0|2,0,0]=4 2707 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [2,0,0,0,0,0|2,0,0]=4 2708 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [2,0,0,0,0,0|2,0,0]=4 2709 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [2,0,0,0,0,0|2,0,0]=4 2710 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [2,0,0,0,0,0|2,0,0]=4 2711 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [2,0,0,0,0,0|2,0,0]=4 2712 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [2,0,0,0,0,0|2,0,0]=4 2713 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [2,0,0,0,0,0|2,0,0]=4 2714 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [2,0,0,0,0,0|2,0,0]=4 2715 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [2,0,0,0,0,0|2,0,0]=4 2716 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [2,0,0,0,0,0|2,0,0]=4 2717 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [2,0,0,0,0,0|2,0,0]=4 2718 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [2,0,0,0,0,0|2,0,0]=4 2719 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [2,0,0,0,0,0|2,0,0]=4 2720 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [2,0,0,0,0,0|2,0,0]=4 2721 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [2,0,0,0,0,0|2,0,0]=4 2722 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [2,0,0,0,0,0|2,0,0]=4 2723 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [2,0,0,0,0,0|2,0,0]=4 2724 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [2,0,0,0,0,0|2,0,0]=4 2725 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [2,0,0,0,0,0|2,0,0]=4 2726 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|2,0,0]=4 2727 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|2,0,0]=4 2728 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|2,0,0]=4 2729 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [2,0,0,0,0,0|2,0,0]=4 2730 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [2,0,0,0,0,0|2,0,0]=4 2731 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [2,0,0,0,0,0|1,0,1]=4 2732 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [2,0,0,0,0,0|1,0,1]=4 2733 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [2,0,0,0,0,0|1,0,1]=4 2734 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [2,0,0,0,0,0|0,0,1]=3 2735 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [2,0,0,0,0,0|0,0,1]=3 2736 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [2,0,0,0,0,0|0,0,1]=3 2737 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [2,0,0,0,0,0|1,0,1]=4 2738 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [2,0,0,0,0,0|1,0,1]=4 2739 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [2,0,0,0,0,0|1,0,1]=4 2740 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [2,0,0,0,0,0|1,0,1]=4 2741 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [2,0,0,0,0,0|1,0,1]=4 2742 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [2,0,0,0,0,0|1,0,1]=4 2743 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [2,0,0,0,0,0|1,0,1]=4 2744 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [2,0,0,0,0,0|1,0,1]=4 2745 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [2,0,0,0,0,0|1,0,1]=4 2746 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [2,0,0,0,0,0|1,0,1]=4 2747 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [2,0,0,0,0,0|1,0,1]=4 2748 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [2,0,0,0,0,0|1,0,1]=4 2749 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [2,0,0,0,0,0|1,0,1]=4 2750 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [2,0,0,0,0,0|0,1,1]=4 2751 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [2,0,0,0,0,0|0,1,1]=4 2752 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [2,0,0,0,0,0|1,0,1]=4 2753 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [2,0,0,0,0,0|1,0,1]=4 2754 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [2,0,0,0,0,0|1,0,1]=4 2755 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [2,0,0,0,0,0|1,0,1]=4 2756 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [2,0,0,0,0,0|1,0,1]=4 2757 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [2,0,0,0,0,0|1,0,1]=4 2758 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [2,0,0,0,0,0|1,0,1]=4 2759 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [2,0,0,0,0,0|1,0,1]=4 2760 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [2,0,0,0,0,0|1,0,1]=4 2761 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [2,0,0,0,0,0|1,0,1]=4 2762 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [2,0,0,0,0,0|1,0,1]=4 2763 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [2,0,0,0,0,0|1,0,1]=4 2764 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [2,0,0,0,0,0|1,0,1]=4 2765 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [2,0,0,0,0,0|1,0,1]=4 2766 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [2,0,0,0,0,0|1,0,1]=4 2767 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [2,0,0,0,0,0|1,0,1]=4 2768 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [2,0,0,0,0,0|1,0,1]=4 2769 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [2,0,0,0,0,0|1,0,1]=4 2770 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [2,0,0,0,0,0|1,0,1]=4 2771 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [2,0,0,0,0,0|1,0,1]=4 2772 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [2,0,0,0,0,0|1,0,1]=4 2773 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [2,0,0,0,0,0|1,0,1]=4 2774 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [2,0,0,0,0,0|1,0,1]=4 2775 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [2,0,0,0,0,0|1,0,1]=4 2776 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [2,0,0,0,0,0|1,0,1]=4 2777 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [2,0,0,0,0,0|1,0,1]=4 2778 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [2,0,0,0,0,0|1,0,1]=4 2779 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [2,0,0,0,0,0|0,0,2]=4 2780 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [2,0,0,0,0,0|0,0,2]=4 2781 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [2,0,0,0,0,0|0,0,2]=4 2782 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [2,0,0,0,0,0|0,0,2]=4 2783 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [2,0,0,0,0,0|0,0,2]=4 2784 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [2,0,0,0,0,0|0,0,2]=4 2785 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [2,0,0,0,0,0|0,0,2]=4 2786 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [2,0,0,0,0,0|0,0,2]=4 2787 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [2,0,0,0,0,0|0,0,2]=4 2788 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [2,0,0,0,0,0|0,0,2]=4 2789 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [2,0,0,0,0,0|0,0,2]=4 2790 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [2,0,0,0,0,0|1,0,1]=4 2791 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [2,0,0,0,0,0|1,0,1]=4 2792 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [2,0,0,0,0,0|1,0,0]=3 2793 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [2,0,0,0,0,0|1,0,0]=3 2794 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [2,0,0,0,0,0|1,0,0]=3 2795 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [2,0,0,0,0,0|1,0,0]=3 2796 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [2,0,0,0,0,0|1,0,0]=3 2797 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [2,0,0,0,0,0|1,0,0]=3 2798 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [2,0,0,0,0,0|2,0,0]=4 2799 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [2,0,0,0,0,0|2,0,0]=4 2800 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [2,0,0,0,0,0|2,0,0]=4 2801 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 2802 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 2803 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 2804 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 2805 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [2,0,0,0,0,0|2,0,0]=4 2806 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [2,0,0,0,0,0|2,0,0]=4 2807 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [2,0,0,0,0,0|0,0,2]=4 2808 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [2,0,0,0,0,0|0,0,0]=2 2809 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [2,0,0,0,0,0|0,0,0]=2 2810 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [2,0,0,0,0,0|1,0,0]=3 2811 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [2,0,0,0,0,0|1,0,0]=3 2812 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [2,0,0,0,0,0|1,0,0]=3 2813 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [2,0,0,0,0,0|1,0,0]=3 2814 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [2,0,0,0,0,0|1,0,0]=3 2815 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [2,0,0,0,0,0|1,0,0]=3 2816 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [2,0,0,0,0,0|2,0,0]=4 2817 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [2,0,0,0,0,0|2,0,0]=4 2818 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [2,0,0,0,0,0|2,0,0]=4 2819 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [2,0,0,0,0,0|2,0,0]=4 2820 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [2,0,0,0,0,0|2,0,0]=4 2821 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [2,0,0,0,0,0|2,0,0]=4 2822 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [2,0,0,0,0,0|2,0,0]=4 2823 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [2,0,0,0,0,0|2,0,0]=4 2824 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 2825 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 2826 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 2827 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 2828 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [2,0,0,0,0,0|2,0,0]=4 2829 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [2,0,0,0,0,0|2,0,0]=4 2830 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [2,0,0,0,0,0|2,0,0]=4 2831 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [2,0,0,0,0,0|2,0,0]=4 2832 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [2,0,0,0,0,0|2,0,0]=4 2833 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [2,0,0,0,0,0|2,0,0]=4 2834 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [2,0,0,0,0,0|2,0,0]=4 2835 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [2,0,0,0,0,0|2,0,0]=4 2836 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [2,0,0,0,0,0|1,0,1]=4 2837 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [2,0,0,0,0,0|1,0,1]=4 2838 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [2,0,0,0,0,0|2,0,0]=4 2839 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [2,0,0,0,0,0|2,0,0]=4 2840 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [2,0,0,0,0,0|2,0,0]=4 2841 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [2,0,0,0,0,0|2,0,0]=4 2842 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [2,0,0,0,0,0|1,0,0]=3 2843 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [2,0,0,0,0,0|1,0,0]=3 2844 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [2,0,0,0,0,0|2,0,0]=4 2845 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [2,0,0,0,0,0|2,0,0]=4 2846 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 2847 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 2848 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [2,0,0,0,0,0|2,0,0]=4 2849 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [2,0,0,0,0,0|2,0,0]=4 2850 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 2851 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [2,0,0,0,0,0|2,0,0]=4 2852 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [2,0,0,0,0,0|1,0,0]=3 2853 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [2,0,0,0,0,0|1,0,0]=3 2854 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [2,0,0,0,0,0|1,0,0]=3 2855 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [2,0,0,0,0,0|2,0,0]=4 2856 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [2,0,0,0,0,0|2,0,0]=4 2857 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 2858 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 2859 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 2860 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [2,0,0,0,0,0|2,0,0]=4 2861 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [2,0,0,0,0,0|2,0,0]=4 2862 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [2,0,0,0,0,0|2,0,0]=4 2863 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [2,0,0,0,0,0|2,0,0]=4 2864 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [2,0,0,0,0,0|2,0,0]=4 2865 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [2,0,0,0,0,0|2,0,0]=4 2866 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [2,0,0,0,0,0|2,0,0]=4 2867 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 2868 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 2869 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [2,0,0,0,0,0|2,0,0]=4 2870 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [2,0,0,0,0,0|2,0,0]=4 2871 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 2872 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [2,0,0,0,0,0|2,0,0]=4 2873 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [2,0,0,0,0,0|2,0,0]=4 2874 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 2875 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 2876 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 2877 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [2,0,0,0,0,0|2,0,0]=4 2878 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [2,0,0,0,0,0|2,0,0]=4 2879 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [2,0,0,0,0,0|2,0,0]=4 2880 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [2,0,0,0,0,0|2,0,0]=4 2881 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [2,0,0,0,0,0|2,0,0]=4 2882 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [2,0,0,0,0,0|2,0,0]=4 2883 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [2,0,0,0,0,0|2,0,0]=4 2884 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [2,0,0,0,0,0|2,0,0]=4 2885 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [2,0,0,0,0,0|2,0,0]=4 2886 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [2,0,0,0,0,0|2,0,0]=4 2887 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [2,0,0,0,0,0|2,0,0]=4 2888 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [2,0,0,0,0,0|2,0,0]=4 2889 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [2,0,0,0,0,0|2,0,0]=4 2890 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [2,0,0,0,0,0|2,0,0]=4 2891 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [2,0,0,0,0,0|2,0,0]=4 2892 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [2,0,0,0,0,0|2,0,0]=4 2893 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [2,0,0,0,0,0|2,0,0]=4 2894 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [2,0,0,0,0,0|2,0,0]=4 2895 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [2,0,0,0,0,0|2,0,0]=4 2896 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [2,0,0,0,0,0|2,0,0]=4 2897 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [2,0,0,0,0,0|2,0,0]=4 2898 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [2,0,0,0,0,0|2,0,0]=4 2899 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [2,0,0,0,0,0|2,0,0]=4 2900 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [2,0,0,0,0,0|2,0,0]=4 2901 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [2,0,0,0,0,0|2,0,0]=4 2902 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [2,0,0,0,0,0|1,0,1]=4 2903 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [2,0,0,0,0,0|1,0,1]=4 2904 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [2,0,0,0,0,0|1,0,1]=4 2905 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [2,0,0,0,0,0|1,0,1]=4 2906 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [2,0,0,0,0,0|1,0,1]=4 2907 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [2,0,0,0,0,0|0,0,2]=4 2908 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [2,0,0,0,0,0|0,0,2]=4 2909 B7R0.4 C=COCCN(C)C 2230a_100102631434_100000039644 [2,0,0,0,0,0|1,0,1]=4 2910 B7R0.4 C=COCCN(C)C 269982a_100102631434_100000039644 [2,0,0,0,0,0|1,0,1]=4 2911 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [2,0,0,0,0,0|2,0,0]=4 2912 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|2,0,0]=4 2913 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|2,0,0]=4 2914 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [2,0,0,0,0,0|2,0,0]=4 2915 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [2,0,0,0,0,0|2,0,0]=4 2916 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [2,0,0,0,0,0|2,0,0]=4 2917 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [2,0,0,0,0,0|2,0,0]=4 2918 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 2919 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 2920 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 2921 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [2,0,0,0,0,0|2,0,0]=4 2922 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [2,0,0,0,0,0|2,0,0]=4 2923 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [2,0,0,0,0,0|2,0,0]=4 2924 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [2,0,0,0,0,0|2,0,0]=4 2925 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [2,0,0,0,0,0|2,0,0]=4 2926 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [2,0,0,0,0,0|2,0,0]=4 2927 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [2,0,0,0,0,0|2,0,0]=4 2928 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [2,0,0,0,0,0|1,0,0]=3 2929 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [2,0,0,0,0,0|1,0,0]=3 2930 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [2,0,0,0,0,0|2,0,0]=4 2931 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [2,0,0,0,0,0|2,0,0]=4 2932 B7R0.4 CC(Br)CCOCF 34a_100009893172_100015361967 [2,0,0,0,0,0|2,0,0]=4 2933 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [2,0,0,0,0,0|1,0,1]=4 2934 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [2,0,0,0,0,0|1,0,1]=4 2935 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [2,0,0,0,0,0|1,0,1]=4 2936 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [2,0,0,0,0,0|1,0,1]=4 2937 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [2,0,0,0,0,0|1,0,1]=4 2938 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [2,0,0,0,0,0|1,0,1]=4 2939 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [2,0,0,0,0,0|1,0,0]=3 2940 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [2,0,0,0,0,0|1,0,0]=3 2941 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [2,0,0,0,0,0|1,1,0]=4 2942 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [2,0,0,0,0,0|1,1,0]=4 2943 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [2,0,0,0,0,0|2,0,0]=4 2944 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [2,0,0,0,0,0|2,0,0]=4 2945 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [2,0,0,0,0,0|2,0,0]=4 2946 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [2,0,0,0,0,0|1,0,1]=4 2947 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [2,0,0,0,0,0|1,0,1]=4 2948 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [2,0,0,0,0,0|1,0,1]=4 2949 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [2,0,0,0,0,0|1,0,1]=4 2950 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [2,0,0,0,0,0|2,0,0]=4 2951 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [2,0,0,0,0,0|2,0,0]=4 2952 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [2,0,0,0,0,0|1,0,1]=4 2953 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [2,0,0,0,0,0|1,0,1]=4 2954 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [2,0,0,0,0,0|1,0,1]=4 2955 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [2,0,0,0,0,0|1,0,1]=4 2956 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [2,0,0,0,0,0|1,0,1]=4 2957 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [2,0,0,0,0,0|1,0,1]=4 2958 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [2,0,0,0,0,0|1,0,1]=4 2959 B7R0.4 CCC=NNC(C)C 4a_100000741168_100000210100 [2,0,0,0,0,0|2,0,0]=4 2960 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [2,0,0,0,0,0|1,0,1]=4 2961 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [2,0,0,0,0,0|1,0,1]=4 2962 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [2,0,0,0,0,0|1,0,1]=4 2963 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [2,0,0,0,0,0|1,0,1]=4 2964 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|1,0,0]=3 2965 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|1,0,0]=3 2966 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|1,0,0]=3 2967 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [2,0,0,0,0,0|1,0,1]=4 2968 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [2,0,0,0,0,0|1,0,1]=4 2969 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [2,0,0,0,0,0|1,0,1]=4 2970 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [2,0,0,0,0,0|1,0,1]=4 2971 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [2,0,0,0,0,0|1,0,1]=4 2972 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [2,0,0,0,0,0|1,0,1]=4 2973 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 2974 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 2975 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 2976 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [2,0,0,0,0,0|1,0,0]=3 2977 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [2,0,0,0,0,0|1,0,1]=4 2978 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [2,0,0,0,0,0|1,0,1]=4 2979 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [2,0,0,0,0,0|1,0,1]=4 2980 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [2,0,0,0,0,0|1,0,1]=4 2981 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [2,0,0,0,0,0|1,0,1]=4 2982 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [2,0,0,0,0,0|1,0,1]=4 2983 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [2,0,0,0,0,0|1,0,1]=4 2984 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [2,0,0,0,0,0|1,0,1]=4 2985 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [2,0,0,0,0,0|1,0,1]=4 2986 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [2,0,0,0,0,0|1,0,1]=4 2987 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [2,0,0,0,0,0|1,0,1]=4 2988 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [2,0,0,0,0,0|1,0,1]=4 2989 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [2,0,0,0,0,0|2,0,0]=4 2990 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [2,0,0,0,0,0|2,0,0]=4 2991 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [2,0,0,0,0,0|2,0,0]=4 2992 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [2,0,0,0,0,0|2,0,0]=4 2993 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [2,0,0,0,0,0|1,0,1]=4 2994 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [2,0,0,0,0,0|0,0,1]=3 2995 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [2,0,0,0,0,0|0,0,1]=3 2996 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [2,0,0,0,0,0|1,0,1]=4 2997 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [2,0,0,0,0,0|1,0,1]=4 2998 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [2,0,0,0,0,0|1,0,1]=4 2999 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [2,0,0,0,0,0|1,0,1]=4 3000 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [2,0,0,0,0,0|1,0,1]=4 3001 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [2,0,0,0,0,0|2,0,0]=4 3002 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [2,0,0,0,0,0|2,0,0]=4 3003 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [2,0,0,0,0,0|0,1,1]=4 3004 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [2,0,0,0,0,0|0,1,1]=4 3005 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [2,0,0,0,0,0|1,0,0]=3 3006 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [2,0,0,0,0,0|1,0,0]=3 3007 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [2,0,0,0,0,0|2,0,0]=4 3008 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [2,0,0,0,0,0|2,0,0]=4 3009 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [2,0,0,0,0,0|2,0,0]=4 3010 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [2,0,0,0,0,0|0,0,2]=4 3011 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [2,0,0,0,0,0|0,0,2]=4 3012 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [2,0,0,0,0,0|1,0,1]=4 3013 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [2,0,0,0,0,0|1,0,1]=4 3014 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [2,0,0,0,0,0|1,0,1]=4 3015 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [2,0,0,0,0,0|1,0,1]=4 3016 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [2,0,0,0,0,0|1,0,1]=4 3017 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [2,0,0,0,0,0|1,0,0]=3 3018 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [2,0,0,0,0,0|0,0,0]=2 3019 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [2,0,0,0,0,0|0,0,0]=2 3020 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [2,0,0,0,0,0|0,0,0]=2 3021 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [2,0,0,0,0,0|1,0,0]=3 3022 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [2,0,0,0,0,0|2,0,0]=4 3023 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [2,0,0,0,0,0|1,0,0]=3 3024 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [2,0,0,0,0,0|1,0,0]=3 3025 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [2,0,0,0,0,0|1,0,0]=3 3026 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [2,0,0,0,0,0|1,0,0]=3 3027 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [2,0,0,0,0,0|1,0,0]=3 3028 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [2,0,0,0,0,0|1,0,0]=3 3029 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [2,0,0,0,0,0|1,0,0]=3 3030 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [2,0,0,0,0,0|2,0,0]=4 3031 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [2,0,0,0,0,0|2,0,0]=4 3032 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [2,0,0,0,0,0|2,0,0]=4 3033 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [2,0,0,0,0,0|2,0,0]=4 3034 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [2,0,0,0,0,0|2,0,0]=4 3035 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [2,0,0,0,0,0|0,1,0]=3 3036 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [2,0,0,0,0,0|0,1,0]=3 3037 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [2,0,0,0,0,0|1,1,0]=4 3038 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [2,0,0,0,0,0|1,1,0]=4 3039 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [2,0,0,0,0,0|1,1,0]=4 3040 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [2,0,0,0,0,0|1,1,0]=4 3041 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [2,0,0,0,0,0|1,1,0]=4 3042 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [2,0,0,0,0,0|1,0,0]=3 3043 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [2,0,0,0,0,0|1,0,0]=3 3044 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [2,0,0,0,0,0|1,1,0]=4 3045 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [2,0,0,0,0,0|1,1,0]=4 3046 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [2,0,0,0,0,0|2,0,0]=4 3047 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [2,0,0,0,0,0|2,0,0]=4 3048 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [2,0,0,0,0,0|2,0,0]=4 3049 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [2,0,0,0,0,0|2,0,0]=4 3050 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [2,0,0,0,0,0|1,0,1]=4 3051 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [2,0,0,0,0,0|1,0,1]=4 3052 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [2,0,0,0,0,0|1,0,1]=4 3053 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [2,0,0,0,0,0|1,0,1]=4 3054 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [2,0,0,0,0,0|1,0,1]=4 3055 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [2,0,0,0,0,0|2,0,0]=4 3056 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [2,0,0,0,0,0|2,0,0]=4 3057 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [2,0,0,0,0,0|2,0,0]=4 3058 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [2,0,0,0,0,0|1,0,0]=3 3059 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [2,0,0,0,0,0|1,0,0]=3 3060 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [2,0,0,0,0,0|2,0,0]=4 3061 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [2,0,0,0,0,0|2,0,0]=4 3062 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [2,0,0,0,0,0|2,0,0]=4 3063 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [2,0,0,0,0,0|2,0,0]=4 3064 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [2,0,0,0,0,0|2,0,0]=4 3065 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [2,0,0,0,0,0|2,0,0]=4 3066 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [2,0,0,0,0,0|2,0,0]=4 3067 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [2,0,0,0,0,0|2,0,0]=4 3068 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [2,0,0,0,0,0|1,0,1]=4 3069 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [2,0,0,0,0,0|1,0,1]=4 3070 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [2,0,0,0,0,0|1,0,1]=4 3071 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [2,0,0,0,0,0|2,0,0]=4 3072 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [2,0,0,0,0,0|2,0,0]=4 3073 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [2,0,0,0,0,0|2,0,0]=4 3074 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [2,0,0,0,0,0|2,0,0]=4 3075 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [2,0,0,0,0,0|1,0,0]=3 3076 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [2,0,0,0,0,0|2,0,0]=4 3077 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [2,0,0,0,0,0|2,0,0]=4 3078 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [2,0,0,0,0,0|2,0,0]=4 3079 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [2,0,0,0,0,0|2,0,0]=4 3080 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [2,0,0,0,0,0|2,0,0]=4 3081 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [2,0,0,0,0,0|2,0,0]=4 3082 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [2,0,0,0,0,0|1,0,1]=4 3083 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [2,0,0,0,0,0|1,0,1]=4 3084 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 3085 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 3086 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 3087 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [2,0,0,0,0,0|2,0,0]=4 3088 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [2,0,0,0,0,0|2,0,0]=4 3089 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [2,0,0,0,0,0|2,0,0]=4 3090 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [2,0,0,0,0,0|1,0,0]=3 3091 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [2,0,0,0,0,0|1,0,0]=3 3092 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [2,0,0,0,0,0|2,0,0]=4 3093 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [2,0,0,0,0,0|2,0,0]=4 3094 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [2,0,0,0,0,0|1,0,1]=4 3095 B7R0.4 C[C@@H](N)CCOCF 34a_100000706166_100015361967 [2,0,0,0,0,0|2,0,0]=4 3096 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|2,0,0]=4 3097 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [2,0,0,0,0,0|2,0,0]=4 3098 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [2,0,0,0,0,0|2,0,0]=4 3099 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [2,0,0,0,0,0|2,0,0]=4 3100 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [1,1,0,0,0,0|1,0,1]=4 3101 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [1,1,0,0,0,0|1,0,1]=4 3102 B9R0.5 C#CCC(=O)NCCCC 1626a_100000102301_100011220946 [1,1,0,0,0,0|1,0,1]=4 3103 B9R0.5 C#CCC(=O)NCCCC 527a_100000102301_100011220946 [1,1,0,0,0,0|1,0,1]=4 3104 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [1,1,0,0,0,0|1,0,1]=4 3105 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [1,1,0,0,0,0|1,0,1]=4 3106 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [1,1,0,0,0,0|1,0,1]=4 3107 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [1,1,0,0,0,0|1,0,1]=4 3108 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [1,1,0,0,0,0|1,0,1]=4 3109 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [1,1,0,0,0,0|1,0,1]=4 3110 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [1,1,0,0,0,0|1,0,1]=4 3111 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [1,1,0,0,0,0|1,0,1]=4 3112 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [1,1,0,0,0,0|1,0,1]=4 3113 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [1,1,0,0,0,0|1,0,1]=4 3114 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [1,1,0,0,0,0|1,0,1]=4 3115 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [1,1,0,0,0,0|1,0,1]=4 3116 B9R0.5 CCCC#CC(=O)CCF 1458a_200011218047_100011217306 [1,1,0,0,0,0|1,0,1]=4 3117 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [1,1,0,0,0,0|1,0,1]=4 3118 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [1,1,0,0,0,0|1,0,1]=4 3119 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,1,0,0,0,0|2,0,0]=4 3120 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,1,0,0,0,0|2,0,0]=4 3121 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,1,0,0,0,0|2,0,0]=4 3122 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [1,1,0,0,0,0|2,0,0]=4 3123 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [1,1,0,0,0,0|2,0,0]=4 3124 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [1,1,0,0,0,0|2,0,0]=4 3125 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,1,0,0,0,0|2,0,0]=4 3126 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,1,0,0,0,0|2,0,0]=4 3127 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,1,0,0,0,0|2,0,0]=4 3128 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,1,0,0,0,0|2,0,0]=4 3129 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [1,1,0,0,0,0|2,0,0]=4 3130 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [1,1,0,0,0,0|2,0,0]=4 3131 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [1,1,0,0,0,0|2,0,0]=4 3132 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [1,1,0,0,0,0|2,0,0]=4 3133 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [1,1,0,0,0,0|2,0,0]=4 3134 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [1,1,0,0,0,0|2,0,0]=4 3135 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [1,1,0,0,0,0|2,0,0]=4 3136 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [1,1,0,0,0,0|2,0,0]=4 3137 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [1,1,0,0,0,0|2,0,0]=4 3138 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [1,1,0,0,0,0|2,0,0]=4 3139 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [1,1,0,0,0,0|2,0,0]=4 3140 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [1,1,0,0,0,0|2,0,0]=4 3141 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [1,1,0,0,0,0|2,0,0]=4 3142 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [1,1,0,0,0,0|1,0,0]=3 3143 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [1,1,0,0,0,0|1,0,0]=3 3144 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [1,1,0,0,0,0|1,0,0]=3 3145 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [1,1,0,0,0,0|2,0,0]=4 3146 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [1,1,0,0,0,0|1,0,1]=4 3147 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [1,1,0,0,0,0|1,0,1]=4 3148 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [1,1,0,0,0,0|1,0,1]=4 3149 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [1,1,0,0,0,0|1,0,1]=4 3150 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [1,1,0,0,0,0|1,0,1]=4 3151 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [1,1,0,0,0,0|1,0,1]=4 3152 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [1,1,0,0,0,0|1,0,1]=4 3153 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,1,0,0,0,0|1,0,0]=3 3154 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,1,0,0,0,0|1,0,0]=3 3155 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,1,0,0,0,0|1,0,0]=3 3156 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,1,0,0,0,0|1,0,0]=3 3157 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,1,0,0,0,0|1,0,0]=3 3158 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,1,0,0,0,0|1,0,0]=3 3159 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,1,0,0,0,0|1,0,0]=3 3160 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,1,0,0,0,0|1,0,0]=3 3161 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,1,0,0,0,0|1,0,0]=3 3162 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,1,0,0,0,0|1,0,0]=3 3163 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [1,1,0,0,0,0|1,0,0]=3 3164 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [1,1,0,0,0,0|1,0,0]=3 3165 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [1,1,0,0,0,0|1,0,0]=3 3166 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [1,1,0,0,0,0|1,0,0]=3 3167 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [1,1,0,0,0,0|1,0,0]=3 3168 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,1,0,0,0,0|1,0,0]=3 3169 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,1,0,0,0,0|1,0,0]=3 3170 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,1,0,0,0,0|1,0,0]=3 3171 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [1,1,0,0,0,0|2,0,0]=4 3172 B9R0.5 CCCCNC(=O)CC#N 1626a_100000102301_100051588842 [1,1,0,0,0,0|1,0,1]=4 3173 B9R0.5 CCCCNC(=O)CC#N 240690a_100000102301_100051588842 [1,1,0,0,0,0|1,0,1]=4 3174 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,1,0,0,0,0|1,0,0]=3 3175 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,1,0,0,0,0|1,0,0]=3 3176 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,1,0,0,0,0|1,0,0]=3 3177 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,1,0,0,0,0|1,0,0]=3 3178 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [1,1,0,0,0,0|1,0,0]=3 3179 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [1,1,0,0,0,0|1,0,0]=3 3180 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [1,1,0,0,0,0|1,0,0]=3 3181 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [1,1,0,0,0,0|1,0,0]=3 3182 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [1,1,0,0,0,0|1,0,0]=3 3183 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [1,1,0,0,0,0|1,0,0]=3 3184 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [1,1,0,0,0,0|1,0,0]=3 3185 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [1,1,0,0,0,0|1,0,0]=3 3186 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [1,1,0,0,0,0|1,0,0]=3 3187 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [1,1,0,0,0,0|1,0,0]=3 3188 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [1,1,0,0,0,0|1,0,0]=3 3189 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [1,1,0,0,0,0|1,0,0]=3 3190 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [1,1,0,0,0,0|1,0,0]=3 3191 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [1,1,0,0,0,0|1,0,0]=3 3192 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [1,1,0,0,0,0|1,0,0]=3 3193 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [1,1,0,0,0,0|1,0,0]=3 3194 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [1,1,0,0,0,0|1,0,0]=3 3195 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [1,1,0,0,0,0|1,0,0]=3 3196 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [1,1,0,0,0,0|1,0,0]=3 3197 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [1,1,0,0,0,0|1,0,0]=3 3198 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [1,1,0,0,0,0|1,0,0]=3 3199 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [1,1,0,0,0,0|1,0,0]=3 3200 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [1,1,0,0,0,0|1,0,0]=3 3201 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [1,1,0,0,0,0|2,0,0]=4 3202 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [1,1,0,0,0,0|2,0,0]=4 3203 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [1,1,0,0,0,0|2,0,0]=4 3204 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [1,1,0,0,0,0|0,0,0]=2 3205 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [1,1,0,0,0,0|0,0,0]=2 3206 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [1,1,0,0,0,0|0,0,0]=2 3207 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [1,1,0,0,0,0|0,0,0]=2 3208 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [1,1,0,0,0,0|0,0,0]=2 3209 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [1,1,0,0,0,0|0,0,0]=2 3210 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [1,1,0,0,0,0|0,0,0]=2 3211 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [1,1,0,0,0,0|0,0,0]=2 3212 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [1,1,0,0,0,0|1,0,1]=4 3213 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [1,1,0,0,0,0|1,0,1]=4 3214 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [1,1,0,0,0,0|1,0,1]=4 3215 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [1,1,0,0,0,0|1,0,1]=4 3216 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [1,1,0,0,0,0|1,0,1]=4 3217 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [1,1,0,0,0,0|1,0,1]=4 3218 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [1,1,0,0,0,0|1,0,1]=4 3219 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [1,1,0,0,0,0|1,0,1]=4 3220 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [1,1,0,0,0,0|1,0,1]=4 3221 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [1,1,0,0,0,0|1,0,1]=4 3222 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [1,1,0,0,0,0|2,0,0]=4 3223 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [1,1,0,0,0,0|2,0,0]=4 3224 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [1,1,0,0,0,0|2,0,0]=4 3225 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [1,1,0,0,0,0|2,0,0]=4 3226 B9R0.5 CCCNNC(=O)CSC 22a_100000740057_100000184570 [1,1,0,0,0,0|2,0,0]=4 3227 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [1,1,0,0,0,0|2,0,0]=4 3228 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [1,1,0,0,0,0|2,0,0]=4 3229 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [1,1,0,0,0,0|2,0,0]=4 3230 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,1,0,0,0,0|2,0,0]=4 3231 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [1,1,0,0,0,0|2,0,0]=4 3232 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [1,1,0,0,0,0|2,0,0]=4 3233 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [1,1,0,0,0,0|2,0,0]=4 3234 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [1,1,0,0,0,0|2,0,0]=4 3235 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [1,1,0,0,0,0|2,0,0]=4 3236 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [1,1,0,0,0,0|2,0,0]=4 3237 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [1,1,0,0,0,0|2,0,0]=4 3238 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,1,0,0,0,0|2,0,0]=4 3239 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,1,0,0,0,0|2,0,0]=4 3240 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,1,0,0,0,0|2,0,0]=4 3241 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [1,1,0,0,0,0|2,0,0]=4 3242 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [1,1,0,0,0,0|2,0,0]=4 3243 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [1,1,0,0,0,0|2,0,0]=4 3244 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [1,1,0,0,0,0|2,0,0]=4 3245 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [1,1,0,0,0,0|2,0,0]=4 3246 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [1,1,0,0,0,0|2,0,0]=4 3247 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [1,1,0,0,0,0|2,0,0]=4 3248 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [1,1,0,0,0,0|2,0,0]=4 3249 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [1,1,0,0,0,0|2,0,0]=4 3250 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [1,1,0,0,0,0|2,0,0]=4 3251 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [1,1,0,0,0,0|2,0,0]=4 3252 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [1,1,0,0,0,0|2,0,0]=4 3253 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [1,1,0,0,0,0|2,0,0]=4 3254 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [1,1,0,0,0,0|2,0,0]=4 3255 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [1,1,0,0,0,0|2,0,0]=4 3256 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [1,1,0,0,0,0|2,0,0]=4 3257 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [1,1,0,0,0,0|2,0,0]=4 3258 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [1,1,0,0,0,0|2,0,0]=4 3259 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [1,1,0,0,0,0|2,0,0]=4 3260 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [1,1,0,0,0,0|2,0,0]=4 3261 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [1,1,0,0,0,0|2,0,0]=4 3262 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [1,1,0,0,0,0|2,0,0]=4 3263 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [1,1,0,0,0,0|2,0,0]=4 3264 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [1,1,0,0,0,0|2,0,0]=4 3265 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [1,1,0,0,0,0|2,0,0]=4 3266 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [1,1,0,0,0,0|2,0,0]=4 3267 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [1,1,0,0,0,0|2,0,0]=4 3268 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [1,1,0,0,0,0|2,0,0]=4 3269 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [1,1,0,0,0,0|2,0,0]=4 3270 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [1,1,0,0,0,0|2,0,0]=4 3271 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [1,1,0,0,0,0|2,0,0]=4 3272 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [1,1,0,0,0,0|2,0,0]=4 3273 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [1,1,0,0,0,0|2,0,0]=4 3274 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [1,1,0,0,0,0|2,0,0]=4 3275 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [1,1,0,0,0,0|2,0,0]=4 3276 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [1,1,0,0,0,0|2,0,0]=4 3277 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [1,1,0,0,0,0|2,0,0]=4 3278 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [1,1,0,0,0,0|2,0,0]=4 3279 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [1,1,0,0,0,0|2,0,0]=4 3280 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [1,1,0,0,0,0|2,0,0]=4 3281 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [1,1,0,0,0,0|2,0,0]=4 3282 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [1,1,0,0,0,0|2,0,0]=4 3283 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [1,1,0,0,0,0|2,0,0]=4 3284 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [1,1,0,0,0,0|2,0,0]=4 3285 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [1,1,0,0,0,0|2,0,0]=4 3286 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [1,1,0,0,0,0|2,0,0]=4 3287 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [1,1,0,0,0,0|2,0,0]=4 3288 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [1,1,0,0,0,0|2,0,0]=4 3289 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [1,1,0,0,0,0|2,0,0]=4 3290 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [1,1,0,0,0,0|2,0,0]=4 3291 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [1,1,0,0,0,0|2,0,0]=4 3292 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [1,1,0,0,0,0|2,0,0]=4 3293 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [1,1,0,0,0,0|2,0,0]=4 3294 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [1,1,0,0,0,0|2,0,0]=4 3295 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [1,1,0,0,0,0|2,0,0]=4 3296 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [1,1,0,0,0,0|2,0,0]=4 3297 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [1,1,0,0,0,0|2,0,0]=4 3298 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [1,1,0,0,0,0|2,0,0]=4 3299 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [1,1,0,0,0,0|2,0,0]=4 3300 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [1,1,0,0,0,0|2,0,0]=4 3301 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [1,1,0,0,0,0|2,0,0]=4 3302 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [1,1,0,0,0,0|2,0,0]=4 3303 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [1,1,0,0,0,0|1,0,0]=3 3304 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [1,1,0,0,0,0|2,0,0]=4 3305 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [1,1,0,0,0,0|2,0,0]=4 3306 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,1,0,0,0,0|2,0,0]=4 3307 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,1,0,0,0,0|2,0,0]=4 3308 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [1,1,0,0,0,0|2,0,0]=4 3309 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [1,1,0,0,0,0|2,0,0]=4 3310 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [1,1,0,0,0,0|2,0,0]=4 3311 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [1,1,0,0,0,0|2,0,0]=4 3312 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [1,1,0,0,0,0|2,0,0]=4 3313 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [1,1,0,0,0,0|2,0,0]=4 3314 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [1,1,0,0,0,0|2,0,0]=4 3315 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [1,1,0,0,0,0|2,0,0]=4 3316 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [1,1,0,0,0,0|2,0,0]=4 3317 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [1,1,0,0,0,0|2,0,0]=4 3318 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [1,1,0,0,0,0|2,0,0]=4 3319 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [1,1,0,0,0,0|2,0,0]=4 3320 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [1,1,0,0,0,0|1,0,0]=3 3321 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [1,1,0,0,0,0|1,0,0]=3 3322 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [1,1,0,0,0,0|1,0,0]=3 3323 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [1,1,0,0,0,0|2,0,0]=4 3324 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [1,1,0,0,0,0|2,0,0]=4 3325 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [1,1,0,0,0,0|2,0,0]=4 3326 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [1,1,0,0,0,0|2,0,0]=4 3327 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [1,1,0,0,0,0|2,0,0]=4 3328 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [1,1,0,0,0,0|2,0,0]=4 3329 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [1,1,0,0,0,0|2,0,0]=4 3330 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [1,1,0,0,0,0|2,0,0]=4 3331 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [1,1,0,0,0,0|2,0,0]=4 3332 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [1,1,0,0,0,0|2,0,0]=4 3333 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [1,1,0,0,0,0|2,0,0]=4 3334 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [1,1,0,0,0,0|2,0,0]=4 3335 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [1,1,0,0,0,0|2,0,0]=4 3336 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [1,1,0,0,0,0|2,0,0]=4 3337 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [1,1,0,0,0,0|2,0,0]=4 3338 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [1,1,0,0,0,0|2,0,0]=4 3339 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [1,1,0,0,0,0|2,0,0]=4 3340 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [1,1,0,0,0,0|2,0,0]=4 3341 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [1,1,0,0,0,0|2,0,0]=4 3342 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [1,1,0,0,0,0|2,0,0]=4 3343 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [1,1,0,0,0,0|2,0,0]=4 3344 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [1,1,0,0,0,0|2,0,0]=4 3345 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [1,1,0,0,0,0|2,0,0]=4 3346 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [1,1,0,0,0,0|2,0,0]=4 3347 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [1,1,0,0,0,0|2,0,0]=4 3348 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [1,1,0,0,0,0|2,0,0]=4 3349 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [1,1,0,0,0,0|2,0,0]=4 3350 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [1,1,0,0,0,0|2,0,0]=4 3351 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [1,1,0,0,0,0|2,0,0]=4 3352 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [1,1,0,0,0,0|2,0,0]=4 3353 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [1,1,0,0,0,0|1,0,0]=3 3354 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [1,1,0,0,0,0|1,0,0]=3 3355 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [1,1,0,0,0,0|1,0,0]=3 3356 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [1,1,0,0,0,0|1,0,0]=3 3357 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [1,1,0,0,0,0|1,0,0]=3 3358 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [1,1,0,0,0,0|2,0,0]=4 3359 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [1,1,0,0,0,0|2,0,0]=4 3360 B9R0.5 CSCC(=O)NCCCF 11a_100015189416_100000184570 [1,1,0,0,0,0|2,0,0]=4 3361 B9R0.5 CSCC(=O)NCCCF 1626a_100015189416_100000184570 [1,1,0,0,0,0|2,0,0]=4 3362 B9R0.5 CSCC(=O)NCCCF 240690a_100015189416_100000184570 [1,1,0,0,0,0|2,0,0]=4 3363 B9R0.5 CSCC(=O)NCCCF 527a_100015189416_100000184570 [1,1,0,0,0,0|2,0,0]=4 3364 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [1,1,0,0,0,0|2,0,0]=4 3365 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [1,1,0,0,0,0|2,0,0]=4 3366 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [1,1,0,0,0,0|2,0,0]=4 3367 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [1,1,0,0,0,0|2,0,0]=4 3368 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [1,1,0,0,0,0|2,0,0]=4 3369 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [1,1,0,0,0,0|2,0,0]=4 3370 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [1,1,0,0,0,0|2,0,0]=4 3371 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [1,1,0,0,0,0|2,0,0]=4 3372 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [1,1,0,0,0,0|2,0,0]=4 3373 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [1,1,0,0,0,0|2,0,0]=4 3374 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [1,1,0,0,0,0|2,0,0]=4 3375 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,1,0,0,0,0|2,0,0]=4 3376 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,1,0,0,0,0|2,0,0]=4 3377 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [1,1,0,0,0,0|2,0,0]=4 3378 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [1,1,0,0,0,0|2,0,0]=4 3379 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [1,1,0,0,0,0|2,0,0]=4 3380 B9R0.8 CCC(=O)N(C)CCCO 240690a_100000213112_100000210414 [1,1,0,0,0,0|2,0,0]=4 3381 B9R0.8 CCC(=O)N(C)CCCO 527a_100000213112_100000210414 [1,1,0,0,0,0|2,0,0]=4 3382 B9R0.8 CCC(=O)N(C)CCOC 11a_100000743101_100000210414 [1,1,0,0,0,0|2,0,0]=4 3383 B9R0.8 CCC(=O)N(C)CCOC 1626a_100000743101_100000210414 [1,1,0,0,0,0|2,0,0]=4 3384 B9R0.8 CCC(=O)N(C)CCOC 240690a_100000743101_100000210414 [1,1,0,0,0,0|2,0,0]=4 3385 B9R0.8 CCC(=O)N(C)CCOC 527a_100000743101_100000210414 [1,1,0,0,0,0|2,0,0]=4 3386 B9R0.8 CCC(=O)N(C)CCSC 11a_100000686725_100000210414 [1,1,0,0,0,0|2,0,0]=4 3387 B9R0.8 CCC(=O)N(C)CCSC 1626a_100000686725_100000210414 [1,1,0,0,0,0|2,0,0]=4 3388 B9R0.8 CCC(=O)N(C)CCSC 240690a_100000686725_100000210414 [1,1,0,0,0,0|2,0,0]=4 3389 B9R0.8 CCC(=O)N(C)CCSC 527a_100000686725_100000210414 [1,1,0,0,0,0|2,0,0]=4 3390 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [1,1,0,0,0,0|1,0,1]=4 3391 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [1,1,0,0,0,0|2,0,0]=4 3392 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [1,1,0,0,0,0|1,0,0]=3 3393 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [1,1,0,0,0,0|1,0,0]=3 3394 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [1,1,0,0,0,0|2,0,0]=4 3395 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [1,1,0,0,0,0|2,0,0]=4 3396 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [1,1,0,0,0,0|2,0,0]=4 3397 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [1,1,0,0,0,0|2,0,0]=4 3398 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [1,1,0,0,0,0|2,0,0]=4 3399 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [1,1,0,0,0,0|2,0,0]=4 3400 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [1,1,0,0,0,0|1,0,0]=3 3401 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [1,1,0,0,0,0|2,0,0]=4 3402 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [1,1,0,0,0,0|2,0,0]=4 3403 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [1,1,0,0,0,0|2,0,0]=4 3404 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [1,1,0,0,0,0|1,0,0]=3 3405 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [1,1,0,0,0,0|1,0,0]=3 3406 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [1,1,0,0,0,0|1,0,0]=3 3407 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [1,1,0,0,0,0|1,0,0]=3 3408 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [1,1,0,0,0,0|2,0,0]=4 3409 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [1,1,0,0,0,0|2,0,0]=4 3410 B9R0.8 CCCCN(C)C(=O)NC 2708a_100102657272_100000207549 [1,1,0,0,0,0|2,0,0]=4 3411 B9R0.8 CCCCN(C)C(=O)NC 273464a_100102657272_100000207549 [1,1,0,0,0,0|2,0,0]=4 3412 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [1,1,0,0,0,0|2,0,0]=4 3413 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [1,1,0,0,0,0|2,0,0]=4 3414 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [1,1,0,0,0,0|2,0,0]=4 3415 B9R0.20 CCCCNS(=O)(=O)CC 270084a_100000102301_100000211323 [1,1,0,0,0,0|2,0,0]=4 3416 B9R0.20 CCCCNS(=O)(=O)CC 274078a_100000102301_100000211323 [1,1,0,0,0,0|2,0,0]=4 3417 B9R0.20 CCCCNS(=O)(=O)CC 40a_100000102301_100000053943 [1,1,0,0,0,0|2,0,0]=4 3418 B9R0.20 CCCCOC(C)(C)CC 7a_100000210227_100000210677 [1,1,0,0,0,0|1,0,1]=4 3419 B9R0.20 CCCCOC(C)(C)CC 7a_100000210230_100000210211 [1,1,0,0,0,0|1,0,1]=4 3420 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [1,1,0,0,0,0|1,0,0]=3 3421 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [1,1,0,0,0,0|2,0,0]=4 3422 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [1,1,0,0,0,0|2,0,0]=4 3423 B9R0.24 CCC(=O)CNC(=O)CC 1458a_100000194589_100000210202 [1,1,0,0,0,0|1,0,1]=4 3424 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [1,1,0,0,0,0|2,0,0]=4 3425 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [1,1,0,0,0,0|2,0,0]=4 3426 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [1,1,0,0,0,0|2,0,0]=4 3427 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [1,1,0,0,0,0|2,0,0]=4 3428 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [1,1,0,0,0,0|1,0,0]=3 3429 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [1,1,0,0,0,0|1,0,0]=3 3430 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [1,1,0,0,0,0|1,0,0]=3 3431 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [1,1,0,0,0,0|1,0,0]=3 3432 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [1,1,0,0,0,0|2,0,0]=4 3433 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [1,1,0,0,0,0|2,0,0]=4 3434 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [1,1,0,0,0,0|1,0,0]=3 3435 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [1,1,0,0,0,0|1,0,0]=3 3436 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [1,1,0,0,0,0|1,0,0]=3 3437 B9R0.24 CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210414 [1,1,0,0,0,0|2,0,0]=4 3438 B9R0.24 CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210414 [1,1,0,0,0,0|2,0,0]=4 3439 B9R0.24 CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210414 [1,1,0,0,0,0|2,0,0]=4 3440 B9R0.24 CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210414 [1,1,0,0,0,0|2,0,0]=4 3441 B9R0.24 CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210414 [1,1,0,0,0,0|2,0,0]=4 3442 B9R0.24 CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210414 [1,1,0,0,0,0|2,0,0]=4 3443 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [1,1,0,0,0,0|2,0,0]=4 3444 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [1,1,0,0,0,0|2,0,0]=4 3445 B9R0.24 CCC(=O)NNC(C)CC 22a_100000718999_100000210414 [1,1,0,0,0,0|2,0,0]=4 3446 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [1,1,0,0,0,0|2,0,0]=4 3447 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [1,1,0,0,0,0|2,0,0]=4 3448 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [1,1,0,0,0,0|2,0,0]=4 3449 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [1,1,0,0,0,0|2,0,0]=4 3450 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [1,1,0,0,0,0|2,0,0]=4 3451 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [1,1,0,0,0,0|2,0,0]=4 3452 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [1,1,0,0,0,0|2,0,0]=4 3453 B9R0.24 CCC(C)CNC(=O)NC 2708a_100020588543_106832991635 [1,1,0,0,0,0|2,0,0]=4 3454 B9R0.24 CCC(C)CNC(=O)NC 2708a_100102657272_100020588543 [1,1,0,0,0,0|2,0,0]=4 3455 B9R0.24 CCC(C)CNC(=O)NC 273464a_100020588543_100102657272 [1,1,0,0,0,0|2,0,0]=4 3456 B9R0.24 CCC(C)CNC(=O)NC 273464a_100102657272_100020588543 [1,1,0,0,0,0|2,0,0]=4 3457 B9R0.24 CCC(C)CNC(=O)NC 512a_100020588543_100102657272 [1,1,0,0,0,0|2,0,0]=4 3458 B9R0.24 CCC(C)CNC(=O)NC 512a_106832991638_100020588543 [1,1,0,0,0,0|2,0,0]=4 3459 B9R0.24 CCC(C)COC(C)CC 7a_100000210228_100000748023 [1,1,0,0,0,0|1,0,1]=4 3460 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100000210228_100009816398 [1,1,0,0,0,0|1,0,1]=4 3461 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100009816381_100000758301 [1,1,0,0,0,0|1,0,1]=4 3462 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [1,1,0,0,0,0|2,0,0]=4 3463 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [1,1,0,0,0,0|2,0,0]=4 3464 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [1,1,0,0,0,0|2,0,0]=4 3465 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [1,1,0,0,0,0|2,0,0]=4 3466 B9R0.24 CCC(O)CNC(=O)NC 2708a_100102657272_100011218483 [1,1,0,0,0,0|2,0,0]=4 3467 B9R0.24 CCC(O)CNC(=O)NC 273464a_100011218483_100102657272 [1,1,0,0,0,0|2,0,0]=4 3468 B9R0.24 CCC(O)CNC(=O)NC 273464a_100102657272_100011218483 [1,1,0,0,0,0|2,0,0]=4 3469 B9R0.24 CCC(O)CNC(=O)NC 512a_100011218483_100102657272 [1,1,0,0,0,0|2,0,0]=4 3470 B9R0.24 CCC(O)COC(C)CC 7a_100000210228_100011218378 [1,1,0,0,0,0|1,0,1]=4 3471 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [1,1,0,0,0,0|1,0,1]=4 3472 B9R0.34 CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210414 [1,1,0,0,0,0|2,0,0]=4 3473 B9R0.34 CCC(=O)N[C@H](C)CCO 527a_100000706166_100000210414 [1,1,0,0,0,0|2,0,0]=4 3474 B9R0.34 CCC(=O)N[C@H](C)COC 11a_100000764878_100000210414 [1,1,0,0,0,0|2,0,0]=4 3475 B9R0.34 CCC(=O)N[C@H](C)COC 1626a_100000764878_100000210414 [1,1,0,0,0,0|2,0,0]=4 3476 B9R0.34 CCC(=O)N[C@H](C)COC 240690a_100000764878_100000210414 [1,1,0,0,0,0|2,0,0]=4 3477 B9R0.34 CCC(=O)N[C@H](C)COC 527a_100000764878_100000210414 [1,1,0,0,0,0|2,0,0]=4 3478 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [1,1,0,0,0,0|1,0,1]=4 3479 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [1,1,0,0,0,0|1,0,1]=4 3480 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [1,1,0,0,0,0|1,0,1]=4 3481 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [1,1,0,0,0,0|1,0,0]=3 3482 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [1,1,0,0,0,0|1,0,0]=3 3483 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [1,1,0,0,0,0|2,0,0]=4 3484 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [1,1,0,0,0,0|2,0,0]=4 3485 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [1,1,0,0,0,0|2,0,0]=4 3486 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [1,1,0,0,0,0|2,0,0]=4 3487 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [1,1,0,0,0,0|2,0,0]=4 3488 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [1,1,0,0,0,0|2,0,0]=4 3489 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [1,1,0,0,0,0|1,0,0]=3 3490 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [1,1,0,0,0,0|1,0,0]=3 3491 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [1,1,0,0,0,0|1,0,0]=3 3492 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [1,1,0,0,0,0|1,0,0]=3 3493 B9R0.34 CCCC(C)NC(=O)CO 240690a_100000741246_100000210174 [1,1,0,0,0,0|2,0,0]=4 3494 B9R0.34 CCCC(C)NC(=O)CO 527a_100000741246_100000210174 [1,1,0,0,0,0|2,0,0]=4 3495 B9R0.34 CCCC(C)NC(=O)NC 2708a_100000741246_106832991635 [1,1,0,0,0,0|2,0,0]=4 3496 B9R0.34 CCCC(C)NC(=O)NC 2708a_100102657272_100000741246 [1,1,0,0,0,0|2,0,0]=4 3497 B9R0.34 CCCC(C)NC(=O)NC 273464a_100000741246_100102657272 [1,1,0,0,0,0|2,0,0]=4 3498 B9R0.34 CCCC(C)NC(=O)NC 512a_100000741246_100102657272 [1,1,0,0,0,0|2,0,0]=4 3499 B9R0.34 CCCC(C)NC(=O)NC 512a_106832991638_100000741246 [1,1,0,0,0,0|2,0,0]=4 3500 B9R0.34 CCCC(C)OC(C)CC 34a_100000764384_100011215416 [1,1,0,0,0,0|1,0,1]=4 3501 B9R0.34 CCCC(C)OC(C)CC 7a_100000210228_100000766640 [1,1,0,0,0,0|1,0,1]=4 3502 B9R0.34 CCCC(C)OC(C)CC 7a_100000764384_100000758301 [1,1,0,0,0,0|1,0,1]=4 3503 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [1,1,0,0,0,0|2,0,0]=4 3504 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [1,1,0,0,0,0|2,0,0]=4 3505 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [1,1,0,0,0,0|2,0,0]=4 3506 B9R0.46 C#CC(=O)COCCCC 1458a_100000211873_100011995733 [1,1,0,0,0,0|0,0,2]=4 3507 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [1,1,0,0,0,0|1,0,1]=4 3508 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [1,1,0,0,0,0|1,0,1]=4 3509 B9R0.46 C#CCCCNC(=O)CC 11a_100000718082_100000210414 [1,1,0,0,0,0|1,0,1]=4 3510 B9R0.46 C#CCCCNC(=O)CC 1626a_100000718082_100000210414 [1,1,0,0,0,0|1,0,1]=4 3511 B9R0.46 C#CCCCNC(=O)CC 240690a_100000718082_100000210414 [1,1,0,0,0,0|1,0,1]=4 3512 B9R0.46 C#CCCCNC(=O)CC 527a_100000718082_100000210414 [1,1,0,0,0,0|1,0,1]=4 3513 B9R0.46 C#CCCOCC(=O)CC 34a_100000725409_100000688953 [1,1,0,0,0,0|0,0,2]=4 3514 B9R0.46 C/C=C/COCC(=O)CC 34a_100000725409_100102629194 [1,1,0,0,0,0|0,0,2]=4 3515 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [1,1,0,0,0,0|0,0,2]=4 3516 B9R0.46 C=CC(=O)OCCNCC 2230a_100015525214_100009813456 [1,1,0,0,0,0|0,0,2]=4 3517 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [1,1,0,0,0,0|0,0,2]=4 3518 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [1,1,0,0,0,0|0,0,2]=4 3519 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [1,1,0,0,0,0|0,0,2]=4 3520 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [1,1,0,0,0,0|1,0,1]=4 3521 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [1,1,0,0,0,0|1,0,1]=4 3522 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [1,1,0,0,0,0|1,0,1]=4 3523 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [1,1,0,0,0,0|1,0,1]=4 3524 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [1,1,0,0,0,0|1,0,1]=4 3525 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [1,1,0,0,0,0|1,0,1]=4 3526 B9R0.46 C=CCCOCC(=O)CC 34a_100000725409_100000754431 [1,1,0,0,0,0|0,0,2]=4 3527 B9R0.46 CC#CCOCC(=O)CC 34a_100000725409_100000748600 [1,1,0,0,0,0|0,0,2]=4 3528 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [1,1,0,0,0,0|1,0,1]=4 3529 B9R0.46 CC=CCOCC(=O)CC 34a_100000725409_100000070051 [1,1,0,0,0,0|0,0,2]=4 3530 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [1,1,0,0,0,0|1,0,1]=4 3531 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [1,1,0,0,0,0|1,0,0]=3 3532 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,1,0,0,0,0|1,0,0]=3 3533 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,1,0,0,0,0|1,0,0]=3 3534 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [1,1,0,0,0,0|1,0,0]=3 3535 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [1,1,0,0,0,0|2,0,0]=4 3536 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [1,1,0,0,0,0|2,0,0]=4 3537 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [1,1,0,0,0,0|1,0,0]=3 3538 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [1,1,0,0,0,0|1,0,0]=3 3539 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [1,1,0,0,0,0|1,0,0]=3 3540 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [1,1,0,0,0,0|1,0,0]=3 3541 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [1,1,0,0,0,0|1,0,0]=3 3542 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [1,1,0,0,0,0|1,0,0]=3 3543 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [1,1,0,0,0,0|1,1,0]=4 3544 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [1,1,0,0,0,0|1,1,0]=4 3545 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [1,1,0,0,0,0|1,1,0]=4 3546 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [1,1,0,0,0,0|1,1,0]=4 3547 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [1,1,0,0,0,0|1,1,0]=4 3548 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [1,1,0,0,0,0|1,1,0]=4 3549 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [1,1,0,0,0,0|1,1,0]=4 3550 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [1,1,0,0,0,0|1,1,0]=4 3551 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [1,1,0,0,0,0|1,0,0]=3 3552 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [1,1,0,0,0,0|1,0,0]=3 3553 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [1,1,0,0,0,0|1,0,0]=3 3554 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [1,1,0,0,0,0|1,0,0]=3 3555 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [1,1,0,0,0,0|1,0,0]=3 3556 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [1,1,0,0,0,0|1,0,0]=3 3557 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [1,1,0,0,0,0|1,0,0]=3 3558 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [1,1,0,0,0,0|1,0,0]=3 3559 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [1,1,0,0,0,0|1,0,0]=3 3560 B9R0.46 CCC(=O)NCCNCF 34a_100132302217_100015361967 [1,1,0,0,0,0|2,0,0]=4 3561 B9R0.46 CCC(=O)NCCOCF 34a_200000158885_100015361967 [1,1,0,0,0,0|2,0,0]=4 3562 B9R0.46 CCC(=O)NCCOCF 7a_200000158885_100015361967 [1,1,0,0,0,0|2,0,0]=4 3563 B9R0.46 CCC(=O)NNCCOC 22a_100000741390_100000210414 [1,1,0,0,0,0|2,0,0]=4 3564 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [1,1,0,0,0,0|1,0,0]=3 3565 B9R0.46 CCC(C)OCCCCBr 34a_100011216708_100011215416 [1,1,0,0,0,0|1,0,1]=4 3566 B9R0.46 CCC(C)OCCCCCl 34a_100000210776_100011215416 [1,1,0,0,0,0|1,0,1]=4 3567 B9R0.46 CCC(C)OCCCCCl 7a_100000210776_100000758301 [1,1,0,0,0,0|1,0,1]=4 3568 B9R0.46 CCC(C)OCCCCF 34a_100011995726_100011215416 [1,1,0,0,0,0|1,0,1]=4 3569 B9R0.46 CCC(C)OCCCCF 7a_100000210228_100000729493 [1,1,0,0,0,0|1,0,1]=4 3570 B9R0.46 CCC(C)OCCCCF 7a_100011995726_100000758301 [1,1,0,0,0,0|1,0,1]=4 3571 B9R0.46 CCC(C)OCCCCI 34a_200012148704_100011215416 [1,1,0,0,0,0|1,0,1]=4 3572 B9R0.46 CCC(C)OCCCCN 34a_100000750430_100011215416 [1,1,0,0,0,0|1,0,1]=4 3573 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [1,1,0,0,0,0|1,0,1]=4 3574 B9R0.46 CCC(C)OCCCNC 34a_100000213112_100011215416 [1,1,0,0,0,0|1,0,1]=4 3575 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [1,1,0,0,0,0|1,0,1]=4 3576 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [1,1,0,0,0,0|1,0,1]=4 3577 B9R0.46 CCC(C)OCCCSC 34a_100000690336_100011215416 [1,1,0,0,0,0|1,0,1]=4 3578 B9R0.46 CCC(C)OCCCSC 7a_100000690336_100000758301 [1,1,0,0,0,0|1,0,1]=4 3579 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [1,1,0,0,0,0|1,0,1]=4 3580 B9R0.46 CCCC=NNC(=O)CC 4a_100000183195_100000185831 [1,1,0,0,0,0|1,0,1]=4 3581 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [1,1,0,0,0,0|1,0,0]=3 3582 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [1,1,0,0,0,0|2,0,0]=4 3583 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [1,1,0,0,0,0|2,0,0]=4 3584 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [1,1,0,0,0,0|2,0,0]=4 3585 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [1,1,0,0,0,0|2,0,0]=4 3586 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [1,1,0,0,0,0|1,0,0]=3 3587 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [1,1,0,0,0,0|1,0,0]=3 3588 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [1,1,0,0,0,0|2,0,0]=4 3589 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [1,1,0,0,0,0|2,0,0]=4 3590 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [1,1,0,0,0,0|2,0,0]=4 3591 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [1,1,0,0,0,0|2,0,0]=4 3592 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [1,1,0,0,0,0|2,0,0]=4 3593 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [1,1,0,0,0,0|2,0,0]=4 3594 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [1,1,0,0,0,0|1,0,0]=3 3595 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [1,1,0,0,0,0|1,0,0]=3 3596 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [1,1,0,0,0,0|1,0,0]=3 3597 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [1,1,0,0,0,0|1,0,0]=3 3598 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [1,1,0,0,0,0|2,0,0]=4 3599 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [1,1,0,0,0,0|2,0,0]=4 3600 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [1,1,0,0,0,0|2,0,0]=4 3601 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [1,1,0,0,0,0|2,0,0]=4 3602 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [1,1,0,0,0,0|2,0,0]=4 3603 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [1,1,0,0,0,0|2,0,0]=4 3604 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [1,1,0,0,0,0|2,0,0]=4 3605 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [1,1,0,0,0,0|2,0,0]=4 3606 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [1,1,0,0,0,0|1,0,1]=4 3607 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [1,1,0,0,0,0|1,0,1]=4 3608 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [1,1,0,0,0,0|1,0,1]=4 3609 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [1,1,0,0,0,0|1,0,0]=3 3610 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [1,1,0,0,0,0|2,0,0]=4 3611 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [1,1,0,0,0,0|2,0,0]=4 3612 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [1,1,0,0,0,0|2,0,0]=4 3613 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [1,1,0,0,0,0|2,0,0]=4 3614 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [1,1,0,0,0,0|2,0,0]=4 3615 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [1,1,0,0,0,0|1,0,0]=3 3616 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [1,1,0,0,0,0|2,0,0]=4 3617 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [1,1,0,0,0,0|2,0,0]=4 3618 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [1,1,0,0,0,0|2,0,0]=4 3619 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [1,1,0,0,0,0|2,0,0]=4 3620 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [1,1,0,0,0,0|0,0,0]=2 3621 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [1,1,0,0,0,0|0,0,0]=2 3622 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [1,1,0,0,0,0|0,0,0]=2 3623 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [1,1,0,0,0,0|0,0,0]=2 3624 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [1,1,0,0,0,0|1,0,0]=3 3625 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [1,1,0,0,0,0|1,0,0]=3 3626 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [1,1,0,0,0,0|1,0,0]=3 3627 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [1,1,0,0,0,0|1,0,0]=3 3628 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [1,1,0,0,0,0|1,0,0]=3 3629 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [1,1,0,0,0,0|1,0,0]=3 3630 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [1,1,0,0,0,0|1,0,0]=3 3631 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [1,1,0,0,0,0|1,0,0]=3 3632 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [1,1,0,0,0,0|1,0,0]=3 3633 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [1,1,0,0,0,0|1,0,0]=3 3634 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [1,1,0,0,0,0|1,0,0]=3 3635 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [1,1,0,0,0,0|1,0,1]=4 3636 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [1,1,0,0,0,0|1,0,1]=4 3637 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [1,1,0,0,0,0|0,0,2]=4 3638 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [1,1,0,0,0,0|0,0,2]=4 3639 B9R0.46 CCCCOCN(C)CC 2230a_100000225621_100011995733 [1,1,0,0,0,0|2,0,0]=4 3640 B9R0.46 CCCCOCN(C)CC 269982a_100000225621_100011995733 [1,1,0,0,0,0|2,0,0]=4 3641 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [1,1,0,0,0,0|1,0,1]=4 3642 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [1,1,0,0,0,0|1,0,1]=4 3643 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [1,1,0,0,0,0|1,0,1]=4 3644 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [1,1,0,0,0,0|0,1,0]=3 3645 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [1,1,0,0,0,0|0,1,0]=3 3646 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [1,1,0,0,0,0|0,1,0]=3 3647 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [1,1,0,0,0,0|1,1,0]=4 3648 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [1,1,0,0,0,0|1,1,0]=4 3649 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [1,1,0,0,0,0|1,1,0]=4 3650 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [1,1,0,0,0,0|1,1,0]=4 3651 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [1,1,0,0,0,0|1,1,0]=4 3652 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [1,1,0,0,0,0|1,1,0]=4 3653 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [1,1,0,0,0,0|1,1,0]=4 3654 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [1,1,0,0,0,0|1,1,0]=4 3655 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [1,1,0,0,0,0|1,1,0]=4 3656 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [1,1,0,0,0,0|2,0,0]=4 3657 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [1,1,0,0,0,0|2,0,0]=4 3658 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [1,1,0,0,0,0|1,0,0]=3 3659 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [1,1,0,0,0,0|2,0,0]=4 3660 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [1,1,0,0,0,0|2,0,0]=4 3661 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [1,1,0,0,0,0|2,0,0]=4 3662 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [1,1,0,0,0,0|2,0,0]=4 3663 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [1,1,0,0,0,0|2,0,0]=4 3664 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [1,1,0,0,0,0|2,0,0]=4 3665 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [1,1,0,0,0,0|2,0,0]=4 3666 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [1,1,0,0,0,0|2,0,0]=4 3667 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [1,1,0,0,0,0|1,0,0]=3 3668 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [1,1,0,0,0,0|2,0,0]=4 3669 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [1,1,0,0,0,0|2,0,0]=4 3670 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [1,1,0,0,0,0|2,0,0]=4 3671 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [1,1,0,0,0,0|2,0,0]=4 3672 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [1,1,0,0,0,0|1,0,0]=3 3673 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [1,1,0,0,0,0|2,0,0]=4 3674 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [1,1,0,0,0,0|1,0,0]=3 3675 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [1,1,0,0,0,0|2,0,0]=4 3676 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [1,1,0,0,0,0|2,0,0]=4 3677 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [1,1,0,0,0,0|2,0,0]=4 3678 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [1,1,0,0,0,0|1,0,0]=3 3679 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [1,1,0,0,0,0|1,0,0]=3 3680 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [1,1,0,0,0,0|1,0,0]=3 3681 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [1,1,0,0,0,0|1,0,0]=3 3682 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [1,1,0,0,0,0|1,0,0]=3 3683 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [1,1,0,0,0,0|1,0,0]=3 3684 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [1,1,0,0,0,0|2,0,0]=4 3685 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [1,1,0,0,0,0|2,0,0]=4 3686 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [1,1,0,0,0,0|2,0,0]=4 3687 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [1,1,0,0,0,0|2,0,0]=4 3688 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [1,1,0,0,0,0|2,0,0]=4 3689 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [1,1,0,0,0,0|2,0,0]=4 3690 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [1,1,0,0,0,0|2,0,0]=4 3691 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [1,1,0,0,0,0|2,0,0]=4 3692 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [1,1,0,0,0,0|2,0,0]=4 3693 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [1,1,0,0,0,0|0,0,0]=2 3694 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [1,1,0,0,0,0|1,0,0]=3 3695 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [1,1,0,0,0,0|1,0,0]=3 3696 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [1,1,0,0,0,0|1,0,1]=4 3697 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [1,1,0,0,0,0|1,0,1]=4 3698 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [1,1,0,0,0,0|1,0,1]=4 3699 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [1,1,0,0,0,0|1,1,0]=4 3700 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [1,1,0,0,0,0|1,1,0]=4 3701 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [1,1,0,0,0,0|2,0,0]=4 3702 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [1,1,0,0,0,0|2,0,0]=4 3703 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [1,1,0,0,0,0|2,0,0]=4 3704 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [1,1,0,0,0,0|2,0,0]=4 3705 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [1,1,0,0,0,0|1,0,0]=3 3706 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [1,1,0,0,0,0|1,0,0]=3 3707 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [1,1,0,0,0,0|1,0,0]=3 3708 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [1,1,0,0,0,0|1,0,0]=3 3709 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [1,1,0,0,0,0|2,0,0]=4 3710 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [1,1,0,0,0,0|2,0,0]=4 3711 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [1,1,0,0,0,0|2,0,0]=4 3712 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [1,1,0,0,0,0|2,0,0]=4 3713 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [1,1,0,0,0,0|2,0,0]=4 3714 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [1,1,0,0,0,0|2,0,0]=4 3715 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [1,1,0,0,0,0|2,0,0]=4 3716 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [1,1,0,0,0,0|2,0,0]=4 3717 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [1,1,0,0,0,0|1,0,0]=3 3718 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [1,1,0,0,0,0|1,0,0]=3 3719 B9R0.46 CCSCCOC(C)CC 34a_100000212035_100011215416 [1,1,0,0,0,0|1,0,1]=4 3720 B9R0.46 CCSCCOC(C)CC 7a_100000210228_100000757381 [1,1,0,0,0,0|1,0,1]=4 3721 B9R0.46 CCSCCOC(C)CC 7a_100000212035_100000758301 [1,1,0,0,0,0|1,0,1]=4 3722 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [1,1,0,0,0,0|2,0,0]=4 3723 B9R0.46 CNC(=O)COCCCBr 34a_100011217188_100000183359 [1,1,0,0,0,0|2,0,0]=4 3724 B9R0.46 CNC(=O)COCCCCl 34a_100000230001_100000183359 [1,1,0,0,0,0|2,0,0]=4 3725 B9R0.46 CNC(=O)COCCCF 34a_100000750040_100011934791 [1,1,0,0,0,0|2,0,0]=4 3726 B9R0.46 CNC(=O)COCCCF 34a_100000759539_100000183359 [1,1,0,0,0,0|2,0,0]=4 3727 B9R0.46 CNC(=O)COCCCN 34a_100000182051_100000183359 [1,1,0,0,0,0|2,0,0]=4 3728 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [1,1,0,0,0,0|2,0,0]=4 3729 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [1,1,0,0,0,0|2,0,0]=4 3730 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [1,1,0,0,0,0|2,0,0]=4 3731 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [1,1,0,0,0,0|2,0,0]=4 3732 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [1,1,0,0,0,0|2,0,0]=4 3733 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [1,1,0,0,0,0|2,0,0]=4 3734 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [1,1,0,0,0,0|2,0,0]=4 3735 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [1,1,0,0,0,0|2,0,0]=4 3736 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [1,1,0,0,0,0|2,0,0]=4 3737 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [1,1,0,0,0,0|2,0,0]=4 3738 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [1,1,0,0,0,0|2,0,0]=4 3739 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [1,1,0,0,0,0|2,0,0]=4 3740 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [1,1,0,0,0,0|2,0,0]=4 3741 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [1,1,0,0,0,0|2,0,0]=4 3742 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [1,1,0,0,0,0|2,0,0]=4 3743 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [1,1,0,0,0,0|2,0,0]=4 3744 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [1,1,0,0,0,0|2,0,0]=4 3745 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [1,1,0,0,0,0|2,0,0]=4 3746 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [1,1,0,0,0,0|2,0,0]=4 3747 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [1,1,0,0,0,0|2,0,0]=4 3748 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [1,1,0,0,0,0|2,0,0]=4 3749 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [1,1,0,0,0,0|2,0,0]=4 3750 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [1,1,0,0,0,0|2,0,0]=4 3751 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [1,1,0,0,0,0|2,0,0]=4 3752 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [1,1,0,0,0,0|2,0,0]=4 3753 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [1,1,0,0,0,0|2,0,0]=4 3754 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [1,1,0,0,0,0|2,0,0]=4 3755 B9R0.46 CNC(=O)OCCSCF 62a_100015361967_200011997002 [1,1,0,0,0,0|2,0,0]=4 3756 B9R0.46 CNC(=O)OCCSCF 62a_200011997002_100015361967 [1,1,0,0,0,0|2,0,0]=4 3757 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [1,1,0,0,0,0|2,0,0]=4 3758 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [1,1,0,0,0,0|2,0,0]=4 3759 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [1,1,0,0,0,0|2,0,0]=4 3760 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [1,1,0,0,0,0|2,0,0]=4 3761 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [1,1,0,0,0,0|2,0,0]=4 3762 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [1,1,0,0,0,0|2,0,0]=4 3763 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [1,1,0,0,0,0|2,0,0]=4 3764 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [1,1,0,0,0,0|2,0,0]=4 3765 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [1,1,0,0,0,0|2,0,0]=4 3766 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [1,1,0,0,0,0|2,0,0]=4 3767 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [1,1,0,0,0,0|2,0,0]=4 3768 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [1,1,0,0,0,0|2,0,0]=4 3769 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [1,1,0,0,0,0|2,0,0]=4 3770 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [1,1,0,0,0,0|2,0,0]=4 3771 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [1,1,0,0,0,0|2,0,0]=4 3772 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [1,1,0,0,0,0|2,0,0]=4 3773 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [1,1,0,0,0,0|2,0,0]=4 3774 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [1,1,0,0,0,0|2,0,0]=4 3775 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [1,1,0,0,0,0|2,0,0]=4 3776 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [1,1,0,0,0,0|2,0,0]=4 3777 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [1,1,0,0,0,0|2,0,0]=4 3778 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [1,1,0,0,0,0|2,0,0]=4 3779 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [1,1,0,0,0,0|2,0,0]=4 3780 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [1,1,0,0,0,0|2,0,0]=4 3781 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [1,1,0,0,0,0|2,0,0]=4 3782 B9R0.46 COC(=O)OCSCSC 62a_100011218213_100000139417 [1,1,0,0,0,0|2,0,0]=4 3783 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [1,1,0,0,0,0|2,0,0]=4 3784 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [1,1,0,0,0,0|2,0,0]=4 3785 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [1,1,0,0,0,0|2,0,0]=4 3786 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [1,1,0,0,0,0|2,0,0]=4 3787 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [1,1,0,0,0,0|2,0,0]=4 3788 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [1,1,0,0,0,0|2,0,0]=4 3789 B9R0.46 COCCOCC(=O)CF 1458a_100000211095_100015361967 [1,1,0,0,0,0|2,0,0]=4 3790 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [1,1,0,0,0,0|2,0,0]=4 3791 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [1,1,0,0,0,0|2,0,0]=4 3792 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [1,1,0,0,0,0|2,0,0]=4 3793 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [1,1,0,0,0,0|2,0,0]=4 3794 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [1,1,0,0,0,0|2,0,0]=4 3795 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [1,1,0,0,0,0|2,0,0]=4 3796 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [1,1,0,0,0,0|2,0,0]=4 3797 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [1,1,0,0,0,0|2,0,0]=4 3798 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [1,1,0,0,0,0|2,0,0]=4 3799 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [1,1,0,0,0,0|2,0,0]=4 3800 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [1,1,0,0,0,0|1,0,1]=4 3801 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [1,1,0,0,0,0|1,0,1]=4 3802 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [1,1,0,0,0,0|1,0,1]=4 3803 B9R0.47 C=C(C)C(=O)OCCNC 2230a_106832991635_100009816335 [1,1,0,0,0,0|1,0,1]=4 3804 B9R0.47 C=C(C)C(=O)OCCNC 34a_100102657272_100009816335 [1,1,0,0,0,0|1,0,1]=4 3805 B9R0.47 C=C(C)C(=O)OCCNC 7a_106832991635_100009816335 [1,1,0,0,0,0|1,0,1]=4 3806 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [1,1,0,0,0,0|1,0,1]=4 3807 B9R0.47 C=C(C)C(=O)OCCSC 62a_100009816335_200000210301 [1,1,0,0,0,0|1,0,1]=4 3808 B9R0.47 C=C(C)C(=O)OCCSC 62a_200000210301_100009816335 [1,1,0,0,0,0|1,0,1]=4 3809 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_100009816335_200025704644 [1,1,0,0,0,0|1,0,1]=4 3810 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_200025704644_100009816335 [1,1,0,0,0,0|1,0,1]=4 3811 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [1,1,0,0,0,0|2,0,0]=4 3812 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [1,1,0,0,0,0|2,0,0]=4 3813 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [1,1,0,0,0,0|2,0,0]=4 3814 B9R0.47 CC(C)C(=O)NCCCF 11a_100015189416_100000210198 [1,1,0,0,0,0|2,0,0]=4 3815 B9R0.47 CC(C)C(=O)NCCCF 1626a_100015189416_100000210198 [1,1,0,0,0,0|2,0,0]=4 3816 B9R0.47 CC(C)C(=O)NCCCF 240690a_100015189416_100000210198 [1,1,0,0,0,0|2,0,0]=4 3817 B9R0.47 CC(C)C(=O)NCCCF 527a_100015189416_100000210198 [1,1,0,0,0,0|2,0,0]=4 3818 B9R0.47 CC(C)C(=O)NCCCO 240690a_100000182051_100000210198 [1,1,0,0,0,0|2,0,0]=4 3819 B9R0.47 CC(C)C(=O)NCCCO 527a_100000182051_100000210198 [1,1,0,0,0,0|2,0,0]=4 3820 B9R0.47 CC(C)C(=O)NCCN[13CH3] 2230a_100000752568_200025704644 [1,1,0,0,0,0|2,0,0]=4 3821 B9R0.47 CC(C)C(=O)NCCN[13CH3] 34a_100000752568_200025704644 [1,1,0,0,0,0|2,0,0]=4 3822 B9R0.47 CC(C)C(=O)OCSCF 62a_100000139345_100015361967 [1,1,0,0,0,0|2,0,0]=4 3823 B9R0.47 CC(C)C(=O)OCSCF 62a_100015361967_100000139345 [1,1,0,0,0,0|2,0,0]=4 3824 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [1,1,0,0,0,0|2,0,0]=4 3825 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [1,1,0,0,0,0|2,0,0]=4 3826 B9R0.47 CC(F)C(=O)NCCCF 11a_100015189416_100000062450 [1,1,0,0,0,0|2,0,0]=4 3827 B9R0.47 CC(F)C(=O)NCCCF 1626a_100015189416_100000062450 [1,1,0,0,0,0|2,0,0]=4 3828 B9R0.47 CC(F)C(=O)NCCCF 240690a_100015189416_100000062450 [1,1,0,0,0,0|2,0,0]=4 3829 B9R0.47 CC(F)C(=O)NCCCF 527a_100015189416_100000062450 [1,1,0,0,0,0|2,0,0]=4 3830 B9R0.47 CC(F)C(=O)NCCCO 240690a_100000182051_100000062450 [1,1,0,0,0,0|2,0,0]=4 3831 B9R0.47 CC(F)C(=O)NCCCO 527a_100000182051_100000062450 [1,1,0,0,0,0|2,0,0]=4 3832 B9R0.47 CCCC#CC(=O)C(C)C 1458a_200011218047_100000210206 [1,1,0,0,0,0|1,0,1]=4 3833 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [1,1,0,0,0,0|1,0,1]=4 3834 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [1,1,0,0,0,0|1,0,0]=3 3835 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [1,1,0,0,0,0|1,0,0]=3 3836 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [1,1,0,0,0,0|1,0,0]=3 3837 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [1,1,0,0,0,0|2,0,0]=4 3838 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [1,1,0,0,0,0|2,0,0]=4 3839 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [1,1,0,0,0,0|2,0,0]=4 3840 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [1,1,0,0,0,0|2,0,0]=4 3841 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [1,1,0,0,0,0|2,0,0]=4 3842 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [1,1,0,0,0,0|1,0,0]=3 3843 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [1,1,0,0,0,0|1,0,0]=3 3844 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [1,1,0,0,0,0|1,0,0]=3 3845 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [1,1,0,0,0,0|1,0,0]=3 3846 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [1,1,0,0,0,0|1,0,0]=3 3847 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [1,1,0,0,0,0|1,0,0]=3 3848 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [1,1,0,0,0,0|1,0,0]=3 3849 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [1,1,0,0,0,0|1,0,0]=3 3850 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [1,1,0,0,0,0|1,0,0]=3 3851 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [1,1,0,0,0,0|1,0,0]=3 3852 B9R0.47 CCCCNC(=O)C(F)F 11a_100000102301_100000210393 [1,1,0,0,0,0|2,0,0]=4 3853 B9R0.47 CCCCNC(=O)C(F)F 1626a_100000102301_100000210393 [1,1,0,0,0,0|2,0,0]=4 3854 B9R0.47 CCCCNC(=O)C(F)F 240690a_100000102301_100000210393 [1,1,0,0,0,0|2,0,0]=4 3855 B9R0.47 CCCCNC(=O)C(F)F 527a_100000102301_100000210393 [1,1,0,0,0,0|2,0,0]=4 3856 B9R0.47 CCCCNC(=O)C(O)O 240690a_100000102301_100000233687 [1,1,0,0,0,0|2,0,0]=4 3857 B9R0.47 CCCCNC(=O)N(C)C 2708a_100000102301_100102631434 [1,1,0,0,0,0|2,0,0]=4 3858 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [1,1,0,0,0,0|1,0,0]=3 3859 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [1,1,0,0,0,0|1,0,0]=3 3860 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [1,1,0,0,0,0|1,0,0]=3 3861 B9R0.47 CCCCOC(C)C(C)C 7a_100000748068_100000210211 [1,1,0,0,0,0|1,0,1]=4 3862 B9R0.47 CCCNNC(=O)C(C)C 22a_100000740057_100000210198 [1,1,0,0,0,0|2,0,0]=4 3863 B9R0.47 CCCNNC(=O)C(C)F 22a_100000740057_100000062450 [1,1,0,0,0,0|2,0,0]=4 3864 B9R0.47 CCCNNC(=O)[C@@H](C)O 22a_100000740057_100000717761 [1,1,0,0,0,0|2,0,0]=4 3865 B9R0.47 CCCNNC(=O)[C@H](C)O 22a_100000740057_217856618621 [1,1,0,0,0,0|2,0,0]=4 3866 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [1,1,0,0,0,0|2,0,0]=4 3867 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [1,1,0,0,0,0|2,0,0]=4 3868 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [1,1,0,0,0,0|2,0,0]=4 3869 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [1,1,0,0,0,0|2,0,0]=4 3870 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [1,1,0,0,0,0|2,0,0]=4 3871 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [1,1,0,0,0,0|2,0,0]=4 3872 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [1,1,0,0,0,0|2,0,0]=4 3873 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [1,1,0,0,0,0|2,0,0]=4 3874 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [1,1,0,0,0,0|2,0,0]=4 3875 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [1,1,0,0,0,0|2,0,0]=4 3876 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [1,1,0,0,0,0|2,0,0]=4 3877 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [1,1,0,0,0,0|2,0,0]=4 3878 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [1,1,0,0,0,0|2,0,0]=4 3879 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [1,1,0,0,0,0|2,0,0]=4 3880 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [1,1,0,0,0,0|2,0,0]=4 3881 B9R0.47 CCSCOC(=O)C(C)C 62a_100000139345_100000210202 [1,1,0,0,0,0|1,0,0]=3 3882 B9R0.47 CCSCOC(=O)C(C)C 62a_100000210202_100000139345 [1,1,0,0,0,0|1,0,0]=3 3883 B9R0.47 CNCCNC(=O)C(C)C 2230a_100000752568_200000210301 [1,1,0,0,0,0|2,0,0]=4 3884 B9R0.47 CNCCNC(=O)C(C)C 34a_100000752568_200000210301 [1,1,0,0,0,0|2,0,0]=4 3885 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [1,1,0,0,0,0|2,0,0]=4 3886 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [1,1,0,0,0,0|2,0,0]=4 3887 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [1,1,0,0,0,0|2,0,0]=4 3888 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [1,1,0,0,0,0|2,0,0]=4 3889 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [1,1,0,0,0,0|2,0,0]=4 3890 B9R0.47 COCCNC(=O)C(C)C 1626a_100000209980_100000210198 [1,1,0,0,0,0|2,0,0]=4 3891 B9R0.47 COCCNC(=O)C(C)C 240690a_100000209980_100000210198 [1,1,0,0,0,0|2,0,0]=4 3892 B9R0.47 COCCNC(=O)C(C)C 527a_100000209980_100000210198 [1,1,0,0,0,0|2,0,0]=4 3893 B9R0.47 COCCNC(=O)C(C)F 1626a_100000209980_100000062450 [1,1,0,0,0,0|2,0,0]=4 3894 B9R0.47 COCCNC(=O)C(C)F 240690a_100000209980_100000062450 [1,1,0,0,0,0|2,0,0]=4 3895 B9R0.47 COCCNC(=O)C(C)F 527a_100000209980_100000062450 [1,1,0,0,0,0|2,0,0]=4 3896 B9R0.47 COCCNC(=O)[C@@H](C)O 240690a_100000209980_100000717761 [1,1,0,0,0,0|2,0,0]=4 3897 B9R0.47 COCCNC(=O)[C@H](C)O 1626a_100000209980_217856618621 [1,1,0,0,0,0|2,0,0]=4 3898 B9R0.47 COCCNC(=O)[C@H](C)O 240690a_100000209980_217856618621 [1,1,0,0,0,0|2,0,0]=4 3899 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [1,1,0,0,0,0|2,0,0]=4 3900 B9R0.47 CSCCNC(=O)C(C)C 11a_100020590264_100000210198 [1,1,0,0,0,0|2,0,0]=4 3901 B9R0.47 CSCCNC(=O)C(C)C 1626a_100020590264_100000210198 [1,1,0,0,0,0|2,0,0]=4 3902 B9R0.47 CSCCNC(=O)C(C)C 240690a_100020590264_100000210198 [1,1,0,0,0,0|2,0,0]=4 3903 B9R0.47 CSCCNC(=O)C(C)C 527a_100020590264_100000210198 [1,1,0,0,0,0|2,0,0]=4 3904 B9R0.47 CSCCNC(=O)C(C)F 11a_100020590264_100000062450 [1,1,0,0,0,0|2,0,0]=4 3905 B9R0.47 CSCCNC(=O)C(C)F 1626a_100020590264_100000062450 [1,1,0,0,0,0|2,0,0]=4 3906 B9R0.47 CSCCNC(=O)C(C)F 240690a_100020590264_100000062450 [1,1,0,0,0,0|2,0,0]=4 3907 B9R0.47 CSCCNC(=O)C(C)F 527a_100020590264_100000062450 [1,1,0,0,0,0|2,0,0]=4 3908 B9R0.47 CSCCNC(=O)[C@@H](C)O 240690a_100020590264_100000717761 [1,1,0,0,0,0|2,0,0]=4 3909 B9R0.47 CSCCNC(=O)[C@H](C)O 1626a_100020590264_217856618621 [1,1,0,0,0,0|2,0,0]=4 3910 B9R0.47 CSCCNC(=O)[C@H](C)O 240690a_100020590264_217856618621 [1,1,0,0,0,0|2,0,0]=4 3911 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [1,1,0,0,0,0|2,0,0]=4 3912 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [1,1,0,0,0,0|2,0,0]=4 3913 B9R0.47 C[C@@H](O)C(=O)NCCCF 240690a_100015189416_100000717761 [1,1,0,0,0,0|2,0,0]=4 3914 B9R0.47 C[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000717761 [1,1,0,0,0,0|2,0,0]=4 3915 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [1,1,0,0,0,0|2,0,0]=4 3916 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [1,1,0,0,0,0|2,0,0]=4 3917 B9R0.47 C[C@H](O)C(=O)NCCCF 1626a_100015189416_217856618621 [1,1,0,0,0,0|2,0,0]=4 3918 B9R0.47 C[C@H](O)C(=O)NCCCF 240690a_100015189416_217856618621 [1,1,0,0,0,0|2,0,0]=4 3919 B9R0.47 C[C@H](O)C(=O)NCCCO 240690a_100000182051_217856618621 [1,1,0,0,0,0|2,0,0]=4 3920 B9R0.50 C#CC(CC)OCCCC 34a_100000758843_100000210210 [1,1,0,0,0,0|1,0,1]=4 3921 B9R0.50 C#CC(CC)OCCCC 7a_100000758843_100000210211 [1,1,0,0,0,0|1,0,1]=4 3922 B9R0.50 C=CC(CC)OCCCC 34a_100000766422_100000210210 [1,1,0,0,0,0|1,0,1]=4 3923 B9R0.50 C=CC(CC)OCCCC 7a_100000766422_100000210211 [1,1,0,0,0,0|1,0,1]=4 3924 B9R0.50 CCCCOC(CC)CC 7a_100000210227_100000210505 [1,1,0,0,0,0|1,0,1]=4 3925 B9R0.50 CCCCOC(CC)CC 7a_100000688536_100000210211 [1,1,0,0,0,0|1,0,1]=4 3926 B9R0.2 C#CCCOCCC(C)C 34a_100000210254_100000688953 [1,1,0,0,0,0|0,0,2]=4 3927 B9R0.2 C#CCCOCCC(C)C 34a_100011215631_100000210312 [1,1,0,0,0,0|0,0,2]=4 3928 B9R0.2 C#CCCOCCC(C)C 7a_100000210254_100000688953 [1,1,0,0,0,0|0,0,2]=4 3929 B9R0.2 C/C=C/CCOCC(C)C 34a_100016278192_100000210624 [1,1,0,0,0,0|1,0,1]=4 3930 B9R0.2 C/C=C/COCCC(C)Br 34a_100009893172_100102629194 [1,1,0,0,0,0|1,0,1]=4 3931 B9R0.2 C/C=C/COCCC(C)C 34a_100000210254_100102629194 [1,1,0,0,0,0|0,0,1]=3 3932 B9R0.2 C/C=C/COCCC(C)C 34a_100016270725_100000210312 [1,1,0,0,0,0|0,0,1]=3 3933 B9R0.2 C/C=C/COCCC(C)C 7a_100000210254_100102629194 [1,1,0,0,0,0|0,0,1]=3 3934 B9R0.2 C/C=C/COCCC(C)O 34a_100016270725_100012276601 [1,1,0,0,0,0|1,0,1]=4 3935 B9R0.2 C/C=C/COCC[C@@H](C)N 34a_100000706166_100102629194 [1,1,0,0,0,0|1,0,1]=4 3936 B9R0.2 C/C=C/COCOC(C)C 34a_100016270725_100000709892 [1,1,0,0,0,0|1,0,1]=4 3937 B9R0.2 C/C=C/CSCCC(C)C 62a_100000210312_100102629194 [1,1,0,0,0,0|0,1,1]=4 3938 B9R0.2 C/C=C/CSCCC(C)C 62a_100102629194_100000210312 [1,1,0,0,0,0|0,1,1]=4 3939 B9R0.2 C=CCCOCCC(C)C 34a_100000210254_100000754431 [1,1,0,0,0,0|0,0,2]=4 3940 B9R0.2 C=CCCOCCC(C)C 34a_100011205117_100000210312 [1,1,0,0,0,0|0,0,2]=4 3941 B9R0.2 C=CCCOCCC(C)C 7a_100000210254_100000754431 [1,1,0,0,0,0|0,0,2]=4 3942 B9R0.2 CC#CCOCCC(C)C 34a_100000210254_100000748600 [1,1,0,0,0,0|0,0,2]=4 3943 B9R0.2 CC#CCOCCC(C)C 34a_100000761923_100000210312 [1,1,0,0,0,0|0,0,2]=4 3944 B9R0.2 CC#CCOCCC(C)C 7a_100000210254_100000748600 [1,1,0,0,0,0|0,0,2]=4 3945 B9R0.2 CC(Br)CCOCCCF 34a_100009893172_100011934791 [1,1,0,0,0,0|1,0,1]=4 3946 B9R0.2 CC(Br)CCOCCCO 34a_100009893172_100000230001 [1,1,0,0,0,0|1,0,1]=4 3947 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [1,1,0,0,0,0|1,0,1]=4 3948 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [1,1,0,0,0,0|1,0,1]=4 3949 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [1,1,0,0,0,0|1,0,1]=4 3950 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [1,1,0,0,0,0|1,0,1]=4 3951 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [1,1,0,0,0,0|1,0,1]=4 3952 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [1,1,0,0,0,0|1,0,1]=4 3953 B9R0.2 CC(C)CCCNCCF 2230a_200000737386_100011217306 [1,1,0,0,0,0|2,0,0]=4 3954 B9R0.2 CC(C)CCCNCCF 34a_100000724931_100011214892 [1,1,0,0,0,0|2,0,0]=4 3955 B9R0.2 CC(C)CCCNCCF 34a_200000737386_100011217306 [1,1,0,0,0,0|2,0,0]=4 3956 B9R0.2 CC(C)CCCNCCO 2230a_100016997473_100011214892 [1,1,0,0,0,0|2,0,0]=4 3957 B9R0.2 CC(C)CCCNCCO 2230a_200000737386_100000211926 [1,1,0,0,0,0|2,0,0]=4 3958 B9R0.2 CC(C)CCCNCCO 34a_100016990907_100011214892 [1,1,0,0,0,0|2,0,0]=4 3959 B9R0.2 CC(C)CCCNCCO 34a_200000737386_100000211926 [1,1,0,0,0,0|2,0,0]=4 3960 B9R0.2 CC(C)CCCOCCBr 34a_100000211926_100011214892 [1,1,0,0,0,0|1,0,1]=4 3961 B9R0.2 CC(C)CCCOCCF 34a_100000210774_100011217306 [1,1,0,0,0,0|1,0,1]=4 3962 B9R0.2 CC(C)CCCOCCF 7a_100000210774_100011217306 [1,1,0,0,0,0|1,0,1]=4 3963 B9R0.2 CC(C)CCCOCCN 34a_100000210304_100011214892 [1,1,0,0,0,0|1,0,1]=4 3964 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [1,1,0,0,0,0|1,0,1]=4 3965 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [1,1,0,0,0,0|1,0,1]=4 3966 B9R0.2 CC(C)CCCSCCF 62a_100011214892_100011217306 [1,1,0,0,0,0|2,0,0]=4 3967 B9R0.2 CC(C)CCCSCCF 62a_100011217306_100011214892 [1,1,0,0,0,0|2,0,0]=4 3968 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [1,1,0,0,0,0|2,0,0]=4 3969 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [1,1,0,0,0,0|2,0,0]=4 3970 B9R0.2 CC(C)CCNCCCF 2230a_100015189416_100000210312 [1,1,0,0,0,0|1,0,1]=4 3971 B9R0.2 CC(C)CCNCCCF 269862a_100015189416_100000185833 [1,1,0,0,0,0|1,0,1]=4 3972 B9R0.2 CC(C)CCNCCCF 34a_100015189416_100000210312 [1,1,0,0,0,0|1,0,1]=4 3973 B9R0.2 CC(C)CCNCCCO 269862a_100000182051_100000185833 [1,1,0,0,0,0|1,0,1]=4 3974 B9R0.2 CC(C)CCOCCC#N 7a_100000210254_100000184422 [1,1,0,0,0,0|0,0,2]=4 3975 B9R0.2 CC(C)CCOCCCBr 34a_100011217188_100000210312 [1,1,0,0,0,0|0,0,1]=3 3976 B9R0.2 CC(C)CCOCCCCl 34a_100000230001_100000210312 [1,1,0,0,0,0|0,0,1]=3 3977 B9R0.2 CC(C)CCOCCCF 34a_100000210254_100011934791 [1,1,0,0,0,0|0,0,1]=3 3978 B9R0.2 CC(C)CCOCCCF 34a_100000759539_100000210312 [1,1,0,0,0,0|0,0,1]=3 3979 B9R0.2 CC(C)CCOCCCF 7a_100000210254_100011934791 [1,1,0,0,0,0|0,0,1]=3 3980 B9R0.2 CC(C)CCOCCCN 34a_100000182051_100000210312 [1,1,0,0,0,0|0,0,1]=3 3981 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [1,1,0,0,0,0|0,0,1]=3 3982 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [1,1,0,0,0,0|0,0,1]=3 3983 B9R0.2 CC(C)CCOCCON 34a_100000700252_100000210312 [1,1,0,0,0,0|1,0,1]=4 3984 B9R0.2 CC(C)CCSCCCF 62a_100000210312_100011934791 [1,1,0,0,0,0|0,1,1]=4 3985 B9R0.2 CC(C)CCSCCCF 62a_100011934791_100000210312 [1,1,0,0,0,0|0,1,1]=4 3986 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [1,1,0,0,0,0|0,1,1]=4 3987 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [1,1,0,0,0,0|0,1,1]=4 3988 B9R0.2 CC(C)NCCOCCF 34a_100000224655_100011217306 [1,1,0,0,0,0|1,0,1]=4 3989 B9R0.2 CC(C)NCCOCCO 2230a_100000211614_100000210206 [1,1,0,0,0,0|1,0,1]=4 3990 B9R0.2 CC(C)NCCOCCO 2230a_100138425928_100011215305 [1,1,0,0,0,0|1,0,1]=4 3991 B9R0.2 CC(C)NCCOCCO 34a_100000211614_100000210206 [1,1,0,0,0,0|1,0,1]=4 3992 B9R0.2 CC(C)NCCOCCO 34a_100000224655_100000211926 [1,1,0,0,0,0|1,0,1]=4 3993 B9R0.2 CC(C)NCCOCCO 34a_100138425928_100000692535 [1,1,0,0,0,0|1,0,1]=4 3994 B9R0.2 CC(C)OCCOCCBr 34a_100000211926_100000211751 [1,1,0,0,0,0|1,0,1]=4 3995 B9R0.2 CC(C)OCCOCCBr 34a_100000692535_100000210206 [1,1,0,0,0,0|1,0,1]=4 3996 B9R0.2 CC(C)OCCOCCBr 7a_100000692535_100000210206 [1,1,0,0,0,0|1,0,1]=4 3997 B9R0.2 CC(C)OCCOCCCl 34a_100011215305_100000210206 [1,1,0,0,0,0|1,0,1]=4 3998 B9R0.2 CC(C)OCCOCCCl 7a_100011215305_100000210206 [1,1,0,0,0,0|1,0,1]=4 3999 B9R0.2 CC(C)OCCOCCF 34a_100000211219_100011217306 [1,1,0,0,0,0|1,0,1]=4 4000 B9R0.2 CC(C)OCCOCCF 34a_200015357709_100000210206 [1,1,0,0,0,0|1,0,1]=4 4001 B9R0.2 CC(C)OCCOCCF 7a_100000211219_100011217306 [1,1,0,0,0,0|1,0,1]=4 4002 B9R0.2 CC(C)OCCOCCF 7a_200015357709_100000210206 [1,1,0,0,0,0|1,0,1]=4 4003 B9R0.2 CC(C)OCCOCCI 34a_100012149058_100000210206 [1,1,0,0,0,0|1,0,1]=4 4004 B9R0.2 CC(C)OCCOCCI 7a_100012149058_100000210206 [1,1,0,0,0,0|1,0,1]=4 4005 B9R0.2 CC(C)OCCOCCN 34a_100000210304_100000211751 [1,1,0,0,0,0|1,0,1]=4 4006 B9R0.2 CC(C)OCCOCCN 34a_100000211614_100000210206 [1,1,0,0,0,0|1,0,1]=4 4007 B9R0.2 CC(C)OCCOCCO 34a_100000211219_100000211926 [1,1,0,0,0,0|1,0,1]=4 4008 B9R0.2 CC(C)OCCOCCO 34a_100000212225_100000692535 [1,1,0,0,0,0|1,0,1]=4 4009 B9R0.2 CC(C)OCCOCCO 7a_100000211219_100000211926 [1,1,0,0,0,0|1,0,1]=4 4010 B9R0.2 CC(C)OCOCCCBr 34a_100011217188_100000709892 [1,1,0,0,0,0|1,0,1]=4 4011 B9R0.2 CC(C)OCOCCCCl 34a_100000230001_100000709892 [1,1,0,0,0,0|1,0,1]=4 4012 B9R0.2 CC(C)OCOCCCF 34a_100000759539_100000709892 [1,1,0,0,0,0|1,0,1]=4 4013 B9R0.2 CC(C)OCOCCCN 34a_100000182051_100000709892 [1,1,0,0,0,0|1,0,1]=4 4014 B9R0.2 CC(C)SCCOCCBr 34a_100000211926_100000730970 [1,1,0,0,0,0|1,0,1]=4 4015 B9R0.2 CC(C)SCCOCCF 34a_200011212901_100011217306 [1,1,0,0,0,0|1,0,1]=4 4016 B9R0.2 CC(C)SCCOCCF 7a_200011212901_100011217306 [1,1,0,0,0,0|1,0,1]=4 4017 B9R0.2 CC(C)SCCOCCN 34a_100000210304_100000730970 [1,1,0,0,0,0|1,0,1]=4 4018 B9R0.2 CC(C)SCCOCCO 34a_200011212901_100000211926 [1,1,0,0,0,0|1,0,1]=4 4019 B9R0.2 CC(C)SCCOCCO 62a_100000210206_100011215305 [1,1,0,0,0,0|1,0,1]=4 4020 B9R0.2 CC(C)SCCOCCO 62a_100011215305_100000210206 [1,1,0,0,0,0|1,0,1]=4 4021 B9R0.2 CC(C)SCCOCCO 7a_200011212901_100000211926 [1,1,0,0,0,0|1,0,1]=4 4022 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [1,1,0,0,0,0|1,0,1]=4 4023 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [1,1,0,0,0,0|1,0,1]=4 4024 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [1,1,0,0,0,0|1,0,1]=4 4025 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [1,1,0,0,0,0|1,0,1]=4 4026 B9R0.2 CC/C=C\CCNC(C)C 2230a_100138425928_100015370543 [1,1,0,0,0,0|1,0,0]=3 4027 B9R0.2 CC/C=C\CCNC(C)C 34a_100138425928_100015370543 [1,1,0,0,0,0|1,0,0]=3 4028 B9R0.2 CC/C=C\CCOC(C)C 34a_100000212225_100015370543 [1,1,0,0,0,0|1,0,0]=3 4029 B9R0.2 CC/C=C\CCOC(C)C 34a_100016288707_100000210206 [1,1,0,0,0,0|1,0,0]=3 4030 B9R0.2 CC/C=C\CCOC(C)C 7a_100016288707_100000210206 [1,1,0,0,0,0|1,0,0]=3 4031 B9R0.2 CC/C=C\CCSC(C)C 62a_100000210206_100015370543 [1,1,0,0,0,0|1,0,0]=3 4032 B9R0.2 CC/C=C\CCSC(C)C 62a_100015370543_100000210206 [1,1,0,0,0,0|1,0,0]=3 4033 B9R0.2 CC/C=C\CNCC(C)C 2230a_100000210953_100103147603 [1,1,0,0,0,0|1,0,0]=3 4034 B9R0.2 CC/C=C\CNCC(C)C 34a_100000210953_100103147603 [1,1,0,0,0,0|1,0,0]=3 4035 B9R0.2 CC/C=C\CNCC(C)O 2230a_100000210904_100103147603 [1,1,0,0,0,0|2,0,0]=4 4036 B9R0.2 CC/C=C\CNCC(C)O 34a_100000210904_100103147603 [1,1,0,0,0,0|2,0,0]=4 4037 B9R0.2 CC/C=C\COCC(C)Br 34a_100012180447_100103147603 [1,1,0,0,0,0|2,0,0]=4 4038 B9R0.2 CC/C=C\COCC(C)C 34a_100000210257_100103147603 [1,1,0,0,0,0|1,0,0]=3 4039 B9R0.2 CC/C=C\COCC(C)C 34a_100016268518_100000210624 [1,1,0,0,0,0|1,0,0]=3 4040 B9R0.2 CC/C=C\COCC(C)F 34a_100015925927_100103147603 [1,1,0,0,0,0|2,0,0]=4 4041 B9R0.2 CC/C=C\COCC(C)O 34a_100016268518_100011218427 [1,1,0,0,0,0|2,0,0]=4 4042 B9R0.2 CC/C=C\COC[C@@H](C)Cl 34a_100016084084_100103147603 [1,1,0,0,0,0|2,0,0]=4 4043 B9R0.2 CC/C=C\COC[C@@H](C)N 34a_100000737577_100103147603 [1,1,0,0,0,0|2,0,0]=4 4044 B9R0.2 CC/C=C\COC[C@@H](C)O 34a_100016268518_100009817552 [1,1,0,0,0,0|2,0,0]=4 4045 B9R0.2 CC/C=C\CSCC(C)C 62a_100000210624_100103147603 [1,1,0,0,0,0|1,0,0]=3 4046 B9R0.2 CC/C=C\CSCC(C)C 62a_100103147603_100000210760 [1,1,0,0,0,0|1,0,0]=3 4047 B9R0.2 CC/C=C\CSCC(C)O 62a_100011218427_100103147603 [1,1,0,0,0,0|2,0,0]=4 4048 B9R0.2 CC/C=C\CSCC(C)O 62a_100103147603_100011218427 [1,1,0,0,0,0|2,0,0]=4 4049 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100009817552_100103147603 [1,1,0,0,0,0|2,0,0]=4 4050 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100103147603_100009817552 [1,1,0,0,0,0|2,0,0]=4 4051 B9R0.2 CC=CCCCOC(C)C 34a_100020645299_100000210206 [1,1,0,0,0,0|1,0,1]=4 4052 B9R0.2 CC=CCOCCC(C)Br 34a_100009893172_100000070051 [1,1,0,0,0,0|1,0,1]=4 4053 B9R0.2 CC=CCOCCC(C)C 34a_100000210254_100000070051 [1,1,0,0,0,0|0,0,1]=3 4054 B9R0.2 CC=CCOCCC(C)C 7a_100000210254_100000070051 [1,1,0,0,0,0|0,0,1]=3 4055 B9R0.2 CC=CCOCC[C@@H](C)N 34a_100000706166_100000070051 [1,1,0,0,0,0|1,0,1]=4 4056 B9R0.2 CC=CCSCCC(C)C 62a_100000070051_100000210312 [1,1,0,0,0,0|0,1,1]=4 4057 B9R0.2 CC=CCSCCC(C)C 62a_100000210312_100000070051 [1,1,0,0,0,0|0,1,1]=4 4058 B9R0.2 CCC#CCCOC(C)C 34a_100000036655_100000210206 [1,1,0,0,0,0|1,0,1]=4 4059 B9R0.2 CCC#CCCOC(C)C 7a_100000036655_100000210206 [1,1,0,0,0,0|1,0,1]=4 4060 B9R0.2 CCC#CCNCC(C)C 2230a_100000210953_100009813939 [1,1,0,0,0,0|1,0,1]=4 4061 B9R0.2 CCC#CCNCC(C)C 34a_100000210953_100009813939 [1,1,0,0,0,0|1,0,1]=4 4062 B9R0.2 CCC#CCOCC(C)C 34a_100000032950_100000210624 [1,1,0,0,0,0|1,0,1]=4 4063 B9R0.2 CCC#CCOCC(C)C 34a_100000210257_100009813939 [1,1,0,0,0,0|1,0,1]=4 4064 B9R0.2 CCC#CCSCC(C)C 62a_100000210624_100009813939 [1,1,0,0,0,0|1,0,1]=4 4065 B9R0.2 CCC#CCSCC(C)C 62a_100009813939_100000210760 [1,1,0,0,0,0|1,0,1]=4 4066 B9R0.2 CCC/C=C/COC(C)C 34a_100016278788_100000210206 [1,1,0,0,0,0|2,0,0]=4 4067 B9R0.2 CCC/C=C/COC(C)C 7a_100016278788_100000210206 [1,1,0,0,0,0|2,0,0]=4 4068 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,1,0,0,0,0|1,0,1]=4 4069 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,1,0,0,0,0|1,0,1]=4 4070 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,1,0,0,0,0|1,0,1]=4 4071 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,1,0,0,0,0|1,0,1]=4 4072 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,1,0,0,0,0|1,0,1]=4 4073 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,1,0,0,0,0|1,0,1]=4 4074 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [1,1,0,0,0,0|1,0,1]=4 4075 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [1,1,0,0,0,0|1,0,1]=4 4076 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [1,1,0,0,0,0|1,0,1]=4 4077 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [1,1,0,0,0,0|1,0,1]=4 4078 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [1,1,0,0,0,0|1,0,1]=4 4079 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [1,1,0,0,0,0|1,0,1]=4 4080 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [1,1,0,0,0,0|1,0,1]=4 4081 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [1,1,0,0,0,0|1,0,1]=4 4082 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [1,1,0,0,0,0|1,0,1]=4 4083 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [1,1,0,0,0,0|1,0,1]=4 4084 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [1,1,0,0,0,0|1,0,1]=4 4085 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [1,1,0,0,0,0|1,0,1]=4 4086 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [1,1,0,0,0,0|1,0,1]=4 4087 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [1,1,0,0,0,0|1,0,1]=4 4088 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [1,1,0,0,0,0|1,0,1]=4 4089 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [1,1,0,0,0,0|0,0,1]=3 4090 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [1,1,0,0,0,0|0,0,1]=3 4091 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [1,1,0,0,0,0|0,0,1]=3 4092 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [1,1,0,0,0,0|0,0,1]=3 4093 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [1,1,0,0,0,0|1,0,1]=4 4094 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [1,1,0,0,0,0|1,0,1]=4 4095 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [1,1,0,0,0,0|1,0,1]=4 4096 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [1,1,0,0,0,0|1,0,1]=4 4097 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [1,1,0,0,0,0|1,0,1]=4 4098 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [1,1,0,0,0,0|1,0,1]=4 4099 B9R0.2 CCCCOCNC(C)C 2230a_100138425928_100011995733 [1,1,0,0,0,0|1,0,1]=4 4100 B9R0.2 CCCCOCNC(C)C 34a_100138425928_100011995733 [1,1,0,0,0,0|1,0,1]=4 4101 B9R0.2 CCCCOCOC(C)C 34a_100000210227_100000709892 [1,1,0,0,0,0|1,0,1]=4 4102 B9R0.2 CCCCOCOC(C)C 34a_100000212225_100011995733 [1,1,0,0,0,0|1,0,1]=4 4103 B9R0.2 CCCCOCSC(C)C 62a_100000210206_100011995733 [1,1,0,0,0,0|1,0,1]=4 4104 B9R0.2 CCCCOCSC(C)C 62a_100011995733_100000210206 [1,1,0,0,0,0|1,0,1]=4 4105 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [1,1,0,0,0,0|0,1,1]=4 4106 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [1,1,0,0,0,0|0,1,1]=4 4107 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [1,1,0,0,0,0|1,0,1]=4 4108 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [1,1,0,0,0,0|1,0,1]=4 4109 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [1,1,0,0,0,0|1,0,1]=4 4110 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [1,1,0,0,0,0|1,0,1]=4 4111 B9R0.2 CCCNCCSC(C)C 2230a_100000731138_100000210303 [1,1,0,0,0,0|1,0,1]=4 4112 B9R0.2 CCCNCCSC(C)C 34a_100000731138_100000210303 [1,1,0,0,0,0|1,0,1]=4 4113 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [1,1,0,0,0,0|0,0,2]=4 4114 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [1,1,0,0,0,0|0,0,1]=3 4115 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [1,1,0,0,0,0|0,0,1]=3 4116 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [1,1,0,0,0,0|0,0,1]=3 4117 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,1,0,0,0,0|1,0,1]=4 4118 B9R0.2 CCCOCCNC(C)C 2230a_100138425928_100011215938 [1,1,0,0,0,0|0,0,1]=3 4119 B9R0.2 CCCOCCNC(C)C 2230a_100161115042_100000210206 [1,1,0,0,0,0|0,0,1]=3 4120 B9R0.2 CCCOCCNC(C)C 34a_100000224655_100000210303 [1,1,0,0,0,0|0,0,1]=3 4121 B9R0.2 CCCOCCNC(C)C 34a_100138425928_100011215938 [1,1,0,0,0,0|0,0,1]=3 4122 B9R0.2 CCCOCCNC(C)C 34a_100161115042_100000210206 [1,1,0,0,0,0|0,0,1]=3 4123 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [1,1,0,0,0,0|0,0,1]=3 4124 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [1,1,0,0,0,0|0,0,1]=3 4125 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [1,1,0,0,0,0|0,0,1]=3 4126 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [1,1,0,0,0,0|0,0,1]=3 4127 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [1,1,0,0,0,0|0,0,1]=3 4128 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [1,1,0,0,0,0|0,0,1]=3 4129 B9R0.2 CCCOCCSC(C)C 34a_100000210258_100000730970 [1,1,0,0,0,0|0,0,1]=3 4130 B9R0.2 CCCOCCSC(C)C 34a_200011212901_100000210303 [1,1,0,0,0,0|0,0,1]=3 4131 B9R0.2 CCCOCCSC(C)C 62a_100000210206_100011215938 [1,1,0,0,0,0|0,0,1]=3 4132 B9R0.2 CCCOCCSC(C)C 62a_100011215938_100000210206 [1,1,0,0,0,0|0,0,1]=3 4133 B9R0.2 CCCOCCSC(C)C 7a_200011212901_100000210303 [1,1,0,0,0,0|0,0,1]=3 4134 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [1,1,0,0,0,0|0,1,1]=4 4135 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [1,1,0,0,0,0|0,1,1]=4 4136 B9R0.2 CCCSCCNC(C)C 2230a_100020603323_100000210206 [1,1,0,0,0,0|0,1,1]=4 4137 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [1,1,0,0,0,0|0,1,1]=4 4138 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [1,1,0,0,0,0|0,1,1]=4 4139 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [1,1,0,0,0,0|0,1,1]=4 4140 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [1,1,0,0,0,0|0,1,1]=4 4141 B9R0.2 CCCSCCSC(C)C 62a_100000210303_100000730970 [1,1,0,0,0,0|0,1,1]=4 4142 B9R0.2 CCCSCCSC(C)C 62a_100000730970_100000210303 [1,1,0,0,0,0|0,1,1]=4 4143 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [1,1,0,0,0,0|1,0,1]=4 4144 B9R0.2 CCNCCCOC(C)C 2230a_100000737246_100000210202 [1,1,0,0,0,0|2,0,0]=4 4145 B9R0.2 CCNCCCOC(C)C 34a_100000737246_100000210202 [1,1,0,0,0,0|2,0,0]=4 4146 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [1,1,0,0,0,0|1,0,1]=4 4147 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [1,1,0,0,0,0|1,0,1]=4 4148 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [1,1,0,0,0,0|1,0,1]=4 4149 B9R0.2 CCOCCCNC(C)C 2230a_100000210961_100000210206 [1,1,0,0,0,0|2,0,0]=4 4150 B9R0.2 CCOCCCNC(C)C 2230a_100138425928_100012232248 [1,1,0,0,0,0|2,0,0]=4 4151 B9R0.2 CCOCCCNC(C)C 34a_100000182298_100000210202 [1,1,0,0,0,0|2,0,0]=4 4152 B9R0.2 CCOCCCNC(C)C 34a_100000210961_100000210206 [1,1,0,0,0,0|2,0,0]=4 4153 B9R0.2 CCOCCCNC(C)C 34a_100138425928_100012232248 [1,1,0,0,0,0|2,0,0]=4 4154 B9R0.2 CCOCCCOC(C)C 34a_100000212225_100012232248 [1,1,0,0,0,0|2,0,0]=4 4155 B9R0.2 CCOCCCOC(C)C 34a_100000757476_100000210206 [1,1,0,0,0,0|2,0,0]=4 4156 B9R0.2 CCOCCCOC(C)C 7a_100000757476_100000210206 [1,1,0,0,0,0|2,0,0]=4 4157 B9R0.2 CCOCCCSC(C)C 62a_100000210206_100012232248 [1,1,0,0,0,0|2,0,0]=4 4158 B9R0.2 CCOCCCSC(C)C 62a_100012232248_100000210206 [1,1,0,0,0,0|2,0,0]=4 4159 B9R0.2 CCOCCNCC(C)C 2230a_100000210953_100011215890 [1,1,0,0,0,0|2,0,0]=4 4160 B9R0.2 CCOCCNCC(C)C 2230a_102516460346_100000210760 [1,1,0,0,0,0|2,0,0]=4 4161 B9R0.2 CCOCCNCC(C)C 270004a_102516460346_100000210432 [1,1,0,0,0,0|2,0,0]=4 4162 B9R0.2 CCOCCNCC(C)C 34a_100000210953_100000210147 [1,1,0,0,0,0|2,0,0]=4 4163 B9R0.2 CCOCCNCC(C)C 34a_100015185251_100000210202 [1,1,0,0,0,0|2,0,0]=4 4164 B9R0.2 CCOCCNCC(C)C 34a_102516460346_100000210624 [1,1,0,0,0,0|2,0,0]=4 4165 B9R0.2 CCOCCOCC(C)C 34a_100000210136_100000210624 [1,1,0,0,0,0|2,0,0]=4 4166 B9R0.2 CCOCCOCC(C)C 34a_100000210257_100000210147 [1,1,0,0,0,0|2,0,0]=4 4167 B9R0.2 CCOCCOCC(C)C 34a_100000703358_100000210202 [1,1,0,0,0,0|2,0,0]=4 4168 B9R0.2 CCOCCOCC(C)C 7a_100000210136_100000210760 [1,1,0,0,0,0|2,0,0]=4 4169 B9R0.2 CCOCCOCC(C)C 7a_100000703358_100000210202 [1,1,0,0,0,0|2,0,0]=4 4170 B9R0.2 CCOCCSCC(C)C 34a_200000230437_100000210202 [1,1,0,0,0,0|2,0,0]=4 4171 B9R0.2 CCOCCSCC(C)C 62a_100000210147_100000210760 [1,1,0,0,0,0|2,0,0]=4 4172 B9R0.2 CCOCCSCC(C)C 62a_100000210624_100011215890 [1,1,0,0,0,0|2,0,0]=4 4173 B9R0.2 CCOCCSCC(C)C 7a_200000230437_100000210202 [1,1,0,0,0,0|2,0,0]=4 4174 B9R0.2 CCOCSCCC(C)C 62a_100000210312_100000739092 [1,1,0,0,0,0|0,1,1]=4 4175 B9R0.2 CCOCSCCC(C)C 62a_100000739092_100000210312 [1,1,0,0,0,0|0,1,1]=4 4176 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [1,1,0,0,0,0|1,0,1]=4 4177 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [1,1,0,0,0,0|1,0,1]=4 4178 B9R0.2 CCSCCCOC(C)C 34a_100011216438_100000210206 [1,1,0,0,0,0|2,0,0]=4 4179 B9R0.2 CCSCCCOC(C)C 7a_100011216438_100000210206 [1,1,0,0,0,0|2,0,0]=4 4180 B9R0.2 CCSCCNCC(C)C 2230a_100000106463_100000210760 [1,1,0,0,0,0|2,0,0]=4 4181 B9R0.2 CCSCCNCC(C)C 2230a_100000210953_100000757381 [1,1,0,0,0,0|2,0,0]=4 4182 B9R0.2 CCSCCNCC(C)C 270004a_100000106463_100000210432 [1,1,0,0,0,0|2,0,0]=4 4183 B9R0.2 CCSCCNCC(C)C 34a_100000210953_100000757381 [1,1,0,0,0,0|2,0,0]=4 4184 B9R0.2 CCSCCOCC(C)C 34a_100000210257_100000757381 [1,1,0,0,0,0|2,0,0]=4 4185 B9R0.2 CCSCCOCC(C)C 34a_100000212035_100000210624 [1,1,0,0,0,0|2,0,0]=4 4186 B9R0.2 CCSCCOCC(C)C 7a_100000212035_100000210760 [1,1,0,0,0,0|2,0,0]=4 4187 B9R0.2 CCSCCSCC(C)C 62a_100000210624_100000757381 [1,1,0,0,0,0|2,0,0]=4 4188 B9R0.2 CCSCCSCC(C)C 62a_100000757381_100000210760 [1,1,0,0,0,0|2,0,0]=4 4189 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [1,1,0,0,0,0|1,0,1]=4 4190 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [1,1,0,0,0,0|1,0,1]=4 4191 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [1,1,0,0,0,0|1,0,1]=4 4192 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [1,1,0,0,0,0|1,0,1]=4 4193 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [1,1,0,0,0,0|1,0,1]=4 4194 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [1,1,0,0,0,0|1,0,1]=4 4195 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [1,1,0,0,0,0|1,0,1]=4 4196 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [1,1,0,0,0,0|1,0,1]=4 4197 B9R0.2 COCCNCCC(C)C 2230a_100000209980_100000210312 [1,1,0,0,0,0|1,0,1]=4 4198 B9R0.2 COCCNCCC(C)C 269862a_100000209980_100000185833 [1,1,0,0,0,0|1,0,1]=4 4199 B9R0.2 COCCOCCC(C)Br 34a_100009893172_100011201679 [1,1,0,0,0,0|1,0,1]=4 4200 B9R0.2 COCCOCCC(C)C 34a_100000210237_100000210312 [1,1,0,0,0,0|0,0,1]=3 4201 B9R0.2 COCCOCCC(C)C 34a_100000210254_100011201679 [1,1,0,0,0,0|0,0,1]=3 4202 B9R0.2 COCCOCCC(C)C 7a_100000210254_100000233755 [1,1,0,0,0,0|0,0,1]=3 4203 B9R0.2 COCCOCCC(C)O 34a_100000210237_100012276601 [1,1,0,0,0,0|1,0,1]=4 4204 B9R0.2 COCCOCCN(C)C 2230a_100102631434_100000695917 [1,1,0,0,0,0|1,0,1]=4 4205 B9R0.2 COCCOCCN(C)C 269982a_100102631434_100000695917 [1,1,0,0,0,0|1,0,1]=4 4206 B9R0.2 COCCOCC[C@@H](C)N 34a_100000706166_100011201679 [1,1,0,0,0,0|1,0,1]=4 4207 B9R0.2 COCCOCNC(C)C 2230a_100138425928_100000231047 [1,1,0,0,0,0|1,0,1]=4 4208 B9R0.2 COCCOCOC(C)C 34a_100000210237_100000709892 [1,1,0,0,0,0|1,0,1]=4 4209 B9R0.2 COCCOCSC(C)C 62a_100000210206_100000231047 [1,1,0,0,0,0|1,0,1]=4 4210 B9R0.2 COCCOCSC(C)C 62a_100000231047_100000210206 [1,1,0,0,0,0|1,0,1]=4 4211 B9R0.2 COCCSCCC(C)C 62a_100000210312_100000233755 [1,1,0,0,0,0|0,1,1]=4 4212 B9R0.2 COCCSCCC(C)C 62a_100000233755_100000210312 [1,1,0,0,0,0|0,1,1]=4 4213 B9R0.2 COCNCCCC(C)C 2230a_200000737386_100000766300 [1,1,0,0,0,0|2,0,0]=4 4214 B9R0.2 COCSCCCC(C)C 62a_100000766300_100011214892 [1,1,0,0,0,0|2,0,0]=4 4215 B9R0.2 COCSCCCC(C)C 62a_100011214892_100000766300 [1,1,0,0,0,0|2,0,0]=4 4216 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [1,1,0,0,0,0|1,0,1]=4 4217 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [1,1,0,0,0,0|1,0,1]=4 4218 B9R0.2 CSCCNCCC(C)C 2230a_100020590264_100000210312 [1,1,0,0,0,0|1,0,1]=4 4219 B9R0.2 CSCCNCCC(C)C 269862a_100020590264_100000185833 [1,1,0,0,0,0|1,0,1]=4 4220 B9R0.2 CSCCOCCC(C)Br 34a_100009893172_100000212216 [1,1,0,0,0,0|1,0,1]=4 4221 B9R0.2 CSCCOCCC(C)C 34a_100000210254_100000212216 [1,1,0,0,0,0|0,0,1]=3 4222 B9R0.2 CSCCOCCC(C)C 34a_100000230434_100000210312 [1,1,0,0,0,0|0,0,1]=3 4223 B9R0.2 CSCCOCCC(C)C 7a_100000210254_100000212216 [1,1,0,0,0,0|0,0,1]=3 4224 B9R0.2 CSCCOCCC(C)C 7a_100000230434_100000210626 [1,1,0,0,0,0|0,0,1]=3 4225 B9R0.2 CSCCOCCC(C)O 34a_100000230434_100012276601 [1,1,0,0,0,0|1,0,1]=4 4226 B9R0.2 CSCCOCCC(C)O 7a_100000230434_100012276601 [1,1,0,0,0,0|1,0,1]=4 4227 B9R0.2 CSCCOCCN(C)C 7a_100000230434_100000755713 [1,1,0,0,0,0|1,0,1]=4 4228 B9R0.2 CSCCOCC[C@@H](C)N 34a_100000706166_100000212216 [1,1,0,0,0,0|1,0,1]=4 4229 B9R0.2 CSCCOCOC(C)C 34a_100000230434_100000709892 [1,1,0,0,0,0|1,0,1]=4 4230 B9R0.2 CSCCSCCC(C)C 62a_100000210312_100000751147 [1,1,0,0,0,0|0,1,1]=4 4231 B9R0.2 CSCCSCCC(C)C 62a_100000212216_100000210312 [1,1,0,0,0,0|0,1,1]=4 4232 B9R0.2 CSCNCCCC(C)C 2230a_200000737386_100011218213 [1,1,0,0,0,0|2,0,0]=4 4233 B9R0.2 CSCNCCCC(C)C 34a_200000737386_100011218213 [1,1,0,0,0,0|2,0,0]=4 4234 B9R0.2 CSCOCCCC(C)C 34a_100000210774_100011218213 [1,1,0,0,0,0|1,0,1]=4 4235 B9R0.2 CSCOCCNC(C)C 34a_100000224655_100011218213 [1,1,0,0,0,0|1,0,1]=4 4236 B9R0.2 CSCOCCOC(C)C 34a_100000211219_100011218213 [1,1,0,0,0,0|1,0,1]=4 4237 B9R0.2 CSCOCCSC(C)C 34a_200011212901_100011218213 [1,1,0,0,0,0|1,0,1]=4 4238 B9R0.2 CSCSCCCC(C)C 62a_100011214892_100011218213 [1,1,0,0,0,0|2,0,0]=4 4239 B9R0.2 CSCSCCCC(C)C 62a_100011218213_100011214892 [1,1,0,0,0,0|2,0,0]=4 4240 B9R0.2 C[C@@H](N)CCOCCCF 34a_100000706166_100011934791 [1,1,0,0,0,0|1,0,1]=4 4241 B9R0.2 C[C@@H](N)CCOCCCO 34a_100000706166_100000230001 [1,1,0,0,0,0|1,0,1]=4 4242 B9R0.4 CC(C)CC(C)OCCBr 34a_100000211926_100000731052 [1,1,0,0,0,0|1,0,1]=4 4243 B9R0.4 CC(C)CC(C)OCCF 34a_100000211805_100011217306 [1,1,0,0,0,0|1,0,1]=4 4244 B9R0.4 CC(C)CC(C)OCCF 7a_100000211805_100011217306 [1,1,0,0,0,0|1,0,1]=4 4245 B9R0.4 CC(C)CC(C)OCCN 34a_100000210304_100000731052 [1,1,0,0,0,0|1,0,1]=4 4246 B9R0.4 CC(C)CC(C)OCCO 34a_100000211805_100000211926 [1,1,0,0,0,0|1,0,1]=4 4247 B9R0.4 CC(C)CC(C)OCCO 7a_100000211805_100000211926 [1,1,0,0,0,0|1,0,1]=4 4248 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [1,1,0,0,0,0|1,0,1]=4 4249 B9R0.4 CCCNC(C)CC(C)C 2230a_100000692259_100000210303 [1,1,0,0,0,0|1,0,1]=4 4250 B9R0.4 CCCOC(C)CC(C)C 34a_100000210258_100000731052 [1,1,0,0,0,0|0,0,1]=3 4251 B9R0.4 CCCOC(C)CC(C)C 34a_100000211805_100000210303 [1,1,0,0,0,0|0,0,1]=3 4252 B9R0.4 CCCOC(C)CC(C)C 7a_100000211805_100000210303 [1,1,0,0,0,0|0,0,1]=3 4253 B9R0.4 CCCSC(C)CC(C)C 62a_100000210303_100000731052 [1,1,0,0,0,0|0,1,1]=4 4254 B9R0.4 CCCSC(C)CC(C)C 62a_100000731052_100000210303 [1,1,0,0,0,0|0,1,1]=4 4255 B9R0.4 CCOC[C@@H](N)CC(C)C 34a_100011830311_100000210202 [1,1,0,0,0,0|2,0,0]=4 4256 B9R0.4 CSCOC(C)CC(C)C 34a_100000211805_100011218213 [1,1,0,0,0,0|1,0,1]=4 4257 B9R0.38 CC(C)(C)CCOCCBr 34a_100000211926_100000755188 [1,1,0,0,0,0|1,0,1]=4 4258 B9R0.38 CC(C)(C)CCOCCF 7a_100000765024_100011217306 [1,1,0,0,0,0|1,0,1]=4 4259 B9R0.38 CC(C)(C)CCOCCN 34a_100000210304_100000755188 [1,1,0,0,0,0|1,0,1]=4 4260 B9R0.38 CC(C)(C)CCOCCO 7a_100000765024_100000211926 [1,1,0,0,0,0|1,0,1]=4 4261 B9R0.38 CC(C)(O)CCOCCBr 34a_100000211926_100000702414 [1,1,0,0,0,0|1,0,1]=4 4262 B9R0.38 CC(C)(O)CCOCCN 34a_100000210304_100000702414 [1,1,0,0,0,0|1,0,1]=4 4263 B9R0.38 CC/C=C\CNC(C)(C)C 2230a_100000715429_100103147603 [1,1,0,0,0,0|2,0,0]=4 4264 B9R0.38 CC/C=C\COC(C)(C)C 34a_100015890283_100103147603 [1,1,0,0,0,0|2,0,0]=4 4265 B9R0.38 CC/C=C\COC(C)(C)C 34a_100016268518_100000210625 [1,1,0,0,0,0|2,0,0]=4 4266 B9R0.38 CC/C=C\COC(C)(C)C 7a_100015890283_100103147603 [1,1,0,0,0,0|2,0,0]=4 4267 B9R0.38 CC/C=C\CSC(C)(C)C 62a_100000211941_100103147603 [1,1,0,0,0,0|2,0,0]=4 4268 B9R0.38 CC/C=C\CSC(C)(C)C 62a_100103147603_100000211941 [1,1,0,0,0,0|2,0,0]=4 4269 B9R0.38 CCCNCCC(C)(C)C 2230a_100000738805_100000210303 [1,1,0,0,0,0|1,0,1]=4 4270 B9R0.38 CCCNCCC(C)(C)F 2230a_100016253952_100000210303 [1,1,0,0,0,0|1,0,1]=4 4271 B9R0.38 CCCOCCC(C)(C)C 34a_100000210258_100000755188 [1,1,0,0,0,0|0,0,1]=3 4272 B9R0.38 CCCOCCC(C)(C)C 7a_100000765024_100000210303 [1,1,0,0,0,0|0,0,1]=3 4273 B9R0.38 CCCOCCC(C)(C)O 34a_100000210258_100000702414 [1,1,0,0,0,0|0,0,1]=3 4274 B9R0.38 CCCOCC[N+](C)(C)C 34a_100000210258_100000085578 [1,1,0,0,0,0|1,0,1]=4 4275 B9R0.38 CCCOCC[N+](C)(C)C 7a_200020618287_100000210303 [1,1,0,0,0,0|1,0,1]=4 4276 B9R0.38 CCCOCC[Si](C)(C)C 34a_100000210258_200000733723 [1,1,0,0,0,0|0,1,1]=4 4277 B9R0.38 CCCOCC[Si](C)(C)C 7a_100000039746_100000210303 [1,1,0,0,0,0|0,1,1]=4 4278 B9R0.38 CCCSCCC(C)(C)C 62a_100000210303_100000755188 [1,1,0,0,0,0|0,1,1]=4 4279 B9R0.38 CCCSCCC(C)(C)C 62a_100000755188_100000210303 [1,1,0,0,0,0|0,1,1]=4 4280 B9R0.38 CCCSCCC(C)(C)O 62a_100000210303_100000702414 [1,1,0,0,0,0|0,1,1]=4 4281 B9R0.38 CCCSCCC(C)(C)O 62a_100000702414_100000210303 [1,1,0,0,0,0|0,1,1]=4 4282 B9R0.38 CCNCCCC(C)(C)O 2230a_100015525214_100009888830 [1,1,0,0,0,0|2,0,0]=4 4283 B9R0.38 CCOCCCC(C)(C)O 34a_100121572206_100009888830 [1,1,0,0,0,0|2,0,0]=4 4284 B9R0.38 CCSCCCC(C)(C)O 62a_100000210202_100009888830 [1,1,0,0,0,0|2,0,0]=4 4285 B9R0.38 CCSCCCC(C)(C)O 62a_100009888830_100000210202 [1,1,0,0,0,0|2,0,0]=4 4286 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [1,1,0,0,0,0|1,0,1]=4 4287 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [1,1,0,0,0,0|1,0,1]=4 4288 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [1,1,0,0,0,0|1,0,1]=4 4289 B9R0.48 CCCN(C)CCC(C)C 2230a_100000742789_100000210303 [1,1,0,0,0,0|1,0,1]=4 4290 B9R0.48 CCCN(C)CCC(C)C 2230a_100000747261_100000210312 [1,1,0,0,0,0|1,0,1]=4 4291 B9R0.48 CCCN(C)CCC(C)C 269982a_100000742789_100000210303 [1,1,0,0,0,0|1,0,1]=4 4292 B9R0.48 CCCN(C)CCC(C)C 269982a_100000747261_100000210312 [1,1,0,0,0,0|1,0,1]=4 4293 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [1,1,0,0,0,0|2,0,0]=4 4294 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [1,1,0,0,0,0|2,0,0]=4 4295 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [1,1,0,0,0,0|2,0,0]=4 4296 B9R0.48 CCNC(C)CCC(C)C 2230a_100015525214_100011261404 [1,1,0,0,0,0|2,0,0]=4 4297 B9R0.48 CCNC(C)CCC(C)C 2230a_100138410893_100000210202 [1,1,0,0,0,0|2,0,0]=4 4298 B9R0.48 CCNC(C)CCC(C)C 270004a_100015525214_100000210476 [1,1,0,0,0,0|2,0,0]=4 4299 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [1,1,0,0,0,0|2,0,0]=4 4300 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [1,1,0,0,0,0|2,0,0]=4 4301 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [1,1,0,0,0,0|2,0,0]=4 4302 B9R0.48 CCSC(C)CCC(C)C 62a_100000210202_100011261404 [1,1,0,0,0,0|2,0,0]=4 4303 B9R0.48 CCSC(C)CCC(C)C 62a_100011261404_100000210202 [1,1,0,0,0,0|2,0,0]=4 4304 B9R0.55 C=C(C)COCCC(C)C 34a_100000210245_100000210312 [1,1,0,0,0,0|0,0,2]=4 4305 B9R0.55 C=C(C)COCCC(C)C 34a_100000210254_100000748629 [1,1,0,0,0,0|0,0,2]=4 4306 B9R0.55 C=C(C)COCCC(C)C 7a_100000210254_100000748629 [1,1,0,0,0,0|0,0,2]=4 4307 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [1,1,0,0,0,0|0,0,2]=4 4308 B9R0.55 CC(Br)CCOC[C@@H](C)O 34a_100009893172_100009817552 [1,1,0,0,0,0|1,0,1]=4 4309 B9R0.55 CC(Br)COCOC(C)C 34a_100012180447_100000709892 [1,1,0,0,0,0|1,0,1]=4 4310 B9R0.55 CC(C)CCCNC(C)C 2230a_100138425928_100011214892 [1,1,0,0,0,0|2,0,0]=4 4311 B9R0.55 CC(C)CCCNC(C)C 2230a_200000737386_100000210206 [1,1,0,0,0,0|2,0,0]=4 4312 B9R0.55 CC(C)CCCNC(C)C 34a_100138425928_100011214892 [1,1,0,0,0,0|2,0,0]=4 4313 B9R0.55 CC(C)CCCNC(C)C 34a_200000737386_100000210206 [1,1,0,0,0,0|2,0,0]=4 4314 B9R0.55 CC(C)CCCOC(C)C 34a_100000210774_100000210206 [1,1,0,0,0,0|2,0,0]=4 4315 B9R0.55 CC(C)CCCOC(C)C 34a_100000212225_100011214892 [1,1,0,0,0,0|2,0,0]=4 4316 B9R0.55 CC(C)CCCOC(C)C 7a_100000210774_100000210206 [1,1,0,0,0,0|2,0,0]=4 4317 B9R0.55 CC(C)CCCSC(C)C 62a_100000210206_100011214892 [1,1,0,0,0,0|2,0,0]=4 4318 B9R0.55 CC(C)CCCSC(C)C 62a_100011214892_100000210206 [1,1,0,0,0,0|2,0,0]=4 4319 B9R0.55 CC(C)CCNCC(C)C 2230a_100000210953_100000210312 [1,1,0,0,0,0|1,0,1]=4 4320 B9R0.55 CC(C)CCNCC(C)C 269862a_100000210953_100000185833 [1,1,0,0,0,0|1,0,1]=4 4321 B9R0.55 CC(C)CCNCC(C)C 270004a_100000210545_100000210432 [1,1,0,0,0,0|1,0,1]=4 4322 B9R0.55 CC(C)CCNCC(C)C 34a_100000210953_100000210312 [1,1,0,0,0,0|1,0,1]=4 4323 B9R0.55 CC(C)CCNCC(C)O 2230a_100000210904_100000210312 [1,1,0,0,0,0|1,0,1]=4 4324 B9R0.55 CC(C)CCNCC(C)O 269862a_100000210904_100000185833 [1,1,0,0,0,0|1,0,1]=4 4325 B9R0.55 CC(C)CCNCC(C)O 34a_100000210904_100000210312 [1,1,0,0,0,0|1,0,1]=4 4326 B9R0.55 CC(C)CCOCC(C)Br 34a_100012180447_100000210312 [1,1,0,0,0,0|0,0,1]=3 4327 B9R0.55 CC(C)CCOCC(C)C 34a_100000210254_100000210624 [1,1,0,0,0,0|0,0,1]=3 4328 B9R0.55 CC(C)CCOCC(C)C 34a_100000210257_100000210312 [1,1,0,0,0,0|0,0,1]=3 4329 B9R0.55 CC(C)CCOCC(C)C 7a_100000210254_100000210760 [1,1,0,0,0,0|0,0,1]=3 4330 B9R0.55 CC(C)CCOCC(C)F 34a_100015925927_100000210312 [1,1,0,0,0,0|0,0,1]=3 4331 B9R0.55 CC(C)CCOCC(C)O 34a_100000210254_100011218427 [1,1,0,0,0,0|0,0,1]=3 4332 B9R0.55 CC(C)CCOCC(C)O 7a_100000210254_100011218427 [1,1,0,0,0,0|0,0,1]=3 4333 B9R0.55 CC(C)CCOCC(F)F 34a_100000210254_100011934356 [1,1,0,0,0,0|1,0,1]=4 4334 B9R0.55 CC(C)CCOCC(F)F 34a_100000743014_100000210312 [1,1,0,0,0,0|1,0,1]=4 4335 B9R0.55 CC(C)CCOCC(F)F 7a_100000210254_100011934356 [1,1,0,0,0,0|1,0,1]=4 4336 B9R0.55 CC(C)CCOC[C@@H](C)Cl 34a_100016084084_100000210312 [1,1,0,0,0,0|0,0,1]=3 4337 B9R0.55 CC(C)CCOC[C@@H](C)N 34a_100000737577_100000210312 [1,1,0,0,0,0|0,0,1]=3 4338 B9R0.55 CC(C)CCOC[C@@H](C)O 34a_100000210254_100009817552 [1,1,0,0,0,0|0,0,1]=3 4339 B9R0.55 CC(C)CCOC[C@@H](C)O 7a_100000210254_100009817552 [1,1,0,0,0,0|0,0,1]=3 4340 B9R0.55 CC(C)CCSCC(C)C 62a_100000210312_100000210760 [1,1,0,0,0,0|0,1,1]=4 4341 B9R0.55 CC(C)CCSCC(C)C 62a_100000210624_100000210312 [1,1,0,0,0,0|0,1,1]=4 4342 B9R0.55 CC(C)CCSCC(C)O 62a_100000210312_100011218427 [1,1,0,0,0,0|0,1,1]=4 4343 B9R0.55 CC(C)CCSCC(C)O 62a_100011218427_100000210312 [1,1,0,0,0,0|0,1,1]=4 4344 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100000210312_100009817552 [1,1,0,0,0,0|0,1,1]=4 4345 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100009817552_100000210312 [1,1,0,0,0,0|0,1,1]=4 4346 B9R0.55 CC(C)COCCC(C)Br 34a_100009893172_100000210624 [1,1,0,0,0,0|1,0,1]=4 4347 B9R0.55 CC(C)COCCC(C)O 34a_100000210257_100012276601 [1,1,0,0,0,0|1,0,1]=4 4348 B9R0.55 CC(C)COCC[C@@H](C)N 34a_100000706166_100000210624 [1,1,0,0,0,0|1,0,1]=4 4349 B9R0.55 CC(C)COCOC(C)C 34a_100000210257_100000709892 [1,1,0,0,0,0|1,0,1]=4 4350 B9R0.55 CC(C)OCOC[C@@H](C)Cl 34a_100016084084_100000709892 [1,1,0,0,0,0|1,0,1]=4 4351 B9R0.55 CC(C)OCOC[C@@H](C)N 34a_100000737577_100000709892 [1,1,0,0,0,0|1,0,1]=4 4352 B9R0.55 CC(F)COCOC(C)C 34a_100015925927_100000709892 [1,1,0,0,0,0|1,0,1]=4 4353 B9R0.55 CC(O)CCOCC(C)Br 34a_100012180447_100012276601 [1,1,0,0,0,0|1,0,1]=4 4354 B9R0.55 CC(O)CCOCC(C)F 34a_100015925927_100012276601 [1,1,0,0,0,0|1,0,1]=4 4355 B9R0.55 CC(O)CCOC[C@@H](C)Cl 34a_100016084084_100012276601 [1,1,0,0,0,0|1,0,1]=4 4356 B9R0.55 CC(O)CCOC[C@@H](C)N 34a_100000737577_100012276601 [1,1,0,0,0,0|1,0,1]=4 4357 B9R0.55 CC(O)COCCC(C)Br 34a_100009893172_100011218427 [1,1,0,0,0,0|1,0,1]=4 4358 B9R0.55 CC(O)COCC[C@@H](C)N 34a_100000706166_100011218427 [1,1,0,0,0,0|1,0,1]=4 4359 B9R0.55 C[C@@H](N)CCOC[C@@H](C)O 34a_100000706166_100009817552 [1,1,0,0,0,0|1,0,1]=4 4360 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [1,1,0,0,0,0|2,0,0]=4 4361 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [1,1,0,0,0,0|2,0,0]=4 4362 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [1,1,0,0,0,0|2,0,0]=4 4363 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [1,1,0,0,0,0|2,0,0]=4 4364 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [1,1,0,0,0,0|2,0,0]=4 4365 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [1,1,0,0,0,0|2,0,0]=4 4366 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [1,1,0,0,0,0|1,0,0]=3 4367 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [1,1,0,0,0,0|2,0,0]=4 4368 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [1,1,0,0,0,0|2,0,0]=4 4369 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [1,1,0,0,0,0|2,0,0]=4 4370 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [1,1,0,0,0,0|2,0,0]=4 4371 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [1,1,0,0,0,0|2,0,0]=4 4372 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [1,1,0,0,0,0|2,0,0]=4 4373 B9R0.7 CC(=O)CCN(C)C(C)C 1458a_100015184040_200000210301 [1,1,0,0,0,0|2,0,0]=4 4374 B9R0.7 CC(=O)CCN(C)C(C)C 269982a_200000211004_100000053229 [1,1,0,0,0,0|2,0,0]=4 4375 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [1,1,0,0,0,0|1,0,0]=3 4376 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [1,1,0,0,0,0|1,0,0]=3 4377 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [1,1,0,0,0,0|1,0,0]=3 4378 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [1,1,0,0,0,0|1,0,0]=3 4379 B9R0.7 CC(=O)N(C)CCN(C)C 240690a_100000225618_100015343762 [1,1,0,0,0,0|2,0,0]=4 4380 B9R0.7 CC(=O)N(C)CCN(C)C 527a_100000225618_100103153847 [1,1,0,0,0,0|2,0,0]=4 4381 B9R0.7 CC(=O)NCC(=O)C(C)C 1458a_100000194580_100000210206 [1,1,0,0,0,0|1,0,1]=4 4382 B9R0.7 CC(=O)NCC(O)C(C)C 11a_100000759067_100015343762 [1,1,0,0,0,0|1,0,0]=3 4383 B9R0.7 CC(=O)NCC(O)C(C)C 240690a_100000759067_100015343762 [1,1,0,0,0,0|1,0,0]=3 4384 B9R0.7 CC(=O)NCC(O)C(C)C 527a_100000759067_100103153847 [1,1,0,0,0,0|1,0,0]=3 4385 B9R0.7 CC(=O)OCC(=O)C(C)C 1458a_100000183556_100000210206 [1,1,0,0,0,0|0,0,1]=3 4386 B9R0.7 CC(=O)OCC(=O)N(C)C 1626a_100102631434_100000183556 [1,1,0,0,0,0|1,0,1]=4 4387 B9R0.7 CC(=O)OCC(=O)N(C)C 240690a_100102631434_100000183556 [1,1,0,0,0,0|1,0,1]=4 4388 B9R0.7 CC(=O)OCC(=O)N(C)C 527a_100102631434_100000183556 [1,1,0,0,0,0|1,0,1]=4 4389 B9R0.7 CC(=O)OCC(C)N(C)C 270004a_100102631434_100000000629 [1,1,0,0,0,0|1,0,0]=3 4390 B9R0.7 CC(=O)OCN(C)C(C)C 269982a_200000211004_100000076356 [1,1,0,0,0,0|1,0,0]=3 4391 B9R0.7 CC(=O)SCC(=O)C(C)C 1458a_100000049016_100000210206 [1,1,0,0,0,0|0,1,1]=4 4392 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [1,1,0,0,0,0|2,0,0]=4 4393 B9R0.7 CC(C)N(C)CCC(=O)[13CH3] 1458a_100015184040_200025704644 [1,1,0,0,0,0|2,0,0]=4 4394 B9R0.7 CC(C)OC[C@H](N)C(C)C 34a_100011830312_100000210206 [1,1,0,0,0,0|1,0,1]=4 4395 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [1,1,0,0,0,0|1,0,0]=3 4396 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [1,1,0,0,0,0|1,0,0]=3 4397 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [1,1,0,0,0,0|1,0,0]=3 4398 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [1,1,0,0,0,0|1,0,0]=3 4399 B9R0.53 CC(=O)NC(C)CN(C)C 11a_100016992788_100015343762 [1,1,0,0,0,0|2,0,0]=4 4400 B9R0.53 CC(=O)NC(C)CN(C)C 240690a_100016992788_100015343762 [1,1,0,0,0,0|2,0,0]=4 4401 B9R0.53 CC(=O)NC(C)CN(C)C 527a_100016992788_100103153847 [1,1,0,0,0,0|2,0,0]=4 4402 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100000210206_100009818208 [1,1,0,0,0,0|1,0,0]=3 4403 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100009818208_100000210206 [1,1,0,0,0,0|1,0,0]=3 4404 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000211805_100000210206 [1,1,0,0,0,0|1,0,1]=4 4405 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000212225_100000731052 [1,1,0,0,0,0|1,0,1]=4 4406 B9R0.53 CC(C)CC(C)OC(C)C 7a_100000211805_100000210206 [1,1,0,0,0,0|1,0,1]=4 4407 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000070787_100016990835 [1,1,0,0,0,0|2,0,0]=4 4408 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000085584_200000210301 [1,1,0,0,0,0|2,0,0]=4 4409 B9R0.56 CC(=O)CCC[Si](C)(C)C 1458a_100000070787_100011219597 [1,1,0,0,0,0|1,1,0]=4 4410 B9R0.56 CC(=O)CCOC(C)(C)C 34a_100000759926_100000210625 [1,1,0,0,0,0|2,0,0]=4 4411 B9R0.56 CC(=O)CCOC(C)(C)C 7a_100015890283_100000053229 [1,1,0,0,0,0|2,0,0]=4 4412 B9R0.56 CC(=O)CCSC(C)(C)C 62a_100000053229_100000211941 [1,1,0,0,0,0|2,0,0]=4 4413 B9R0.56 CC(=O)CCSC(C)(C)C 62a_100000211941_100000053229 [1,1,0,0,0,0|2,0,0]=4 4414 B9R0.56 CC(=O)COCC(C)(C)C 34a_100000211253_100011219605 [1,1,0,0,0,0|2,0,0]=4 4415 B9R0.56 CC(=O)COCC(C)(C)F 34a_100000211253_100011997219 [1,1,0,0,0,0|2,0,0]=4 4416 B9R0.56 CC(=O)COCC(C)(C)O 34a_100000211253_100000764493 [1,1,0,0,0,0|2,0,0]=4 4417 B9R0.56 CC(=O)NCCC(C)(C)C 11a_100000738805_100015343762 [1,1,0,0,0,0|1,0,0]=3 4418 B9R0.56 CC(=O)NCCC(C)(C)C 1626a_100000738805_100015343762 [1,1,0,0,0,0|1,0,0]=3 4419 B9R0.56 CC(=O)NCCC(C)(C)C 240690a_100000738805_100015343762 [1,1,0,0,0,0|1,0,0]=3 4420 B9R0.56 CC(=O)NCCC(C)(C)C 527a_100000738805_100103153847 [1,1,0,0,0,0|1,0,0]=3 4421 B9R0.56 CC(=O)NCCC(C)(C)F 11a_100016253952_100015343762 [1,1,0,0,0,0|1,0,0]=3 4422 B9R0.56 CC(=O)NCCC(C)(C)F 1626a_100016253952_100015343762 [1,1,0,0,0,0|1,0,0]=3 4423 B9R0.56 CC(=O)NCCC(C)(C)F 240690a_100016253952_100015343762 [1,1,0,0,0,0|1,0,0]=3 4424 B9R0.56 CC(=O)NCCC(C)(C)F 527a_100016253952_100103153847 [1,1,0,0,0,0|1,0,0]=3 4425 B9R0.56 CC(=O)NCCC(C)(C)O 1626a_100000707701_100015343762 [1,1,0,0,0,0|1,0,0]=3 4426 B9R0.56 CC(=O)NCCC(C)(C)O 527a_100000707701_100103153847 [1,1,0,0,0,0|1,0,0]=3 4427 B9R0.56 CC(=O)NCC[N+](C)(C)C 1626a_100000106457_100015343762 [1,1,0,0,0,0|2,0,0]=4 4428 B9R0.56 CC(=O)NCC[N+](C)(C)C 240690a_100000106457_100015343762 [1,1,0,0,0,0|2,0,0]=4 4429 B9R0.56 CC(=O)NCC[N+](C)(C)C 527a_100000106457_100103153847 [1,1,0,0,0,0|2,0,0]=4 4430 B9R0.56 CC(=O)OCOC(C)(C)C 34a_100015890283_100009813279 [1,1,0,0,0,0|1,0,0]=3 4431 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000076356_100000211941 [1,1,0,0,0,0|1,0,0]=3 4432 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000211941_100000076356 [1,1,0,0,0,0|1,0,0]=3 4433 B9R0.56 CC(C)CCNS(=O)(=O)C 40a_100000210545_100000738038 [1,1,0,0,0,0|2,0,0]=4 4434 B9R0.56 CC(C)CCOC(C)(C)C 34a_100000210254_100000210625 [1,1,0,0,0,0|1,0,1]=4 4435 B9R0.56 CC(C)CCOC(C)(C)C 34a_100015890283_100000210312 [1,1,0,0,0,0|1,0,1]=4 4436 B9R0.56 CC(C)CCOC(C)(C)C 7a_100015890283_100000210626 [1,1,0,0,0,0|1,0,1]=4 4437 B9R0.56 CC(C)OCCC(C)(C)C 34a_100000212225_100000755188 [1,1,0,0,0,0|1,0,1]=4 4438 B9R0.56 CC(C)OCCC(C)(C)C 7a_100000765024_100000210206 [1,1,0,0,0,0|1,0,1]=4 4439 B9R0.56 CC(C)OCCC(C)(C)O 34a_100000212225_100000702414 [1,1,0,0,0,0|1,0,1]=4 4440 B9R0.56 CN(C)CCOS(=O)(=O)C 2230a_100102631434_200000036756 [1,1,0,0,0,0|2,0,0]=4 4441 B9R0.56 CN(C)CCOS(=O)(=O)C 269982a_100102631434_200000036756 [1,1,0,0,0,0|2,0,0]=4 4442 B9R0.56 C[N+](C)(C)CCCC(=O)[13CH3] 1458a_100000085584_200025704644 [1,1,0,0,0,0|2,0,0]=4 4443 B9R0.21 C#CC(=O)CCC(C)(C)C 1458a_100000211873_100000755188 [0,1,0,0,1,0|0,0,2]=4 4444 B9R0.21 C=CC(=O)CCC(C)(C)C 1458a_100000185746_100000755188 [0,1,0,0,1,0|0,0,2]=4 4445 B9R0.21 CC(C)(C)CCC(=O)CF 1458a_100000757465_100015361967 [0,1,0,0,1,0|1,0,0]=3 4446 B9R0.21 CC(C)(C)CCC(=O)CO 1458a_100000210174_100000755188 [0,1,0,0,1,0|1,0,0]=3 4447 B9R0.21 CC(C)(C)CNC(=O)CO 240690a_100000743828_100000210174 [0,1,0,0,1,0|2,0,0]=4 4448 B9R0.21 CC(C)(C)CNC(=O)CO 527a_100000743828_100000210174 [0,1,0,0,1,0|2,0,0]=4 4449 B9R0.21 CC(C)(C)OCC(=O)CF 1458a_100000686494_100015361967 [0,1,0,0,1,0|2,0,0]=4 4450 B9R0.21 CC(C)(F)CNC(=O)CO 240690a_100020643315_100000210174 [0,1,0,0,1,0|2,0,0]=4 4451 B9R0.21 CC(C)(F)CNC(=O)CO 527a_100020643315_100000210174 [0,1,0,0,1,0|2,0,0]=4 4452 B9R0.21 CC(C)(O)CNC(=O)CO 240690a_100000751335_100000210174 [0,1,0,0,1,0|2,0,0]=4 4453 B9R0.21 CC(C)(O)CNC(=O)CO 527a_100000751335_100000210174 [0,1,0,0,1,0|2,0,0]=4 4454 B9R0.21 CC(F)(F)CCC(=O)CF 1458a_100000030992_100015361967 [0,1,0,0,1,0|2,0,0]=4 4455 B9R0.21 CCC(=O)C#CC(C)(C)C 1458a_100011966651_100000210202 [0,1,0,0,1,0|0,0,2]=4 4456 B9R0.21 CCC(=O)CCC(C)(C)C 1458a_100000210414_100000755188 [0,1,0,0,1,0|0,0,0]=2 4457 B9R0.21 CCC(=O)CCC(C)(C)C 1458a_100000757465_100000210202 [0,1,0,0,1,0|0,0,0]=2 4458 B9R0.21 CCC(=O)CCC(C)(F)F 1458a_100000030992_100000210202 [0,1,0,0,1,0|1,0,0]=3 4459 B9R0.21 CCC(=O)CCC(F)(F)F 1458a_100000210414_100011219754 [0,1,0,0,1,0|2,0,0]=4 4460 B9R0.21 CCC(=O)CCC(F)(F)F 1458a_100000755318_100000210202 [0,1,0,0,1,0|2,0,0]=4 4461 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000210414_100000731031 [0,1,0,0,1,0|2,0,0]=4 4462 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210202 [0,1,0,0,1,0|2,0,0]=4 4463 B9R0.21 CCC(=O)CC[N+](C)(C)C 1458a_100000210414_100000085578 [0,1,0,0,1,0|1,0,0]=3 4464 B9R0.21 CCC(=O)CC[Si](C)(C)C 1458a_100000210414_200000733723 [0,1,0,0,1,0|0,1,0]=3 4465 B9R0.21 CCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210202 [0,1,0,0,1,0|0,1,0]=3 4466 B9R0.21 CCC(=O)COC(C)(C)C 1458a_100000686494_100000210202 [0,1,0,0,1,0|1,0,0]=3 4467 B9R0.21 CCC(=O)COC(C)(C)C 34a_100000725409_100000210625 [0,1,0,0,1,0|1,0,0]=3 4468 B9R0.21 CCC(=O)COC(C)(C)C 7a_100015890283_100000747405 [0,1,0,0,1,0|1,0,0]=3 4469 B9R0.21 CCC(=O)CSC(C)(C)C 62a_100000211941_100000747405 [0,1,0,0,1,0|1,0,0]=3 4470 B9R0.21 CCC(=O)CSC(C)(C)C 62a_100000747405_100000211941 [0,1,0,0,1,0|1,0,0]=3 4471 B9R0.21 CCC(=O)NCC(C)(C)C 11a_100000743828_100000210414 [0,1,0,0,1,0|1,0,0]=3 4472 B9R0.21 CCC(=O)NCC(C)(C)C 1626a_100000743828_100000210414 [0,1,0,0,1,0|1,0,0]=3 4473 B9R0.21 CCC(=O)NCC(C)(C)C 240690a_100000743828_100000210414 [0,1,0,0,1,0|1,0,0]=3 4474 B9R0.21 CCC(=O)NCC(C)(C)C 527a_100000743828_100000210414 [0,1,0,0,1,0|1,0,0]=3 4475 B9R0.21 CCC(=O)NCC(C)(C)F 11a_100020643315_100000210414 [0,1,0,0,1,0|1,0,0]=3 4476 B9R0.21 CCC(=O)NCC(C)(C)F 1626a_100020643315_100000210414 [0,1,0,0,1,0|1,0,0]=3 4477 B9R0.21 CCC(=O)NCC(C)(C)F 240690a_100020643315_100000210414 [0,1,0,0,1,0|1,0,0]=3 4478 B9R0.21 CCC(=O)NCC(C)(C)F 527a_100020643315_100000210414 [0,1,0,0,1,0|1,0,0]=3 4479 B9R0.21 CCC(=O)NCC(C)(C)O 1626a_100000751335_100000210414 [0,1,0,0,1,0|1,0,0]=3 4480 B9R0.21 CCC(=O)NCC(C)(C)O 240690a_100000751335_100000210414 [0,1,0,0,1,0|1,0,0]=3 4481 B9R0.21 CCC(=O)NCC(C)(C)O 527a_100000751335_100000210414 [0,1,0,0,1,0|1,0,0]=3 4482 B9R0.21 CCC(=O)NCC(C)(F)F 11a_100000731000_100000210414 [0,1,0,0,1,0|2,0,0]=4 4483 B9R0.21 CCC(=O)NCC(C)(F)F 1626a_100000731000_100000210414 [0,1,0,0,1,0|2,0,0]=4 4484 B9R0.21 CCC(=O)NCC(C)(F)F 240690a_100000731000_100000210414 [0,1,0,0,1,0|2,0,0]=4 4485 B9R0.21 CCC(=O)NCC(C)(F)F 527a_100000731000_100000210414 [0,1,0,0,1,0|2,0,0]=4 4486 B9R0.21 CCC(=O)NC[Si](C)(C)C 11a_102516607284_100000210414 [0,1,0,0,1,0|1,1,0]=4 4487 B9R0.21 CCC(=O)NC[Si](C)(C)C 1626a_102516607284_100000210414 [0,1,0,0,1,0|1,1,0]=4 4488 B9R0.21 CCC(=O)NC[Si](C)(C)C 240690a_102516607284_100000210414 [0,1,0,0,1,0|1,1,0]=4 4489 B9R0.21 CCC(=O)NC[Si](C)(C)C 527a_102516607284_100000210414 [0,1,0,0,1,0|1,1,0]=4 4490 B9R0.21 CCC(=O)NNC(C)(C)C 22a_100000725372_100000210414 [0,1,0,0,1,0|2,0,0]=4 4491 B9R0.21 CCC(C)OCC(C)(C)F 34a_100000716592_100011215416 [0,1,0,0,1,0|1,0,1]=4 4492 B9R0.21 CCC(C)OCC(C)(C)O 7a_100000210228_100000764493 [0,1,0,0,1,0|1,0,1]=4 4493 B9R0.21 CCN(C)CCC(C)(C)C 2230a_100000225621_100000755188 [0,1,0,0,1,0|2,0,0]=4 4494 B9R0.21 CCN(C)CCC(C)(C)C 269982a_100000225621_100000755188 [0,1,0,0,1,0|2,0,0]=4 4495 B9R0.21 CCN(C)CCC(C)(C)O 2230a_100000225621_100000702414 [0,1,0,0,1,0|2,0,0]=4 4496 B9R0.21 CNC(=O)CCC(C)(C)C 11a_106832991635_100000757465 [0,1,0,0,1,0|1,0,0]=3 4497 B9R0.21 CNC(=O)CCC(C)(C)C 1626a_100102657272_100000757465 [0,1,0,0,1,0|1,0,0]=3 4498 B9R0.21 CNC(=O)CCC(C)(C)C 240690a_100102657272_100000757465 [0,1,0,0,1,0|1,0,0]=3 4499 B9R0.21 CNC(=O)CCC(C)(C)C 527a_100102657272_100000757465 [0,1,0,0,1,0|1,0,0]=3 4500 B9R0.21 CNC(=O)CCC(C)(F)F 11a_106832991635_100000030992 [0,1,0,0,1,0|2,0,0]=4 4501 B9R0.21 CNC(=O)CCC(C)(F)F 1626a_100102657272_100000030992 [0,1,0,0,1,0|2,0,0]=4 4502 B9R0.21 CNC(=O)CCC(C)(F)F 240690a_100102657272_100000030992 [0,1,0,0,1,0|2,0,0]=4 4503 B9R0.21 CNC(=O)CCC(C)(F)F 527a_100102657272_100000030992 [0,1,0,0,1,0|2,0,0]=4 4504 B9R0.21 CNC(=O)CC[Si](C)(C)C 1626a_100102657272_100011215282 [0,1,0,0,1,0|1,1,0]=4 4505 B9R0.21 CNC(=O)CC[Si](C)(C)C 240690a_100102657272_100011215282 [0,1,0,0,1,0|1,1,0]=4 4506 B9R0.21 CNC(=O)CC[Si](C)(C)C 527a_100102657272_100011215282 [0,1,0,0,1,0|1,1,0]=4 4507 B9R0.21 CNC(=O)CNC(C)(C)C 2230a_100000715429_100000183359 [0,1,0,0,1,0|2,0,0]=4 4508 B9R0.21 CNC(=O)COC(C)(C)C 11a_106832991635_100000686494 [0,1,0,0,1,0|2,0,0]=4 4509 B9R0.21 CNC(=O)COC(C)(C)C 1626a_100102657272_100000686494 [0,1,0,0,1,0|2,0,0]=4 4510 B9R0.21 CNC(=O)COC(C)(C)C 240690a_100102657272_100000686494 [0,1,0,0,1,0|2,0,0]=4 4511 B9R0.21 CNC(=O)COC(C)(C)C 34a_100000750040_100000210625 [0,1,0,0,1,0|2,0,0]=4 4512 B9R0.21 CNC(=O)COC(C)(C)C 34a_100015890283_100000183359 [0,1,0,0,1,0|2,0,0]=4 4513 B9R0.21 CNC(=O)COC(C)(C)C 527a_100102657272_100000686494 [0,1,0,0,1,0|2,0,0]=4 4514 B9R0.21 CNC(=O)COC(C)(C)C 7a_100015890283_100000183359 [0,1,0,0,1,0|2,0,0]=4 4515 B9R0.21 CNC(=O)CSC(C)(C)C 62a_100000183359_100000211941 [0,1,0,0,1,0|2,0,0]=4 4516 B9R0.21 CNC(=O)CSC(C)(C)C 62a_100000211941_100000183359 [0,1,0,0,1,0|2,0,0]=4 4517 B9R0.21 CNC(=O)NCC(C)(C)C 2708a_100000743828_106832991635 [0,1,0,0,1,0|2,0,0]=4 4518 B9R0.21 CNC(=O)NCC(C)(C)C 2708a_100102657272_100000743828 [0,1,0,0,1,0|2,0,0]=4 4519 B9R0.21 CNC(=O)NCC(C)(C)C 273464a_100000743828_100102657272 [0,1,0,0,1,0|2,0,0]=4 4520 B9R0.21 CNC(=O)NCC(C)(C)C 273464a_100102657272_100000743828 [0,1,0,0,1,0|2,0,0]=4 4521 B9R0.21 CNC(=O)NCC(C)(C)C 512a_100000743828_100102657272 [0,1,0,0,1,0|2,0,0]=4 4522 B9R0.21 CNC(=O)NCC(C)(C)C 512a_106832991638_100000743828 [0,1,0,0,1,0|2,0,0]=4 4523 B9R0.21 CNC(=O)NCC(C)(C)F 2708a_100020643315_106832991635 [0,1,0,0,1,0|2,0,0]=4 4524 B9R0.21 CNC(=O)NCC(C)(C)F 2708a_100102657272_100020643315 [0,1,0,0,1,0|2,0,0]=4 4525 B9R0.21 CNC(=O)NCC(C)(C)F 273464a_100020643315_100102657272 [0,1,0,0,1,0|2,0,0]=4 4526 B9R0.21 CNC(=O)NCC(C)(C)F 273464a_100102657272_100020643315 [0,1,0,0,1,0|2,0,0]=4 4527 B9R0.21 CNC(=O)NCC(C)(C)F 512a_100020643315_100102657272 [0,1,0,0,1,0|2,0,0]=4 4528 B9R0.21 CNC(=O)NCC(C)(C)F 512a_106832991638_100020643315 [0,1,0,0,1,0|2,0,0]=4 4529 B9R0.21 CNC(=O)NCC(C)(C)O 2708a_100102657272_100000751335 [0,1,0,0,1,0|2,0,0]=4 4530 B9R0.21 CNC(=O)NCC(C)(C)O 273464a_100102657272_100000751335 [0,1,0,0,1,0|2,0,0]=4 4531 B9R0.21 CNC(=O)NCC(C)(C)O 512a_100000751335_100102657272 [0,1,0,0,1,0|2,0,0]=4 4532 B9R0.21 CNC(=O)NCC(C)(C)O 512a_106832991638_100000751335 [0,1,0,0,1,0|2,0,0]=4 4533 B9R0.21 COC(=O)CNC(C)(C)C 2230a_100000715429_100000747449 [0,1,0,0,1,0|2,0,0]=4 4534 B9R0.21 COC(=O)COC(C)(C)C 34a_100015890283_100000747449 [0,1,0,0,1,0|2,0,0]=4 4535 B9R0.21 COC(=O)COC(C)(C)C 7a_100015890283_100000747449 [0,1,0,0,1,0|2,0,0]=4 4536 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000211941_100000747449 [0,1,0,0,1,0|2,0,0]=4 4537 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000747449_100000211941 [0,1,0,0,1,0|2,0,0]=4 4538 B9R0.21 C[N+](C)(C)CCC(=O)CO 1458a_100000210174_100000085578 [0,1,0,0,1,0|2,0,0]=4 4539 B9R0.21 C[Si](C)(C)CCC(=O)CF 1458a_100011215282_100015361967 [0,1,0,0,1,0|1,1,0]=4 4540 B9R0.21 C[Si](C)(C)CCC(=O)CO 1458a_100000210174_200000733723 [0,1,0,0,1,0|1,1,0]=4 4541 B9R0.23 C#CC(=O)C(C)CC(C)C 1458a_100000211873_100000731052 [0,1,0,0,1,0|0,0,2]=4 4542 B9R0.23 C=CC(=O)C(C)CC(C)C 1458a_100000185746_100000731052 [0,1,0,0,1,0|0,0,2]=4 4543 B9R0.23 CC(C)CC(C)C(=O)CO 1458a_100000210174_100000731052 [0,1,0,0,1,0|1,0,0]=3 4544 B9R0.23 CC(C)CN(C)C(=O)CO 240690a_100000747067_100000210174 [0,1,0,0,1,0|2,0,0]=4 4545 B9R0.23 CC(C)CN(C)C(=O)CO 527a_100000747067_100000210174 [0,1,0,0,1,0|2,0,0]=4 4546 B9R0.23 CC(C)C[C@H](O)C(=O)CF 1458a_100012027011_100015361967 [0,1,0,0,1,0|1,0,0]=3 4547 B9R0.23 CC(CN(C)C)C(=O)CF 1458a_200015186601_100015361967 [0,1,0,0,1,0|2,0,0]=4 4548 B9R0.23 CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210202 [0,1,0,0,1,0|1,0,1]=4 4549 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [0,1,0,0,1,0|0,0,0]=2 4550 B9R0.23 CCC(=O)C(C)CN(C)C 1458a_200015186601_100000210202 [0,1,0,0,1,0|1,0,0]=3 4551 B9R0.23 CCC(=O)C(C)NC(C)C 2230a_100138425928_100000742827 [0,1,0,0,1,0|1,0,0]=3 4552 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000210206_100000742827 [0,1,0,0,1,0|1,0,0]=3 4553 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000742827_100000210206 [0,1,0,0,1,0|1,0,0]=3 4554 B9R0.23 CCC(=O)N(C)CC(C)C 11a_100000747067_100000210414 [0,1,0,0,1,0|1,0,0]=3 4555 B9R0.23 CCC(=O)N(C)CC(C)C 1626a_100000747067_100000210414 [0,1,0,0,1,0|1,0,0]=3 4556 B9R0.23 CCC(=O)N(C)CC(C)C 240690a_100000747067_100000210414 [0,1,0,0,1,0|1,0,0]=3 4557 B9R0.23 CCC(=O)N(C)CC(C)C 527a_100000747067_100000210414 [0,1,0,0,1,0|1,0,0]=3 4558 B9R0.23 CCC(=O)N(C)CC(C)O 240690a_100000227577_100000210414 [0,1,0,0,1,0|2,0,0]=4 4559 B9R0.23 CCC(=O)N(C)CC(C)O 527a_100000227577_100000210414 [0,1,0,0,1,0|2,0,0]=4 4560 B9R0.23 CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210202 [0,1,0,0,1,0|0,0,0]=2 4561 B9R0.23 CCN(C)C(C)CC(C)C 2230a_100000225621_100000731052 [0,1,0,0,1,0|2,0,0]=4 4562 B9R0.23 CCN(C)C(C)CC(C)C 2230a_100000745462_100000210202 [0,1,0,0,1,0|2,0,0]=4 4563 B9R0.23 CCN(C)C(C)CC(C)C 269982a_100000225621_100000731052 [0,1,0,0,1,0|2,0,0]=4 4564 B9R0.23 CCN(C)C(C)CC(C)C 269982a_100000745462_100000204670 [0,1,0,0,1,0|2,0,0]=4 4565 B9R0.23 CNC(=O)C(=O)CC(C)C 1458a_100011218921_100000210624 [0,1,0,0,1,0|1,0,1]=4 4566 B9R0.23 CNC(=O)C(C)CN(C)C 1626a_100102657272_200015186601 [0,1,0,0,1,0|2,0,0]=4 4567 B9R0.23 CNC(=O)C(C)CN(C)C 240690a_100102657272_200015186601 [0,1,0,0,1,0|2,0,0]=4 4568 B9R0.23 CNC(=O)C(C)NC(C)C 2230a_100138425928_100000731044 [0,1,0,0,1,0|2,0,0]=4 4569 B9R0.23 CNC(=O)C(C)NC(C)C 34a_100138425928_100000731044 [0,1,0,0,1,0|2,0,0]=4 4570 B9R0.23 CNC(=O)C(C)OC(C)C 34a_100000212225_100000731044 [0,1,0,0,1,0|2,0,0]=4 4571 B9R0.23 CNC(=O)C(C)SC(C)C 62a_100000209862_100000210206 [0,1,0,0,1,0|2,0,0]=4 4572 B9R0.23 CNC(=O)C(C)SC(C)C 62a_100000210206_100000731044 [0,1,0,0,1,0|2,0,0]=4 4573 B9R0.23 CNC(=O)C(F)NC(C)C 2230a_100138425928_100009813575 [0,1,0,0,1,0|2,0,0]=4 4574 B9R0.23 CNC(=O)C(F)NC(C)C 34a_100138425928_100009813575 [0,1,0,0,1,0|2,0,0]=4 4575 B9R0.23 CNC(=O)C(F)OC(C)C 34a_100000212225_100009813575 [0,1,0,0,1,0|2,0,0]=4 4576 B9R0.23 CNC(=O)C(F)SC(C)C 62a_100000210206_100009813575 [0,1,0,0,1,0|2,0,0]=4 4577 B9R0.23 CNC(=O)C(F)SC(C)C 62a_100009813575_100000210206 [0,1,0,0,1,0|2,0,0]=4 4578 B9R0.23 CNC(=O)N(C)CC(C)C 2708a_100102657272_100000747067 [0,1,0,0,1,0|2,0,0]=4 4579 B9R0.23 CNC(=O)N(C)CC(C)C 273464a_100102657272_100000747067 [0,1,0,0,1,0|2,0,0]=4 4580 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 2230a_100000684985_100000210206 [0,1,0,0,1,0|2,0,0]=4 4581 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 34a_100000684985_100000210206 [0,1,0,0,1,0|2,0,0]=4 4582 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 1626a_100102657272_100012027011 [0,1,0,0,1,0|1,0,0]=3 4583 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 240690a_100102657272_100012027011 [0,1,0,0,1,0|1,0,0]=3 4584 B9R0.23 COC(=O)C(C)CN(C)C 269982a_100102631434_100000698445 [0,1,0,0,1,0|2,0,0]=4 4585 B9R0.23 COC(=O)C(C)NC(C)C 2230a_100138425928_100000211248 [0,1,0,0,1,0|2,0,0]=4 4586 B9R0.23 COC(=O)C(C)NC(C)C 34a_100138425928_100000211248 [0,1,0,0,1,0|2,0,0]=4 4587 B9R0.23 COC(=O)C(C)OC(C)C 34a_100000212225_100000211248 [0,1,0,0,1,0|2,0,0]=4 4588 B9R0.23 COC(=O)C(C)OC(C)C 34a_100011215400_100000210206 [0,1,0,0,1,0|2,0,0]=4 4589 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000210206_100000211248 [0,1,0,0,1,0|2,0,0]=4 4590 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000211248_100000210206 [0,1,0,0,1,0|2,0,0]=4 4591 B9R0.42 CC(C)C(=O)CC(=O)CO 1458a_100000210174_100000753385 [0,1,0,0,1,0|1,0,1]=4 4592 B9R0.42 CC(C)C(C)NC(=O)CO 240690a_100000211541_100000210174 [0,1,0,0,1,0|2,0,0]=4 4593 B9R0.42 CC(C)C(C)NC(=O)CO 527a_100000211541_100000210174 [0,1,0,0,1,0|2,0,0]=4 4594 B9R0.42 CC(C)N(C)CC(=O)CF 1458a_100000743827_100015361967 [0,1,0,0,1,0|2,0,0]=4 4595 B9R0.42 CC(CC(=O)CF)N(C)C 1458a_100011311895_100015361967 [0,1,0,0,1,0|2,0,0]=4 4596 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747405 [0,1,0,0,1,0|0,0,1]=3 4597 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210414_100000753385 [0,1,0,0,1,0|0,0,1]=3 4598 B9R0.42 CCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747405 [0,1,0,0,1,0|1,0,1]=4 4599 B9R0.42 CCC(=O)CC(=O)N(C)C 1458a_100000210414_100000185267 [0,1,0,0,1,0|1,0,1]=4 4600 B9R0.42 CCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747405 [0,1,0,0,1,0|1,0,1]=4 4601 B9R0.42 CCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747405 [0,1,0,0,1,0|1,0,1]=4 4602 B9R0.42 CCC(=O)CC(C)N(C)C 1458a_100011311895_100000210202 [0,1,0,0,1,0|1,0,0]=3 4603 B9R0.42 CCC(=O)CN(C)C(C)C 1458a_100000743827_100000210202 [0,1,0,0,1,0|1,0,0]=3 4604 B9R0.42 CCC(=O)CN(C)C(C)C 269982a_200000211004_100000747405 [0,1,0,0,1,0|1,0,0]=3 4605 B9R0.42 CCC(=O)NC(C)C(C)C 11a_100000211541_100000210414 [0,1,0,0,1,0|1,0,0]=3 4606 B9R0.42 CCC(=O)NC(C)C(C)C 1626a_100000211541_100000210414 [0,1,0,0,1,0|1,0,0]=3 4607 B9R0.42 CCC(=O)NC(C)C(C)C 240690a_100000211541_100000210414 [0,1,0,0,1,0|1,0,0]=3 4608 B9R0.42 CCC(=O)NC(C)C(C)C 527a_100000211541_100000210414 [0,1,0,0,1,0|1,0,0]=3 4609 B9R0.42 CCC(C)OC(C)C(C)C 7a_100000748068_100000758301 [0,1,0,0,1,0|1,0,1]=4 4610 B9R0.42 CNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183359 [0,1,0,0,1,0|1,0,1]=4 4611 B9R0.42 CNC(=O)CC(C)N(C)C 1626a_100102657272_100011311895 [0,1,0,0,1,0|2,0,0]=4 4612 B9R0.42 CNC(=O)CC(C)N(C)C 2230a_100015186911_200000210301 [0,1,0,0,1,0|2,0,0]=4 4613 B9R0.42 CNC(=O)CC(C)N(C)C 240690a_100102657272_100011311895 [0,1,0,0,1,0|2,0,0]=4 4614 B9R0.42 CNC(=O)CC(C)N(C)C 269982a_100015186911_200000210301 [0,1,0,0,1,0|2,0,0]=4 4615 B9R0.42 CNC(=O)CC(C)N(C)[13CH3] 2230a_100015186911_200025704644 [0,1,0,0,1,0|2,0,0]=4 4616 B9R0.42 CNC(=O)CC(C)N(C)[13CH3] 269982a_100015186911_200025704644 [0,1,0,0,1,0|2,0,0]=4 4617 B9R0.42 CNC(=O)CN(C)C(C)C 11a_106832991635_100000743827 [0,1,0,0,1,0|2,0,0]=4 4618 B9R0.42 CNC(=O)CN(C)C(C)C 1626a_100102657272_100000743827 [0,1,0,0,1,0|2,0,0]=4 4619 B9R0.42 CNC(=O)CN(C)C(C)C 2230a_100000189611_100000210206 [0,1,0,0,1,0|2,0,0]=4 4620 B9R0.42 CNC(=O)CN(C)C(C)C 240690a_100102657272_100000743827 [0,1,0,0,1,0|2,0,0]=4 4621 B9R0.42 CNC(=O)CN(C)C(C)C 269982a_200000211004_100000183359 [0,1,0,0,1,0|2,0,0]=4 4622 B9R0.42 CNC(=O)CN(C)C(C)C 527a_100102657272_100000743827 [0,1,0,0,1,0|2,0,0]=4 4623 B9R0.42 CNC(=O)NC(C)C(C)C 2708a_100000211541_106832991635 [0,1,0,0,1,0|2,0,0]=4 4624 B9R0.42 CNC(=O)NC(C)C(C)C 2708a_100102657272_100000211541 [0,1,0,0,1,0|2,0,0]=4 4625 B9R0.42 CNC(=O)NC(C)C(C)C 273464a_100000211541_100102657272 [0,1,0,0,1,0|2,0,0]=4 4626 B9R0.42 CNC(=O)NC(C)C(C)C 273464a_100102657272_100000211541 [0,1,0,0,1,0|2,0,0]=4 4627 B9R0.42 CNC(=O)NC(C)C(C)C 512a_100000211541_100102657272 [0,1,0,0,1,0|2,0,0]=4 4628 B9R0.42 CNC(=O)NC(C)C(C)C 512a_106832991638_100000211541 [0,1,0,0,1,0|2,0,0]=4 4629 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000210198_100000747449 [0,1,0,0,1,0|1,0,1]=4 4630 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000211351_100000210206 [0,1,0,0,1,0|1,0,1]=4 4631 B9R0.42 COC(=O)CC(C)N(C)C 2230a_100102631434_100009817358 [0,1,0,0,1,0|2,0,0]=4 4632 B9R0.42 COC(=O)CC(C)N(C)C 269982a_100102631434_100009817358 [0,1,0,0,1,0|2,0,0]=4 4633 B9R0.42 COC(=O)CN(C)C(C)C 2230a_100000198492_100000210206 [0,1,0,0,1,0|2,0,0]=4 4634 B9R0.42 COC(=O)CN(C)C(C)C 269982a_200000211004_100000747449 [0,1,0,0,1,0|2,0,0]=4 4635 B9R0.43 C#CC(CC)OCC(C)C 34a_100000758843_100000210624 [0,1,0,0,1,0|1,0,1]=4 4636 B9R0.43 C#CC(CC)OCC(C)C 7a_100000758843_100000210760 [0,1,0,0,1,0|1,0,1]=4 4637 B9R0.43 C=CC(CC)OCC(C)C 34a_100000766422_100000210624 [0,1,0,0,1,0|1,0,1]=4 4638 B9R0.43 C=CC(CC)OCC(C)C 7a_100000766422_100000210760 [0,1,0,0,1,0|1,0,1]=4 4639 B9R0.43 CCC(CC)OCC(C)C 7a_100000688536_100000210760 [0,1,0,0,1,0|1,0,1]=4 4640 B9R0.43 CCC(CCC(C)C)OC 34a_100011216567_200000210301 [0,1,0,0,1,0|0,0,2]=4 4641 B9R0.43 CCC(CCC(C)C)OC 7a_100011216567_200000210301 [0,1,0,0,1,0|0,0,2]=4 4642 B9R0.43 CCC(CCC(C)C)O[13CH3] 34a_100011216567_200025704644 [0,1,0,0,1,0|0,0,2]=4 4643 B9R0.43 CCC(CCC(C)C)O[13CH3] 7a_100011216567_200025704644 [0,1,0,0,1,0|0,0,2]=4 4644 B9R0.43 CCN(CC)CCC(C)C 2230a_100000207693_100000210202 [0,1,0,0,1,0|2,0,0]=4 4645 B9R0.43 CCN(CC)CCC(C)C 2230a_100000724800_100000210312 [0,1,0,0,1,0|2,0,0]=4 4646 B9R0.43 CCN(CC)CCC(C)C 269956a_100000042499_100000210312 [0,1,0,0,1,0|2,0,0]=4 4647 B9R0.43 CCN(CC)CCC(C)C 269982a_100000207693_100000204670 [0,1,0,0,1,0|2,0,0]=4 4648 B9R0.43 CCN(CC)CCC(C)C 269982a_100000724800_100000210312 [0,1,0,0,1,0|2,0,0]=4 4649 B9R0.43 CCN(CF)CCC(C)C 269982a_100000207693_100015361967 [0,1,0,0,1,0|2,0,0]=4 4650 B9R0.64 CCC(C)(C)OCC(C)C 7a_100000210230_100000210760 [0,1,0,0,1,0|1,0,1]=4 4651 B9R0.64 CCS(=O)(=O)CCN(C)C 2230a_100000694288_200000210301 [0,1,0,0,1,0|2,0,0]=4 4652 B9R0.64 CCS(=O)(=O)CCN(C)C 2230a_100102631434_100000756660 [0,1,0,0,1,0|2,0,0]=4 4653 B9R0.64 CCS(=O)(=O)CCN(C)C 269982a_100000694288_200000210301 [0,1,0,0,1,0|2,0,0]=4 4654 B9R0.64 CCS(=O)(=O)CCN(C)C 269982a_100102631434_100000756660 [0,1,0,0,1,0|2,0,0]=4 4655 B9R0.64 CCS(=O)(=O)CCN(C)C 34a_100000694288_200000210301 [0,1,0,0,1,0|2,0,0]=4 4656 B9R0.64 CCS(=O)(=O)CCN(C)[13CH3] 2230a_100000694288_200025704644 [0,1,0,0,1,0|2,0,0]=4 4657 B9R0.64 CCS(=O)(=O)CCN(C)[13CH3] 269982a_100000694288_200025704644 [0,1,0,0,1,0|2,0,0]=4 4658 B9R0.64 CCS(=O)(=O)CCN(C)[13CH3] 34a_100000694288_200025704644 [0,1,0,0,1,0|2,0,0]=4 4659 B9R0.64 CCS(=O)(=O)NCC(C)C 270084a_100000210953_100000211323 [0,1,0,0,1,0|2,0,0]=4 4660 B9R0.64 CCS(=O)(=O)NCC(C)C 274078a_100000210953_100000211323 [0,1,0,0,1,0|2,0,0]=4 4661 B9R0.64 CCS(=O)(=O)NCC(C)C 40a_100000210953_100000053943 [0,1,0,0,1,0|2,0,0]=4 4662 B9R0.64 CNS(=O)(=O)CCC(C)C 270084a_100102657272_100000750698 [0,1,0,0,1,0|2,0,0]=4 4663 B9R0.64 CNS(=O)(=O)CCC(C)C 274078a_100102657272_100000750698 [0,1,0,0,1,0|2,0,0]=4 4664 B11R0.22 C#CC(CC)OCCCC(C)C 34a_100000758843_100011214892 [0,1,0,0,0,1|1,0,1]=4 4665 B11R0.22 C#CC(CC)OCCCC(C)C 7a_100000758843_100011214892 [0,1,0,0,0,1|1,0,1]=4 4666 B11R0.22 C#CC(CC)OCCOC(C)C 34a_100000758843_100000211751 [0,1,0,0,0,1|1,0,1]=4 4667 B11R0.22 C#CC(CC)OCCOC(C)C 7a_100000758843_100000211751 [0,1,0,0,0,1|1,0,1]=4 4668 B11R0.22 C#CC(CC)OCCSC(C)C 34a_100000758843_100000730970 [0,1,0,0,0,1|1,0,1]=4 4669 B11R0.22 C#CC(CC)OCCSC(C)C 7a_100000758843_100000730970 [0,1,0,0,0,1|1,0,1]=4 4670 B11R0.22 C=CC(CC)OCCCC(C)C 34a_100000766422_100011214892 [0,1,0,0,0,1|1,0,1]=4 4671 B11R0.22 C=CC(CC)OCCCC(C)C 7a_100000766422_100011214892 [0,1,0,0,0,1|1,0,1]=4 4672 B11R0.22 C=CC(CC)OCCOC(C)C 34a_100000766422_100000211751 [0,1,0,0,0,1|1,0,1]=4 4673 B11R0.22 C=CC(CC)OCCOC(C)C 7a_100000766422_100000211751 [0,1,0,0,0,1|1,0,1]=4 4674 B11R0.22 C=CC(CC)OCCSC(C)C 34a_100000766422_100000730970 [0,1,0,0,0,1|1,0,1]=4 4675 B11R0.22 C=CC(CC)OCCSC(C)C 7a_100000766422_100000730970 [0,1,0,0,0,1|1,0,1]=4 4676 B11R0.22 CCC(CC)COCCC(C)C 34a_100000210254_100011215472 [0,1,0,0,0,1|1,0,1]=4 4677 B11R0.22 CCC(CC)COCCC(C)C 7a_100000210254_100011215472 [0,1,0,0,0,1|1,0,1]=4 4678 B11R0.22 CCC(CC)COCCC(C)C 7a_100000703878_100000210626 [0,1,0,0,0,1|1,0,1]=4 4679 B11R0.22 CCC(CC)OCCCC(C)C 7a_100000210774_100000210505 [0,1,0,0,0,1|1,0,1]=4 4680 B11R0.22 CCC(CC)OCCCC(C)C 7a_100000688536_100011214892 [0,1,0,0,0,1|1,0,1]=4 4681 B11R0.22 CCC(CC)OCCOC(C)C 7a_100000211219_100000210505 [0,1,0,0,0,1|1,0,1]=4 4682 B11R0.22 CCC(CC)OCCOC(C)C 7a_100000688536_100000211751 [0,1,0,0,0,1|1,0,1]=4 4683 B11R0.22 CCC(CC)OCCSC(C)C 7a_100000688536_100000730970 [0,1,0,0,0,1|1,0,1]=4 4684 B11R0.22 CCC(CC)OCCSC(C)C 7a_200011212901_100000210505 [0,1,0,0,0,1|1,0,1]=4 4685 B11R0.22 CCC(COCCC(C)C)OC 34a_100011934954_100000210312 [0,1,0,0,0,1|0,0,2]=4 4686 B11R0.22 CCC(COCCC(C)C)OC 7a_100011934954_100000210626 [0,1,0,0,0,1|0,0,2]=4 4687 B11R0.22 CCN(CC)COCCC(C)C 7a_200015374951_100000210626 [0,1,0,0,0,1|2,0,0]=4 4688 B11R0.29 C=C(C)C(=O)CCCCC(C)C 1458a_100000185857_100011216152 [0,1,0,0,0,1|1,0,1]=4 4689 B11R0.29 C=C(C)C(=O)NCCCC(C)C 11a_200000737386_100000185857 [0,1,0,0,0,1|1,0,1]=4 4690 B11R0.29 C=C(C)C(=O)NCCCC(C)C 1626a_200000737386_100000185857 [0,1,0,0,0,1|1,0,1]=4 4691 B11R0.29 C=C(C)C(=O)NCCNC(C)C 2230a_100102636416_100000210206 [0,1,0,0,0,1|1,0,1]=4 4692 B11R0.29 C=C(C)C(=O)NCCOC(C)C 11a_100000701111_100000185857 [0,1,0,0,0,1|1,0,1]=4 4693 B11R0.29 C=C(C)C(=O)NCCOC(C)C 1626a_100000701111_100000185857 [0,1,0,0,0,1|1,0,1]=4 4694 B11R0.29 C=C(C)C(=O)NCCSC(C)C 11a_100000731138_100000185857 [0,1,0,0,0,1|1,0,1]=4 4695 B11R0.29 C=C(C)C(=O)NCCSC(C)C 1626a_100000731138_100000185857 [0,1,0,0,0,1|1,0,1]=4 4696 B11R0.29 C=C(C)C(=O)OCCNC(C)C 2230a_100138425928_100009816335 [0,1,0,0,0,1|0,0,1]=3 4697 B11R0.29 C=C(C)C(=O)OCCNC(C)C 34a_100138425928_100009816335 [0,1,0,0,0,1|0,0,1]=3 4698 B11R0.29 C=C(C)C(=O)OCCOC(C)C 34a_100000212225_100009816335 [0,1,0,0,0,1|0,0,1]=3 4699 B11R0.29 C=C(C)C(=O)OCCSC(C)C 62a_100000210206_100009816335 [0,1,0,0,0,1|0,0,1]=3 4700 B11R0.29 C=C(C)C(=O)OCCSC(C)C 62a_100009816335_100000210206 [0,1,0,0,0,1|0,0,1]=3 4701 B11R0.29 C=C(C)CCOCC(=O)C(C)C 34a_100000764851_100000753385 [0,1,0,0,0,1|0,0,2]=4 4702 B11R0.29 C=C(C)CSCOC(=O)C(C)C 62a_100000139345_100000211660 [0,1,0,0,0,1|0,0,2]=4 4703 B11R0.29 C=C(C)CSCOC(=O)C(C)C 62a_100000748629_100000139345 [0,1,0,0,0,1|0,0,2]=4 4704 B11R0.29 CC(=CCOCC(=O)C(C)C)C 34a_100000753907_100000753385 [0,1,0,0,0,1|0,0,2]=4 4705 B11R0.29 CC(=O)C(=O)COCCC(C)Br 34a_100009893172_100011261029 [0,1,0,0,0,1|1,0,1]=4 4706 B11R0.29 CC(=O)C(=O)COCCC(C)C 34a_100000210254_100011261029 [0,1,0,0,0,1|0,0,1]=3 4707 B11R0.29 CC(=O)C(=O)COCC[C@@H](C)N 34a_100000706166_100011261029 [0,1,0,0,0,1|1,0,1]=4 4708 B11R0.29 CC(=O)C(=O)CSCCC(C)C 62a_100000210312_100011261029 [0,1,0,0,0,1|0,1,1]=4 4709 B11R0.29 CC(=O)C(=O)CSCCC(C)C 62a_100011261029_100000210312 [0,1,0,0,0,1|0,1,1]=4 4710 B11R0.29 CC(=O)CCOCC(=O)C(C)C 34a_100000759926_100000753385 [0,1,0,0,0,1|1,0,1]=4 4711 B11R0.29 CC(=O)CCOCC(=O)C(C)C 7a_100000759926_100000753385 [0,1,0,0,0,1|1,0,1]=4 4712 B11R0.29 CC(Br)CCOCC(=O)C(C)C 34a_100009893172_100000753385 [0,1,0,0,0,1|1,0,0]=3 4713 B11R0.29 CC(Br)CCOCC(=O)N(C)C 34a_100009893172_100000692301 [0,1,0,0,0,1|2,0,0]=4 4714 B11R0.29 CC(C)C(=O)COCCC(F)F 34a_100103093639_100000753385 [0,1,0,0,0,1|2,0,0]=4 4715 B11R0.29 CC(C)C(=O)COCC[C@@H](C)N 34a_100000706166_100000753385 [0,1,0,0,0,1|1,0,0]=3 4716 B11R0.29 CC(C)C(=O)CSCCN(C)C 62a_100000753385_100000755713 [0,1,0,0,0,1|1,1,0]=4 4717 B11R0.29 CC(C)C(=O)NCCCN(C)C 240690a_102531767803_100000210198 [0,1,0,0,0,1|2,0,0]=4 4718 B11R0.29 CC(C)C(=O)NCCCN(C)C 527a_102531767803_100000210198 [0,1,0,0,0,1|2,0,0]=4 4719 B11R0.29 CC(C)C(=O)NNCCN(C)C 22a_100000738145_100000210198 [0,1,0,0,0,1|2,0,0]=4 4720 B11R0.29 CC(C)C(=O)OCSCC(F)F 62a_100000139345_100011934356 [0,1,0,0,0,1|2,0,0]=4 4721 B11R0.29 CC(C)C(=O)OCSCC(F)F 62a_100011934356_100000139345 [0,1,0,0,0,1|2,0,0]=4 4722 B11R0.29 CC(C)C(=O)OCSC[C@@H](C)O 62a_100000139345_100009817552 [0,1,0,0,0,1|1,0,0]=3 4723 B11R0.29 CC(C)C(=O)OCSC[C@@H](C)O 62a_100009817552_100000139345 [0,1,0,0,0,1|1,0,0]=3 4724 B11R0.29 CC(C)CC=NNC(=O)C(C)C 4a_100000184118_100000185833 [0,1,0,0,0,1|1,0,1]=4 4725 B11R0.29 CC(C)CCCCC(=O)C(C)C 1458a_100000210198_100011216152 [0,1,0,0,0,1|1,0,0]=3 4726 B11R0.29 CC(C)CCCCC(=O)C(C)C 1458a_100011933920_100000210206 [0,1,0,0,0,1|1,0,0]=3 4727 B11R0.29 CC(C)CCCCC(=O)C(C)F 1458a_100000062450_100011216152 [0,1,0,0,0,1|1,0,0]=3 4728 B11R0.29 CC(C)CCCCC(=O)C(O)O 1458a_100000233687_100011216152 [0,1,0,0,0,1|2,0,0]=4 4729 B11R0.29 CC(C)CCCCC(=O)N(C)C 11a_100102631434_100011933920 [0,1,0,0,0,1|2,0,0]=4 4730 B11R0.29 CC(C)CCCCC(=O)N(C)C 1626a_100102631434_100011933920 [0,1,0,0,0,1|2,0,0]=4 4731 B11R0.29 CC(C)CCCCC(=O)N(C)C 240690a_100102631434_100011933920 [0,1,0,0,0,1|2,0,0]=4 4732 B11R0.29 CC(C)CCCCC(=O)N(C)C 527a_100102631434_100011933920 [0,1,0,0,0,1|2,0,0]=4 4733 B11R0.29 CC(C)CCCCC(=O)[C@@H](C)O 1458a_100000717761_100011216152 [0,1,0,0,0,1|1,0,0]=3 4734 B11R0.29 CC(C)CCCCC(=O)[C@H](C)O 1458a_217856618621_100011216152 [0,1,0,0,0,1|1,0,0]=3 4735 B11R0.29 CC(C)CCCNC(=O)C(C)C 11a_200000737386_100000210198 [0,1,0,0,0,1|1,0,0]=3 4736 B11R0.29 CC(C)CCCNC(=O)C(C)C 1626a_200000737386_100000210198 [0,1,0,0,0,1|1,0,0]=3 4737 B11R0.29 CC(C)CCCNC(=O)C(C)C 240690a_200000737386_100000210198 [0,1,0,0,0,1|1,0,0]=3 4738 B11R0.29 CC(C)CCCNC(=O)C(C)C 527a_200000737386_100000210198 [0,1,0,0,0,1|1,0,0]=3 4739 B11R0.29 CC(C)CCCNC(=O)C(C)F 11a_200000737386_100000062450 [0,1,0,0,0,1|1,0,0]=3 4740 B11R0.29 CC(C)CCCNC(=O)C(C)F 1626a_200000737386_100000062450 [0,1,0,0,0,1|1,0,0]=3 4741 B11R0.29 CC(C)CCCNC(=O)C(C)F 240690a_200000737386_100000062450 [0,1,0,0,0,1|1,0,0]=3 4742 B11R0.29 CC(C)CCCNC(=O)C(C)F 527a_200000737386_100000062450 [0,1,0,0,0,1|1,0,0]=3 4743 B11R0.29 CC(C)CCCNC(=O)C(F)F 11a_200000737386_100000210393 [0,1,0,0,0,1|2,0,0]=4 4744 B11R0.29 CC(C)CCCNC(=O)C(F)F 1626a_200000737386_100000210393 [0,1,0,0,0,1|2,0,0]=4 4745 B11R0.29 CC(C)CCCNC(=O)C(F)F 240690a_200000737386_100000210393 [0,1,0,0,0,1|2,0,0]=4 4746 B11R0.29 CC(C)CCCNC(=O)C(F)F 527a_200000737386_100000210393 [0,1,0,0,0,1|2,0,0]=4 4747 B11R0.29 CC(C)CCCNC(=O)C(O)O 240690a_200000737386_100000233687 [0,1,0,0,0,1|2,0,0]=4 4748 B11R0.29 CC(C)CCCNC(=O)N(C)C 2708a_200000737386_100102631434 [0,1,0,0,0,1|2,0,0]=4 4749 B11R0.29 CC(C)CCCNC(=O)[C@@H](C)O 240690a_200000737386_100000717761 [0,1,0,0,0,1|1,0,0]=3 4750 B11R0.29 CC(C)CCCNC(=O)[C@H](C)O 1626a_200000737386_217856618621 [0,1,0,0,0,1|1,0,0]=3 4751 B11R0.29 CC(C)CCCNC(=O)[C@H](C)O 240690a_200000737386_217856618621 [0,1,0,0,0,1|1,0,0]=3 4752 B11R0.29 CC(C)CCCOC(C)C(C)C 7a_100000748068_100011214892 [0,1,0,0,0,1|1,0,1]=4 4753 B11R0.29 CC(C)CCNCC(=O)N(C)C 2230a_100015183351_100000210312 [0,1,0,0,0,1|2,0,0]=4 4754 B11R0.29 CC(C)CCOCC(=O)C(C)C 34a_100000210254_100000753385 [0,1,0,0,0,1|0,0,0]=2 4755 B11R0.29 CC(C)CCOCC(=O)C(C)C 7a_100000210254_100000753385 [0,1,0,0,0,1|0,0,0]=2 4756 B11R0.29 CC(C)CCOCC(=O)N(C)C 34a_100000210254_100000692301 [0,1,0,0,0,1|1,0,0]=3 4757 B11R0.29 CC(C)CCOCC(=O)N(C)C 7a_100000210254_100000692301 [0,1,0,0,0,1|1,0,0]=3 4758 B11R0.29 CC(C)CCOC[C@H](N)C(C)C 34a_100011830312_100000210312 [0,1,0,0,0,1|1,0,1]=4 4759 B11R0.29 CC(C)CCSCC(=O)C(C)C 62a_100000210312_100000753385 [0,1,0,0,0,1|0,1,0]=3 4760 B11R0.29 CC(C)CCSCC(=O)C(C)C 62a_100000753385_100000210312 [0,1,0,0,0,1|0,1,0]=3 4761 B11R0.29 CC(C)CCSCC(=O)N(C)C 62a_100000210312_100000692301 [0,1,0,0,0,1|1,1,0]=4 4762 B11R0.29 CC(C)CCSCC(=O)N(C)C 62a_100000692301_100000210312 [0,1,0,0,0,1|1,1,0]=4 4763 B11R0.29 CC(C)CNCCC(=O)N(C)C 2230a_100000210953_100000737620 [0,1,0,0,0,1|2,0,0]=4 4764 B11R0.29 CC(C)CNCCC(=O)N(C)C 2230a_100000738053_100000210760 [0,1,0,0,0,1|2,0,0]=4 4765 B11R0.29 CC(C)CNCCC(=O)N(C)C 270004a_100000738053_100000210432 [0,1,0,0,0,1|2,0,0]=4 4766 B11R0.29 CC(C)COCCC(=O)N(C)C 34a_200000747469_100000210624 [0,1,0,0,0,1|2,0,0]=4 4767 B11R0.29 CC(C)CSCCC(=O)N(C)C 62a_100000210624_100000737620 [0,1,0,0,0,1|2,0,0]=4 4768 B11R0.29 CC(C)CSCCC(=O)N(C)C 62a_100000737620_100000210760 [0,1,0,0,0,1|2,0,0]=4 4769 B11R0.29 CC(C)CSCOC(=O)C(C)C 62a_100000139345_100000210760 [0,1,0,0,0,1|0,0,0]=2 4770 B11R0.29 CC(C)CSCOC(=O)C(C)C 62a_100000210624_100000139345 [0,1,0,0,0,1|0,0,0]=2 4771 B11R0.29 CC(C)NCCCC(=O)N(C)C 2230a_100138425928_100000737642 [0,1,0,0,0,1|2,0,0]=4 4772 B11R0.29 CC(C)NCCCC(=O)N(C)C 2230a_200000744827_100000210206 [0,1,0,0,0,1|2,0,0]=4 4773 B11R0.29 CC(C)NCCNC(=O)C(C)C 2230a_100000752568_100000210206 [0,1,0,0,0,1|1,0,0]=3 4774 B11R0.29 CC(C)NCCNC(=O)C(C)C 34a_100000752568_100000210206 [0,1,0,0,0,1|1,0,0]=3 4775 B11R0.29 CC(C)OCCNC(=O)C(C)C 11a_100000701111_100000210198 [0,1,0,0,0,1|1,0,0]=3 4776 B11R0.29 CC(C)OCCNC(=O)C(C)C 1626a_100000701111_100000210198 [0,1,0,0,0,1|1,0,0]=3 4777 B11R0.29 CC(C)OCCNC(=O)C(C)C 240690a_100000701111_100000210198 [0,1,0,0,0,1|1,0,0]=3 4778 B11R0.29 CC(C)OCCNC(=O)C(C)C 527a_100000701111_100000210198 [0,1,0,0,0,1|1,0,0]=3 4779 B11R0.29 CC(C)OCCNC(=O)C(C)F 11a_100000701111_100000062450 [0,1,0,0,0,1|1,0,0]=3 4780 B11R0.29 CC(C)OCCNC(=O)C(C)F 1626a_100000701111_100000062450 [0,1,0,0,0,1|1,0,0]=3 4781 B11R0.29 CC(C)OCCNC(=O)C(C)F 240690a_100000701111_100000062450 [0,1,0,0,0,1|1,0,0]=3 4782 B11R0.29 CC(C)OCCNC(=O)C(C)F 527a_100000701111_100000062450 [0,1,0,0,0,1|1,0,0]=3 4783 B11R0.29 CC(C)OCCNC(=O)C(F)F 11a_100000701111_100000210393 [0,1,0,0,0,1|2,0,0]=4 4784 B11R0.29 CC(C)OCCNC(=O)C(F)F 1626a_100000701111_100000210393 [0,1,0,0,0,1|2,0,0]=4 4785 B11R0.29 CC(C)OCCNC(=O)C(F)F 240690a_100000701111_100000210393 [0,1,0,0,0,1|2,0,0]=4 4786 B11R0.29 CC(C)OCCNC(=O)C(F)F 527a_100000701111_100000210393 [0,1,0,0,0,1|2,0,0]=4 4787 B11R0.29 CC(C)OCCNC(=O)C(O)O 240690a_100000701111_100000233687 [0,1,0,0,0,1|2,0,0]=4 4788 B11R0.29 CC(C)OCCNC(=O)N(C)C 2708a_100000701111_100102631434 [0,1,0,0,0,1|2,0,0]=4 4789 B11R0.29 CC(C)OCCNC(=O)[C@@H](C)O 240690a_100000701111_100000717761 [0,1,0,0,0,1|1,0,0]=3 4790 B11R0.29 CC(C)OCCNC(=O)[C@H](C)O 1626a_100000701111_217856618621 [0,1,0,0,0,1|1,0,0]=3 4791 B11R0.29 CC(C)OCCNC(=O)[C@H](C)O 240690a_100000701111_217856618621 [0,1,0,0,0,1|1,0,0]=3 4792 B11R0.29 CC(C)OCCOC(C)C(C)C 7a_100000748068_100000211751 [0,1,0,0,0,1|1,0,1]=4 4793 B11R0.29 CC(C)OCSCC(=O)C(C)C 62a_100000709892_100000753385 [0,1,0,0,0,1|1,1,0]=4 4794 B11R0.29 CC(C)OCSCC(=O)C(C)C 62a_100000753385_100000709892 [0,1,0,0,0,1|1,1,0]=4 4795 B11R0.29 CC(C)SCCCC(=O)N(C)C 62a_100000210206_100000737642 [0,1,0,0,0,1|2,0,0]=4 4796 B11R0.29 CC(C)SCCCC(=O)N(C)C 62a_100000737642_100000210206 [0,1,0,0,0,1|2,0,0]=4 4797 B11R0.29 CC(C)SCCNC(=O)C(C)C 11a_100000731138_100000210198 [0,1,0,0,0,1|1,0,0]=3 4798 B11R0.29 CC(C)SCCNC(=O)C(C)C 1626a_100000731138_100000210198 [0,1,0,0,0,1|1,0,0]=3 4799 B11R0.29 CC(C)SCCNC(=O)C(C)C 240690a_100000731138_100000210198 [0,1,0,0,0,1|1,0,0]=3 4800 B11R0.29 CC(C)SCCNC(=O)C(C)C 527a_100000731138_100000210198 [0,1,0,0,0,1|1,0,0]=3 4801 B11R0.29 CC(C)SCCNC(=O)C(C)F 11a_100000731138_100000062450 [0,1,0,0,0,1|1,0,0]=3 4802 B11R0.29 CC(C)SCCNC(=O)C(C)F 1626a_100000731138_100000062450 [0,1,0,0,0,1|1,0,0]=3 4803 B11R0.29 CC(C)SCCNC(=O)C(C)F 240690a_100000731138_100000062450 [0,1,0,0,0,1|1,0,0]=3 4804 B11R0.29 CC(C)SCCNC(=O)C(C)F 527a_100000731138_100000062450 [0,1,0,0,0,1|1,0,0]=3 4805 B11R0.29 CC(C)SCCNC(=O)C(F)F 11a_100000731138_100000210393 [0,1,0,0,0,1|2,0,0]=4 4806 B11R0.29 CC(C)SCCNC(=O)C(F)F 1626a_100000731138_100000210393 [0,1,0,0,0,1|2,0,0]=4 4807 B11R0.29 CC(C)SCCNC(=O)C(F)F 240690a_100000731138_100000210393 [0,1,0,0,0,1|2,0,0]=4 4808 B11R0.29 CC(C)SCCNC(=O)C(F)F 527a_100000731138_100000210393 [0,1,0,0,0,1|2,0,0]=4 4809 B11R0.29 CC(C)SCCNC(=O)C(O)O 240690a_100000731138_100000233687 [0,1,0,0,0,1|2,0,0]=4 4810 B11R0.29 CC(C)SCCNC(=O)N(C)C 2708a_100000731138_100102631434 [0,1,0,0,0,1|2,0,0]=4 4811 B11R0.29 CC(C)SCCNC(=O)[C@@H](C)O 240690a_100000731138_100000717761 [0,1,0,0,0,1|1,0,0]=3 4812 B11R0.29 CC(C)SCCNC(=O)[C@H](C)O 1626a_100000731138_217856618621 [0,1,0,0,0,1|1,0,0]=3 4813 B11R0.29 CC(C)SCCNC(=O)[C@H](C)O 240690a_100000731138_217856618621 [0,1,0,0,0,1|1,0,0]=3 4814 B11R0.29 CC(C)SCCOC(C)C(C)C 7a_100000748068_100000730970 [0,1,0,0,0,1|1,0,1]=4 4815 B11R0.29 CC(F)C(=O)NCCCN(C)C 240690a_102531767803_100000062450 [0,1,0,0,0,1|2,0,0]=4 4816 B11R0.29 CC(F)C(=O)NCCCN(C)C 527a_102531767803_100000062450 [0,1,0,0,0,1|2,0,0]=4 4817 B11R0.29 CC(F)C(=O)NNCCN(C)C 22a_100000738145_100000062450 [0,1,0,0,0,1|2,0,0]=4 4818 B11R0.29 CC(O)CCNCC(=O)C(C)C 2230a_200000755665_100000753385 [0,1,0,0,0,1|2,0,0]=4 4819 B11R0.29 CC(O)CCSCC(=O)C(C)C 62a_100000753385_100012276601 [0,1,0,0,0,1|1,1,0]=4 4820 B11R0.29 CC(O)CCSCC(=O)C(C)C 62a_100012276601_100000753385 [0,1,0,0,0,1|1,1,0]=4 4821 B11R0.29 CC(O)CSCOC(=O)C(C)C 62a_100000139345_100011218427 [0,1,0,0,0,1|1,0,0]=3 4822 B11R0.29 CC(O)CSCOC(=O)C(C)C 62a_100011218427_100000139345 [0,1,0,0,0,1|1,0,0]=3 4823 B11R0.29 C[C@@H](N)CCOCC(=O)N(C)C 34a_100000706166_100000692301 [0,1,0,0,0,1|2,0,0]=4 4824 B11R0.29 C[C@@H](O)C(=O)NCCCN(C)C 240690a_102531767803_100000717761 [0,1,0,0,0,1|2,0,0]=4 4825 B11R0.29 C[C@@H](O)C(=O)NNCCN(C)C 22a_100000738145_100000717761 [0,1,0,0,0,1|2,0,0]=4 4826 B11R0.29 C[C@H](O)C(=O)NCCCN(C)C 240690a_102531767803_217856618621 [0,1,0,0,0,1|2,0,0]=4 4827 B11R0.29 C[C@H](O)C(=O)NNCCN(C)C 22a_100000738145_217856618621 [0,1,0,0,0,1|2,0,0]=4 4828 B11R0.93 CC(C)CCC(C)NC(=O)CO 240690a_100138410893_100000210174 [0,1,0,0,0,1|2,0,0]=4 4829 B11R0.93 CC(C)CCC(C)NC(=O)CO 527a_100138410893_100000210174 [0,1,0,0,0,1|2,0,0]=4 4830 B11R0.93 CCC(=CC(=O)CCC(C)C)C 1458a_100020758463_100000210312 [0,1,0,0,0,1|2,0,0]=4 4831 B11R0.93 CCC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000747405 [0,1,0,0,0,1|1,0,0]=3 4832 B11R0.93 CCC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000747405 [0,1,0,0,0,1|2,0,0]=4 4833 B11R0.93 CCC(=O)CC(=O)COC(C)C 1458a_100000745533_100000747405 [0,1,0,0,0,1|1,0,1]=4 4834 B11R0.93 CCC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000747405 [0,1,0,0,0,1|1,0,1]=4 4835 B11R0.93 CCC(=O)CC(=O)NCC(C)C 1458a_100000210414_100000183291 [0,1,0,0,0,1|1,0,1]=4 4836 B11R0.93 CCC(=O)CN(C)CCC(C)C 269982a_100000742789_100000747405 [0,1,0,0,0,1|1,0,0]=3 4837 B11R0.93 CCC(=O)CN(C)CCN(C)C 269982a_100000225618_100000747405 [0,1,0,0,0,1|2,0,0]=4 4838 B11R0.93 CCC(=O)NC(C)CCC(C)C 11a_100138410893_100000210414 [0,1,0,0,0,1|1,0,0]=3 4839 B11R0.93 CCC(=O)NC(C)CCC(C)C 1626a_100138410893_100000210414 [0,1,0,0,0,1|1,0,0]=3 4840 B11R0.93 CCC(=O)NC(C)CCC(C)C 240690a_100138410893_100000210414 [0,1,0,0,0,1|1,0,0]=3 4841 B11R0.93 CCC(=O)NC(C)CCC(C)C 527a_100138410893_100000210414 [0,1,0,0,0,1|1,0,0]=3 4842 B11R0.93 CCC(C)OC(C)CCC(C)C 34a_100011215350_100011215416 [0,1,0,0,0,1|1,0,1]=4 4843 B11R0.93 CCC(C)OC(C)CCC(C)C 7a_100011215350_100000758301 [0,1,0,0,0,1|1,0,1]=4 4844 B11R0.93 CNC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000183359 [0,1,0,0,0,1|2,0,0]=4 4845 B11R0.93 CNC(=O)CN(C)CCC(C)C 2230a_100000189611_100000210312 [0,1,0,0,0,1|2,0,0]=4 4846 B11R0.93 CNC(=O)CN(C)CCC(C)C 2230a_100000742789_100000183359 [0,1,0,0,0,1|2,0,0]=4 4847 B11R0.93 CNC(=O)CN(C)CCC(C)C 269982a_100000742789_100000183359 [0,1,0,0,0,1|2,0,0]=4 4848 B11R0.93 CNC(=O)NC(C)CCC(C)C 2708a_100102657272_100138410893 [0,1,0,0,0,1|2,0,0]=4 4849 B11R0.93 CNC(=O)NC(C)CCC(C)C 2708a_100138410893_106832991635 [0,1,0,0,0,1|2,0,0]=4 4850 B11R0.93 CNC(=O)NC(C)CCC(C)C 273464a_100138410893_100102657272 [0,1,0,0,0,1|2,0,0]=4 4851 B11R0.93 CNC(=O)NC(C)CCC(C)C 512a_100138410893_100102657272 [0,1,0,0,0,1|2,0,0]=4 4852 B11R0.93 CNC(=O)NC(C)CCC(C)C 512a_106832991638_100138410893 [0,1,0,0,0,1|2,0,0]=4 4853 B11R0.93 COC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000747449 [0,1,0,0,0,1|2,0,0]=4 4854 B11R0.93 COC(=O)CC(=O)CCC(C)C 1458a_100000211351_100000210312 [0,1,0,0,0,1|2,0,0]=4 4855 B11R0.93 COC(=O)CC(C)NCC(C)C 2230a_100000210953_100009817358 [0,1,0,0,0,1|2,0,0]=4 4856 B11R0.93 COC(=O)CC(C)NCC(C)C 34a_100000210953_100009817358 [0,1,0,0,0,1|2,0,0]=4 4857 B11R0.93 COC(=O)CC(C)OCC(C)C 34a_100000210257_100009817358 [0,1,0,0,0,1|2,0,0]=4 4858 B11R0.93 COC(=O)CC(C)SCC(C)C 62a_100000210624_100009817358 [0,1,0,0,0,1|2,0,0]=4 4859 B11R0.93 COC(=O)CC(C)SCC(C)C 62a_100009817358_100000210760 [0,1,0,0,0,1|2,0,0]=4 4860 B11R0.93 COC(=O)CN(C)CCC(C)C 2230a_100000198492_100000210312 [0,1,0,0,0,1|2,0,0]=4 4861 B11R0.93 COC(=O)CN(C)CCC(C)C 2230a_100000742789_100000747449 [0,1,0,0,0,1|2,0,0]=4 4862 B11R0.93 COC(=O)CN(C)CCC(C)C 269982a_100000742789_100000747449 [0,1,0,0,0,1|2,0,0]=4 4863 B11R0.93 COC(=O)C[C@@H](O)CNC(C)C 34a_100138425928_100000754131 [0,1,0,0,0,1|2,0,0]=4 4864 B11R0.93 COC(=O)C[C@@H](O)COC(C)C 34a_100000212225_100000754131 [0,1,0,0,0,1|2,0,0]=4 4865 B11R0.93 COC(=O)C[C@@H](O)CSC(C)C 62a_100000210206_100000754131 [0,1,0,0,0,1|2,0,0]=4 4866 B11R0.93 COC(=O)C[C@@H](O)CSC(C)C 62a_100000754131_100000210206 [0,1,0,0,0,1|2,0,0]=4 4867 B11R0.106 C#CC(C)NCCNC(=O)CC 34a_100132302217_200000035995 [0,1,0,0,0,1|1,0,1]=4 4868 B11R0.106 C#CC(C)NCCOC(=O)NC 34a_100000707721_200011997002 [0,1,0,0,0,1|1,0,1]=4 4869 B11R0.106 C#CC(C)OCCNC(=O)CC 34a_200000158885_200000035995 [0,1,0,0,0,1|1,0,1]=4 4870 B11R0.106 C#CC(C)OCCOC(=O)OC 34a_100010262106_200000035995 [0,1,0,0,0,1|1,0,1]=4 4871 B11R0.106 C#CC(C)SCCOC(=O)NC 62a_200000035995_200011997002 [0,1,0,0,0,1|1,0,1]=4 4872 B11R0.106 C#C[C@@H](C)OCCOC(=O)NC 34a_100009815206_200011997002 [0,1,0,0,0,1|1,0,1]=4 4873 B11R0.106 C#C[C@@H](C)OCCOC(=O)NC 7a_100009815206_200011997002 [0,1,0,0,0,1|1,0,1]=4 4874 B11R0.106 C=CC(=O)OCCNC(C)CC 2230a_100000209981_100009813456 [0,1,0,0,0,1|0,0,2]=4 4875 B11R0.106 C=CC(=O)OCCN[C@H](C)CO 2230a_100000737577_100009813456 [0,1,0,0,0,1|0,0,2]=4 4876 B11R0.106 C=CC(=O)OCCOC(C)CC 7a_100000210228_100009813456 [0,1,0,0,0,1|0,0,2]=4 4877 B11R0.106 C=CC(=O)OCCOC(C)CF 34a_100016041109_100009813456 [0,1,0,0,0,1|0,0,2]=4 4878 B11R0.106 C=CC(=O)OCCOC(C)CF 7a_100016041109_100009813456 [0,1,0,0,0,1|0,0,2]=4 4879 B11R0.106 C=CC(=O)OCCOC(C)CN 34a_100000210904_100009813456 [0,1,0,0,0,1|0,0,2]=4 4880 B11R0.106 C=CC(=O)OCCSC(C)CC 62a_100000758301_100009813456 [0,1,0,0,0,1|0,0,2]=4 4881 B11R0.106 C=CC(=O)OCCSC(C)CC 62a_100009813456_100000758301 [0,1,0,0,0,1|0,0,2]=4 4882 B11R0.106 C=CC(=O)OCCSC(C)CO 62a_100012180447_100009813456 [0,1,0,0,0,1|0,0,2]=4 4883 B11R0.106 C=CC(=O)OCCSC(C)OC 62a_100009813456_100009879195 [0,1,0,0,0,1|0,0,2]=4 4884 B11R0.106 C=CC(=O)OCCSC(C)OC 62a_100009879195_100009813456 [0,1,0,0,0,1|0,0,2]=4 4885 B11R0.106 C=CC(=O)OCCS[C@H](C)CO 62a_100009813456_100016084084 [0,1,0,0,0,1|0,0,2]=4 4886 B11R0.106 C=CC(=O)OCCS[C@H](C)CO 62a_100016084084_100009813456 [0,1,0,0,0,1|0,0,2]=4 4887 B11R0.106 C=CC(C)OCCOC(=O)NC 34a_100000695699_200011997002 [0,1,0,0,0,1|1,0,1]=4 4888 B11R0.106 C=CC(C)SCCOC(=O)NC 62a_100011215867_200011997002 [0,1,0,0,0,1|1,0,1]=4 4889 B11R0.106 CCC(=O)COCCC(=O)NC 34a_100000725409_100012179268 [0,1,0,0,0,1|1,0,1]=4 4890 B11R0.106 CCC(=O)COCCC(=O)OC 34a_100000725409_100000742370 [0,1,0,0,0,1|1,0,1]=4 4891 B11R0.106 CCC(=O)COCCC(C)CC 7a_100011215188_100000747405 [0,1,0,0,0,1|0,0,0]=2 4892 B11R0.106 CCC(=O)COCCC(C)OC 7a_100000764861_100000747405 [0,1,0,0,0,1|0,0,0]=2 4893 B11R0.106 CCC(=O)NCCNC(C)CC 34a_100132302217_100011215416 [0,1,0,0,0,1|1,0,0]=3 4894 B11R0.106 CCC(=O)NCCNC(C)CO 34a_100132302217_100012180447 [0,1,0,0,0,1|1,0,0]=3 4895 B11R0.106 CCC(=O)NCCOC(C)C#N 7a_200000158885_100000703298 [0,1,0,0,0,1|1,0,1]=4 4896 B11R0.106 CCC(=O)NCCOC(C)CC 34a_200000158885_100011215416 [0,1,0,0,0,1|1,0,0]=3 4897 B11R0.106 CCC(=O)NCCOC(C)CC 7a_200000158885_100000758301 [0,1,0,0,0,1|1,0,0]=3 4898 B11R0.106 CCC(=O)NCCOC(C)CO 34a_200000158885_100012180447 [0,1,0,0,0,1|1,0,0]=3 4899 B11R0.106 CCC(=O)NCCOC(C)CO 7a_200000158885_100012180447 [0,1,0,0,0,1|1,0,0]=3 4900 B11R0.106 CCC(=O)NN=CCC(C)SC 4a_100000183195_100000036020 [0,1,0,0,0,1|1,0,1]=4 4901 B11R0.106 CCC(=O)OCCOC(C)C#N 7a_200000031056_100000703298 [0,1,0,0,0,1|0,0,1]=3 4902 B11R0.106 CCC(=O)OCCOC(C)CC 7a_200000031056_100000758301 [0,1,0,0,0,1|0,0,0]=2 4903 B11R0.106 CCC(=O)OCCOC(C)CO 7a_200000031056_100012180447 [0,1,0,0,0,1|0,0,0]=2 4904 B11R0.106 CCC(C)CCCOC(C)CC 7a_100011216074_100000758301 [0,1,0,0,0,1|1,0,1]=4 4905 B11R0.106 CCC(C)CCNCC(=O)NC 2230a_100020591266_100000183359 [0,1,0,0,0,1|2,0,0]=4 4906 B11R0.106 CCC(C)CCNCC(=O)OC 2230a_100020591266_100000747449 [0,1,0,0,0,1|2,0,0]=4 4907 B11R0.106 CCC(C)CCOCC(=O)NC 7a_100011215188_100000183359 [0,1,0,0,0,1|1,0,0]=3 4908 B11R0.106 CCC(C)CCOCC(=O)OC 7a_100011215188_100000747449 [0,1,0,0,0,1|1,0,0]=3 4909 B11R0.106 CCC(C)CCOCC(C)CC 7a_100011215188_100000748023 [0,1,0,0,0,1|1,0,1]=4 4910 B11R0.106 CCC(C)CCOCC(O)CC 7a_100011215188_100011218378 [0,1,0,0,0,1|0,0,2]=4 4911 B11R0.106 CCC(C)CCOC[C@@H](C)CC 7a_100011215188_100009816398 [0,1,0,0,0,1|1,0,1]=4 4912 B11R0.106 CCC(C)CNCCC(=O)NC 2230a_100000738227_100000748023 [0,1,0,0,0,1|2,0,0]=4 4913 B11R0.106 CCC(C)CNCCC(=O)NC 2230a_100020588543_100000737683 [0,1,0,0,0,1|2,0,0]=4 4914 B11R0.106 CCC(C)CNCCC(=O)NC 270004a_100000738227_100000243153 [0,1,0,0,0,1|2,0,0]=4 4915 B11R0.106 CCC(C)CNCCC(=O)NC 34a_100000738227_100000748023 [0,1,0,0,0,1|2,0,0]=4 4916 B11R0.106 CCC(C)CNCCC(=O)OC 2230a_100020588543_100000204255 [0,1,0,0,0,1|2,0,0]=4 4917 B11R0.106 CCC(C)COCCC(=O)NC 34a_100000754576_100000748023 [0,1,0,0,0,1|2,0,0]=4 4918 B11R0.106 CCC(C)COCCC(C)OC 7a_100000764861_100000748023 [0,1,0,0,0,1|1,0,1]=4 4919 B11R0.106 CCC(C)CSCCC(=O)NC 62a_100000737683_100000748023 [0,1,0,0,0,1|2,0,0]=4 4920 B11R0.106 CCC(C)CSCCC(=O)NC 62a_100000748023_100000737683 [0,1,0,0,0,1|2,0,0]=4 4921 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000204255_100000748023 [0,1,0,0,0,1|2,0,0]=4 4922 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000748023_100000204255 [0,1,0,0,0,1|2,0,0]=4 4923 B11R0.106 CCC(C)CSCOC(=O)OC 62a_100000748023_100000139417 [0,1,0,0,0,1|1,0,0]=3 4924 B11R0.106 CCC(C)NCCCC(=O)NC 2230a_100000209981_100000741757 [0,1,0,0,0,1|2,0,0]=4 4925 B11R0.106 CCC(C)NCCCC(=O)NC 2230a_100000740002_100000758301 [0,1,0,0,0,1|2,0,0]=4 4926 B11R0.106 CCC(C)NCCCC(=O)NC 34a_100000740002_100011215416 [0,1,0,0,0,1|2,0,0]=4 4927 B11R0.106 CCC(C)NCCCC(=O)OC 2230a_100000209981_100011218270 [0,1,0,0,0,1|2,0,0]=4 4928 B11R0.106 CCC(C)NCCNC(=O)NC 34a_100015205895_100011215416 [0,1,0,0,0,1|2,0,0]=4 4929 B11R0.106 CCC(C)OCCCC(=O)NC 7a_100000210228_100000741757 [0,1,0,0,0,1|2,0,0]=4 4930 B11R0.106 CCC(C)OCCCC(=O)OC 7a_100000210228_100011218270 [0,1,0,0,0,1|2,0,0]=4 4931 B11R0.106 CCC(C)OCCC[C@@H](C)CN 34a_100160569302_100011215416 [0,1,0,0,0,1|1,0,1]=4 4932 B11R0.106 CCC(C)OCCNC(=O)OC 34a_100000757965_100011215416 [0,1,0,0,0,1|2,0,0]=4 4933 B11R0.106 CCC(C)OCCOC(=O)NC 7a_100000210228_200011997002 [0,1,0,0,0,1|1,0,0]=3 4934 B11R0.106 CCC(C)OCCOC(=O)OC 34a_100010262106_100011215416 [0,1,0,0,0,1|1,0,0]=3 4935 B11R0.106 CCC(C)SCCCC(=O)NC 62a_100000741757_100000758301 [0,1,0,0,0,1|2,0,0]=4 4936 B11R0.106 CCC(C)SCCCC(=O)NC 62a_100000758301_100000741757 [0,1,0,0,0,1|2,0,0]=4 4937 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100000758301_100011218270 [0,1,0,0,0,1|2,0,0]=4 4938 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100011218270_100000758301 [0,1,0,0,0,1|2,0,0]=4 4939 B11R0.106 CCC(C)SCCOC(=O)NC 62a_100000758301_200011997002 [0,1,0,0,0,1|1,0,0]=3 4940 B11R0.106 CCC(C)SCCOC(=O)NC 62a_200011997002_100000758301 [0,1,0,0,0,1|1,0,0]=3 4941 B11R0.106 CCC(O)COCCC(C)OC 7a_100000764861_100011218378 [0,1,0,0,0,1|0,0,2]=4 4942 B11R0.106 CCC(O)CSCOC(=O)OC 62a_100011218378_100000139417 [0,1,0,0,0,1|2,0,0]=4 4943 B11R0.106 CCN(C)CCOCC(=O)OC 2230a_100000225621_100000090808 [0,1,0,0,0,1|2,0,0]=4 4944 B11R0.106 CC[C@H](C)CNCCC(=O)NC 2230a_100000738227_100009816398 [0,1,0,0,0,1|2,0,0]=4 4945 B11R0.106 CC[C@H](C)CNCCC(=O)NC 34a_100000738227_100009816398 [0,1,0,0,0,1|2,0,0]=4 4946 B11R0.106 CC[C@H](C)COCCC(=O)NC 34a_100000754576_100009816398 [0,1,0,0,0,1|2,0,0]=4 4947 B11R0.106 CC[C@H](C)COCCC(=O)NC 7a_100009816381_100000737683 [0,1,0,0,0,1|2,0,0]=4 4948 B11R0.106 CC[C@H](C)COCCC(=O)OC 7a_100009816381_100000204255 [0,1,0,0,0,1|2,0,0]=4 4949 B11R0.106 CC[C@H](C)COCCC(C)OC 7a_100000764861_100009816398 [0,1,0,0,0,1|1,0,1]=4 4950 B11R0.106 CC[C@H](C)CSCCC(=O)NC 62a_100000737683_100009816398 [0,1,0,0,0,1|2,0,0]=4 4951 B11R0.106 CC[C@H](C)CSCCC(=O)NC 62a_100009816398_100000737683 [0,1,0,0,0,1|2,0,0]=4 4952 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100000204255_100009816398 [0,1,0,0,0,1|2,0,0]=4 4953 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100009816398_100000204255 [0,1,0,0,0,1|2,0,0]=4 4954 B11R0.106 CC[C@H](C)CSCOC(=O)OC 62a_100009816398_100000139417 [0,1,0,0,0,1|1,0,0]=3 4955 B11R0.106 CNC(=O)CCCNC(C)CO 2230a_100000740002_100012180447 [0,1,0,0,0,1|2,0,0]=4 4956 B11R0.106 CNC(=O)CCCNC(C)CO 34a_100000740002_100012180447 [0,1,0,0,0,1|2,0,0]=4 4957 B11R0.106 CNC(=O)CCCN[C@H](C)CO 2230a_100000737577_100000741757 [0,1,0,0,0,1|2,0,0]=4 4958 B11R0.106 CNC(=O)CCCOC(C)CF 34a_100016041109_100000741757 [0,1,0,0,0,1|2,0,0]=4 4959 B11R0.106 CNC(=O)CCCOC(C)CF 7a_100016041109_100000741757 [0,1,0,0,0,1|2,0,0]=4 4960 B11R0.106 CNC(=O)CCCOC(C)CN 34a_100000210904_100000741757 [0,1,0,0,0,1|2,0,0]=4 4961 B11R0.106 CNC(=O)CCCSC(C)CO 62a_100012180447_100000741757 [0,1,0,0,0,1|2,0,0]=4 4962 B11R0.106 CNC(=O)CCCSC(C)OC 62a_100000741757_100009879195 [0,1,0,0,0,1|2,0,0]=4 4963 B11R0.106 CNC(=O)CCCSC(C)OC 62a_100009879195_100000741757 [0,1,0,0,0,1|2,0,0]=4 4964 B11R0.106 CNC(=O)CCCS[C@H](C)CO 62a_100000741757_100016084084 [0,1,0,0,0,1|2,0,0]=4 4965 B11R0.106 CNC(=O)CCCS[C@H](C)CO 62a_100016084084_100000741757 [0,1,0,0,0,1|2,0,0]=4 4966 B11R0.106 CNC(=O)CCNCC(C)CO 34a_100000744482_100012179268 [0,1,0,0,0,1|2,0,0]=4 4967 B11R0.106 CNC(=O)CCNC[C@@H](C)CO 2230a_100000738227_100000059175 [0,1,0,0,0,1|2,0,0]=4 4968 B11R0.106 CNC(=O)CCNC[C@@H](C)CO 34a_100000738227_100000059175 [0,1,0,0,0,1|2,0,0]=4 4969 B11R0.106 CNC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100000737683 [0,1,0,0,0,1|2,0,0]=4 4970 B11R0.106 CNC(=O)CCOCC(C)CN 34a_100000744482_100012179268 [0,1,0,0,0,1|2,0,0]=4 4971 B11R0.106 CNC(=O)CCOCC(C)OC 34a_100000690652_100012179268 [0,1,0,0,0,1|2,0,0]=4 4972 B11R0.106 CNC(=O)CCOC[C@@H](C)CO 34a_100000754576_100000059175 [0,1,0,0,0,1|2,0,0]=4 4973 B11R0.106 CNC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000737683 [0,1,0,0,0,1|2,0,0]=4 4974 B11R0.106 CNC(=O)CCSC[C@@H](C)CO 62a_100000737683_100000059175 [0,1,0,0,0,1|2,0,0]=4 4975 B11R0.106 CNC(=O)CNCCC(C)CO 2230a_106354213184_100000183359 [0,1,0,0,0,1|2,0,0]=4 4976 B11R0.106 CNC(=O)CNCCC(C)CO 34a_106354213184_100000183359 [0,1,0,0,0,1|2,0,0]=4 4977 B11R0.106 CNC(=O)COCCC(C)OC 7a_100000764861_100000183359 [0,1,0,0,0,1|1,0,0]=3 4978 B11R0.106 CNC(=O)NCCNC(C)CO 34a_100015205895_100012180447 [0,1,0,0,0,1|2,0,0]=4 4979 B11R0.106 CNC(=O)OCCOC(C)C#N 34a_100011218135_200011997002 [0,1,0,0,0,1|1,0,1]=4 4980 B11R0.106 CNC(=O)OCCOC(C)CF 34a_100016041109_200011997002 [0,1,0,0,0,1|1,0,0]=3 4981 B11R0.106 CNC(=O)OCCOC(C)CF 7a_100016041109_200011997002 [0,1,0,0,0,1|1,0,0]=3 4982 B11R0.106 CNC(=O)OCCOC(C)CN 34a_100000210904_200011997002 [0,1,0,0,0,1|1,0,0]=3 4983 B11R0.106 CNC(=O)OCCSC(C)C#N 62a_100000703298_200011997002 [0,1,0,0,0,1|1,0,1]=4 4984 B11R0.106 CNC(=O)OCCSC(C)C#N 62a_200011997002_100000703298 [0,1,0,0,0,1|1,0,1]=4 4985 B11R0.106 CNC(=O)OCCSC(C)CO 62a_100012180447_200011997002 [0,1,0,0,0,1|1,0,0]=3 4986 B11R0.106 CNC(=O)OCCSC(C)OC 62a_100009879195_200011997002 [0,1,0,0,0,1|1,0,0]=3 4987 B11R0.106 CNC(=O)OCCSC(C)OC 62a_200011997002_100009879195 [0,1,0,0,0,1|1,0,0]=3 4988 B11R0.106 CNC(=O)OCCS[C@H](C)CO 62a_100016084084_200011997002 [0,1,0,0,0,1|1,0,0]=3 4989 B11R0.106 CNC(=O)OCCS[C@H](C)CO 62a_200011997002_100016084084 [0,1,0,0,0,1|1,0,0]=3 4990 B11R0.106 COC(=O)CCCN[C@H](C)CO 2230a_100000737577_100011218270 [0,1,0,0,0,1|2,0,0]=4 4991 B11R0.106 COC(=O)CCCOC(C)CF 34a_100016041109_100000742333 [0,1,0,0,0,1|2,0,0]=4 4992 B11R0.106 COC(=O)CCCOC(C)CF 7a_100016041109_100011218270 [0,1,0,0,0,1|2,0,0]=4 4993 B11R0.106 COC(=O)CCCOC(C)CN 34a_100000210904_100000742333 [0,1,0,0,0,1|2,0,0]=4 4994 B11R0.106 COC(=O)CCCSC(C)CO 62a_100012180447_100011218270 [0,1,0,0,0,1|2,0,0]=4 4995 B11R0.106 COC(=O)CCCSC(C)OC 62a_100009879195_100011218270 [0,1,0,0,0,1|2,0,0]=4 4996 B11R0.106 COC(=O)CCCSC(C)OC 62a_100011218270_100009879195 [0,1,0,0,0,1|2,0,0]=4 4997 B11R0.106 COC(=O)CCCS[C@H](C)CO 62a_100011218270_100016084084 [0,1,0,0,0,1|2,0,0]=4 4998 B11R0.106 COC(=O)CCCS[C@H](C)CO 62a_100016084084_100011218270 [0,1,0,0,0,1|2,0,0]=4 4999 B11R0.106 COC(=O)CCNCC(C)CO 34a_100000744482_100000742370 [0,1,0,0,0,1|2,0,0]=4 5000 B11R0.106 COC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100000204255 [0,1,0,0,0,1|2,0,0]=4 5001 B11R0.106 COC(=O)CCOCC(C)CN 34a_100000744482_100000742370 [0,1,0,0,0,1|2,0,0]=4 5002 B11R0.106 COC(=O)CCOCC(C)OC 34a_100000690652_100000742370 [0,1,0,0,0,1|2,0,0]=4 5003 B11R0.106 COC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000204255 [0,1,0,0,0,1|2,0,0]=4 5004 B11R0.106 COC(=O)CCSC[C@@H](C)CO 62a_100000204255_100000059175 [0,1,0,0,0,1|2,0,0]=4 5005 B11R0.106 COC(=O)CNCCC(C)CO 2230a_106354213184_100000747449 [0,1,0,0,0,1|2,0,0]=4 5006 B11R0.106 COC(=O)CNCCC(C)CO 34a_106354213184_100000747449 [0,1,0,0,0,1|2,0,0]=4 5007 B11R0.106 COC(=O)COCCC(C)OC 7a_100000764861_100000747449 [0,1,0,0,0,1|1,0,0]=3 5008 B11R0.106 COC(=O)NCCOC(C)CO 34a_100000757965_100012180447 [0,1,0,0,0,1|2,0,0]=4 5009 B11R0.106 COC(=O)OCCOC(C)CO 34a_100010262106_100012180447 [0,1,0,0,0,1|1,0,0]=3 5010 B11R0.106 COC(=O)OCSCC(O)CO 62a_100011219619_100000139417 [0,1,0,0,0,1|2,0,0]=4 5011 B11R0.106 COC(=O)OCSC[C@@H](C)CO 62a_100000059175_100000139417 [0,1,0,0,0,1|1,0,0]=3 5012 B11R0.106 COC(=O)OCSC[C@@H](O)CF 62a_100015614560_100000139417 [0,1,0,0,0,1|2,0,0]=4 5013 B11R0.106 COC(=O)OCSC[C@@H](O)CO 62a_100009815848_100000139417 [0,1,0,0,0,1|2,0,0]=4 5014 B11R0.107 CCC(=O)CCC(=O)NC(C)C 1458a_100000210414_100000737564 [0,1,0,0,0,1|1,0,1]=4 5015 B11R0.107 CCC(=O)CCC(=O)OC(C)C 1458a_100000210414_100000760027 [0,1,0,0,0,1|1,0,1]=4 5016 B11R0.107 CCC(=O)CNC(=O)CC(C)C 1458a_100000194594_100000210202 [0,1,0,0,0,1|1,0,1]=4 5017 B11R0.107 CCC(=O)COC(=O)OC(C)C 1458a_100000210414_100000003507 [0,1,0,0,0,1|1,0,1]=4 5018 B11R0.107 CCC(=O)COC(C)CC(C)C 34a_100000725409_100000731052 [0,1,0,0,0,1|0,0,0]=2 5019 B11R0.107 CCC(=O)COC(C)CC(C)C 7a_100000211805_100000747405 [0,1,0,0,0,1|0,0,0]=2 5020 B11R0.107 CCC(=O)CSC(C)CC(C)C 62a_100000731052_100000747405 [0,1,0,0,0,1|0,1,0]=3 5021 B11R0.107 CCC(=O)CSC(C)CC(C)C 62a_100000747405_100000731052 [0,1,0,0,0,1|0,1,0]=3 5022 B11R0.107 CCC(=O)CSC(C)CN(C)C 62a_100000747405_100020606517 [0,1,0,0,0,1|1,1,0]=4 5023 B11R0.107 CCC(=O)CSC(C)CN(C)C 62a_100020606517_100000747405 [0,1,0,0,0,1|1,1,0]=4 5024 B11R0.107 CCC(=O)NCC(=O)CC(C)C 1458a_100000194589_100000210624 [0,1,0,0,0,1|1,0,0]=3 5025 B11R0.107 CCC(=O)NCC(=O)CC(C)O 1458a_100000194589_100011218427 [0,1,0,0,0,1|2,0,0]=4 5026 B11R0.107 CCC(=O)NCC(=O)NC(C)C 11a_100000168517_100000210414 [0,1,0,0,0,1|1,0,1]=4 5027 B11R0.107 CCC(=O)NCC(=O)NC(C)C 11a_100138425928_100000194589 [0,1,0,0,0,1|1,0,1]=4 5028 B11R0.107 CCC(=O)NCC(=O)NC(C)C 1626a_100000168517_100000210414 [0,1,0,0,0,1|1,0,1]=4 5029 B11R0.107 CCC(=O)NCC(=O)NC(C)C 1626a_100138425928_100000194589 [0,1,0,0,0,1|1,0,1]=4 5030 B11R0.107 CCC(=O)NCC(=O)NC(C)C 240690a_100000168517_100000210414 [0,1,0,0,0,1|1,0,1]=4 5031 B11R0.107 CCC(=O)NCC(=O)NC(C)C 240690a_100138425928_100000194589 [0,1,0,0,0,1|1,0,1]=4 5032 B11R0.107 CCC(=O)NCC(=O)NC(C)C 527a_100000168517_100000210414 [0,1,0,0,0,1|1,0,1]=4 5033 B11R0.107 CCC(=O)NCC(=O)NC(C)C 527a_100138425928_100000194589 [0,1,0,0,0,1|1,0,1]=4 5034 B11R0.107 CCC(=O)NCC(O)CN(C)C 240690a_100000737402_100000210414 [0,1,0,0,0,1|2,0,0]=4 5035 B11R0.107 CCC(=O)NCC(O)CN(C)C 527a_100000737402_100000210414 [0,1,0,0,0,1|2,0,0]=4 5036 B11R0.107 CCC(=O)NNC(=O)CC(C)C 22a_100000183195_100000210554 [0,1,0,0,0,1|1,0,1]=4 5037 B11R0.107 CCC(=O)NNC(=O)CC(C)C 22a_100000189787_100000210414 [0,1,0,0,0,1|1,0,1]=4 5038 B11R0.107 CCC(C)COC(C)CC(C)C 34a_100000211805_100000748023 [0,1,0,0,0,1|1,0,1]=4 5039 B11R0.107 CCC(C)COC(C)CC(C)C 7a_100000211805_100000748023 [0,1,0,0,0,1|1,0,1]=4 5040 B11R0.107 CCC(C)OC[C@@H](N)CC(C)C 34a_100011830311_100011215416 [0,1,0,0,0,1|1,0,1]=4 5041 B11R0.107 CCC(O)COC(C)CC(C)C 34a_100000211805_100011218378 [0,1,0,0,0,1|0,0,2]=4 5042 B11R0.107 CCC(O)COC(C)CC(C)C 7a_100000211805_100011218378 [0,1,0,0,0,1|0,0,2]=4 5043 B11R0.107 CCS(=O)CCC(=O)CC(C)C 1458a_100011387550_100000210624 [0,1,0,0,0,1|2,0,0]=4 5044 B11R0.107 CC[C@H](C)COC(C)CC(C)C 34a_100000211805_100009816398 [0,1,0,0,0,1|1,0,1]=4 5045 B11R0.107 CC[C@H](C)COC(C)CC(C)C 7a_100000211805_100009816398 [0,1,0,0,0,1|1,0,1]=4 5046 B11R0.107 CC[C@H](C)COC(C)CC(C)C 7a_100009816381_100000731052 [0,1,0,0,0,1|1,0,1]=4 5047 B11R0.107 CNC(=O)CCC(=O)CC(C)C 1458a_100011309844_100000210624 [0,1,0,0,0,1|2,0,0]=4 5048 B11R0.107 CNC(=O)CCN(C)CC(C)C 2230a_100000747067_100000737683 [0,1,0,0,0,1|2,0,0]=4 5049 B11R0.107 CNC(=O)CCN(C)CC(C)C 2230a_100000750875_100000210760 [0,1,0,0,0,1|2,0,0]=4 5050 B11R0.107 CNC(=O)CCN(C)CC(C)C 269982a_100000747067_100000737683 [0,1,0,0,0,1|2,0,0]=4 5051 B11R0.107 CNC(=O)CCN(C)CC(C)C 269982a_100000750875_100000210624 [0,1,0,0,0,1|2,0,0]=4 5052 B11R0.107 CNC(=O)CCN(C)CC(C)C 270004a_100000750875_100000210432 [0,1,0,0,0,1|2,0,0]=4 5053 B11R0.107 CNC(=O)CNC(C)CC(C)C 2230a_100000692259_100000183359 [0,1,0,0,0,1|2,0,0]=4 5054 B11R0.107 CNC(=O)CNC(C)CC(C)C 2230a_100000693194_100000731052 [0,1,0,0,0,1|2,0,0]=4 5055 B11R0.107 CNC(=O)COC(C)CC(C)C 34a_100000211805_100000183359 [0,1,0,0,0,1|1,0,0]=3 5056 B11R0.107 CNC(=O)COC(C)CC(C)C 34a_100000750040_100000731052 [0,1,0,0,0,1|1,0,0]=3 5057 B11R0.107 CNC(=O)COC(C)CC(C)C 7a_100000211805_100000183359 [0,1,0,0,0,1|1,0,0]=3 5058 B11R0.107 CNC(=O)CSC(C)CC(C)C 62a_100000183359_100000731052 [0,1,0,0,0,1|1,1,0]=4 5059 B11R0.107 CNC(=O)CSC(C)CC(C)C 62a_100000731052_100000183359 [0,1,0,0,0,1|1,1,0]=4 5060 B11R0.107 COC(=O)CCC(=O)CC(C)C 1458a_100000187943_100000210624 [0,1,0,0,0,1|2,0,0]=4 5061 B11R0.107 COC(=O)CCN(C)CC(C)C 2230a_100000747067_100000204255 [0,1,0,0,0,1|2,0,0]=4 5062 B11R0.107 COC(=O)CCN(C)CC(C)C 269982a_100000747067_100000204255 [0,1,0,0,0,1|2,0,0]=4 5063 B11R0.107 COC(=O)CCN(C)CC(C)C 269982a_100025711912_100000210624 [0,1,0,0,0,1|2,0,0]=4 5064 B11R0.107 COC(=O)CNC(C)CC(C)C 2230a_100000692259_100000747449 [0,1,0,0,0,1|2,0,0]=4 5065 B11R0.107 COC(=O)COC(C)CC(C)C 34a_100000211805_100000747449 [0,1,0,0,0,1|1,0,0]=3 5066 B11R0.107 COC(=O)COC(C)CC(C)C 7a_100000211805_100000747449 [0,1,0,0,0,1|1,0,0]=3 5067 B11R0.107 COC(=O)CSC(C)CC(C)C 62a_100000731052_100000747449 [0,1,0,0,0,1|1,1,0]=4 5068 B11R0.107 COC(=O)CSC(C)CC(C)C 62a_100000747449_100000731052 [0,1,0,0,0,1|1,1,0]=4 5069 B11R0.107 COC(=O)NCC(=O)CC(C)C 1458a_100000215747_100000210624 [0,1,0,0,0,1|2,0,0]=4 5070 B11R0.109 C=CC(=O)OCCC(=O)C(C)C 1458a_100000065099_100000210206 [0,1,0,0,0,1|0,0,2]=4 5071 B11R0.109 C=CC(=O)OCCC(=O)C(C)C 1458a_100000210198_100009813456 [0,1,0,0,0,1|0,0,2]=4 5072 B11R0.109 C=CC(=O)OCCN(C)C(C)C 269982a_200000211004_100009813456 [0,1,0,0,0,1|0,0,2]=4 5073 B11R0.109 CC(C)N(C)CCNC(=O)CO 240690a_100000749581_100000210174 [0,1,0,0,0,1|2,0,0]=4 5074 B11R0.109 CC(C)N(C)CCNC(=O)CO 527a_100000749581_100000210174 [0,1,0,0,0,1|2,0,0]=4 5075 B11R0.109 CCC(=O)CCCC(=O)N(C)C 1458a_100000210414_100000737642 [0,1,0,0,0,1|2,0,0]=4 5076 B11R0.109 CCC(=O)COCC(=O)C(C)C 34a_100000725409_100000753385 [0,1,0,0,0,1|0,0,1]=3 5077 B11R0.109 CCC(=O)COCC(=O)N(C)C 34a_100000725409_100000692301 [0,1,0,0,0,1|1,0,1]=4 5078 B11R0.109 CCC(=O)COCC(C)C(=O)C 7a_100000032740_100000747405 [0,1,0,0,0,1|1,0,1]=4 5079 B11R0.109 CCC(=O)CSCC(=O)C(C)C 62a_100000747405_100000753385 [0,1,0,0,0,1|0,1,1]=4 5080 B11R0.109 CCC(=O)CSCC(=O)C(C)C 62a_100000753385_100000747405 [0,1,0,0,0,1|0,1,1]=4 5081 B11R0.109 CCC(=O)NCCC(=O)N(C)C 11a_100000738053_100000210414 [0,1,0,0,0,1|2,0,0]=4 5082 B11R0.109 CCC(=O)NCCC(=O)N(C)C 240690a_100000738053_100000210414 [0,1,0,0,0,1|2,0,0]=4 5083 B11R0.109 CCC(=O)NCCC(=O)N(C)C 527a_100000738053_100000210414 [0,1,0,0,0,1|2,0,0]=4 5084 B11R0.109 CCC(=O)NCCN(C)C(C)C 1626a_100000749581_100000210414 [0,1,0,0,0,1|1,0,0]=3 5085 B11R0.109 CCC(=O)NCCN(C)C(C)C 240690a_100000749581_100000210414 [0,1,0,0,0,1|1,0,0]=3 5086 B11R0.109 CCC(=O)NCCN(C)C(C)C 527a_100000749581_100000210414 [0,1,0,0,0,1|1,0,0]=3 5087 B11R0.109 CCC(C)COC[C@H](N)C(C)C 34a_100011830312_100000748023 [0,1,0,0,0,1|1,0,1]=4 5088 B11R0.109 CCC(C)OCCC(N)C(C)C 34a_100161115045_100011215416 [0,1,0,0,0,1|1,0,1]=4 5089 B11R0.109 CCC(O)COC[C@H](N)C(C)C 34a_100011830312_100011218378 [0,1,0,0,0,1|0,0,2]=4 5090 B11R0.109 CC[C@H](C)COC[C@H](N)C(C)C 34a_100011830312_100009816398 [0,1,0,0,0,1|1,0,1]=4 5091 B11R0.109 CNC(=O)CCCC(=O)C(C)C 1458a_100000210198_100000741757 [0,1,0,0,0,1|2,0,0]=4 5092 B11R0.109 CNC(=O)CCCN(C)C(C)C 269982a_200000211004_100000741757 [0,1,0,0,0,1|2,0,0]=4 5093 B11R0.109 CNC(=O)CCNC(C)C(C)C 2230a_100000211541_100000737683 [0,1,0,0,0,1|2,0,0]=4 5094 B11R0.109 CNC(=O)CCOC(C)C(C)C 7a_100000748068_100000737683 [0,1,0,0,0,1|2,0,0]=4 5095 B11R0.109 CNC(=O)CNCC(O)C(C)C 2230a_100000759067_100000183359 [0,1,0,0,0,1|2,0,0]=4 5096 B11R0.109 CNC(=O)CNCC(O)C(C)C 34a_100000759067_100000183359 [0,1,0,0,0,1|2,0,0]=4 5097 B11R0.109 CNC(=O)COCC(=O)C(C)C 34a_100000750040_100000753385 [0,1,0,0,0,1|1,0,1]=4 5098 B11R0.109 CNC(=O)COC[C@H](N)C(C)C 34a_100011830312_100000183359 [0,1,0,0,0,1|1,0,0]=3 5099 B11R0.109 CNC(=O)NCCN(C)C(C)C 2708a_100102657272_100000749581 [0,1,0,0,0,1|2,0,0]=4 5100 B11R0.109 CNC(=O)NCCN(C)C(C)C 273464a_100000749581_100102657272 [0,1,0,0,0,1|2,0,0]=4 5101 B11R0.109 CNC(=O)NCCN(C)C(C)C 273464a_100102657272_100000749581 [0,1,0,0,0,1|2,0,0]=4 5102 B11R0.109 CNC(=O)NCCN(C)C(C)C 512a_100000749581_100102657272 [0,1,0,0,0,1|2,0,0]=4 5103 B11R0.109 CNC(=O)NCCN(C)C(C)C 512a_106832991638_100000749581 [0,1,0,0,0,1|2,0,0]=4 5104 B11R0.109 CNC(=O)OCCC(=O)C(C)C 1458a_100000210198_200011997002 [0,1,0,0,0,1|1,0,0]=3 5105 B11R0.109 CNC(=O)OCCC(=O)C(C)F 1458a_100000062450_200011997002 [0,1,0,0,0,1|2,0,0]=4 5106 B11R0.109 CNC(=O)OCCC(=O)[C@@H](C)O 1458a_100000717761_200011997002 [0,1,0,0,0,1|2,0,0]=4 5107 B11R0.109 CNC(=O)OCCC(=O)[C@H](C)O 1458a_217856618621_200011997002 [0,1,0,0,0,1|2,0,0]=4 5108 B11R0.109 CNC(=O)OCCN(C)C(C)C 269982a_200000211004_200011997002 [0,1,0,0,0,1|1,0,0]=3 5109 B11R0.109 COC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011218270 [0,1,0,0,0,1|2,0,0]=4 5110 B11R0.109 COC(=O)CCCC(=O)C(C)C 1458a_100000239890_100000210206 [0,1,0,0,0,1|2,0,0]=4 5111 B11R0.109 COC(=O)CCCN(C)C(C)C 269982a_100000739225_100000210206 [0,1,0,0,0,1|2,0,0]=4 5112 B11R0.109 COC(=O)CCCN(C)C(C)C 269982a_200000211004_100011218270 [0,1,0,0,0,1|2,0,0]=4 5113 B11R0.109 COC(=O)CCNC(C)C(C)C 2230a_100000211541_100000204255 [0,1,0,0,0,1|2,0,0]=4 5114 B11R0.109 COC(=O)CCOC(C)C(C)C 7a_100000748068_100000204255 [0,1,0,0,0,1|2,0,0]=4 5115 B11R0.109 COC(=O)CNCC(O)C(C)C 2230a_100000759067_100000747449 [0,1,0,0,0,1|2,0,0]=4 5116 B11R0.109 COC(=O)CNCC(O)C(C)C 34a_100000759067_100000747449 [0,1,0,0,0,1|2,0,0]=4 5117 B11R0.109 COC(=O)COC[C@H](N)C(C)C 34a_100011830312_100000747449 [0,1,0,0,0,1|1,0,0]=3 5118 B11R0.114 C=CC(=O)OCCNC(C)(C)C 2230a_100000715429_100009813456 [0,1,0,0,0,1|0,0,2]=4 5119 B11R0.114 C=CC(=O)OCCOC(C)(C)C 34a_100015890283_100009813456 [0,1,0,0,0,1|0,0,2]=4 5120 B11R0.114 C=CC(=O)OCCOC(C)(C)C 7a_100015890283_100009813456 [0,1,0,0,0,1|0,0,2]=4 5121 B11R0.114 C=CC(=O)OCCSC(C)(C)C 62a_100000211941_100009813456 [0,1,0,0,0,1|0,0,2]=4 5122 B11R0.114 C=CC(=O)OCCSC(C)(C)C 62a_100009813456_100000211941 [0,1,0,0,0,1|0,0,2]=4 5123 B11R0.114 CC(C)(C)OCCNC(=O)CO 240690a_100000747557_100000210174 [0,1,0,0,0,1|2,0,0]=4 5124 B11R0.114 CC(C)(C)OCCNC(=O)CO 527a_100000747557_100000210174 [0,1,0,0,0,1|2,0,0]=4 5125 B11R0.114 CC(C)(C)SCCNC(=O)CO 240690a_100000689375_100000210174 [0,1,0,0,0,1|2,0,0]=4 5126 B11R0.114 CC(C)(C)SCCNC(=O)CO 527a_100000689375_100000210174 [0,1,0,0,0,1|2,0,0]=4 5127 B11R0.114 CCC(=O)COCCC(C)(C)C 34a_100000725409_100000755188 [0,1,0,0,0,1|0,0,0]=2 5128 B11R0.114 CCC(=O)COCCC(C)(C)C 7a_100000765024_100000747405 [0,1,0,0,0,1|0,0,0]=2 5129 B11R0.114 CCC(=O)COCCC(C)(C)O 34a_100000725409_100000702414 [0,1,0,0,0,1|0,0,0]=2 5130 B11R0.114 CCC(=O)COCCC(F)(F)F 34a_100000725409_100011219754 [0,1,0,0,0,1|2,0,0]=4 5131 B11R0.114 CCC(=O)COCCS(=O)(=O)C 34a_100000725409_100000731031 [0,1,0,0,0,1|2,0,0]=4 5132 B11R0.114 CCC(=O)COCCS(=O)(=O)C 7a_100000211924_100000747405 [0,1,0,0,0,1|2,0,0]=4 5133 B11R0.114 CCC(=O)COCC[N+](C)(C)C 34a_100000725409_100000085578 [0,1,0,0,0,1|1,0,0]=3 5134 B11R0.114 CCC(=O)COCC[N+](C)(C)C 7a_200020618287_100000747405 [0,1,0,0,0,1|1,0,0]=3 5135 B11R0.114 CCC(=O)COCC[Si](C)(C)C 1458a_100000210414_100000032501 [0,1,0,0,0,1|0,1,0]=3 5136 B11R0.114 CCC(=O)COCC[Si](C)(C)C 34a_100000725409_200000733723 [0,1,0,0,0,1|0,1,0]=3 5137 B11R0.114 CCC(=O)COCC[Si](C)(C)C 7a_100000039746_100000747405 [0,1,0,0,0,1|0,1,0]=3 5138 B11R0.114 CCC(=O)CSCCC(C)(C)C 62a_100000747405_100000755188 [0,1,0,0,0,1|0,1,0]=3 5139 B11R0.114 CCC(=O)CSCCC(C)(C)C 62a_100000755188_100000747405 [0,1,0,0,0,1|0,1,0]=3 5140 B11R0.114 CCC(=O)CSCCC(C)(C)O 62a_100000702414_100000747405 [0,1,0,0,0,1|0,1,0]=3 5141 B11R0.114 CCC(=O)CSCCC(C)(C)O 62a_100000747405_100000702414 [0,1,0,0,0,1|0,1,0]=3 5142 B11R0.114 CCC(=O)CSCC[N+](C)(C)C 62a_100000085578_100000747405 [0,1,0,0,0,1|1,1,0]=4 5143 B11R0.114 CCC(=O)CSCC[N+](C)(C)C 62a_100000747405_100000085578 [0,1,0,0,0,1|1,1,0]=4 5144 B11R0.114 CCC(=O)CSCC[Si](C)(C)C 62a_100000747405_200000733723 [0,1,0,0,0,1|0,2,0]=4 5145 B11R0.114 CCC(=O)CSCC[Si](C)(C)C 62a_200000733723_100000747405 [0,1,0,0,0,1|0,2,0]=4 5146 B11R0.114 CCC(=O)NCCC[Si](C)(C)C 1626a_100000725946_100000210414 [0,1,0,0,0,1|1,1,0]=4 5147 B11R0.114 CCC(=O)NCCC[Si](C)(C)C 240690a_100000725946_100000210414 [0,1,0,0,0,1|1,1,0]=4 5148 B11R0.114 CCC(=O)NCCC[Si](C)(C)C 527a_100000725946_100000210414 [0,1,0,0,0,1|1,1,0]=4 5149 B11R0.114 CCC(=O)NCCNC(C)(C)C 34a_100132302217_100000210625 [0,1,0,0,0,1|1,0,0]=3 5150 B11R0.114 CCC(=O)NCCOC(C)(C)C 11a_100000747557_100000210414 [0,1,0,0,0,1|1,0,0]=3 5151 B11R0.114 CCC(=O)NCCOC(C)(C)C 1626a_100000747557_100000210414 [0,1,0,0,0,1|1,0,0]=3 5152 B11R0.114 CCC(=O)NCCOC(C)(C)C 240690a_100000747557_100000210414 [0,1,0,0,0,1|1,0,0]=3 5153 B11R0.114 CCC(=O)NCCOC(C)(C)C 34a_200000158885_100000210625 [0,1,0,0,0,1|1,0,0]=3 5154 B11R0.114 CCC(=O)NCCOC(C)(C)C 527a_100000747557_100000210414 [0,1,0,0,0,1|1,0,0]=3 5155 B11R0.114 CCC(=O)NCCSC(C)(C)C 11a_100000689375_100000210414 [0,1,0,0,0,1|1,0,0]=3 5156 B11R0.114 CCC(=O)NCCSC(C)(C)C 1626a_100000689375_100000210414 [0,1,0,0,0,1|1,0,0]=3 5157 B11R0.114 CCC(=O)NCCSC(C)(C)C 240690a_100000689375_100000210414 [0,1,0,0,0,1|1,0,0]=3 5158 B11R0.114 CCC(=O)NCCSC(C)(C)C 527a_100000689375_100000210414 [0,1,0,0,0,1|1,0,0]=3 5159 B11R0.114 CCC(=O)NN=CCC(C)(C)C 4a_100000183195_100000750564 [0,1,0,0,0,1|1,0,1]=4 5160 B11R0.114 CCC(=O)OCCOC(F)(F)F 7a_200000031056_200000243211 [0,1,0,0,0,1|2,0,0]=4 5161 B11R0.114 CCC(C)COCCC(C)(C)C 7a_100000765024_100000748023 [0,1,0,0,0,1|1,0,1]=4 5162 B11R0.114 CCC(C)OCCCC(C)(C)O 7a_100000210228_100009888830 [0,1,0,0,0,1|1,0,1]=4 5163 B11R0.114 CCC(C)OCCOC(C)(C)C 34a_100000693234_100011215416 [0,1,0,0,0,1|1,0,1]=4 5164 B11R0.114 CCC(C)OCCOC(C)(C)C 7a_100000693234_100000758301 [0,1,0,0,0,1|1,0,1]=4 5165 B11R0.114 CCC(O)COCCC(C)(C)C 7a_100000765024_100011218378 [0,1,0,0,0,1|0,0,2]=4 5166 B11R0.114 CC[C@H](C)COCCC(C)(C)C 7a_100000765024_100009816398 [0,1,0,0,0,1|1,0,1]=4 5167 B11R0.114 CC[C@H](C)COCCC(C)(C)C 7a_100009816381_100000755188 [0,1,0,0,0,1|1,0,1]=4 5168 B11R0.114 CC[C@H](C)COCCC(C)(C)O 7a_100009816381_100000702414 [0,1,0,0,0,1|1,0,1]=4 5169 B11R0.114 CNC(=O)CCCNC(C)(C)C 2230a_100000715429_100000741757 [0,1,0,0,0,1|2,0,0]=4 5170 B11R0.114 CNC(=O)CCCNC(C)(C)C 34a_100000740002_100000210625 [0,1,0,0,0,1|2,0,0]=4 5171 B11R0.114 CNC(=O)CCCOC(C)(C)C 34a_100015890283_100000741757 [0,1,0,0,0,1|2,0,0]=4 5172 B11R0.114 CNC(=O)CCCOC(C)(C)C 7a_100015890283_100000741757 [0,1,0,0,0,1|2,0,0]=4 5173 B11R0.114 CNC(=O)CCCSC(C)(C)C 62a_100000211941_100000741757 [0,1,0,0,0,1|2,0,0]=4 5174 B11R0.114 CNC(=O)CCCSC(C)(C)C 62a_100000741757_100000211941 [0,1,0,0,0,1|2,0,0]=4 5175 B11R0.114 CNC(=O)CCNCC(C)(C)C 2230a_100000743828_100000737683 [0,1,0,0,0,1|2,0,0]=4 5176 B11R0.114 CNC(=O)CCNCC(C)(C)C 270004a_100000738227_100011204126 [0,1,0,0,0,1|2,0,0]=4 5177 B11R0.114 CNC(=O)CCNCC(C)(C)C 34a_100000738227_100011219605 [0,1,0,0,0,1|2,0,0]=4 5178 B11R0.114 CNC(=O)CCNCC(C)(C)F 2230a_100020643315_100000737683 [0,1,0,0,0,1|2,0,0]=4 5179 B11R0.114 CNC(=O)CCNCC(C)(C)F 34a_100000738227_100011997219 [0,1,0,0,0,1|2,0,0]=4 5180 B11R0.114 CNC(=O)CCNCC(C)(C)O 2230a_100000751335_100000737683 [0,1,0,0,0,1|2,0,0]=4 5181 B11R0.114 CNC(=O)CCNCC(C)(C)O 34a_100000738227_100000764493 [0,1,0,0,0,1|2,0,0]=4 5182 B11R0.114 CNC(=O)CCOCC(C)(C)C 34a_100000754576_100011219605 [0,1,0,0,0,1|2,0,0]=4 5183 B11R0.114 CNC(=O)CCOCC(C)(C)F 34a_100000716592_100012179268 [0,1,0,0,0,1|2,0,0]=4 5184 B11R0.114 CNC(=O)CCOCC(C)(C)F 34a_100000754576_100011997219 [0,1,0,0,0,1|2,0,0]=4 5185 B11R0.114 CNC(=O)CCOCC(C)(C)O 34a_100000754576_100000764493 [0,1,0,0,0,1|2,0,0]=4 5186 B11R0.114 CNC(=O)CCSCC(C)(C)C 62a_100000737683_100011219605 [0,1,0,0,0,1|2,0,0]=4 5187 B11R0.114 CNC(=O)CCSCC(C)(C)C 62a_100011219605_100000737683 [0,1,0,0,0,1|2,0,0]=4 5188 B11R0.114 CNC(=O)CCSCC(C)(C)F 62a_100000737683_100011997219 [0,1,0,0,0,1|2,0,0]=4 5189 B11R0.114 CNC(=O)CCSCC(C)(C)F 62a_100011997219_100000737683 [0,1,0,0,0,1|2,0,0]=4 5190 B11R0.114 CNC(=O)CCSCC(C)(C)O 62a_100000737683_100000764493 [0,1,0,0,0,1|2,0,0]=4 5191 B11R0.114 CNC(=O)CCSCC(C)(C)O 62a_100000764493_100000737683 [0,1,0,0,0,1|2,0,0]=4 5192 B11R0.114 CNC(=O)CNCCC(C)(C)C 2230a_100000693194_100000755188 [0,1,0,0,0,1|2,0,0]=4 5193 B11R0.114 CNC(=O)CNCCC(C)(C)C 2230a_100000738805_100000183359 [0,1,0,0,0,1|2,0,0]=4 5194 B11R0.114 CNC(=O)CNCCC(C)(C)F 2230a_100016253952_100000183359 [0,1,0,0,0,1|2,0,0]=4 5195 B11R0.114 CNC(=O)CNCCC(C)(C)O 2230a_100000693194_100000702414 [0,1,0,0,0,1|2,0,0]=4 5196 B11R0.114 CNC(=O)COCCC(C)(C)C 34a_100000750040_100000755188 [0,1,0,0,0,1|1,0,0]=3 5197 B11R0.114 CNC(=O)COCCC(C)(C)C 7a_100000765024_100000183359 [0,1,0,0,0,1|1,0,0]=3 5198 B11R0.114 CNC(=O)COCCC(C)(C)O 34a_100000750040_100000702414 [0,1,0,0,0,1|1,0,0]=3 5199 B11R0.114 CNC(=O)COCC[N+](C)(C)C 34a_100000750040_100000085578 [0,1,0,0,0,1|2,0,0]=4 5200 B11R0.114 CNC(=O)COCC[N+](C)(C)C 7a_200020618287_100000183359 [0,1,0,0,0,1|2,0,0]=4 5201 B11R0.114 CNC(=O)COCC[Si](C)(C)C 34a_100000750040_200000733723 [0,1,0,0,0,1|1,1,0]=4 5202 B11R0.114 CNC(=O)COCC[Si](C)(C)C 7a_100000039746_100000183359 [0,1,0,0,0,1|1,1,0]=4 5203 B11R0.114 CNC(=O)CSCCC(C)(C)C 62a_100000183359_100000755188 [0,1,0,0,0,1|1,1,0]=4 5204 B11R0.114 CNC(=O)CSCCC(C)(C)C 62a_100000755188_100000183359 [0,1,0,0,0,1|1,1,0]=4 5205 B11R0.114 CNC(=O)CSCCC(C)(C)O 62a_100000183359_100000702414 [0,1,0,0,0,1|1,1,0]=4 5206 B11R0.114 CNC(=O)CSCCC(C)(C)O 62a_100000702414_100000183359 [0,1,0,0,0,1|1,1,0]=4 5207 B11R0.114 CNC(=O)NCCNC(C)(C)C 34a_100015205895_100000210625 [0,1,0,0,0,1|2,0,0]=4 5208 B11R0.114 CNC(=O)NCCOC(C)(C)C 2708a_100000747557_106832991635 [0,1,0,0,0,1|2,0,0]=4 5209 B11R0.114 CNC(=O)NCCOC(C)(C)C 2708a_100102657272_100000747557 [0,1,0,0,0,1|2,0,0]=4 5210 B11R0.114 CNC(=O)NCCOC(C)(C)C 273464a_100000747557_100102657272 [0,1,0,0,0,1|2,0,0]=4 5211 B11R0.114 CNC(=O)NCCOC(C)(C)C 273464a_100102657272_100000747557 [0,1,0,0,0,1|2,0,0]=4 5212 B11R0.114 CNC(=O)NCCOC(C)(C)C 512a_100000747557_100102657272 [0,1,0,0,0,1|2,0,0]=4 5213 B11R0.114 CNC(=O)NCCOC(C)(C)C 512a_106832991638_100000747557 [0,1,0,0,0,1|2,0,0]=4 5214 B11R0.114 CNC(=O)NCCSC(C)(C)C 2708a_100000689375_106832991635 [0,1,0,0,0,1|2,0,0]=4 5215 B11R0.114 CNC(=O)NCCSC(C)(C)C 2708a_100102657272_100000689375 [0,1,0,0,0,1|2,0,0]=4 5216 B11R0.114 CNC(=O)NCCSC(C)(C)C 273464a_100000689375_100102657272 [0,1,0,0,0,1|2,0,0]=4 5217 B11R0.114 CNC(=O)NCCSC(C)(C)C 273464a_100102657272_100000689375 [0,1,0,0,0,1|2,0,0]=4 5218 B11R0.114 CNC(=O)NCCSC(C)(C)C 512a_100000689375_100102657272 [0,1,0,0,0,1|2,0,0]=4 5219 B11R0.114 CNC(=O)NCCSC(C)(C)C 512a_106832991638_100000689375 [0,1,0,0,0,1|2,0,0]=4 5220 B11R0.114 CNC(=O)OCCOC(C)(C)C 34a_100015890283_200011997002 [0,1,0,0,0,1|1,0,0]=3 5221 B11R0.114 CNC(=O)OCCOC(C)(C)C 7a_100015890283_200011997002 [0,1,0,0,0,1|1,0,0]=3 5222 B11R0.114 CNC(=O)OCCSC(C)(C)C 62a_100000211941_200011997002 [0,1,0,0,0,1|1,0,0]=3 5223 B11R0.114 CNC(=O)OCCSC(C)(C)C 62a_200011997002_100000211941 [0,1,0,0,0,1|1,0,0]=3 5224 B11R0.114 COC(=O)CCCNC(C)(C)C 2230a_100000715429_100011218270 [0,1,0,0,0,1|2,0,0]=4 5225 B11R0.114 COC(=O)CCCOC(C)(C)C 34a_100015890283_100000742333 [0,1,0,0,0,1|2,0,0]=4 5226 B11R0.114 COC(=O)CCCOC(C)(C)C 7a_100015890283_100011218270 [0,1,0,0,0,1|2,0,0]=4 5227 B11R0.114 COC(=O)CCCSC(C)(C)C 62a_100000211941_100011218270 [0,1,0,0,0,1|2,0,0]=4 5228 B11R0.114 COC(=O)CCCSC(C)(C)C 62a_100011218270_100000211941 [0,1,0,0,0,1|2,0,0]=4 5229 B11R0.114 COC(=O)CCNCC(C)(C)C 2230a_100000743828_100000204255 [0,1,0,0,0,1|2,0,0]=4 5230 B11R0.114 COC(=O)CCNCC(C)(C)F 2230a_100020643315_100000204255 [0,1,0,0,0,1|2,0,0]=4 5231 B11R0.114 COC(=O)CCNCC(C)(C)O 2230a_100000751335_100000204255 [0,1,0,0,0,1|2,0,0]=4 5232 B11R0.114 COC(=O)CCOCC(C)(C)F 34a_100000716592_100000742370 [0,1,0,0,0,1|2,0,0]=4 5233 B11R0.114 COC(=O)CCSCC(C)(C)C 62a_100000204255_100011219605 [0,1,0,0,0,1|2,0,0]=4 5234 B11R0.114 COC(=O)CCSCC(C)(C)C 62a_100011219605_100000204255 [0,1,0,0,0,1|2,0,0]=4 5235 B11R0.114 COC(=O)CCSCC(C)(C)F 62a_100000204255_100011997219 [0,1,0,0,0,1|2,0,0]=4 5236 B11R0.114 COC(=O)CCSCC(C)(C)F 62a_100011997219_100000204255 [0,1,0,0,0,1|2,0,0]=4 5237 B11R0.114 COC(=O)CCSCC(C)(C)O 62a_100000204255_100000764493 [0,1,0,0,0,1|2,0,0]=4 5238 B11R0.114 COC(=O)CCSCC(C)(C)O 62a_100000764493_100000204255 [0,1,0,0,0,1|2,0,0]=4 5239 B11R0.114 COC(=O)CNCCC(C)(C)C 2230a_100000738805_100000747449 [0,1,0,0,0,1|2,0,0]=4 5240 B11R0.114 COC(=O)CNCCC(C)(C)F 2230a_100016253952_100000747449 [0,1,0,0,0,1|2,0,0]=4 5241 B11R0.114 COC(=O)COCCC(C)(C)C 7a_100000765024_100000747449 [0,1,0,0,0,1|1,0,0]=3 5242 B11R0.114 COC(=O)COCC[N+](C)(C)C 7a_200020618287_100000747449 [0,1,0,0,0,1|2,0,0]=4 5243 B11R0.114 COC(=O)COCC[Si](C)(C)C 7a_100000039746_100000747449 [0,1,0,0,0,1|1,1,0]=4 5244 B11R0.114 COC(=O)CSCCC(C)(C)C 62a_100000747449_100000755188 [0,1,0,0,0,1|1,1,0]=4 5245 B11R0.114 COC(=O)CSCCC(C)(C)C 62a_100000755188_100000747449 [0,1,0,0,0,1|1,1,0]=4 5246 B11R0.114 COC(=O)CSCCC(C)(C)O 62a_100000702414_100000747449 [0,1,0,0,0,1|1,1,0]=4 5247 B11R0.114 COC(=O)CSCCC(C)(C)O 62a_100000747449_100000702414 [0,1,0,0,0,1|1,1,0]=4 5248 B11R0.114 COC(=O)NCCOC(C)(C)C 34a_100000757965_100000210625 [0,1,0,0,0,1|2,0,0]=4 5249 B11R0.114 COC(=O)OCCOC(C)(C)C 34a_100010262106_100000210625 [0,1,0,0,0,1|1,0,0]=3 5250 B11R0.114 COC(=O)OCSCC(C)(C)C 62a_100011219605_100000139417 [0,1,0,0,0,1|1,0,0]=3 5251 B11R0.114 COC(=O)OCSCC(C)(C)F 62a_100011997219_100000139417 [0,1,0,0,0,1|1,0,0]=3 5252 B11R0.114 COC(=O)OCSCC(C)(C)O 62a_100000764493_100000139417 [0,1,0,0,0,1|1,0,0]=3 5253 B11R0.114 COC(=O)OCSC[N+](C)(C)C 62a_200000036245_100000139417 [0,1,0,0,0,1|2,0,0]=4 5254 B11R0.114 COC(=O)OCSC[Si](C)(C)C 62a_100000037933_100000139417 [0,1,0,0,0,1|1,1,0]=4 5255 B11R0.114 C[Si](C)(C)CCOCC(=O)CO 1458a_100000210174_100000032501 [0,1,0,0,0,1|1,1,0]=4 5256 B11R0.127 CCC(C)(C)COCCC(C)C 7a_100000765029_100000210626 [0,1,0,0,0,1|1,0,1]=4 5257 B11R0.127 CCC(C)(C)OCCCC(C)C 7a_100000210230_100011214892 [0,1,0,0,0,1|1,0,1]=4 5258 B11R0.127 CCC(C)(C)OCCCC(C)C 7a_100000210774_100000210677 [0,1,0,0,0,1|1,0,1]=4 5259 B11R0.127 CCC(C)(C)OCCOC(C)C 7a_100000210230_100000211751 [0,1,0,0,0,1|1,0,1]=4 5260 B11R0.127 CCC(C)(C)OCCOC(C)C 7a_100000211219_100000210677 [0,1,0,0,0,1|1,0,1]=4 5261 B11R0.127 CCC(C)(C)OCCSC(C)C 7a_100000210230_100000730970 [0,1,0,0,0,1|1,0,1]=4 5262 B11R0.127 CCC(C)(C)OCCSC(C)C 7a_200011212901_100000210677 [0,1,0,0,0,1|1,0,1]=4 5263 B11R0.127 CCS(=O)(=O)CCNCC(C)C 2230a_100000210953_100000756660 [0,1,0,0,0,1|2,0,0]=4 5264 B11R0.127 CCS(=O)(=O)CCNCC(C)C 2230a_100000751051_100000210760 [0,1,0,0,0,1|2,0,0]=4 5265 B11R0.127 CCS(=O)(=O)CCNCC(C)C 270004a_100000751051_100000210432 [0,1,0,0,0,1|2,0,0]=4 5266 B11R0.127 CCS(=O)(=O)CCNCC(C)C 34a_100000210953_100000756660 [0,1,0,0,0,1|2,0,0]=4 5267 B11R0.127 CCS(=O)(=O)CCNCC(C)C 34a_100000751051_100000210624 [0,1,0,0,0,1|2,0,0]=4 5268 B11R0.127 CCS(=O)(=O)CCOCC(C)C 34a_100000210257_100000756660 [0,1,0,0,0,1|2,0,0]=4 5269 B11R0.127 CCS(=O)(=O)CCOCC(C)C 34a_200011216379_100000210624 [0,1,0,0,0,1|2,0,0]=4 5270 B11R0.127 CCS(=O)(=O)CCOCC(C)C 7a_200011216379_100000210760 [0,1,0,0,0,1|2,0,0]=4 5271 B11R0.127 CCS(=O)(=O)CCSCC(C)C 62a_100000210624_100000756660 [0,1,0,0,0,1|2,0,0]=4 5272 B11R0.127 CCS(=O)(=O)CCSCC(C)C 62a_100000756660_100000210760 [0,1,0,0,0,1|2,0,0]=4 5273 B11R0.127 CCS(=O)(=O)NCCCC(C)C 270084a_200000737386_100000211323 [0,1,0,0,0,1|2,0,0]=4 5274 B11R0.127 CCS(=O)(=O)NCCCC(C)C 274078a_200000737386_100000211323 [0,1,0,0,0,1|2,0,0]=4 5275 B11R0.127 CCS(=O)(=O)NCCCC(C)C 40a_200000737386_100000053943 [0,1,0,0,0,1|2,0,0]=4 5276 B11R0.127 CCS(=O)(=O)NCCOC(C)C 274078a_100000701111_100000211323 [0,1,0,0,0,1|2,0,0]=4 5277 B11R0.127 CCS(=O)(=O)NCCOC(C)C 40a_100000701111_100000053943 [0,1,0,0,0,1|2,0,0]=4 5278 B11R0.127 CCS(=O)(=O)NCCSC(C)C 270084a_100000731138_100000211323 [0,1,0,0,0,1|2,0,0]=4 5279 B11R0.127 CCS(=O)(=O)NCCSC(C)C 274078a_100000731138_100000211323 [0,1,0,0,0,1|2,0,0]=4 5280 B11R0.127 CCS(=O)(=O)NCCSC(C)C 40a_100000731138_100000053943 [0,1,0,0,0,1|2,0,0]=4 5281 B11R0.145 C=C(CNCC(C)C)C(=O)OC 34a_100000210953_100009813391 [0,1,0,0,0,1|2,0,0]=4 5282 B11R0.145 C=C(COCC(C)C)C(=O)OC 34a_100000210257_100009813391 [0,1,0,0,0,1|2,0,0]=4 5283 B11R0.145 C=C(CSCC(C)C)C(=O)OC 62a_100000210624_100009813391 [0,1,0,0,0,1|2,0,0]=4 5284 B11R0.145 C=C(CSCC(C)C)C(=O)OC 62a_100009813391_100000210760 [0,1,0,0,0,1|2,0,0]=4 5285 B11R0.145 CC(C)CCOC(C)C(=O)NN 34a_100000725659_100000210312 [0,1,0,0,0,1|2,0,0]=4 5286 B11R0.145 CCC(=O)C(C)NCCC(C)O 2230a_200000755665_100000742827 [0,1,0,0,0,1|2,0,0]=4 5287 B11R0.145 CCC(=O)C(C)OCCC(=O)C 7a_100000759926_100000742827 [0,1,0,0,0,1|1,0,1]=4 5288 B11R0.145 CCC(=O)C(C)OCCC(C)C 7a_100000210254_100000742827 [0,1,0,0,0,1|0,0,0]=2 5289 B11R0.145 CCC(=O)C(C)SCCC(C)C 62a_100000210312_100000742827 [0,1,0,0,0,1|0,1,0]=3 5290 B11R0.145 CCC(=O)C(C)SCCC(C)C 62a_100000742827_100000210312 [0,1,0,0,0,1|0,1,0]=3 5291 B11R0.145 CCC(=O)C(C)SCCC(C)O 62a_100000742827_100012276601 [0,1,0,0,0,1|1,1,0]=4 5292 B11R0.145 CCC(=O)C(C)SCCC(C)O 62a_100012276601_100000742827 [0,1,0,0,0,1|1,1,0]=4 5293 B11R0.145 CCC(=O)C(C)SCCN(C)C 62a_100000742827_100000755713 [0,1,0,0,0,1|1,1,0]=4 5294 B11R0.145 CCC(=O)C(C)SCOC(C)C 62a_100000709892_100000742827 [0,1,0,0,0,1|1,1,0]=4 5295 B11R0.145 CCC(=O)C(C)SCOC(C)C 62a_100000742827_100000709892 [0,1,0,0,0,1|1,1,0]=4 5296 B11R0.145 CCC(=O)N(C)CCCN(C)C 240690a_100000225831_100000210414 [0,1,0,0,0,1|2,0,0]=4 5297 B11R0.145 CCC(C)C(C)OCCC(C)C 7a_100011215189_100000210626 [0,1,0,0,0,1|1,0,1]=4 5298 B11R0.145 CNC(=O)C(=O)CCCC(C)C 1458a_100011218921_100011214892 [0,1,0,0,0,1|2,0,0]=4 5299 B11R0.145 CNC(=O)C(=O)CCOC(C)C 1458a_100011218921_100000211751 [0,1,0,0,0,1|2,0,0]=4 5300 B11R0.145 CNC(=O)C(=O)CCSC(C)C 1458a_100011218921_100000730970 [0,1,0,0,0,1|2,0,0]=4 5301 B11R0.145 CNC(=O)C(=O)NCCC(C)C 1626a_100000210545_100011218921 [0,1,0,0,0,1|2,0,0]=4 5302 B11R0.145 CNC(=O)C(=O)NCCC(C)C 240690a_100000210545_100011218921 [0,1,0,0,0,1|2,0,0]=4 5303 B11R0.145 CNC(=O)C(=O)NCCC(C)C 527a_100000210545_100011218921 [0,1,0,0,0,1|2,0,0]=4 5304 B11R0.145 CNC(=O)C(C)CNCC(C)C 2230a_100015187722_100000210760 [0,1,0,0,0,1|2,0,0]=4 5305 B11R0.145 CNC(=O)C(C)CNCC(C)C 270004a_100015187722_100000210432 [0,1,0,0,0,1|2,0,0]=4 5306 B11R0.145 CNC(=O)C(C)CNCC(C)C 34a_100015187722_100000210624 [0,1,0,0,0,1|2,0,0]=4 5307 B11R0.145 CNC(=O)C(C)OCCC(C)Br 34a_100009893172_100000731044 [0,1,0,0,0,1|2,0,0]=4 5308 B11R0.145 CNC(=O)C(C)OCCC(C)C 34a_100000210254_100000731044 [0,1,0,0,0,1|1,0,0]=3 5309 B11R0.145 CNC(=O)C(C)OCCC(C)C 7a_100000210254_100000209862 [0,1,0,0,0,1|1,0,0]=3 5310 B11R0.145 CNC(=O)C(C)OCC[C@@H](C)N 34a_100000706166_100000731044 [0,1,0,0,0,1|2,0,0]=4 5311 B11R0.145 CNC(=O)C(C)SCCC(C)C 62a_100000209862_100000210312 [0,1,0,0,0,1|1,1,0]=4 5312 B11R0.145 CNC(=O)C(C)SCCC(C)C 62a_100000210312_100000731044 [0,1,0,0,0,1|1,1,0]=4 5313 B11R0.145 CNC(=O)C(F)OCCC(C)Br 34a_100009893172_100009813575 [0,1,0,0,0,1|2,0,0]=4 5314 B11R0.145 CNC(=O)C(F)OCCC(C)C 34a_100000210254_100009813575 [0,1,0,0,0,1|1,0,0]=3 5315 B11R0.145 CNC(=O)C(F)OCCC(C)C 7a_100000210254_100009813575 [0,1,0,0,0,1|1,0,0]=3 5316 B11R0.145 CNC(=O)C(F)OCC[C@@H](C)N 34a_100000706166_100009813575 [0,1,0,0,0,1|2,0,0]=4 5317 B11R0.145 CNC(=O)C(F)SCCC(C)C 62a_100000210312_100009813575 [0,1,0,0,0,1|1,1,0]=4 5318 B11R0.145 CNC(=O)C(F)SCCC(C)C 62a_100009813575_100000210312 [0,1,0,0,0,1|1,1,0]=4 5319 B11R0.145 CNC(=O)[C@@H](C)NCCC(C)C 2230a_100000684985_100000210312 [0,1,0,0,0,1|2,0,0]=4 5320 B11R0.145 CNC(=O)[C@@H](C)NCCC(C)C 34a_100000684985_100000210312 [0,1,0,0,0,1|2,0,0]=4 5321 B11R0.145 COC(=O)C(=O)CNCC(C)C 34a_100000210953_100011610305 [0,1,0,0,0,1|2,0,0]=4 5322 B11R0.145 COC(=O)C(=O)COCC(C)C 34a_100000210257_100011610305 [0,1,0,0,0,1|2,0,0]=4 5323 B11R0.145 COC(=O)C(=O)CSCC(C)C 62a_100000210624_100011610305 [0,1,0,0,0,1|2,0,0]=4 5324 B11R0.145 COC(=O)C(=O)CSCC(C)C 62a_100011610305_100000210760 [0,1,0,0,0,1|2,0,0]=4 5325 B11R0.145 COC(=O)C(=O)NCCC(C)C 11a_100000210545_100000024059 [0,1,0,0,0,1|2,0,0]=4 5326 B11R0.145 COC(=O)C(=O)NCCC(C)C 1626a_100000210545_100000024059 [0,1,0,0,0,1|2,0,0]=4 5327 B11R0.145 COC(=O)C(=O)NCCC(C)C 240690a_100000210545_100000024059 [0,1,0,0,0,1|2,0,0]=4 5328 B11R0.145 COC(=O)C(=O)NCCC(C)C 527a_100000210545_100000024059 [0,1,0,0,0,1|2,0,0]=4 5329 B11R0.145 COC(=O)C(C)CCNC(C)C 2230a_100138425928_100000034942 [0,1,0,0,0,1|2,0,0]=4 5330 B11R0.145 COC(=O)C(C)CCNC(C)C 34a_100138425928_100000034942 [0,1,0,0,0,1|2,0,0]=4 5331 B11R0.145 COC(=O)C(C)CCOC(C)C 34a_100000212225_100000034942 [0,1,0,0,0,1|2,0,0]=4 5332 B11R0.145 COC(=O)C(C)CCSC(C)C 62a_100000034942_100000210206 [0,1,0,0,0,1|2,0,0]=4 5333 B11R0.145 COC(=O)C(C)CCSC(C)C 62a_100000210206_100000034942 [0,1,0,0,0,1|2,0,0]=4 5334 B11R0.145 COC(=O)C(C)CNCC(C)C 34a_100000210953_100000698445 [0,1,0,0,0,1|2,0,0]=4 5335 B11R0.145 COC(=O)C(C)COCC(C)C 34a_100000210257_100000698445 [0,1,0,0,0,1|2,0,0]=4 5336 B11R0.145 COC(=O)C(C)COCC(C)C 34a_100000749362_100000210624 [0,1,0,0,0,1|2,0,0]=4 5337 B11R0.145 COC(=O)C(C)COCC(C)C 7a_100000749362_100000210760 [0,1,0,0,0,1|2,0,0]=4 5338 B11R0.145 COC(=O)C(C)CSCC(C)C 62a_100000210624_100000698445 [0,1,0,0,0,1|2,0,0]=4 5339 B11R0.145 COC(=O)C(C)CSCC(C)C 62a_100000698445_100000210760 [0,1,0,0,0,1|2,0,0]=4 5340 B11R0.145 COC(=O)C(C)OCCC(C)Br 34a_100009893172_100000211248 [0,1,0,0,0,1|2,0,0]=4 5341 B11R0.145 COC(=O)C(C)OCCC(C)C 34a_100000210254_100000211248 [0,1,0,0,0,1|1,0,0]=3 5342 B11R0.145 COC(=O)C(C)OCCC(C)C 34a_100011215400_100000210312 [0,1,0,0,0,1|1,0,0]=3 5343 B11R0.145 COC(=O)C(C)OCCC(C)C 7a_100000210254_100000211248 [0,1,0,0,0,1|1,0,0]=3 5344 B11R0.145 COC(=O)C(C)OCCC(C)O 34a_100011215400_100012276601 [0,1,0,0,0,1|2,0,0]=4 5345 B11R0.145 COC(=O)C(C)OCC[C@@H](C)N 34a_100000706166_100000211248 [0,1,0,0,0,1|2,0,0]=4 5346 B11R0.145 COC(=O)C(C)OCOC(C)C 34a_100011215400_100000709892 [0,1,0,0,0,1|2,0,0]=4 5347 B11R0.145 COC(=O)C(C)SCCC(C)C 62a_100000210312_100000211248 [0,1,0,0,0,1|1,1,0]=4 5348 B11R0.145 COC(=O)C(C)SCCC(C)C 62a_100000211248_100000210312 [0,1,0,0,0,1|1,1,0]=4 5349 B11R0.145 COC(=O)C(F)COCC(C)C 34a_200009849844_100000210624 [0,1,0,0,0,1|2,0,0]=4 5350 B11R0.145 COC(=O)[C@H](N)COCC(C)C 34a_100000003586_100000210624 [0,1,0,0,0,1|2,0,0]=4 5351 B11R0.176 C#CCC(=O)CCCCC(C)C 1458a_100011220946_100011216152 [0,1,0,0,0,1|1,0,1]=4 5352 B11R0.176 C#CCC(=O)CCCCC(C)C 1458a_100011933920_100000184674 [0,1,0,0,0,1|1,0,1]=4 5353 B11R0.176 C#CCC(=O)NCCCC(C)C 1626a_200000737386_100011220946 [0,1,0,0,0,1|1,0,1]=4 5354 B11R0.176 C#CCC(=O)NCCCC(C)C 527a_200000737386_100011220946 [0,1,0,0,0,1|1,0,1]=4 5355 B11R0.176 C#CCC(=O)NCCOC(C)C 1626a_100000701111_100011220946 [0,1,0,0,0,1|1,0,1]=4 5356 B11R0.176 C#CCC(=O)NCCOC(C)C 527a_100000701111_100011220946 [0,1,0,0,0,1|1,0,1]=4 5357 B11R0.176 C#CCC(=O)NCCSC(C)C 1626a_100000731138_100011220946 [0,1,0,0,0,1|1,0,1]=4 5358 B11R0.176 C#CCC(=O)NCCSC(C)C 527a_100000731138_100011220946 [0,1,0,0,0,1|1,0,1]=4 5359 B11R0.176 C=C(C)CCOCC(=O)NCC 34a_100000764851_100000183381 [0,1,0,0,0,1|0,0,2]=4 5360 B11R0.176 C=C(C)CCOCC(=O)OCC 34a_100000764851_100000188475 [0,1,0,0,0,1|0,0,2]=4 5361 B11R0.176 C=C(C)COCOC(=O)CCC 34a_100000210245_100000034017 [0,1,0,0,0,1|0,0,2]=4 5362 B11R0.176 C=C(C)CSCOC(=O)CCC 62a_100000748629_100000034017 [0,1,0,0,0,1|0,0,2]=4 5363 B11R0.176 C=C(C)CSCOC(=O)OCC 62a_100000748629_100000075025 [0,1,0,0,0,1|0,0,2]=4 5364 B11R0.176 C=CCC(=O)CCCCC(C)C 1458a_100000210193_100011216152 [0,1,0,0,0,1|1,0,1]=4 5365 B11R0.176 C=CCC(=O)CCCCC(C)C 1458a_100011933920_100000210623 [0,1,0,0,0,1|1,0,1]=4 5366 B11R0.176 C=CCC(=O)NCCCC(C)C 11a_200000737386_100000210193 [0,1,0,0,0,1|1,0,1]=4 5367 B11R0.176 C=CCC(=O)NCCCC(C)C 1626a_200000737386_100000210193 [0,1,0,0,0,1|1,0,1]=4 5368 B11R0.176 C=CCC(=O)NCCCC(C)C 240690a_200000737386_100000210193 [0,1,0,0,0,1|1,0,1]=4 5369 B11R0.176 C=CCC(=O)NCCCC(C)C 527a_200000737386_100000210193 [0,1,0,0,0,1|1,0,1]=4 5370 B11R0.176 C=CCC(=O)NCCOC(C)C 11a_100000701111_100000210193 [0,1,0,0,0,1|1,0,1]=4 5371 B11R0.176 C=CCC(=O)NCCOC(C)C 1626a_100000701111_100000210193 [0,1,0,0,0,1|1,0,1]=4 5372 B11R0.176 C=CCC(=O)NCCOC(C)C 240690a_100000701111_100000210193 [0,1,0,0,0,1|1,0,1]=4 5373 B11R0.176 C=CCC(=O)NCCOC(C)C 527a_100000701111_100000210193 [0,1,0,0,0,1|1,0,1]=4 5374 B11R0.176 C=CCC(=O)NCCSC(C)C 11a_100000731138_100000210193 [0,1,0,0,0,1|1,0,1]=4 5375 B11R0.176 C=CCC(=O)NCCSC(C)C 1626a_100000731138_100000210193 [0,1,0,0,0,1|1,0,1]=4 5376 B11R0.176 C=CCC(=O)NCCSC(C)C 240690a_100000731138_100000210193 [0,1,0,0,0,1|1,0,1]=4 5377 B11R0.176 C=CCC(=O)NCCSC(C)C 527a_100000731138_100000210193 [0,1,0,0,0,1|1,0,1]=4 5378 B11R0.176 C=COC(=O)COCCC(C)C 34a_100000210254_100000036128 [0,1,0,0,0,1|0,0,2]=4 5379 B11R0.176 CC#CC(=O)CCCCC(C)C 1458a_100000763181_100011216152 [0,1,0,0,0,1|1,0,1]=4 5380 B11R0.176 CC(Br)CCOCC(=O)NCO 34a_100009893172_100000185155 [0,1,0,0,0,1|2,0,0]=4 5381 B11R0.176 CC(C)CCCCC(=O)CC#N 1458a_100011933920_100011214920 [0,1,0,0,0,1|1,0,1]=4 5382 B11R0.176 CC(C)CCCCC(=O)CC#N 1458a_100051588842_100011216152 [0,1,0,0,0,1|1,0,1]=4 5383 B11R0.176 CC(C)CCCCC(=O)CCF 1458a_100011933920_100011217306 [0,1,0,0,0,1|1,0,0]=3 5384 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011216618_100011216152 [0,1,0,0,0,1|1,0,0]=3 5385 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011933920_100000211926 [0,1,0,0,0,1|1,0,0]=3 5386 B11R0.176 CC(C)CCCNC(=O)CC#N 1626a_200000737386_100051588842 [0,1,0,0,0,1|1,0,1]=4 5387 B11R0.176 CC(C)CCCNC(=O)CC#N 240690a_200000737386_100051588842 [0,1,0,0,0,1|1,0,1]=4 5388 B11R0.176 CC(C)CCCNC(=O)CCO 240690a_200000737386_100011216618 [0,1,0,0,0,1|1,0,0]=3 5389 B11R0.176 CC(C)CCCOC(C)CCBr 34a_100012276601_100011214892 [0,1,0,0,0,1|1,0,1]=4 5390 B11R0.176 CC(C)CCCOC(C)CCO 34a_100000210774_100009893172 [0,1,0,0,0,1|1,0,1]=4 5391 B11R0.176 CC(C)CCCOC(C)CCO 7a_100000210774_100009893172 [0,1,0,0,0,1|1,0,1]=4 5392 B11R0.176 CC(C)CCOCC(=O)NCO 34a_100000210254_100000185155 [0,1,0,0,0,1|1,0,0]=3 5393 B11R0.176 CC(C)CCOCC(=O)NCO 7a_100000210254_100000185155 [0,1,0,0,0,1|1,0,0]=3 5394 B11R0.176 CC(C)CCOCC(C)CCN 34a_106354213184_100000210312 [0,1,0,0,0,1|1,0,1]=4 5395 B11R0.176 CC(C)CCSCC(=O)NCO 62a_100000185155_100000210312 [0,1,0,0,0,1|1,1,0]=4 5396 B11R0.176 CC(C)CCSCC(=O)NCO 62a_100000210312_100000185155 [0,1,0,0,0,1|1,1,0]=4 5397 B11R0.176 CC(C)NCCOC(C)CCO 34a_100000224655_100009893172 [0,1,0,0,0,1|1,0,1]=4 5398 B11R0.176 CC(C)OCCNC(=O)CC#N 1626a_100000701111_100051588842 [0,1,0,0,0,1|1,0,1]=4 5399 B11R0.176 CC(C)OCCNC(=O)CC#N 240690a_100000701111_100051588842 [0,1,0,0,0,1|1,0,1]=4 5400 B11R0.176 CC(C)OCCNC(=O)CCO 240690a_100000701111_100011216618 [0,1,0,0,0,1|1,0,0]=3 5401 B11R0.176 CC(C)OCCOC(C)CCBr 34a_100012276601_100000211751 [0,1,0,0,0,1|1,0,1]=4 5402 B11R0.176 CC(C)OCCOC(C)CCO 34a_100000211219_100009893172 [0,1,0,0,0,1|1,0,1]=4 5403 B11R0.176 CC(C)OCCOC(C)CCO 7a_100000211219_100009893172 [0,1,0,0,0,1|1,0,1]=4 5404 B11R0.176 CC(C)SCCNC(=O)CC#N 1626a_100000731138_100051588842 [0,1,0,0,0,1|1,0,1]=4 5405 B11R0.176 CC(C)SCCNC(=O)CC#N 240690a_100000731138_100051588842 [0,1,0,0,0,1|1,0,1]=4 5406 B11R0.176 CC(C)SCCNC(=O)CCO 240690a_100000731138_100011216618 [0,1,0,0,0,1|1,0,0]=3 5407 B11R0.176 CC(CCBr)OCCSC(C)C 34a_100012276601_100000730970 [0,1,0,0,0,1|1,0,1]=4 5408 B11R0.176 CC(CCO)OCCSC(C)C 34a_200011212901_100009893172 [0,1,0,0,0,1|1,0,1]=4 5409 B11R0.176 CC(CCO)OCCSC(C)C 7a_200011212901_100009893172 [0,1,0,0,0,1|1,0,1]=4 5410 B11R0.176 CC=CC(=O)CCCCC(C)C 1458a_100000210699_100011216152 [0,1,0,0,0,1|1,0,1]=4 5411 B11R0.176 CC=CC(=O)NCCCC(C)C 11a_200000737386_100000210699 [0,1,0,0,0,1|1,0,1]=4 5412 B11R0.176 CC=CC(=O)NCCCC(C)C 1626a_200000737386_100000210699 [0,1,0,0,0,1|1,0,1]=4 5413 B11R0.176 CC=CC(=O)NCCCC(C)C 240690a_200000737386_100000210699 [0,1,0,0,0,1|1,0,1]=4 5414 B11R0.176 CC=CC(=O)NCCOC(C)C 11a_100000701111_100000210699 [0,1,0,0,0,1|1,0,1]=4 5415 B11R0.176 CC=CC(=O)NCCOC(C)C 1626a_100000701111_100000210699 [0,1,0,0,0,1|1,0,1]=4 5416 B11R0.176 CC=CC(=O)NCCOC(C)C 240690a_100000701111_100000210699 [0,1,0,0,0,1|1,0,1]=4 5417 B11R0.176 CC=CC(=O)NCCSC(C)C 11a_100000731138_100000210699 [0,1,0,0,0,1|1,0,1]=4 5418 B11R0.176 CC=CC(=O)NCCSC(C)C 1626a_100000731138_100000210699 [0,1,0,0,0,1|1,0,1]=4 5419 B11R0.176 CC=CC(=O)NCCSC(C)C 240690a_100000731138_100000210699 [0,1,0,0,0,1|1,0,1]=4 5420 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100000211992_100011216152 [0,1,0,0,0,1|1,0,0]=3 5421 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100011933920_100000210303 [0,1,0,0,0,1|1,0,0]=3 5422 B11R0.176 CCCC(=O)CNCCC(C)O 2230a_200000755665_100000747444 [0,1,0,0,0,1|2,0,0]=4 5423 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [0,1,0,0,0,1|1,0,1]=4 5424 B11R0.176 CCCC(=O)COCCC(C)C 7a_100000210254_100000747444 [0,1,0,0,0,1|0,0,0]=2 5425 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000210312_100000747444 [0,1,0,0,0,1|0,1,0]=3 5426 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000747444_100000210312 [0,1,0,0,0,1|0,1,0]=3 5427 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100000747444_100012276601 [0,1,0,0,0,1|1,1,0]=4 5428 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100012276601_100000747444 [0,1,0,0,0,1|1,1,0]=4 5429 B11R0.176 CCCC(=O)CSCCN(C)C 62a_100000747444_100000755713 [0,1,0,0,0,1|1,1,0]=4 5430 B11R0.176 CCCC(=O)CSCOC(C)C 62a_100000709892_100000747444 [0,1,0,0,0,1|1,1,0]=4 5431 B11R0.176 CCCC(=O)CSCOC(C)C 62a_100000747444_100000709892 [0,1,0,0,0,1|1,1,0]=4 5432 B11R0.176 CCCC(=O)NCCCC(C)C 11a_200000737386_100000211992 [0,1,0,0,0,1|1,0,0]=3 5433 B11R0.176 CCCC(=O)NCCCC(C)C 1626a_200000737386_100000211992 [0,1,0,0,0,1|1,0,0]=3 5434 B11R0.176 CCCC(=O)NCCCC(C)C 240690a_200000737386_100000211992 [0,1,0,0,0,1|1,0,0]=3 5435 B11R0.176 CCCC(=O)NCCCC(C)C 527a_200000737386_100000211992 [0,1,0,0,0,1|1,0,0]=3 5436 B11R0.176 CCCC(=O)NCCCN(C)C 240690a_102531767803_100000211992 [0,1,0,0,0,1|2,0,0]=4 5437 B11R0.176 CCCC(=O)NCCCN(C)C 527a_102531767803_100000211992 [0,1,0,0,0,1|2,0,0]=4 5438 B11R0.176 CCCC(=O)NCCOC(C)C 11a_100000701111_100000211992 [0,1,0,0,0,1|1,0,0]=3 5439 B11R0.176 CCCC(=O)NCCOC(C)C 1626a_100000701111_100000211992 [0,1,0,0,0,1|1,0,0]=3 5440 B11R0.176 CCCC(=O)NCCOC(C)C 240690a_100000701111_100000211992 [0,1,0,0,0,1|1,0,0]=3 5441 B11R0.176 CCCC(=O)NCCOC(C)C 527a_100000701111_100000211992 [0,1,0,0,0,1|1,0,0]=3 5442 B11R0.176 CCCC(=O)NCCSC(C)C 11a_100000731138_100000211992 [0,1,0,0,0,1|1,0,0]=3 5443 B11R0.176 CCCC(=O)NCCSC(C)C 1626a_100000731138_100000211992 [0,1,0,0,0,1|1,0,0]=3 5444 B11R0.176 CCCC(=O)NCCSC(C)C 240690a_100000731138_100000211992 [0,1,0,0,0,1|1,0,0]=3 5445 B11R0.176 CCCC(=O)NCCSC(C)C 527a_100000731138_100000211992 [0,1,0,0,0,1|1,0,0]=3 5446 B11R0.176 CCCC(=O)NN=CCC(C)C 4a_100000189770_100000185833 [0,1,0,0,0,1|1,0,1]=4 5447 B11R0.176 CCCC(=O)NNCCN(C)C 22a_100000738145_100000211992 [0,1,0,0,0,1|2,0,0]=4 5448 B11R0.176 CCCC(=O)OCNCC(C)C 2230a_100000210953_100000034017 [0,1,0,0,0,1|0,0,0]=2 5449 B11R0.176 CCCC(=O)OCNCC(C)C 34a_100000210953_100000034017 [0,1,0,0,0,1|0,0,0]=2 5450 B11R0.176 CCCC(=O)OCNCC(C)O 2230a_100000210904_100000034017 [0,1,0,0,0,1|1,0,0]=3 5451 B11R0.176 CCCC(=O)OCNCC(C)O 34a_100000210904_100000034017 [0,1,0,0,0,1|1,0,0]=3 5452 B11R0.176 CCCC(=O)OCNCC(F)F 34a_100000765723_100000034017 [0,1,0,0,0,1|2,0,0]=4 5453 B11R0.176 CCCC(=O)OCOCC(=O)C 34a_100000211253_100000034017 [0,1,0,0,0,1|1,0,1]=4 5454 B11R0.176 CCCC(=O)OCOCC(C)Br 34a_100012180447_100000034017 [0,1,0,0,0,1|1,0,0]=3 5455 B11R0.176 CCCC(=O)OCOCC(C)C 34a_100000210257_100000034017 [0,1,0,0,0,1|0,0,0]=2 5456 B11R0.176 CCCC(=O)OCOCC(C)F 34a_100015925927_100000034017 [0,1,0,0,0,1|1,0,0]=3 5457 B11R0.176 CCCC(=O)OCOCC(F)F 34a_100000743014_100000034017 [0,1,0,0,0,1|2,0,0]=4 5458 B11R0.176 CCCC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100000034017 [0,1,0,0,0,1|1,0,0]=3 5459 B11R0.176 CCCC(=O)OCOC[C@@H](C)N 34a_100000737577_100000034017 [0,1,0,0,0,1|1,0,0]=3 5460 B11R0.176 CCCC(=O)OCSCC(C)C 62a_100000210624_100000034017 [0,1,0,0,0,1|0,0,0]=2 5461 B11R0.176 CCCC(=O)OCSCC(C)O 62a_100011218427_100000034017 [0,1,0,0,0,1|1,0,0]=3 5462 B11R0.176 CCCC(=O)OCSCC(F)F 62a_100011934356_100000034017 [0,1,0,0,0,1|2,0,0]=4 5463 B11R0.176 CCCC(=O)OCSC[C@@H](C)O 62a_100009817552_100000034017 [0,1,0,0,0,1|1,0,0]=3 5464 B11R0.176 CCCC(C)COCCC(C)C 34a_100000210254_100011216630 [0,1,0,0,0,1|1,0,1]=4 5465 B11R0.176 CCCC(C)COCCC(C)C 34a_100000688023_100000210312 [0,1,0,0,0,1|1,0,1]=4 5466 B11R0.176 CCCC(C)COCCC(C)C 7a_100000210254_100011216630 [0,1,0,0,0,1|1,0,1]=4 5467 B11R0.176 CCCC(C)COCCC(C)C 7a_100000688023_100000210626 [0,1,0,0,0,1|1,0,1]=4 5468 B11R0.176 CCCC(C)OCCCC(C)C 34a_100000210774_100000766640 [0,1,0,0,0,1|1,0,1]=4 5469 B11R0.176 CCCC(C)OCCCC(C)C 34a_100000764384_100011214892 [0,1,0,0,0,1|1,0,1]=4 5470 B11R0.176 CCCC(C)OCCCC(C)C 7a_100000210774_100000766640 [0,1,0,0,0,1|1,0,1]=4 5471 B11R0.176 CCCC(C)OCCCC(C)C 7a_100000764384_100011214892 [0,1,0,0,0,1|1,0,1]=4 5472 B11R0.176 CCCC(C)OCCNC(C)C 34a_100000224655_100000766640 [0,1,0,0,0,1|1,0,1]=4 5473 B11R0.176 CCCC(C)OCCOC(C)C 34a_100000211219_100000766640 [0,1,0,0,0,1|1,0,1]=4 5474 B11R0.176 CCCC(C)OCCOC(C)C 34a_100000764384_100000211751 [0,1,0,0,0,1|1,0,1]=4 5475 B11R0.176 CCCC(C)OCCOC(C)C 7a_100000211219_100000766640 [0,1,0,0,0,1|1,0,1]=4 5476 B11R0.176 CCCC(C)OCCOC(C)C 7a_100000764384_100000211751 [0,1,0,0,0,1|1,0,1]=4 5477 B11R0.176 CCCC(C)OCCSC(C)C 34a_100000764384_100000730970 [0,1,0,0,0,1|1,0,1]=4 5478 B11R0.176 CCCC(C)OCCSC(C)C 34a_200011212901_100000766640 [0,1,0,0,0,1|1,0,1]=4 5479 B11R0.176 CCCC(C)OCCSC(C)C 7a_100000764384_100000730970 [0,1,0,0,0,1|1,0,1]=4 5480 B11R0.176 CCCC(C)OCCSC(C)C 7a_200011212901_100000766640 [0,1,0,0,0,1|1,0,1]=4 5481 B11R0.176 CCC[C@H](N)COCCC(C)C 34a_100000732646_100000210312 [0,1,0,0,0,1|1,0,1]=4 5482 B11R0.176 CCNC(=O)CCCCC(C)C 11a_100015525214_100011933920 [0,1,0,0,0,1|1,0,0]=3 5483 B11R0.176 CCNC(=O)CCCCC(C)C 240690a_100015525214_100011933920 [0,1,0,0,0,1|1,0,0]=3 5484 B11R0.176 CCNC(=O)CCCCC(C)C 527a_100015525214_100011933920 [0,1,0,0,0,1|1,0,0]=3 5485 B11R0.176 CCNC(=O)CCCCN(C)C 11a_100015525214_100000751710 [0,1,0,0,0,1|2,0,0]=4 5486 B11R0.176 CCNC(=O)CCCCN(C)C 240690a_100015525214_100000751710 [0,1,0,0,0,1|2,0,0]=4 5487 B11R0.176 CCNC(=O)CCCCN(C)C 527a_100015525214_100000751710 [0,1,0,0,0,1|2,0,0]=4 5488 B11R0.176 CCNC(=O)CCNCC(C)C 2230a_100000210953_100000737597 [0,1,0,0,0,1|1,0,0]=3 5489 B11R0.176 CCNC(=O)CCNCC(C)C 270004a_100025743525_100000210432 [0,1,0,0,0,1|1,0,0]=3 5490 B11R0.176 CCNC(=O)CCNCC(C)C 34a_100025743525_100000210624 [0,1,0,0,0,1|1,0,0]=3 5491 B11R0.176 CCNC(=O)CCNCC(C)O 2230a_100000210904_100000737597 [0,1,0,0,0,1|2,0,0]=4 5492 B11R0.176 CCNC(=O)CCNCC(C)O 34a_100025743525_100011218427 [0,1,0,0,0,1|2,0,0]=4 5493 B11R0.176 CCNC(=O)CCNC[C@@H](C)O 34a_100025743525_100009817552 [0,1,0,0,0,1|2,0,0]=4 5494 B11R0.176 CCNC(=O)CCSCC(C)C 62a_100000210624_100000737597 [0,1,0,0,0,1|1,0,0]=3 5495 B11R0.176 CCNC(=O)CCSCC(C)C 62a_100000737597_100000210760 [0,1,0,0,0,1|1,0,0]=3 5496 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100000737597_100011218427 [0,1,0,0,0,1|2,0,0]=4 5497 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100011218427_100000737597 [0,1,0,0,0,1|2,0,0]=4 5498 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100000737597_100009817552 [0,1,0,0,0,1|2,0,0]=4 5499 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737597 [0,1,0,0,0,1|2,0,0]=4 5500 B11R0.176 CCNC(=O)CNCCC(C)C 2230a_100016988866_100000210312 [0,1,0,0,0,1|1,0,0]=3 5501 B11R0.176 CCNC(=O)CNCCC(C)O 2230a_100016988866_100012276601 [0,1,0,0,0,1|2,0,0]=4 5502 B11R0.176 CCNC(=O)CNCCC(C)O 2230a_200000755665_100000183381 [0,1,0,0,0,1|2,0,0]=4 5503 B11R0.176 CCNC(=O)CNCOC(C)C 2230a_100016988866_100000709892 [0,1,0,0,0,1|2,0,0]=4 5504 B11R0.176 CCNC(=O)COCC=C(C)C 34a_100000753907_100000183381 [0,1,0,0,0,1|0,0,2]=4 5505 B11R0.176 CCNC(=O)COCCC(=O)C 34a_100000759926_100000183381 [0,1,0,0,0,1|1,0,1]=4 5506 B11R0.176 CCNC(=O)COCCC(=O)C 7a_100000759926_100000183381 [0,1,0,0,0,1|1,0,1]=4 5507 B11R0.176 CCNC(=O)COCCC(C)Br 34a_100009893172_100000183381 [0,1,0,0,0,1|1,0,0]=3 5508 B11R0.176 CCNC(=O)COCCC(C)C 34a_100000210254_100000183381 [0,1,0,0,0,1|0,0,0]=2 5509 B11R0.176 CCNC(=O)COCCC(C)C 7a_100000210254_100000183381 [0,1,0,0,0,1|0,0,0]=2 5510 B11R0.176 CCNC(=O)COCCC(F)F 34a_100103093639_100000183381 [0,1,0,0,0,1|2,0,0]=4 5511 B11R0.176 CCNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183381 [0,1,0,0,0,1|1,0,0]=3 5512 B11R0.176 CCNC(=O)CSCCC(C)C 62a_100000183381_100000210312 [0,1,0,0,0,1|0,1,0]=3 5513 B11R0.176 CCNC(=O)CSCCC(C)C 62a_100000210312_100000183381 [0,1,0,0,0,1|0,1,0]=3 5514 B11R0.176 CCNC(=O)CSCCC(C)O 62a_100000183381_100012276601 [0,1,0,0,0,1|1,1,0]=4 5515 B11R0.176 CCNC(=O)CSCCC(C)O 62a_100012276601_100000183381 [0,1,0,0,0,1|1,1,0]=4 5516 B11R0.176 CCNC(=O)CSCCN(C)C 62a_100000183381_100000755713 [0,1,0,0,0,1|1,1,0]=4 5517 B11R0.176 CCNC(=O)CSCOC(C)C 62a_100000183381_100000709892 [0,1,0,0,0,1|1,1,0]=4 5518 B11R0.176 CCNC(=O)CSCOC(C)C 62a_100000709892_100000183381 [0,1,0,0,0,1|1,1,0]=4 5519 B11R0.176 CCNC(=O)NCCCC(C)C 2708a_100015525214_200000737386 [0,1,0,0,0,1|1,0,0]=3 5520 B11R0.176 CCNC(=O)NCCCC(C)C 2708a_200000737386_100015525214 [0,1,0,0,0,1|1,0,0]=3 5521 B11R0.176 CCNC(=O)NCCCC(C)C 273464a_100015525214_200000737386 [0,1,0,0,0,1|1,0,0]=3 5522 B11R0.176 CCNC(=O)NCCCC(C)C 273464a_200000737386_100015525214 [0,1,0,0,0,1|1,0,0]=3 5523 B11R0.176 CCNC(=O)NCCCC(C)C 512a_100015525214_200000737386 [0,1,0,0,0,1|1,0,0]=3 5524 B11R0.176 CCNC(=O)NCCCC(C)C 512a_200000737386_100015525214 [0,1,0,0,0,1|1,0,0]=3 5525 B11R0.176 CCNC(=O)NCCCN(C)C 2708a_100015525214_102531767803 [0,1,0,0,0,1|2,0,0]=4 5526 B11R0.176 CCNC(=O)NCCCN(C)C 273464a_100015525214_102531767803 [0,1,0,0,0,1|2,0,0]=4 5527 B11R0.176 CCNC(=O)NCCCN(C)C 273464a_102531767803_100015525214 [0,1,0,0,0,1|2,0,0]=4 5528 B11R0.176 CCNC(=O)NCCCN(C)C 512a_100015525214_102531767803 [0,1,0,0,0,1|2,0,0]=4 5529 B11R0.176 CCNC(=O)NCCCN(C)C 512a_102531767803_100015525214 [0,1,0,0,0,1|2,0,0]=4 5530 B11R0.176 CCNC(=O)NCCOC(C)C 2708a_100000701111_100015525214 [0,1,0,0,0,1|1,0,0]=3 5531 B11R0.176 CCNC(=O)NCCOC(C)C 2708a_100015525214_100000701111 [0,1,0,0,0,1|1,0,0]=3 5532 B11R0.176 CCNC(=O)NCCOC(C)C 273464a_100000701111_100015525214 [0,1,0,0,0,1|1,0,0]=3 5533 B11R0.176 CCNC(=O)NCCOC(C)C 273464a_100015525214_100000701111 [0,1,0,0,0,1|1,0,0]=3 5534 B11R0.176 CCNC(=O)NCCOC(C)C 512a_100000701111_100015525214 [0,1,0,0,0,1|1,0,0]=3 5535 B11R0.176 CCNC(=O)NCCOC(C)C 512a_100015525214_100000701111 [0,1,0,0,0,1|1,0,0]=3 5536 B11R0.176 CCNC(=O)NCCSC(C)C 2708a_100000731138_100015525214 [0,1,0,0,0,1|1,0,0]=3 5537 B11R0.176 CCNC(=O)NCCSC(C)C 2708a_100015525214_100000731138 [0,1,0,0,0,1|1,0,0]=3 5538 B11R0.176 CCNC(=O)NCCSC(C)C 273464a_100000731138_100015525214 [0,1,0,0,0,1|1,0,0]=3 5539 B11R0.176 CCNC(=O)NCCSC(C)C 273464a_100015525214_100000731138 [0,1,0,0,0,1|1,0,0]=3 5540 B11R0.176 CCNC(=O)NCCSC(C)C 512a_100000731138_100015525214 [0,1,0,0,0,1|1,0,0]=3 5541 B11R0.176 CCNC(=O)NCCSC(C)C 512a_100015525214_100000731138 [0,1,0,0,0,1|1,0,0]=3 5542 B11R0.176 CCNC(=O)NNCCN(C)C 273464a_100015525214_100000738145 [0,1,0,0,0,1|2,0,0]=4 5543 B11R0.176 CCNC(=O)NNCCN(C)C 512a_100015525214_100000738145 [0,1,0,0,0,1|2,0,0]=4 5544 B11R0.176 CCOC(=O)/C=C/CNC(C)C 2230a_100138425928_100016267167 [0,1,0,0,0,1|1,0,1]=4 5545 B11R0.176 CCOC(=O)/C=C/CNC(C)C 34a_100138425928_100016267167 [0,1,0,0,0,1|1,0,1]=4 5546 B11R0.176 CCOC(=O)/C=C/COC(C)C 34a_100000212225_100016267167 [0,1,0,0,0,1|1,0,1]=4 5547 B11R0.176 CCOC(=O)/C=C/CSC(C)C 62a_100000210206_100016267167 [0,1,0,0,0,1|1,0,1]=4 5548 B11R0.176 CCOC(=O)/C=C/CSC(C)C 62a_100016267167_100000210206 [0,1,0,0,0,1|1,0,1]=4 5549 B11R0.176 CCOC(=O)CCCCN(C)C 2230a_100102631434_100000750268 [0,1,0,0,0,1|2,0,0]=4 5550 B11R0.176 CCOC(=O)CCCCN(C)C 269982a_100102631434_100000750268 [0,1,0,0,0,1|2,0,0]=4 5551 B11R0.176 CCOC(=O)CCCNC(C)C 2230a_100138425928_100009991533 [0,1,0,0,0,1|1,0,0]=3 5552 B11R0.176 CCOC(=O)CCCNC(C)C 34a_100138425928_100009991533 [0,1,0,0,0,1|1,0,0]=3 5553 B11R0.176 CCOC(=O)CCCOC(C)C 34a_100000212225_100009991533 [0,1,0,0,0,1|1,0,0]=3 5554 B11R0.176 CCOC(=O)CCCOC(C)C 7a_100012001163_100000210206 [0,1,0,0,0,1|1,0,0]=3 5555 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100000210206_100009991533 [0,1,0,0,0,1|1,0,0]=3 5556 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100009991533_100000210206 [0,1,0,0,0,1|1,0,0]=3 5557 B11R0.176 CCOC(=O)CCNCC(C)C 2230a_100000210953_100011206558 [0,1,0,0,0,1|1,0,0]=3 5558 B11R0.176 CCOC(=O)CCNCC(C)C 34a_100000210953_100000765890 [0,1,0,0,0,1|1,0,0]=3 5559 B11R0.176 CCOC(=O)CCNCC(C)O 2230a_100000210904_100011206558 [0,1,0,0,0,1|2,0,0]=4 5560 B11R0.176 CCOC(=O)CCNCC(C)O 34a_100000210904_100000765890 [0,1,0,0,0,1|2,0,0]=4 5561 B11R0.176 CCOC(=O)CCOCC(C)Br 34a_100012180447_100000765890 [0,1,0,0,0,1|2,0,0]=4 5562 B11R0.176 CCOC(=O)CCOCC(C)C 34a_100000210257_100000765890 [0,1,0,0,0,1|1,0,0]=3 5563 B11R0.176 CCOC(=O)CCOCC(C)F 34a_100015925927_100000765890 [0,1,0,0,0,1|2,0,0]=4 5564 B11R0.176 CCOC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000765890 [0,1,0,0,0,1|2,0,0]=4 5565 B11R0.176 CCOC(=O)CCOC[C@@H](C)N 34a_100000737577_100000765890 [0,1,0,0,0,1|2,0,0]=4 5566 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000210624_100000765890 [0,1,0,0,0,1|1,0,0]=3 5567 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000765890_100000210760 [0,1,0,0,0,1|1,0,0]=3 5568 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100000765890_100011218427 [0,1,0,0,0,1|2,0,0]=4 5569 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100011218427_100000765890 [0,1,0,0,0,1|2,0,0]=4 5570 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100000765890_100009817552 [0,1,0,0,0,1|2,0,0]=4 5571 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100009817552_100000765890 [0,1,0,0,0,1|2,0,0]=4 5572 B11R0.176 CCOC(=O)CNCCC(C)O 2230a_200000755665_100000188475 [0,1,0,0,0,1|2,0,0]=4 5573 B11R0.176 CCOC(=O)COCC=C(C)C 34a_100000753907_100000188475 [0,1,0,0,0,1|0,0,2]=4 5574 B11R0.176 CCOC(=O)COCCC(=O)C 1458a_100000070787_100000088970 [0,1,0,0,0,1|1,0,1]=4 5575 B11R0.176 CCOC(=O)COCCC(=O)C 34a_100000759926_100000188475 [0,1,0,0,0,1|1,0,1]=4 5576 B11R0.176 CCOC(=O)COCCC(=O)C 7a_100000759926_100000188475 [0,1,0,0,0,1|1,0,1]=4 5577 B11R0.176 CCOC(=O)COCCC(C)Br 34a_100009893172_100000188475 [0,1,0,0,0,1|1,0,0]=3 5578 B11R0.176 CCOC(=O)COCCC(C)C 34a_100000210254_100000188475 [0,1,0,0,0,1|0,0,0]=2 5579 B11R0.176 CCOC(=O)COCCC(C)C 7a_100000210254_100000188475 [0,1,0,0,0,1|0,0,0]=2 5580 B11R0.176 CCOC(=O)COCCC(F)F 34a_100103093639_100000188475 [0,1,0,0,0,1|2,0,0]=4 5581 B11R0.176 CCOC(=O)COCCN(C)C 2230a_100102631434_100000088970 [0,1,0,0,0,1|1,0,0]=3 5582 B11R0.176 CCOC(=O)COCCN(C)C 269982a_100102631434_100000088970 [0,1,0,0,0,1|1,0,0]=3 5583 B11R0.176 CCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000188475 [0,1,0,0,0,1|1,0,0]=3 5584 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000188475_100000210312 [0,1,0,0,0,1|0,1,0]=3 5585 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000210312_100000188475 [0,1,0,0,0,1|0,1,0]=3 5586 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100000188475_100012276601 [0,1,0,0,0,1|1,1,0]=4 5587 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100012276601_100000188475 [0,1,0,0,0,1|1,1,0]=4 5588 B11R0.176 CCOC(=O)CSCCN(C)C 62a_100000188475_100000755713 [0,1,0,0,0,1|1,1,0]=4 5589 B11R0.176 CCOC(=O)CSCOC(C)C 62a_100000188475_100000709892 [0,1,0,0,0,1|1,1,0]=4 5590 B11R0.176 CCOC(=O)CSCOC(C)C 62a_100000709892_100000188475 [0,1,0,0,0,1|1,1,0]=4 5591 B11R0.176 CCOC(=O)NCCOC(C)C 34a_100000158857_100000210206 [0,1,0,0,0,1|1,0,0]=3 5592 B11R0.176 CCOC(=O)NCCSC(C)C 62a_100000210206_200011445536 [0,1,0,0,0,1|1,0,0]=3 5593 B11R0.176 CCOC(=O)OCSCC(C)C 62a_100000210624_100000075025 [0,1,0,0,0,1|0,0,0]=2 5594 B11R0.176 CCOC(=O)OCSCC(C)O 62a_100011218427_100000075025 [0,1,0,0,0,1|1,0,0]=3 5595 B11R0.176 CCOC(=O)OCSCC(F)F 62a_100011934356_100000075025 [0,1,0,0,0,1|2,0,0]=4 5596 B11R0.176 CCOC(=O)OCSC[C@@H](C)O 62a_100009817552_100000075025 [0,1,0,0,0,1|1,0,0]=3 5597 B11R0.176 CN(C)CCCNC(=O)CCO 240690a_102531767803_100011216618 [0,1,0,0,0,1|2,0,0]=4 5598 B11R0.176 CN(C)CCNNC(=O)CCO 22a_100000738145_100011216618 [0,1,0,0,0,1|2,0,0]=4 5599 B11R0.176 CNNC(=O)CCCCC(C)C 22a_100016993582_100011933920 [0,1,0,0,0,1|2,0,0]=4 5600 B11R0.176 CNNC(=O)NCCCC(C)C 273464a_200000737386_100016993582 [0,1,0,0,0,1|2,0,0]=4 5601 B11R0.176 CNNC(=O)NCCCC(C)C 512a_100016993582_200000737386 [0,1,0,0,0,1|2,0,0]=4 5602 B11R0.176 CNNC(=O)NCCCC(C)C 512a_200000737386_100016993582 [0,1,0,0,0,1|2,0,0]=4 5603 B11R0.176 CNNC(=O)NCCOC(C)C 273464a_100000701111_100016993582 [0,1,0,0,0,1|2,0,0]=4 5604 B11R0.176 CNNC(=O)NCCOC(C)C 512a_100000701111_100016993582 [0,1,0,0,0,1|2,0,0]=4 5605 B11R0.176 CNNC(=O)NCCOC(C)C 512a_100016993582_100000701111 [0,1,0,0,0,1|2,0,0]=4 5606 B11R0.176 CNNC(=O)NCCSC(C)C 273464a_100000731138_100016993582 [0,1,0,0,0,1|2,0,0]=4 5607 B11R0.176 CNNC(=O)NCCSC(C)C 512a_100000731138_100016993582 [0,1,0,0,0,1|2,0,0]=4 5608 B11R0.176 CNNC(=O)NCCSC(C)C 512a_100016993582_100000731138 [0,1,0,0,0,1|2,0,0]=4 5609 B11R0.176 COCC(=O)CCCCC(C)C 1458a_100000210968_100011216152 [0,1,0,0,0,1|1,0,0]=3 5610 B11R0.176 COCC(=O)NCCCC(C)C 11a_200000737386_100000210968 [0,1,0,0,0,1|1,0,0]=3 5611 B11R0.176 COCC(=O)NCCCC(C)C 1626a_200000737386_100000210968 [0,1,0,0,0,1|1,0,0]=3 5612 B11R0.176 COCC(=O)NCCCC(C)C 240690a_200000737386_100000210968 [0,1,0,0,0,1|1,0,0]=3 5613 B11R0.176 COCC(=O)NCCCC(C)C 527a_200000737386_100000210968 [0,1,0,0,0,1|1,0,0]=3 5614 B11R0.176 COCC(=O)NCCCN(C)C 240690a_102531767803_100000210968 [0,1,0,0,0,1|2,0,0]=4 5615 B11R0.176 COCC(=O)NCCCN(C)C 527a_102531767803_100000210968 [0,1,0,0,0,1|2,0,0]=4 5616 B11R0.176 COCC(=O)NCCOC(C)C 11a_100000701111_100000210968 [0,1,0,0,0,1|1,0,0]=3 5617 B11R0.176 COCC(=O)NCCOC(C)C 1626a_100000701111_100000210968 [0,1,0,0,0,1|1,0,0]=3 5618 B11R0.176 COCC(=O)NCCOC(C)C 240690a_100000701111_100000210968 [0,1,0,0,0,1|1,0,0]=3 5619 B11R0.176 COCC(=O)NCCOC(C)C 527a_100000701111_100000210968 [0,1,0,0,0,1|1,0,0]=3 5620 B11R0.176 COCC(=O)NCCSC(C)C 11a_100000731138_100000210968 [0,1,0,0,0,1|1,0,0]=3 5621 B11R0.176 COCC(=O)NCCSC(C)C 1626a_100000731138_100000210968 [0,1,0,0,0,1|1,0,0]=3 5622 B11R0.176 COCC(=O)NCCSC(C)C 240690a_100000731138_100000210968 [0,1,0,0,0,1|1,0,0]=3 5623 B11R0.176 COCC(=O)NCCSC(C)C 527a_100000731138_100000210968 [0,1,0,0,0,1|1,0,0]=3 5624 B11R0.176 COCC(=O)NN=CCC(C)C 4a_100000216845_100000185833 [0,1,0,0,0,1|1,0,1]=4 5625 B11R0.176 COCC(=O)NNCCN(C)C 22a_100000738145_100000210968 [0,1,0,0,0,1|2,0,0]=4 5626 B11R0.176 COCC(C)OCCCC(C)C 34a_100000210774_100000765312 [0,1,0,0,0,1|1,0,1]=4 5627 B11R0.176 COCC(C)OCCCC(C)C 7a_100000210774_100000765312 [0,1,0,0,0,1|1,0,1]=4 5628 B11R0.176 COCC(C)OCCNC(C)C 34a_100000224655_100000765312 [0,1,0,0,0,1|1,0,1]=4 5629 B11R0.176 COCC(C)OCCOC(C)C 34a_100000211219_100000765312 [0,1,0,0,0,1|1,0,1]=4 5630 B11R0.176 COCC(C)OCCOC(C)C 7a_100000211219_100000765312 [0,1,0,0,0,1|1,0,1]=4 5631 B11R0.176 COCC(C)OCCSC(C)C 34a_200011212901_100000765312 [0,1,0,0,0,1|1,0,1]=4 5632 B11R0.176 COCC(C)OCCSC(C)C 7a_200011212901_100000765312 [0,1,0,0,0,1|1,0,1]=4 5633 B11R0.176 COCC(N)COCCC(C)C 34a_100000724102_100000210312 [0,1,0,0,0,1|1,0,1]=4 5634 B11R0.176 COCC(O)COCCC(C)C 34a_100000210254_100011215053 [0,1,0,0,0,1|0,0,2]=4 5635 B11R0.176 COCC(O)COCCC(C)C 7a_100000210254_100011215053 [0,1,0,0,0,1|0,0,2]=4 5636 B11R0.176 COC[C@@H](C)OCCCC(C)C 34a_100011934205_100011214892 [0,1,0,0,0,1|1,0,1]=4 5637 B11R0.176 COC[C@@H](C)OCCOC(C)C 34a_100011934205_100000211751 [0,1,0,0,0,1|1,0,1]=4 5638 B11R0.176 COC[C@@H](C)OCCSC(C)C 34a_100011934205_100000730970 [0,1,0,0,0,1|1,0,1]=4 5639 B11R0.176 CSCC(=O)CCCCC(C)C 1458a_100000184570_100011216152 [0,1,0,0,0,1|1,0,0]=3 5640 B11R0.176 CSCC(=O)NCCCC(C)C 11a_200000737386_100000184570 [0,1,0,0,0,1|1,0,0]=3 5641 B11R0.176 CSCC(=O)NCCCC(C)C 1626a_200000737386_100000184570 [0,1,0,0,0,1|1,0,0]=3 5642 B11R0.176 CSCC(=O)NCCCC(C)C 240690a_200000737386_100000184570 [0,1,0,0,0,1|1,0,0]=3 5643 B11R0.176 CSCC(=O)NCCCC(C)C 527a_200000737386_100000184570 [0,1,0,0,0,1|1,0,0]=3 5644 B11R0.176 CSCC(=O)NCCCN(C)C 240690a_102531767803_100000184570 [0,1,0,0,0,1|2,0,0]=4 5645 B11R0.176 CSCC(=O)NCCCN(C)C 527a_102531767803_100000184570 [0,1,0,0,0,1|2,0,0]=4 5646 B11R0.176 CSCC(=O)NCCOC(C)C 11a_100000701111_100000184570 [0,1,0,0,0,1|1,0,0]=3 5647 B11R0.176 CSCC(=O)NCCOC(C)C 1626a_100000701111_100000184570 [0,1,0,0,0,1|1,0,0]=3 5648 B11R0.176 CSCC(=O)NCCOC(C)C 240690a_100000701111_100000184570 [0,1,0,0,0,1|1,0,0]=3 5649 B11R0.176 CSCC(=O)NCCOC(C)C 527a_100000701111_100000184570 [0,1,0,0,0,1|1,0,0]=3 5650 B11R0.176 CSCC(=O)NCCSC(C)C 11a_100000731138_100000184570 [0,1,0,0,0,1|1,0,0]=3 5651 B11R0.176 CSCC(=O)NCCSC(C)C 1626a_100000731138_100000184570 [0,1,0,0,0,1|1,0,0]=3 5652 B11R0.176 CSCC(=O)NCCSC(C)C 240690a_100000731138_100000184570 [0,1,0,0,0,1|1,0,0]=3 5653 B11R0.176 CSCC(=O)NCCSC(C)C 527a_100000731138_100000184570 [0,1,0,0,0,1|1,0,0]=3 5654 B11R0.176 CSCC(=O)NNCCN(C)C 22a_100000738145_100000184570 [0,1,0,0,0,1|2,0,0]=4 5655 B11R0.176 C[C@@H](N)CCOCC(=O)NCO 34a_100000706166_100000185155 [0,1,0,0,0,1|2,0,0]=4 5656 B11R0.1 C#CCC(=O)NC(C)CC(C)C 1626a_100000692259_100011220946 [0,2,0,0,0,0|1,0,1]=4 5657 B11R0.1 C#CCC(=O)NC(C)CC(C)C 527a_100000692259_100011220946 [0,2,0,0,0,0|1,0,1]=4 5658 B11R0.1 C=CCC(=O)NC(C)CC(C)C 11a_100000692259_100000210193 [0,2,0,0,0,0|1,0,1]=4 5659 B11R0.1 C=CCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210193 [0,2,0,0,0,0|1,0,1]=4 5660 B11R0.1 C=CCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210193 [0,2,0,0,0,0|1,0,1]=4 5661 B11R0.1 C=CCC(=O)NC(C)CC(C)C 527a_100000692259_100000210193 [0,2,0,0,0,0|1,0,1]=4 5662 B11R0.1 CC(C)CC(C)NC(=O)CC#N 1626a_100000692259_100051588842 [0,2,0,0,0,0|1,0,1]=4 5663 B11R0.1 CC(C)CC(C)NC(=O)CC#N 240690a_100000692259_100051588842 [0,2,0,0,0,0|1,0,1]=4 5664 B11R0.1 CC(C)CC(C)NC(=O)CCO 240690a_100000692259_100011216618 [0,2,0,0,0,0|1,0,0]=3 5665 B11R0.1 CC(C)CC(C)OC(C)CCBr 34a_100012276601_100000731052 [0,2,0,0,0,0|1,0,1]=4 5666 B11R0.1 CC(C)CC(C)OC(C)CCO 34a_100000211805_100009893172 [0,2,0,0,0,0|1,0,1]=4 5667 B11R0.1 CC(C)CC(C)OC(C)CCO 7a_100000211805_100009893172 [0,2,0,0,0,0|1,0,1]=4 5668 B11R0.1 CC(CN(C)C)NC(=O)CCO 240690a_100016992788_100011216618 [0,2,0,0,0,0|2,0,0]=4 5669 B11R0.1 CC=CC(=O)NC(C)CC(C)C 11a_100000692259_100000210699 [0,2,0,0,0,0|1,0,1]=4 5670 B11R0.1 CC=CC(=O)NC(C)CC(C)C 1626a_100000692259_100000210699 [0,2,0,0,0,0|1,0,1]=4 5671 B11R0.1 CC=CC(=O)NC(C)CC(C)C 240690a_100000692259_100000210699 [0,2,0,0,0,0|1,0,1]=4 5672 B11R0.1 CCCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747444 [0,2,0,0,0,0|1,0,1]=4 5673 B11R0.1 CCCC(=O)CN(C)CC(C)C 2230a_100000747067_100000747444 [0,2,0,0,0,0|2,0,0]=4 5674 B11R0.1 CCCC(=O)CN(C)CC(C)C 269982a_100000747067_100000747444 [0,2,0,0,0,0|2,0,0]=4 5675 B11R0.1 CCCC(=O)NC(C)CC(C)C 11a_100000692259_100000211992 [0,2,0,0,0,0|1,0,0]=3 5676 B11R0.1 CCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000211992 [0,2,0,0,0,0|1,0,0]=3 5677 B11R0.1 CCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000211992 [0,2,0,0,0,0|1,0,0]=3 5678 B11R0.1 CCCC(=O)NC(C)CC(C)C 527a_100000692259_100000211992 [0,2,0,0,0,0|1,0,0]=3 5679 B11R0.1 CCCC(=O)NC(C)CN(C)C 11a_100016992788_100000211992 [0,2,0,0,0,0|2,0,0]=4 5680 B11R0.1 CCCC(=O)NC(C)CN(C)C 240690a_100016992788_100000211992 [0,2,0,0,0,0|2,0,0]=4 5681 B11R0.1 CCCC(=O)NC(C)CN(C)C 527a_100016992788_100000211992 [0,2,0,0,0,0|2,0,0]=4 5682 B11R0.1 CCCC(C)OC(C)CC(C)C 34a_100000211805_100000766640 [0,2,0,0,0,0|1,0,1]=4 5683 B11R0.1 CCCC(C)OC(C)CC(C)C 34a_100000764384_100000731052 [0,2,0,0,0,0|1,0,1]=4 5684 B11R0.1 CCCC(C)OC(C)CC(C)C 7a_100000211805_100000766640 [0,2,0,0,0,0|1,0,1]=4 5685 B11R0.1 CCCC(C)OC(C)CC(C)C 7a_100000764384_100000731052 [0,2,0,0,0,0|1,0,1]=4 5686 B11R0.1 CCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183381 [0,2,0,0,0,0|1,0,1]=4 5687 B11R0.1 CCNC(=O)CN(C)CC(C)C 2230a_100000741943_100000210760 [0,2,0,0,0,0|2,0,0]=4 5688 B11R0.1 CCNC(=O)CN(C)CC(C)C 2230a_100000747067_100000183381 [0,2,0,0,0,0|2,0,0]=4 5689 B11R0.1 CCNC(=O)CN(C)CC(C)C 269982a_100000741943_100000210624 [0,2,0,0,0,0|2,0,0]=4 5690 B11R0.1 CCNC(=O)CN(C)CC(C)C 269982a_100000747067_100000183381 [0,2,0,0,0,0|2,0,0]=4 5691 B11R0.1 CCNC(=O)CN(C)CC(C)C 270004a_100000741943_100000210432 [0,2,0,0,0,0|2,0,0]=4 5692 B11R0.1 CCNC(=O)NC(C)CC(C)C 2708a_100000692259_100015525214 [0,2,0,0,0,0|1,0,0]=3 5693 B11R0.1 CCNC(=O)NC(C)CC(C)C 2708a_100015525214_100000692259 [0,2,0,0,0,0|1,0,0]=3 5694 B11R0.1 CCNC(=O)NC(C)CC(C)C 273464a_100000692259_100015525214 [0,2,0,0,0,0|1,0,0]=3 5695 B11R0.1 CCNC(=O)NC(C)CC(C)C 512a_100000692259_100015525214 [0,2,0,0,0,0|1,0,0]=3 5696 B11R0.1 CCNC(=O)NC(C)CC(C)C 512a_100015525214_100000692259 [0,2,0,0,0,0|1,0,0]=3 5697 B11R0.1 CCNC(=O)NC(C)CN(C)C 2708a_100015525214_100016992788 [0,2,0,0,0,0|2,0,0]=4 5698 B11R0.1 CCNC(=O)NC(C)CN(C)C 273464a_100015525214_100016992788 [0,2,0,0,0,0|2,0,0]=4 5699 B11R0.1 CCNC(=O)NC(C)CN(C)C 273464a_100016992788_100015525214 [0,2,0,0,0,0|2,0,0]=4 5700 B11R0.1 CCNC(=O)NC(C)CN(C)C 512a_100015525214_100016992788 [0,2,0,0,0,0|2,0,0]=4 5701 B11R0.1 CCNC(=O)NC(C)CN(C)C 512a_100016992788_100015525214 [0,2,0,0,0,0|2,0,0]=4 5702 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000210554_100000188475 [0,2,0,0,0,0|1,0,1]=4 5703 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000243816_100000210624 [0,2,0,0,0,0|1,0,1]=4 5704 B11R0.1 CCOC(=O)CC(C)NC(C)C 2230a_100138425928_100009817359 [0,2,0,0,0,0|2,0,0]=4 5705 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100000210206_100009817359 [0,2,0,0,0,0|2,0,0]=4 5706 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100009817359_100000210206 [0,2,0,0,0,0|2,0,0]=4 5707 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000220588_100000210760 [0,2,0,0,0,0|2,0,0]=4 5708 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000747067_100000188475 [0,2,0,0,0,0|2,0,0]=4 5709 B11R0.1 CCOC(=O)CN(C)CC(C)C 269982a_100000747067_100000188475 [0,2,0,0,0,0|2,0,0]=4 5710 B11R0.1 CCOC(=O)CN(C)CC(C)C 270004a_100000220588_100000210432 [0,2,0,0,0,0|2,0,0]=4 5711 B11R0.1 CCOC(=O)C[C@@H](C)OC(C)C 7a_100009816390_100000210206 [0,2,0,0,0,0|2,0,0]=4 5712 B11R0.1 CCOC(=O)C[C@H](O)CN(C)C 269982a_100102631434_100000688340 [0,2,0,0,0,0|2,0,0]=4 5713 B11R0.1 CCOC(=O)OC(C)SC(C)C 62a_100000036008_100000210206 [0,2,0,0,0,0|1,0,0]=3 5714 B11R0.1 CCOC(=O)OC(C)SC(C)C 62a_100000210206_100000036008 [0,2,0,0,0,0|1,0,0]=3 5715 B11R0.1 CNNC(=O)NC(C)CC(C)C 273464a_100000692259_100016993582 [0,2,0,0,0,0|2,0,0]=4 5716 B11R0.1 CNNC(=O)NC(C)CC(C)C 512a_100000692259_100016993582 [0,2,0,0,0,0|2,0,0]=4 5717 B11R0.1 CNNC(=O)NC(C)CC(C)C 512a_100016993582_100000692259 [0,2,0,0,0,0|2,0,0]=4 5718 B11R0.1 COCC(=O)NC(C)CC(C)C 11a_100000692259_100000210968 [0,2,0,0,0,0|1,0,0]=3 5719 B11R0.1 COCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210968 [0,2,0,0,0,0|1,0,0]=3 5720 B11R0.1 COCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210968 [0,2,0,0,0,0|1,0,0]=3 5721 B11R0.1 COCC(=O)NC(C)CC(C)C 527a_100000692259_100000210968 [0,2,0,0,0,0|1,0,0]=3 5722 B11R0.1 COCC(=O)NC(C)CN(C)C 11a_100016992788_100000210968 [0,2,0,0,0,0|2,0,0]=4 5723 B11R0.1 COCC(=O)NC(C)CN(C)C 240690a_100016992788_100000210968 [0,2,0,0,0,0|2,0,0]=4 5724 B11R0.1 COCC(=O)NC(C)CN(C)C 527a_100016992788_100000210968 [0,2,0,0,0,0|2,0,0]=4 5725 B11R0.1 COCC(C)OC(C)CC(C)C 34a_100000211805_100000765312 [0,2,0,0,0,0|1,0,1]=4 5726 B11R0.1 COCC(C)OC(C)CC(C)C 7a_100000211805_100000765312 [0,2,0,0,0,0|1,0,1]=4 5727 B11R0.1 COC[C@@H](C)OC(C)CC(C)C 34a_100011934205_100000731052 [0,2,0,0,0,0|1,0,1]=4 5728 B11R0.1 CSCC(=O)NC(C)CC(C)C 11a_100000692259_100000184570 [0,2,0,0,0,0|1,0,0]=3 5729 B11R0.1 CSCC(=O)NC(C)CC(C)C 1626a_100000692259_100000184570 [0,2,0,0,0,0|1,0,0]=3 5730 B11R0.1 CSCC(=O)NC(C)CC(C)C 240690a_100000692259_100000184570 [0,2,0,0,0,0|1,0,0]=3 5731 B11R0.1 CSCC(=O)NC(C)CC(C)C 527a_100000692259_100000184570 [0,2,0,0,0,0|1,0,0]=3 5732 B11R0.1 CSCC(=O)NC(C)CN(C)C 11a_100016992788_100000184570 [0,2,0,0,0,0|2,0,0]=4 5733 B11R0.1 CSCC(=O)NC(C)CN(C)C 240690a_100016992788_100000184570 [0,2,0,0,0,0|2,0,0]=4 5734 B11R0.1 CSCC(=O)NC(C)CN(C)C 527a_100016992788_100000184570 [0,2,0,0,0,0|2,0,0]=4 5735 B11R0.6 C=C(C)CC(=O)CCCC(C)C 1458a_100011216857_100000748629 [0,2,0,0,0,0|1,0,0]=3 5736 B11R0.6 C=C(C)CC(=O)COCC(C)C 1458a_100011223364_100000748629 [0,2,0,0,0,0|2,0,0]=4 5737 B11R0.6 C=C(F)CC(=O)CCCC(C)C 1458a_100011216857_100009893438 [0,2,0,0,0,0|1,0,1]=4 5738 B11R0.6 CC(=CC(=O)CCCC(C)C)C 1458a_100000211388_100011214892 [0,2,0,0,0,0|1,0,1]=4 5739 B11R0.6 CC(=CC(=O)CCCC(C)C)Cl 1458a_200042562850_100011214892 [0,2,0,0,0,0|1,0,1]=4 5740 B11R0.6 CC(=CC(=O)CCCC(C)C)I 1458a_100025716642_100011214892 [0,2,0,0,0,0|1,0,1]=4 5741 B11R0.6 CC(=CC(=O)NCCC(C)C)C 11a_100000210545_100000211388 [0,2,0,0,0,0|1,0,1]=4 5742 B11R0.6 CC(=CC(=O)NCCC(C)C)C 1626a_100000210545_100000211388 [0,2,0,0,0,0|1,0,1]=4 5743 B11R0.6 CC(=CC(=O)NCCC(C)C)C 240690a_100000210545_100000211388 [0,2,0,0,0,0|1,0,1]=4 5744 B11R0.6 CC(=CC(=O)NCCC(C)C)Cl 11a_100000210545_200042562850 [0,2,0,0,0,0|1,0,1]=4 5745 B11R0.6 CC(=CC(=O)NCCC(C)C)Cl 1626a_100000210545_200042562850 [0,2,0,0,0,0|1,0,1]=4 5746 B11R0.6 CC(=CC(=O)NCCC(C)C)Cl 240690a_100000210545_200042562850 [0,2,0,0,0,0|1,0,1]=4 5747 B11R0.6 CC(=CC(=O)NCCC(C)C)I 11a_100000210545_100025716642 [0,2,0,0,0,0|1,0,1]=4 5748 B11R0.6 CC(=CC(=O)NCCC(C)C)I 1626a_100000210545_100025716642 [0,2,0,0,0,0|1,0,1]=4 5749 B11R0.6 CC(=O)CC(=O)OCCN(C)C 269982a_100102631434_100000102702 [0,2,0,0,0,0|1,0,0]=3 5750 B11R0.6 CC(=O)CCOC(=O)CC(=O)C 1458a_100000070787_100000102702 [0,2,0,0,0,0|1,0,1]=4 5751 B11R0.6 CC(C)CC(=O)CCCC(C)O 1458a_100000210554_200000718107 [0,2,0,0,0,0|2,0,0]=4 5752 B11R0.6 CC(C)CC(=O)CCCN(C)C 1458a_100000210554_100000695564 [0,2,0,0,0,0|2,0,0]=4 5753 B11R0.6 CC(C)CC(=O)CCOC(C)C 1458a_100000210554_100000211751 [0,2,0,0,0,0|2,0,0]=4 5754 B11R0.6 CC(C)CC(=O)CCSC(C)C 1458a_100000210554_100000730970 [0,2,0,0,0,0|2,0,0]=4 5755 B11R0.6 CC(C)CC(=O)NCCC(C)O 240690a_200000755665_100000210554 [0,2,0,0,0,0|2,0,0]=4 5756 B11R0.6 CC(C)CC(=O)NCCC(C)O 527a_200000755665_100000210554 [0,2,0,0,0,0|2,0,0]=4 5757 B11R0.6 CC(C)CC(=O)NCCN(C)C 240690a_100000210585_100000210554 [0,2,0,0,0,0|2,0,0]=4 5758 B11R0.6 CC(C)CC(=O)NCCN(C)C 527a_100000210585_100000210554 [0,2,0,0,0,0|2,0,0]=4 5759 B11R0.6 CC(C)CCCC(=O)CC(=O)N 1458a_100011216857_100000187820 [0,2,0,0,0,0|1,0,1]=4 5760 B11R0.6 CC(C)CCCC(=O)CC(=O)N 1458a_100134613110_100011214892 [0,2,0,0,0,0|1,0,1]=4 5761 B11R0.6 CC(C)CCCC(=O)CC(=O)[O-] 1458a_100011216857_100020667443 [0,2,0,0,0,0|1,0,1]=4 5762 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100000210554_100011214892 [0,2,0,0,0,0|1,0,0]=3 5763 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100011216857_100000210624 [0,2,0,0,0,0|1,0,0]=3 5764 B11R0.6 CC(C)CCCC(=O)CC(C)O 1458a_100011216857_100011218427 [0,2,0,0,0,0|1,0,0]=3 5765 B11R0.6 CC(C)CCCC(=O)CC(F)F 1458a_100011216857_100011934356 [0,2,0,0,0,0|1,0,0]=3 5766 B11R0.6 CC(C)CCCC(=O)CN(C)C 1458a_100000750896_100011214892 [0,2,0,0,0,0|1,0,0]=3 5767 B11R0.6 CC(C)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011214892 [0,2,0,0,0,0|1,0,0]=3 5768 B11R0.6 CC(C)CCCC(=O)C[N+](=O)[O-] 1458a_100011216857_100000761209 [0,2,0,0,0,0|2,0,0]=4 5769 B11R0.6 CC(C)CCCC(=O)C[S+](C)C 1458a_200159257847_100011214892 [0,2,0,0,0,0|1,0,0]=3 5770 B11R0.6 CC(C)CCCC(=O)NC(C)C 11a_100138425928_100011216857 [0,2,0,0,0,0|1,0,0]=3 5771 B11R0.6 CC(C)CCCC(=O)NC(C)C 1626a_100138425928_100011216857 [0,2,0,0,0,0|1,0,0]=3 5772 B11R0.6 CC(C)CCCC(=O)NC(C)C 240690a_100138425928_100011216857 [0,2,0,0,0,0|1,0,0]=3 5773 B11R0.6 CC(C)CCCC(=O)NC(C)C 527a_100138425928_100011216857 [0,2,0,0,0,0|1,0,0]=3 5774 B11R0.6 CC(C)CCNC(=O)CC(=O)N 240690a_100000210545_100134613110 [0,2,0,0,0,0|1,0,1]=4 5775 B11R0.6 CC(C)CCNC(=O)CC(=O)N 527a_100000210545_100134613110 [0,2,0,0,0,0|1,0,1]=4 5776 B11R0.6 CC(C)CCNC(=O)CC(C)C 11a_100000210545_100000210554 [0,2,0,0,0,0|1,0,0]=3 5777 B11R0.6 CC(C)CCNC(=O)CC(C)C 1626a_100000210545_100000210554 [0,2,0,0,0,0|1,0,0]=3 5778 B11R0.6 CC(C)CCNC(=O)CC(C)C 240690a_100000210545_100000210554 [0,2,0,0,0,0|1,0,0]=3 5779 B11R0.6 CC(C)CCNC(=O)CC(C)C 527a_100000210545_100000210554 [0,2,0,0,0,0|1,0,0]=3 5780 B11R0.6 CC(C)CCNC(=O)CN(C)C 11a_100000210545_100000750896 [0,2,0,0,0,0|1,0,0]=3 5781 B11R0.6 CC(C)CCNC(=O)CN(C)C 240690a_100000210545_100000750896 [0,2,0,0,0,0|1,0,0]=3 5782 B11R0.6 CC(C)CCNC(=O)CN(C)C 527a_100000210545_100000750896 [0,2,0,0,0,0|1,0,0]=3 5783 B11R0.6 CC(C)CCNC(=O)C[C@@H](C)O 240690a_100000210545_100011933948 [0,2,0,0,0,0|1,0,0]=3 5784 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 11a_100000210545_200159257847 [0,2,0,0,0,0|1,0,0]=3 5785 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 1626a_100000210545_200159257847 [0,2,0,0,0,0|1,0,0]=3 5786 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 240690a_100000210545_200159257847 [0,2,0,0,0,0|1,0,0]=3 5787 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 527a_100000210545_200159257847 [0,2,0,0,0,0|1,0,0]=3 5788 B11R0.6 CC(C)CCNC(=O)NC(C)C 2708a_100000210545_100138425928 [0,2,0,0,0,0|1,0,0]=3 5789 B11R0.6 CC(C)CCNC(=O)NC(C)C 2708a_100138425928_100000210545 [0,2,0,0,0,0|1,0,0]=3 5790 B11R0.6 CC(C)CCNC(=O)NC(C)C 273464a_100138425928_100000210545 [0,2,0,0,0,0|1,0,0]=3 5791 B11R0.6 CC(C)CCNC(=O)NC(C)C 512a_100000210545_100138425928 [0,2,0,0,0,0|1,0,0]=3 5792 B11R0.6 CC(C)CCNC(=O)NC(C)C 512a_100138425928_100000210545 [0,2,0,0,0,0|1,0,0]=3 5793 B11R0.6 CC(C)CCOC(C)CC(C)C 34a_100000210254_100000731052 [0,2,0,0,0,0|1,0,1]=4 5794 B11R0.6 CC(C)CCOC(C)CC(C)C 34a_100000211805_100000210312 [0,2,0,0,0,0|1,0,1]=4 5795 B11R0.6 CC(C)CCOC(C)CC(C)C 7a_100000210254_100000731052 [0,2,0,0,0,0|1,0,1]=4 5796 B11R0.6 CC(C)CCOC(C)CC(C)C 7a_100000211805_100000210626 [0,2,0,0,0,0|1,0,1]=4 5797 B11R0.6 CC(C)CNCC(=O)NC(C)C 2230a_100000168517_100000210760 [0,2,0,0,0,0|2,0,0]=4 5798 B11R0.6 CC(C)CNCC(=O)NC(C)C 2230a_100000210953_100000183996 [0,2,0,0,0,0|2,0,0]=4 5799 B11R0.6 CC(C)CNCC(=O)NC(C)C 270004a_100000168517_100000210432 [0,2,0,0,0,0|2,0,0]=4 5800 B11R0.6 CC(C)CNCC(=O)NC(C)C 34a_100000210953_100000183996 [0,2,0,0,0,0|2,0,0]=4 5801 B11R0.6 CC(C)CNCC(=O)OC(C)C 2230a_100000210953_100011215430 [0,2,0,0,0,0|2,0,0]=4 5802 B11R0.6 CC(C)CNCC(=O)OC(C)C 34a_100000210953_100011215430 [0,2,0,0,0,0|2,0,0]=4 5803 B11R0.6 CC(C)CNNC(=O)CC(C)C 22a_100000696102_100000210554 [0,2,0,0,0,0|2,0,0]=4 5804 B11R0.6 CC(C)CNNC(=O)CN(C)C 22a_100000696102_100000750896 [0,2,0,0,0,0|2,0,0]=4 5805 B11R0.6 CC(C)CNNC(=O)C[C@@H](C)O 22a_100000696102_100011933948 [0,2,0,0,0,0|2,0,0]=4 5806 B11R0.6 CC(C)CNNC(=O)C[S+](C)C 22a_100000696102_200159257847 [0,2,0,0,0,0|2,0,0]=4 5807 B11R0.6 CC(C)CNNC(=O)NC(C)C 273464a_100138425928_100000696102 [0,2,0,0,0,0|2,0,0]=4 5808 B11R0.6 CC(C)CNNC(=O)NC(C)C 512a_100000696102_100138425928 [0,2,0,0,0,0|2,0,0]=4 5809 B11R0.6 CC(C)CNNC(=O)NC(C)C 512a_100138425928_100000696102 [0,2,0,0,0,0|2,0,0]=4 5810 B11R0.6 CC(C)COCC(=O)CC(C)C 1458a_100011223364_100000210624 [0,2,0,0,0,0|2,0,0]=4 5811 B11R0.6 CC(C)COCC(=O)CC(C)O 1458a_100011223364_100011218427 [0,2,0,0,0,0|2,0,0]=4 5812 B11R0.6 CC(C)COCC(=O)CC(F)F 1458a_100011223364_100011934356 [0,2,0,0,0,0|2,0,0]=4 5813 B11R0.6 CC(C)COCC(=O)NC(C)C 11a_100138425928_100011223364 [0,2,0,0,0,0|2,0,0]=4 5814 B11R0.6 CC(C)COCC(=O)NC(C)C 1626a_100138425928_100011223364 [0,2,0,0,0,0|2,0,0]=4 5815 B11R0.6 CC(C)COCC(=O)NC(C)C 240690a_100138425928_100011223364 [0,2,0,0,0,0|2,0,0]=4 5816 B11R0.6 CC(C)COCC(=O)NC(C)C 34a_100000210257_100000183996 [0,2,0,0,0,0|2,0,0]=4 5817 B11R0.6 CC(C)COCC(=O)NC(C)C 527a_100138425928_100011223364 [0,2,0,0,0,0|2,0,0]=4 5818 B11R0.6 CC(C)COCC(=O)OC(C)C 34a_100000210257_100011215430 [0,2,0,0,0,0|2,0,0]=4 5819 B11R0.6 CC(C)CSCC(=O)NC(C)C 62a_100000183996_100000210760 [0,2,0,0,0,0|2,0,0]=4 5820 B11R0.6 CC(C)CSCC(=O)NC(C)C 62a_100000210624_100000183996 [0,2,0,0,0,0|2,0,0]=4 5821 B11R0.6 CC(C)CSCC(=O)OC(C)C 62a_100000210624_100011215430 [0,2,0,0,0,0|2,0,0]=4 5822 B11R0.6 CC(C)CSCC(=O)OC(C)C 62a_100011215430_100000210760 [0,2,0,0,0,0|2,0,0]=4 5823 B11R0.6 CC(C)NC(=O)CCCN(C)C 11a_100138425928_100000740757 [0,2,0,0,0,0|2,0,0]=4 5824 B11R0.6 CC(C)NC(=O)CCCN(C)C 240690a_100138425928_100000740757 [0,2,0,0,0,0|2,0,0]=4 5825 B11R0.6 CC(C)NC(=O)CCSC(C)C 62a_100000210206_100000737564 [0,2,0,0,0,0|2,0,0]=4 5826 B11R0.6 CC(C)NC(=O)CCSC(C)C 62a_100000737564_100000210206 [0,2,0,0,0,0|2,0,0]=4 5827 B11R0.6 CC(C)NC(=O)NCCN(C)C 2708a_100138425928_100000210585 [0,2,0,0,0,0|2,0,0]=4 5828 B11R0.6 CC(C)NC(=O)NCCN(C)C 273464a_100138425928_100000210585 [0,2,0,0,0,0|2,0,0]=4 5829 B11R0.6 CC(C)NC(=O)NCCN(C)C 512a_100138425928_100000210585 [0,2,0,0,0,0|2,0,0]=4 5830 B11R0.6 CC(C)NCCC(=O)NC(C)C 2230a_100138425928_100000737564 [0,2,0,0,0,0|2,0,0]=4 5831 B11R0.6 CC(C)NCCC(=O)OC(C)C 2230a_100138425928_100000760027 [0,2,0,0,0,0|2,0,0]=4 5832 B11R0.6 CC(C)OC(=O)CCSC(C)C 62a_100000210206_100000760027 [0,2,0,0,0,0|2,0,0]=4 5833 B11R0.6 CC(C)OC(=O)CCSC(C)C 62a_100000760027_100000210206 [0,2,0,0,0,0|2,0,0]=4 5834 B11R0.6 CC(C)OC(=O)OCSC(C)C 62a_100000003507_100000210206 [0,2,0,0,0,0|1,0,0]=3 5835 B11R0.6 CC(C)OC(=O)OCSC(C)C 62a_100000210206_100000003507 [0,2,0,0,0,0|1,0,0]=3 5836 B11R0.6 CC(C)OCCC(=O)CN(C)C 1458a_100000750896_100000211751 [0,2,0,0,0,0|2,0,0]=4 5837 B11R0.6 CC(C)OCCC(=O)C[C@@H](C)O 1458a_100011933948_100000211751 [0,2,0,0,0,0|2,0,0]=4 5838 B11R0.6 CC(C)OCCC(=O)C[S+](C)C 1458a_200159257847_100000211751 [0,2,0,0,0,0|2,0,0]=4 5839 B11R0.6 CC(C)SCCC(=O)CN(C)C 1458a_100000750896_100000730970 [0,2,0,0,0,0|2,0,0]=4 5840 B11R0.6 CC(C)SCCC(=O)C[C@@H](C)O 1458a_100011933948_100000730970 [0,2,0,0,0,0|2,0,0]=4 5841 B11R0.6 CC(C)SCCC(=O)C[S+](C)C 1458a_200159257847_100000730970 [0,2,0,0,0,0|2,0,0]=4 5842 B11R0.6 CC(O)CCCC(=O)CN(C)C 1458a_100000750896_200000718107 [0,2,0,0,0,0|2,0,0]=4 5843 B11R0.6 CC(O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_200000718107 [0,2,0,0,0,0|2,0,0]=4 5844 B11R0.6 CC(O)CCCC(=O)C[S+](C)C 1458a_200159257847_200000718107 [0,2,0,0,0,0|2,0,0]=4 5845 B11R0.6 CC(O)CCCC(=O)NC(C)C 1626a_100138425928_100000761597 [0,2,0,0,0,0|2,0,0]=4 5846 B11R0.6 CC(O)CCCC(=O)NC(C)C 527a_100138425928_100000761597 [0,2,0,0,0,0|2,0,0]=4 5847 B11R0.6 CC(O)CCNC(=O)CN(C)C 240690a_200000755665_100000750896 [0,2,0,0,0,0|2,0,0]=4 5848 B11R0.6 CC(O)CCNC(=O)CN(C)C 527a_200000755665_100000750896 [0,2,0,0,0,0|2,0,0]=4 5849 B11R0.6 CC(O)CCNC(=O)C[C@@H](C)O 240690a_200000755665_100011933948 [0,2,0,0,0,0|2,0,0]=4 5850 B11R0.6 CC(O)CCNC(=O)C[S+](C)C 240690a_200000755665_200159257847 [0,2,0,0,0,0|2,0,0]=4 5851 B11R0.6 CC(O)CCNC(=O)C[S+](C)C 527a_200000755665_200159257847 [0,2,0,0,0,0|2,0,0]=4 5852 B11R0.6 CC(O)CCNC(=O)NC(C)C 2708a_100138425928_200000755665 [0,2,0,0,0,0|2,0,0]=4 5853 B11R0.6 CC(O)CCNC(=O)NC(C)C 512a_100138425928_200000755665 [0,2,0,0,0,0|2,0,0]=4 5854 B11R0.6 CC(O)CCNC(=O)NC(C)C 512a_200000755665_100138425928 [0,2,0,0,0,0|2,0,0]=4 5855 B11R0.6 CN(C)CCCC(=O)CN(C)C 1458a_100000750896_100000695564 [0,2,0,0,0,0|2,0,0]=4 5856 B11R0.6 CN(C)CCCC(=O)C[S+](C)C 1458a_200159257847_100000695564 [0,2,0,0,0,0|2,0,0]=4 5857 B11R0.6 CN(C)CCNC(=O)CN(C)C 240690a_100000210585_100000750896 [0,2,0,0,0,0|2,0,0]=4 5858 B11R0.6 CN(C)CCNC(=O)CN(C)C 527a_100000210585_100000750896 [0,2,0,0,0,0|2,0,0]=4 5859 B11R0.6 CN(C)CCNC(=O)C[S+](C)C 240690a_100000210585_200159257847 [0,2,0,0,0,0|2,0,0]=4 5860 B11R0.6 CN(C)CCNC(=O)C[S+](C)C 527a_100000210585_200159257847 [0,2,0,0,0,0|2,0,0]=4 5861 B11R0.6 C[C@@H](O)CC(=O)CCCN(C)C 1458a_100011933948_100000695564 [0,2,0,0,0,0|2,0,0]=4 5862 B11R0.6 C[C@@H](O)CC(=O)NCCN(C)C 240690a_100000210585_100011933948 [0,2,0,0,0,0|2,0,0]=4 5863 B11R0.45 C#CC(CCC)OCCC(C)C 34a_200011217317_100000210312 [0,2,0,0,0,0|1,0,1]=4 5864 B11R0.45 C#CC(CCC)OCCC(C)C 7a_200011217317_100000210626 [0,2,0,0,0,0|1,0,1]=4 5865 B11R0.45 C#CCC(CC)OCCC(C)C 34a_200011217983_100000210312 [0,2,0,0,0,0|1,0,1]=4 5866 B11R0.45 C#CCC(CC)OCCC(C)C 7a_200011217983_100000210626 [0,2,0,0,0,0|1,0,1]=4 5867 B11R0.45 C=CC(CCC)OCCC(C)C 34a_100011216692_100000210312 [0,2,0,0,0,0|1,0,1]=4 5868 B11R0.45 C=CC(CCC)OCCC(C)C 7a_100011216692_100000210626 [0,2,0,0,0,0|1,0,1]=4 5869 B11R0.45 CC#CC(CC)OCCC(C)C 34a_200011219922_100000210312 [0,2,0,0,0,0|1,0,1]=4 5870 B11R0.45 CC#CC(CC)OCCC(C)C 7a_200011219922_100000210626 [0,2,0,0,0,0|1,0,1]=4 5871 B11R0.45 CCC(COC)OCCC(C)C 7a_200011214946_100000210626 [0,2,0,0,0,0|0,0,2]=4 5872 B11R0.45 CCCC(C#N)OCCC(C)C 34a_100000686963_100000210312 [0,2,0,0,0,0|1,0,1]=4 5873 B11R0.45 CCCC(C#N)OCCC(C)C 7a_100000686963_100000210626 [0,2,0,0,0,0|1,0,1]=4 5874 B11R0.45 CCCC(CC)OCCC(C)C 34a_100000687864_100000210312 [0,2,0,0,0,0|1,0,1]=4 5875 B11R0.45 CCCC(CC)OCCC(C)C 7a_100000210254_100011219200 [0,2,0,0,0,0|1,0,1]=4 5876 B11R0.45 CCCC(CC)OCCC(C)C 7a_100000687864_100000210626 [0,2,0,0,0,0|1,0,1]=4 5877 B11R0.45 COCC(CCl)OCCC(C)C 34a_100011215053_100000210312 [0,2,0,0,0,0|1,0,1]=4 5878 B11R0.45 COCC(CN)OCCC(C)C 34a_100000756049_100000210312 [0,2,0,0,0,0|1,0,1]=4 5879 B11R0.59 C#CCC(=O)C(C)CCC(C)C 1458a_100011220946_100011261404 [0,2,0,0,0,0|1,0,1]=4 5880 B11R0.59 C#CCC(=O)N(C)CCC(C)C 1626a_100000742789_100011220946 [0,2,0,0,0,0|1,0,1]=4 5881 B11R0.59 C#CCC(=O)N(C)CCC(C)C 527a_100000742789_100011220946 [0,2,0,0,0,0|1,0,1]=4 5882 B11R0.59 C=C(CNC(C)C)C(=O)OCC 34a_100138425928_100000755967 [0,2,0,0,0,0|2,0,0]=4 5883 B11R0.59 C=C(COC(C)C)C(=O)OCC 34a_100000212225_100000755967 [0,2,0,0,0,0|2,0,0]=4 5884 B11R0.59 C=C(CSC(C)C)C(=O)OCC 62a_100000210206_100000755967 [0,2,0,0,0,0|2,0,0]=4 5885 B11R0.59 C=C(CSC(C)C)C(=O)OCC 62a_100000755967_100000210206 [0,2,0,0,0,0|2,0,0]=4 5886 B11R0.59 C=CCC(=O)C(C)CCC(C)C 1458a_100000210193_100011261404 [0,2,0,0,0,0|1,0,1]=4 5887 B11R0.59 C=CCC(=O)N(C)CCC(C)C 11a_100000742789_100000210193 [0,2,0,0,0,0|1,0,1]=4 5888 B11R0.59 C=CCC(=O)N(C)CCC(C)C 1626a_100000742789_100000210193 [0,2,0,0,0,0|1,0,1]=4 5889 B11R0.59 C=CCC(=O)N(C)CCC(C)C 240690a_100000742789_100000210193 [0,2,0,0,0,0|1,0,1]=4 5890 B11R0.59 C=CCC(=O)N(C)CCC(C)C 527a_100000742789_100000210193 [0,2,0,0,0,0|1,0,1]=4 5891 B11R0.59 CC#CC(=O)C(C)CCC(C)C 1458a_100000763181_100011261404 [0,2,0,0,0,0|1,0,1]=4 5892 B11R0.59 CC(C)CCC(C)C(=O)CC#N 1458a_100051588842_100011261404 [0,2,0,0,0,0|1,0,1]=4 5893 B11R0.59 CC(C)CCC(C)C(=O)CCO 1458a_100011216618_100011261404 [0,2,0,0,0,0|1,0,0]=3 5894 B11R0.59 CC(C)CCN(C)C(=O)CC#N 1626a_100000742789_100051588842 [0,2,0,0,0,0|1,0,1]=4 5895 B11R0.59 CC(C)CCN(C)C(=O)CC#N 240690a_100000742789_100051588842 [0,2,0,0,0,0|1,0,1]=4 5896 B11R0.59 CC(C)CCN(C)C(=O)CCO 240690a_100000742789_100011216618 [0,2,0,0,0,0|1,0,0]=3 5897 B11R0.59 CC(C)CNC(=O)C(=O)CCF 1458a_200011297155_100011217306 [0,2,0,0,0,0|2,0,0]=4 5898 B11R0.59 CC(C)CNC(=O)C(=O)CCO 1458a_200011297155_100000211926 [0,2,0,0,0,0|2,0,0]=4 5899 B11R0.59 CC/C=C(\C)/C(=O)CCC(C)C 1458a_100016988807_100000210312 [0,2,0,0,0,0|2,0,0]=4 5900 B11R0.59 CC=CC(=O)C(C)CCC(C)C 1458a_100000210699_100011261404 [0,2,0,0,0,0|1,0,1]=4 5901 B11R0.59 CC=CC(=O)N(C)CCC(C)C 11a_100000742789_100000210699 [0,2,0,0,0,0|1,0,1]=4 5902 B11R0.59 CC=CC(=O)N(C)CCC(C)C 1626a_100000742789_100000210699 [0,2,0,0,0,0|1,0,1]=4 5903 B11R0.59 CC=CC(=O)N(C)CCC(C)C 240690a_100000742789_100000210699 [0,2,0,0,0,0|1,0,1]=4 5904 B11R0.59 CCCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210303 [0,2,0,0,0,0|2,0,0]=4 5905 B11R0.59 CCCC(=O)C(C)CCC(C)C 1458a_100000211992_100011261404 [0,2,0,0,0,0|1,0,0]=3 5906 B11R0.59 CCCC(=O)N(C)CCC(C)C 11a_100000742789_100000211992 [0,2,0,0,0,0|1,0,0]=3 5907 B11R0.59 CCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000211992 [0,2,0,0,0,0|1,0,0]=3 5908 B11R0.59 CCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000211992 [0,2,0,0,0,0|1,0,0]=3 5909 B11R0.59 CCCC(=O)N(C)CCC(C)C 527a_100000742789_100000211992 [0,2,0,0,0,0|1,0,0]=3 5910 B11R0.59 CCCC(=O)N(C)CCN(C)C 240690a_100000225618_100000211992 [0,2,0,0,0,0|2,0,0]=4 5911 B11R0.59 CCCC(=O)N(C)CCN(C)C 527a_100000225618_100000211992 [0,2,0,0,0,0|2,0,0]=4 5912 B11R0.59 CCNC(=O)C(=O)CCC(C)C 1458a_200011297158_100000210312 [0,2,0,0,0,0|1,0,0]=3 5913 B11R0.59 CCNC(=O)C(=O)CCC(C)O 1458a_200011297158_100012276601 [0,2,0,0,0,0|2,0,0]=4 5914 B11R0.59 CCNC(=O)C(=O)NCC(C)C 1626a_100000210953_200011297158 [0,2,0,0,0,0|2,0,0]=4 5915 B11R0.59 CCNC(=O)C(=O)NCC(C)C 240690a_100000210953_200011297158 [0,2,0,0,0,0|2,0,0]=4 5916 B11R0.59 CCNC(=O)C(=O)NCC(C)C 240690a_100015525214_200011297155 [0,2,0,0,0,0|2,0,0]=4 5917 B11R0.59 CCNC(=O)C(=O)NCC(C)C 527a_100000210953_200011297158 [0,2,0,0,0,0|2,0,0]=4 5918 B11R0.59 CCNC(=O)C(=O)NCC(C)C 527a_100015525214_200011297155 [0,2,0,0,0,0|2,0,0]=4 5919 B11R0.59 CCNC(=O)C(C)NCC(C)C 2230a_100000210953_100000230173 [0,2,0,0,0,0|2,0,0]=4 5920 B11R0.59 CCNC(=O)C(C)NCC(C)C 2230a_100000736553_100000210760 [0,2,0,0,0,0|2,0,0]=4 5921 B11R0.59 CCNC(=O)C(C)NCC(C)C 270004a_100000736553_100000210432 [0,2,0,0,0,0|2,0,0]=4 5922 B11R0.59 CCNC(=O)C(C)NCC(C)C 34a_100000210953_100000230173 [0,2,0,0,0,0|2,0,0]=4 5923 B11R0.59 CCNC(=O)C(C)NCC(C)C 34a_100000736553_100000210624 [0,2,0,0,0,0|2,0,0]=4 5924 B11R0.59 CCNC(=O)C(C)OCC(C)C 34a_100000210257_100000230173 [0,2,0,0,0,0|2,0,0]=4 5925 B11R0.59 CCNC(=O)C(C)SCC(C)C 62a_100000210624_100000230173 [0,2,0,0,0,0|2,0,0]=4 5926 B11R0.59 CCNC(=O)C(C)SCC(C)C 62a_100000230173_100000210760 [0,2,0,0,0,0|2,0,0]=4 5927 B11R0.59 CCNC(=O)N(C)CCC(C)C 2708a_100015525214_100000742789 [0,2,0,0,0,0|1,0,0]=3 5928 B11R0.59 CCNC(=O)N(C)CCC(C)C 273464a_100015525214_100000742789 [0,2,0,0,0,0|1,0,0]=3 5929 B11R0.59 CCNC(=O)N(C)CCN(C)C 2708a_100015525214_100000225618 [0,2,0,0,0,0|2,0,0]=4 5930 B11R0.59 CCNC(=O)N(C)CCN(C)C 273464a_100015525214_100000225618 [0,2,0,0,0,0|2,0,0]=4 5931 B11R0.59 CCOC(=O)C(=O)CSC(C)C 62a_100000210206_100000211299 [0,2,0,0,0,0|2,0,0]=4 5932 B11R0.59 CCOC(=O)C(=O)CSC(C)C 62a_100000211299_100000210206 [0,2,0,0,0,0|2,0,0]=4 5933 B11R0.59 CCOC(=O)C(=O)NCC(C)C 11a_100000210953_100014798877 [0,2,0,0,0,0|2,0,0]=4 5934 B11R0.59 CCOC(=O)C(=O)NCC(C)C 1626a_100000210953_100014798877 [0,2,0,0,0,0|2,0,0]=4 5935 B11R0.59 CCOC(=O)C(=O)NCC(C)C 240690a_100000210953_100014798877 [0,2,0,0,0,0|2,0,0]=4 5936 B11R0.59 CCOC(=O)C(C)NCC(C)C 2230a_100000210953_100011215307 [0,2,0,0,0,0|2,0,0]=4 5937 B11R0.59 CCOC(=O)C(C)NCC(C)C 34a_100000210953_100011216346 [0,2,0,0,0,0|2,0,0]=4 5938 B11R0.59 CCOC(=O)C(C)OCC(C)C 34a_100000210257_100011216346 [0,2,0,0,0,0|2,0,0]=4 5939 B11R0.59 CCOC(=O)C(C)SCC(C)C 62a_100000210624_100011216346 [0,2,0,0,0,0|2,0,0]=4 5940 B11R0.59 CCOC(=O)C(C)SCC(C)C 62a_100011216346_100000210760 [0,2,0,0,0,0|2,0,0]=4 5941 B11R0.59 CCOC(=O)C(F)NCC(C)C 2230a_100000210953_100000760018 [0,2,0,0,0,0|2,0,0]=4 5942 B11R0.59 CCOC(=O)C(F)NCC(C)C 34a_100000210953_100000760018 [0,2,0,0,0,0|2,0,0]=4 5943 B11R0.59 CCOC(=O)C(F)OCC(C)C 34a_100000210257_100000760018 [0,2,0,0,0,0|2,0,0]=4 5944 B11R0.59 CCOC(=O)C(F)SCC(C)C 62a_100000210624_100000760018 [0,2,0,0,0,0|2,0,0]=4 5945 B11R0.59 CCOC(=O)C(F)SCC(C)C 62a_100000760018_100000210760 [0,2,0,0,0,0|2,0,0]=4 5946 B11R0.59 CCOC(=O)[C@H](C)OCC(C)C 7a_100000751109_100000210760 [0,2,0,0,0,0|2,0,0]=4 5947 B11R0.59 CCSC(=O)[C@H](C)NCC(C)C 2230a_100103168634_100000210760 [0,2,0,0,0,0|2,0,0]=4 5948 B11R0.59 CN(C)CCN(C)C(=O)CCO 240690a_100000225618_100011216618 [0,2,0,0,0,0|2,0,0]=4 5949 B11R0.59 COCC(=O)C(C)CCC(C)C 1458a_100000210968_100011261404 [0,2,0,0,0,0|1,0,0]=3 5950 B11R0.59 COCC(=O)N(C)CCC(C)C 11a_100000742789_100000210968 [0,2,0,0,0,0|1,0,0]=3 5951 B11R0.59 COCC(=O)N(C)CCC(C)C 1626a_100000742789_100000210968 [0,2,0,0,0,0|1,0,0]=3 5952 B11R0.59 COCC(=O)N(C)CCC(C)C 240690a_100000742789_100000210968 [0,2,0,0,0,0|1,0,0]=3 5953 B11R0.59 COCC(=O)N(C)CCC(C)C 527a_100000742789_100000210968 [0,2,0,0,0,0|1,0,0]=3 5954 B11R0.59 COCC(=O)N(C)CCN(C)C 240690a_100000225618_100000210968 [0,2,0,0,0,0|2,0,0]=4 5955 B11R0.59 COCC(=O)N(C)CCN(C)C 527a_100000225618_100000210968 [0,2,0,0,0,0|2,0,0]=4 5956 B11R0.59 CSCC(=O)C(C)CCC(C)C 1458a_100000184570_100011261404 [0,2,0,0,0,0|1,0,0]=3 5957 B11R0.59 CSCC(=O)N(C)CCC(C)C 11a_100000742789_100000184570 [0,2,0,0,0,0|1,0,0]=3 5958 B11R0.59 CSCC(=O)N(C)CCC(C)C 1626a_100000742789_100000184570 [0,2,0,0,0,0|1,0,0]=3 5959 B11R0.59 CSCC(=O)N(C)CCC(C)C 240690a_100000742789_100000184570 [0,2,0,0,0,0|1,0,0]=3 5960 B11R0.59 CSCC(=O)N(C)CCC(C)C 527a_100000742789_100000184570 [0,2,0,0,0,0|1,0,0]=3 5961 B11R0.59 CSCC(=O)N(C)CCN(C)C 240690a_100000225618_100000184570 [0,2,0,0,0,0|2,0,0]=4 5962 B11R0.59 CSCC(=O)N(C)CCN(C)C 527a_100000225618_100000184570 [0,2,0,0,0,0|2,0,0]=4 5963 B11R0.104 CC(C)CCNS(=O)(=O)CCBr 270084a_100000210545_100000731045 [0,2,0,0,0,0|2,0,0]=4 5964 B11R0.104 CC(C)CCNS(=O)(=O)CCBr 274078a_100000210545_100000731045 [0,2,0,0,0,0|2,0,0]=4 5965 B11R0.104 CC(C)CCNS(=O)(=O)CCCl 270084a_100000210545_100000184613 [0,2,0,0,0,0|2,0,0]=4 5966 B11R0.104 CC(C)CCNS(=O)(=O)CCCl 274078a_100000210545_100000184613 [0,2,0,0,0,0|2,0,0]=4 5967 B11R0.104 CC(C)CCOC(C)(C)CCBr 7a_100000702414_100000210626 [0,2,0,0,0,0|1,0,1]=4 5968 B11R0.104 CCCC(C)(C)OCCC(C)C 7a_100000748436_100000210626 [0,2,0,0,0,0|1,0,1]=4 5969 B11R0.104 CCCS(=O)(=O)NCCC(C)C 270084a_100000210545_100000211391 [0,2,0,0,0,0|2,0,0]=4 5970 B11R0.104 CCCS(=O)(=O)NCCC(C)C 274078a_100000210545_100000211391 [0,2,0,0,0,0|2,0,0]=4 5971 B11R0.104 CCCS(=O)(=O)NCCC(C)C 40a_100000210545_100000054278 [0,2,0,0,0,0|2,0,0]=4 5972 B11R0.141 C#CCC(=O)NCC(O)C(C)C 527a_100000759067_100011220946 [0,2,0,0,0,0|1,0,1]=4 5973 B11R0.141 C=CCC(=O)NCC(O)C(C)C 11a_100000759067_100000210193 [0,2,0,0,0,0|1,0,1]=4 5974 B11R0.141 C=CCC(=O)NCC(O)C(C)C 240690a_100000759067_100000210193 [0,2,0,0,0,0|1,0,1]=4 5975 B11R0.141 C=CCC(=O)NCC(O)C(C)C 527a_100000759067_100000210193 [0,2,0,0,0,0|1,0,1]=4 5976 B11R0.141 CC(C)C(O)CNC(=O)CC#N 240690a_100000759067_100051588842 [0,2,0,0,0,0|1,0,1]=4 5977 B11R0.141 CC(C)C(O)CNC(=O)CCO 240690a_100000759067_100011216618 [0,2,0,0,0,0|1,0,0]=3 5978 B11R0.141 CC(C)N(C)CCC(=O)CCF 1458a_100015184040_100011217306 [0,2,0,0,0,0|2,0,0]=4 5979 B11R0.141 CC(C)N(C)CCC(=O)CCO 1458a_100015184040_100000211926 [0,2,0,0,0,0|2,0,0]=4 5980 B11R0.141 CC(CCO)OC[C@H](N)C(C)C 34a_100011830312_100009893172 [0,2,0,0,0,0|1,0,1]=4 5981 B11R0.141 CC=CC(=O)NCC(O)C(C)C 11a_100000759067_100000210699 [0,2,0,0,0,0|1,0,1]=4 5982 B11R0.141 CC=CC(=O)NCC(O)C(C)C 240690a_100000759067_100000210699 [0,2,0,0,0,0|1,0,1]=4 5983 B11R0.141 CCCC(=O)CCN(C)C(C)C 1458a_100015184040_100000210303 [0,2,0,0,0,0|2,0,0]=4 5984 B11R0.141 CCCC(=O)CNC(C)C(C)C 2230a_100000211541_100000747444 [0,2,0,0,0,0|2,0,0]=4 5985 B11R0.141 CCCC(=O)COC(C)C(C)C 7a_100000748068_100000747444 [0,2,0,0,0,0|2,0,0]=4 5986 B11R0.141 CCCC(=O)NCC(O)C(C)C 11a_100000759067_100000211992 [0,2,0,0,0,0|1,0,0]=3 5987 B11R0.141 CCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000211992 [0,2,0,0,0,0|1,0,0]=3 5988 B11R0.141 CCCC(=O)NCC(O)C(C)C 527a_100000759067_100000211992 [0,2,0,0,0,0|1,0,0]=3 5989 B11R0.141 CCCC(=O)OCC(=O)C(C)C 1458a_100000210198_100000034017 [0,2,0,0,0,0|0,0,1]=3 5990 B11R0.141 CCCC(=O)OCC(=O)C(C)F 1458a_100000062450_100000034017 [0,2,0,0,0,0|1,0,1]=4 5991 B11R0.141 CCCC(=O)OCC(=O)[C@@H](C)O 1458a_100000717761_100000034017 [0,2,0,0,0,0|1,0,1]=4 5992 B11R0.141 CCCC(=O)OCC(=O)[C@H](C)O 1458a_217856618621_100000034017 [0,2,0,0,0,0|1,0,1]=4 5993 B11R0.141 CCCC(=O)OCN(C)C(C)C 269982a_200000211004_100000034017 [0,2,0,0,0,0|1,0,0]=3 5994 B11R0.141 CCCC(C)OC[C@H](N)C(C)C 34a_100011830312_100000766640 [0,2,0,0,0,0|1,0,1]=4 5995 B11R0.141 CCNC(=O)CCC(=O)C(C)C 1458a_100000199579_100000210206 [0,2,0,0,0,0|1,0,1]=4 5996 B11R0.141 CCNC(=O)CCN(C)C(C)C 240690a_100015525214_100015184040 [0,2,0,0,0,0|2,0,0]=4 5997 B11R0.141 CCNC(=O)CCN(C)C(C)C 269982a_200000211004_100000737597 [0,2,0,0,0,0|2,0,0]=4 5998 B11R0.141 CCNC(=O)CNC(C)C(C)C 2230a_100000211541_100000183381 [0,2,0,0,0,0|2,0,0]=4 5999 B11R0.141 CCNC(=O)COC(C)C(C)C 7a_100000748068_100000183381 [0,2,0,0,0,0|2,0,0]=4 6000 B11R0.141 CCNC(=O)NCC(O)C(C)C 2708a_100015525214_100000759067 [0,2,0,0,0,0|1,0,0]=3 6001 B11R0.141 CCNC(=O)NCC(O)C(C)C 273464a_100000759067_100015525214 [0,2,0,0,0,0|1,0,0]=3 6002 B11R0.141 CCNC(=O)NCC(O)C(C)C 273464a_100015525214_100000759067 [0,2,0,0,0,0|1,0,0]=3 6003 B11R0.141 CCNC(=O)NCC(O)C(C)C 512a_100000759067_100015525214 [0,2,0,0,0,0|1,0,0]=3 6004 B11R0.141 CCNC(=O)NCC(O)C(C)C 512a_100015525214_100000759067 [0,2,0,0,0,0|1,0,0]=3 6005 B11R0.141 CCOC(=O)CCC(=O)C(C)C 1458a_100000183558_100000210206 [0,2,0,0,0,0|1,0,1]=4 6006 B11R0.141 CCOC(=O)CCC(C)N(C)C 2230a_100102631434_100000748298 [0,2,0,0,0,0|2,0,0]=4 6007 B11R0.141 CCOC(=O)CCC(C)N(C)C 269982a_100102631434_100000748298 [0,2,0,0,0,0|2,0,0]=4 6008 B11R0.141 CCOC(=O)CCN(C)C(C)C 2230a_100000745921_100000210206 [0,2,0,0,0,0|2,0,0]=4 6009 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_100000745921_100000210206 [0,2,0,0,0,0|2,0,0]=4 6010 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_100011277713_200000210301 [0,2,0,0,0,0|2,0,0]=4 6011 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_200000211004_100011206558 [0,2,0,0,0,0|2,0,0]=4 6012 B11R0.141 CCOC(=O)CCN([13CH3])C(C)C 269982a_100011277713_200025704644 [0,2,0,0,0,0|2,0,0]=4 6013 B11R0.141 CCOC(=O)CNC(C)C(C)C 2230a_100000211541_100000188475 [0,2,0,0,0,0|2,0,0]=4 6014 B11R0.141 CCOC(=O)COC(C)C(C)C 7a_100000748068_100000188475 [0,2,0,0,0,0|2,0,0]=4 6015 B11R0.141 CCOC(=O)NCC(=O)C(C)C 1458a_100000190774_100000210206 [0,2,0,0,0,0|1,0,1]=4 6016 B11R0.141 CNNC(=O)NCC(O)C(C)C 273464a_100000759067_100016993582 [0,2,0,0,0,0|2,0,0]=4 6017 B11R0.141 CNNC(=O)NCC(O)C(C)C 512a_100000759067_100016993582 [0,2,0,0,0,0|2,0,0]=4 6018 B11R0.141 CNNC(=O)NCC(O)C(C)C 512a_100016993582_100000759067 [0,2,0,0,0,0|2,0,0]=4 6019 B11R0.141 COCC(=O)NCC(O)C(C)C 11a_100000759067_100000210968 [0,2,0,0,0,0|1,0,0]=3 6020 B11R0.141 COCC(=O)NCC(O)C(C)C 240690a_100000759067_100000210968 [0,2,0,0,0,0|1,0,0]=3 6021 B11R0.141 COCC(=O)NCC(O)C(C)C 527a_100000759067_100000210968 [0,2,0,0,0,0|1,0,0]=3 6022 B11R0.141 COCC(C)OC[C@H](N)C(C)C 34a_100011830312_100000765312 [0,2,0,0,0,0|1,0,1]=4 6023 B11R0.141 CSCC(=O)NCC(O)C(C)C 11a_100000759067_100000184570 [0,2,0,0,0,0|1,0,0]=3 6024 B11R0.141 CSCC(=O)NCC(O)C(C)C 240690a_100000759067_100000184570 [0,2,0,0,0,0|1,0,0]=3 6025 B11R0.141 CSCC(=O)NCC(O)C(C)C 527a_100000759067_100000184570 [0,2,0,0,0,0|1,0,0]=3 6026 B11R0.147 C#CCCC(=O)CCCC(C)C 1458a_100000692101_100011214892 [0,2,0,0,0,0|1,0,0]=3 6027 B11R0.147 C#CCCC(=O)CCCC(C)C 1458a_100011216857_100000753159 [0,2,0,0,0,0|1,0,0]=3 6028 B11R0.147 C#CCCC(=O)CCCC(C)O 1458a_100000692101_200000718107 [0,2,0,0,0,0|2,0,0]=4 6029 B11R0.147 C#CCCC(=O)CCCN(C)C 1458a_100000692101_100000695564 [0,2,0,0,0,0|2,0,0]=4 6030 B11R0.147 C#CCCC(=O)CCOC(C)C 1458a_100000692101_100000211751 [0,2,0,0,0,0|2,0,0]=4 6031 B11R0.147 C#CCCC(=O)CCOC(C)C 34a_100011064465_100000210206 [0,2,0,0,0,0|2,0,0]=4 6032 B11R0.147 C#CCCC(=O)CCOC(C)C 7a_100011064465_100000210206 [0,2,0,0,0,0|2,0,0]=4 6033 B11R0.147 C#CCCC(=O)CCSC(C)C 1458a_100000692101_100000730970 [0,2,0,0,0,0|2,0,0]=4 6034 B11R0.147 C#CCCC(=O)COCC(C)C 1458a_100011223364_100000753159 [0,2,0,0,0,0|2,0,0]=4 6035 B11R0.147 C#CCCC(=O)NCCC(C)C 11a_100000210545_100000692101 [0,2,0,0,0,0|1,0,0]=3 6036 B11R0.147 C#CCCC(=O)NCCC(C)C 1626a_100000210545_100000692101 [0,2,0,0,0,0|1,0,0]=3 6037 B11R0.147 C#CCCC(=O)NCCC(C)C 240690a_100000210545_100000692101 [0,2,0,0,0,0|1,0,0]=3 6038 B11R0.147 C#CCCC(=O)NCCC(C)C 527a_100000210545_100000692101 [0,2,0,0,0,0|1,0,0]=3 6039 B11R0.147 C#CCCC(=O)NCCC(C)O 240690a_200000755665_100000692101 [0,2,0,0,0,0|2,0,0]=4 6040 B11R0.147 C#CCCC(=O)NCCC(C)O 527a_200000755665_100000692101 [0,2,0,0,0,0|2,0,0]=4 6041 B11R0.147 C#CCCC(=O)NCCN(C)C 240690a_100000210585_100000692101 [0,2,0,0,0,0|2,0,0]=4 6042 B11R0.147 C#CCCC(=O)NCCN(C)C 527a_100000210585_100000692101 [0,2,0,0,0,0|2,0,0]=4 6043 B11R0.147 C#CCCC(=O)NNCC(C)C 22a_100000696102_100000692101 [0,2,0,0,0,0|2,0,0]=4 6044 B11R0.147 C#CCNC(=O)CCCC(C)C 11a_100000212058_100011216857 [0,2,0,0,0,0|1,0,1]=4 6045 B11R0.147 C#CCNC(=O)CCCC(C)C 1626a_100000212058_100011216857 [0,2,0,0,0,0|1,0,1]=4 6046 B11R0.147 C#CCNC(=O)CCCC(C)C 240690a_100000212058_100011216857 [0,2,0,0,0,0|1,0,1]=4 6047 B11R0.147 C#CCNC(=O)CCCC(C)C 527a_100000212058_100011216857 [0,2,0,0,0,0|1,0,1]=4 6048 B11R0.147 C#CCNC(=O)NCCC(C)C 2708a_100000210545_100000212058 [0,2,0,0,0,0|1,0,1]=4 6049 B11R0.147 C#CCNC(=O)NCCC(C)C 2708a_100000212058_100000210545 [0,2,0,0,0,0|1,0,1]=4 6050 B11R0.147 C#CCNC(=O)NCCC(C)C 273464a_100000210545_100000212058 [0,2,0,0,0,0|1,0,1]=4 6051 B11R0.147 C#CCNC(=O)NCCC(C)C 273464a_100000212058_100000210545 [0,2,0,0,0,0|1,0,1]=4 6052 B11R0.147 C#CCNC(=O)NCCC(C)C 512a_100000210545_100000212058 [0,2,0,0,0,0|1,0,1]=4 6053 B11R0.147 C#CCNC(=O)NCCC(C)C 512a_100000212058_100000210545 [0,2,0,0,0,0|1,0,1]=4 6054 B11R0.147 C/C=C/CC(=O)CCCC(C)C 1458a_100011216857_100102629194 [0,2,0,0,0,0|1,0,0]=3 6055 B11R0.147 C/C=C/CC(=O)COCC(C)C 1458a_100011223364_100102629194 [0,2,0,0,0,0|2,0,0]=4 6056 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100000749702_100011214892 [0,2,0,0,0,0|1,0,0]=3 6057 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100011216857_100000754431 [0,2,0,0,0,0|1,0,0]=3 6058 B11R0.147 C=CCCC(=O)CCCC(C)O 1458a_100000749702_200000718107 [0,2,0,0,0,0|2,0,0]=4 6059 B11R0.147 C=CCCC(=O)CCCN(C)C 1458a_100000749702_100000695564 [0,2,0,0,0,0|2,0,0]=4 6060 B11R0.147 C=CCCC(=O)CCOC(C)C 1458a_100000749702_100000211751 [0,2,0,0,0,0|2,0,0]=4 6061 B11R0.147 C=CCCC(=O)CCSC(C)C 1458a_100000749702_100000730970 [0,2,0,0,0,0|2,0,0]=4 6062 B11R0.147 C=CCCC(=O)COCC(C)C 1458a_100011223364_100000754431 [0,2,0,0,0,0|2,0,0]=4 6063 B11R0.147 C=CCCC(=O)NCCC(C)C 11a_100000210545_100000749702 [0,2,0,0,0,0|1,0,0]=3 6064 B11R0.147 C=CCCC(=O)NCCC(C)C 1626a_100000210545_100000749702 [0,2,0,0,0,0|1,0,0]=3 6065 B11R0.147 C=CCCC(=O)NCCC(C)C 240690a_100000210545_100000749702 [0,2,0,0,0,0|1,0,0]=3 6066 B11R0.147 C=CCCC(=O)NCCC(C)C 527a_100000210545_100000749702 [0,2,0,0,0,0|1,0,0]=3 6067 B11R0.147 C=CCCC(=O)NCCC(C)O 240690a_200000755665_100000749702 [0,2,0,0,0,0|2,0,0]=4 6068 B11R0.147 C=CCCC(=O)NCCC(C)O 527a_200000755665_100000749702 [0,2,0,0,0,0|2,0,0]=4 6069 B11R0.147 C=CCCC(=O)NCCN(C)C 240690a_100000210585_100000749702 [0,2,0,0,0,0|2,0,0]=4 6070 B11R0.147 C=CCCC(=O)NCCN(C)C 527a_100000210585_100000749702 [0,2,0,0,0,0|2,0,0]=4 6071 B11R0.147 C=CCCC(=O)NNCC(C)C 22a_100000696102_100000749702 [0,2,0,0,0,0|2,0,0]=4 6072 B11R0.147 C=CCCC(C)OCCC(C)C 34a_100000765329_100000210312 [0,2,0,0,0,0|1,0,1]=4 6073 B11R0.147 C=CCCC(C)OCCC(C)C 7a_100000765329_100000210626 [0,2,0,0,0,0|1,0,1]=4 6074 B11R0.147 C=CCNC(=O)CCCC(C)C 1626a_100020586998_100011216857 [0,2,0,0,0,0|1,0,1]=4 6075 B11R0.147 C=CCNC(=O)CCCC(C)C 240690a_100020586998_100011216857 [0,2,0,0,0,0|1,0,1]=4 6076 B11R0.147 C=CCNC(=O)CCCC(C)C 527a_100020586998_100011216857 [0,2,0,0,0,0|1,0,1]=4 6077 B11R0.147 C=CCNC(=O)NCCC(C)C 2708a_100000210545_100020586998 [0,2,0,0,0,0|1,0,1]=4 6078 B11R0.147 C=CCNC(=O)NCCC(C)C 273464a_100000210545_100020586998 [0,2,0,0,0,0|1,0,1]=4 6079 B11R0.147 C=CCNC(=O)NCCC(C)C 273464a_100020586998_100000210545 [0,2,0,0,0,0|1,0,1]=4 6080 B11R0.147 C=CCNC(=O)NCCC(C)C 512a_100000210545_100020586998 [0,2,0,0,0,0|1,0,1]=4 6081 B11R0.147 C=CCNC(=O)NCCC(C)C 512a_100020586998_100000210545 [0,2,0,0,0,0|1,0,1]=4 6082 B11R0.147 CC#CCC(=O)CCCC(C)C 1458a_100011216857_100000748600 [0,2,0,0,0,0|1,0,0]=3 6083 B11R0.147 CC#CCC(=O)COCC(C)C 1458a_100011223364_100000748600 [0,2,0,0,0,0|2,0,0]=4 6084 B11R0.147 CC(C)CCCC(=O)C#CCO 1458a_100000049017_100011214892 [0,2,0,0,0,0|1,0,1]=4 6085 B11R0.147 CC(C)CCCC(=O)CCC#N 1458a_100011216857_100011215226 [0,2,0,0,0,0|1,0,0]=3 6086 B11R0.147 CC(C)CCCC(=O)CCC#N 1458a_100011934036_100011214892 [0,2,0,0,0,0|1,0,0]=3 6087 B11R0.147 CC(C)CCCC(=O)CCCF 1458a_100011216857_100011934791 [0,2,0,0,0,0|1,0,0]=3 6088 B11R0.147 CC(C)CCCC(=O)CCCO 1458a_100011216857_100011215043 [0,2,0,0,0,0|1,0,0]=3 6089 B11R0.147 CC(C)CCCC(=O)NCC#N 1626a_100000734998_100011216857 [0,2,0,0,0,0|1,0,1]=4 6090 B11R0.147 CC(C)CCCC(=O)NCC#N 527a_100000734998_100011216857 [0,2,0,0,0,0|1,0,1]=4 6091 B11R0.147 CC(C)CCCC(=O)NCCF 11a_100000724931_100011216857 [0,2,0,0,0,0|1,0,0]=3 6092 B11R0.147 CC(C)CCCC(=O)NCCF 1626a_100000724931_100011216857 [0,2,0,0,0,0|1,0,0]=3 6093 B11R0.147 CC(C)CCCC(=O)NCCF 240690a_100000724931_100011216857 [0,2,0,0,0,0|1,0,0]=3 6094 B11R0.147 CC(C)CCCC(=O)NCCF 527a_100000724931_100011216857 [0,2,0,0,0,0|1,0,0]=3 6095 B11R0.147 CC(C)CCCC(=O)NCCO 240690a_100000210304_100011216857 [0,2,0,0,0,0|1,0,0]=3 6096 B11R0.147 CC(C)CCCC(=O)NCCO 527a_100000210304_100011216857 [0,2,0,0,0,0|1,0,0]=3 6097 B11R0.147 CC(C)CCNC(=O)CCC#N 11a_100000210545_100011934036 [0,2,0,0,0,0|1,0,0]=3 6098 B11R0.147 CC(C)CCNC(=O)CCC#N 1626a_100000210545_100011934036 [0,2,0,0,0,0|1,0,0]=3 6099 B11R0.147 CC(C)CCNC(=O)CCC#N 240690a_100000210545_100011934036 [0,2,0,0,0,0|1,0,0]=3 6100 B11R0.147 CC(C)CCNC(=O)CCC#N 527a_100000210545_100011934036 [0,2,0,0,0,0|1,0,0]=3 6101 B11R0.147 CC(C)CCNC(=O)CN=[N+]=[N-] 11a_100000210545_100000751907 [0,2,0,0,0,0|2,0,0]=4 6102 B11R0.147 CC(C)CCNC(=O)CN=[N+]=[N-] 240690a_100000210545_100000751907 [0,2,0,0,0,0|2,0,0]=4 6103 B11R0.147 CC(C)CCNC(=O)NCC#N 2708a_100000734998_100000210545 [0,2,0,0,0,0|1,0,1]=4 6104 B11R0.147 CC(C)CCNC(=O)NCC#N 273464a_100000210545_100000734998 [0,2,0,0,0,0|1,0,1]=4 6105 B11R0.147 CC(C)CCNC(=O)NCC#N 273464a_100000734998_100000210545 [0,2,0,0,0,0|1,0,1]=4 6106 B11R0.147 CC(C)CCNC(=O)NCC#N 512a_100000210545_100000734998 [0,2,0,0,0,0|1,0,1]=4 6107 B11R0.147 CC(C)CCNC(=O)NCC#N 512a_100000734998_100000210545 [0,2,0,0,0,0|1,0,1]=4 6108 B11R0.147 CC(C)CCNC(=O)NCCF 2708a_100000210545_100000724931 [0,2,0,0,0,0|1,0,0]=3 6109 B11R0.147 CC(C)CCNC(=O)NCCF 273464a_100000210545_100000724931 [0,2,0,0,0,0|1,0,0]=3 6110 B11R0.147 CC(C)CCNC(=O)NCCF 273464a_100000724931_100000210545 [0,2,0,0,0,0|1,0,0]=3 6111 B11R0.147 CC(C)CCNC(=O)NCCF 512a_100000210545_100000724931 [0,2,0,0,0,0|1,0,0]=3 6112 B11R0.147 CC(C)CCNC(=O)NCCO 2708a_100000210545_100000210304 [0,2,0,0,0,0|1,0,0]=3 6113 B11R0.147 CC(C)CCNC(=O)NCCO 273464a_100000210304_100000210545 [0,2,0,0,0,0|1,0,0]=3 6114 B11R0.147 CC(C)CCNC(=O)NCCO 273464a_100000210545_100000210304 [0,2,0,0,0,0|1,0,0]=3 6115 B11R0.147 CC(C)CCNC(=O)NCCO 512a_100000210545_100000210304 [0,2,0,0,0,0|1,0,0]=3 6116 B11R0.147 CC(C)CCOC(C)CCCCl 34a_200000718107_100000210312 [0,2,0,0,0,0|1,0,1]=4 6117 B11R0.147 CC(C)CCOC(C)CCCCl 7a_200000718107_100000210626 [0,2,0,0,0,0|1,0,1]=4 6118 B11R0.147 CC(C)CNCC(=O)NCCF 2230a_100000725713_100000210760 [0,2,0,0,0,0|2,0,0]=4 6119 B11R0.147 CC(C)CNCC(=O)NCCF 270004a_100000725713_100000210432 [0,2,0,0,0,0|2,0,0]=4 6120 B11R0.147 CC(C)CNNC(=O)CCC#N 22a_100000696102_100011934036 [0,2,0,0,0,0|2,0,0]=4 6121 B11R0.147 CC(C)CNNC(=O)NCCF 273464a_100000724931_100000696102 [0,2,0,0,0,0|2,0,0]=4 6122 B11R0.147 CC(C)CNNC(=O)NCCF 512a_100000696102_100000724931 [0,2,0,0,0,0|2,0,0]=4 6123 B11R0.147 CC(C)CNNC(=O)NCCO 273464a_100000210304_100000696102 [0,2,0,0,0,0|2,0,0]=4 6124 B11R0.147 CC(C)CNNC(=O)NCCO 512a_100000696102_100000210304 [0,2,0,0,0,0|2,0,0]=4 6125 B11R0.147 CC(C)COCC(=O)CCC#N 1458a_100011223364_100011215226 [0,2,0,0,0,0|2,0,0]=4 6126 B11R0.147 CC(C)COCC(=O)CCCF 1458a_100011223364_100011934791 [0,2,0,0,0,0|2,0,0]=4 6127 B11R0.147 CC(C)COCC(=O)CCCO 1458a_100011223364_100011215043 [0,2,0,0,0,0|2,0,0]=4 6128 B11R0.147 CC(C)COCC(=O)NCCF 11a_100000724931_100011223364 [0,2,0,0,0,0|2,0,0]=4 6129 B11R0.147 CC(C)COCC(=O)NCCF 1626a_100000724931_100011223364 [0,2,0,0,0,0|2,0,0]=4 6130 B11R0.147 CC(C)COCC(=O)NCCF 240690a_100000724931_100011223364 [0,2,0,0,0,0|2,0,0]=4 6131 B11R0.147 CC(C)COCC(=O)NCCF 527a_100000724931_100011223364 [0,2,0,0,0,0|2,0,0]=4 6132 B11R0.147 CC(C)COCC(=O)NCCO 240690a_100000210304_100011223364 [0,2,0,0,0,0|2,0,0]=4 6133 B11R0.147 CC(C)COCC(=O)NCCO 527a_100000210304_100011223364 [0,2,0,0,0,0|2,0,0]=4 6134 B11R0.147 CC(C)OCCC(=O)CCC#N 1458a_100011934036_100000211751 [0,2,0,0,0,0|2,0,0]=4 6135 B11R0.147 CC(C)SCCC(=O)CCC#N 1458a_100011934036_100000730970 [0,2,0,0,0,0|2,0,0]=4 6136 B11R0.147 CC(O)CCCC(=O)CCC#N 1458a_100011934036_200000718107 [0,2,0,0,0,0|2,0,0]=4 6137 B11R0.147 CC(O)CCCC(=O)NCCF 1626a_100000724931_100000761597 [0,2,0,0,0,0|2,0,0]=4 6138 B11R0.147 CC(O)CCCC(=O)NCCF 527a_100000724931_100000761597 [0,2,0,0,0,0|2,0,0]=4 6139 B11R0.147 CC(O)CCCC(=O)NCCO 527a_100000210304_100000761597 [0,2,0,0,0,0|2,0,0]=4 6140 B11R0.147 CC(O)CCNC(=O)CCC#N 240690a_200000755665_100011934036 [0,2,0,0,0,0|2,0,0]=4 6141 B11R0.147 CC(O)CCNC(=O)CCC#N 527a_200000755665_100011934036 [0,2,0,0,0,0|2,0,0]=4 6142 B11R0.147 CC(O)CCNC(=O)NCCF 273464a_200000755665_100000724931 [0,2,0,0,0,0|2,0,0]=4 6143 B11R0.147 CC(O)CCNC(=O)NCCF 512a_200000755665_100000724931 [0,2,0,0,0,0|2,0,0]=4 6144 B11R0.147 CC(O)CCNC(=O)NCCO 273464a_200000755665_100000210304 [0,2,0,0,0,0|2,0,0]=4 6145 B11R0.147 CC(O)CCNC(=O)NCCO 512a_200000755665_100000210304 [0,2,0,0,0,0|2,0,0]=4 6146 B11R0.147 CC=CCC(=O)CCCC(C)C 1458a_100011216857_100000070051 [0,2,0,0,0,0|1,0,0]=3 6147 B11R0.147 CC=CCC(=O)CCCC(C)C 1458a_100121576822_100011214892 [0,2,0,0,0,0|1,0,0]=3 6148 B11R0.147 CC=CCC(=O)CCCC(C)O 1458a_100121576822_200000718107 [0,2,0,0,0,0|2,0,0]=4 6149 B11R0.147 CC=CCC(=O)CCCN(C)C 1458a_100121576822_100000695564 [0,2,0,0,0,0|2,0,0]=4 6150 B11R0.147 CC=CCC(=O)CCOC(C)C 1458a_100121576822_100000211751 [0,2,0,0,0,0|2,0,0]=4 6151 B11R0.147 CC=CCC(=O)CCSC(C)C 1458a_100121576822_100000730970 [0,2,0,0,0,0|2,0,0]=4 6152 B11R0.147 CC=CCC(=O)COCC(C)C 1458a_100011223364_100000070051 [0,2,0,0,0,0|2,0,0]=4 6153 B11R0.147 CC=CCC(=O)NCCC(C)C 11a_100000210545_100121576822 [0,2,0,0,0,0|1,0,0]=3 6154 B11R0.147 CC=CCC(=O)NCCC(C)C 1626a_100000210545_100121576822 [0,2,0,0,0,0|1,0,0]=3 6155 B11R0.147 CC=CCC(=O)NCCC(C)C 240690a_100000210545_100121576822 [0,2,0,0,0,0|1,0,0]=3 6156 B11R0.147 CC=CCC(=O)NCCC(C)C 527a_100000210545_100121576822 [0,2,0,0,0,0|1,0,0]=3 6157 B11R0.147 CC=CCC(=O)NCCC(C)O 240690a_200000755665_100121576822 [0,2,0,0,0,0|2,0,0]=4 6158 B11R0.147 CC=CCC(=O)NCCC(C)O 527a_200000755665_100121576822 [0,2,0,0,0,0|2,0,0]=4 6159 B11R0.147 CC=CCC(=O)NCCN(C)C 240690a_100000210585_100121576822 [0,2,0,0,0,0|2,0,0]=4 6160 B11R0.147 CC=CCC(=O)NCCN(C)C 527a_100000210585_100121576822 [0,2,0,0,0,0|2,0,0]=4 6161 B11R0.147 CC=CCC(=O)NNCC(C)C 22a_100000696102_100121576822 [0,2,0,0,0,0|2,0,0]=4 6162 B11R0.147 CCC#CC(=O)CCCC(C)C 1458a_100011827653_100011214892 [0,2,0,0,0,0|1,0,0]=3 6163 B11R0.147 CCC#CC(=O)CCCC(C)O 1458a_100011827653_200000718107 [0,2,0,0,0,0|2,0,0]=4 6164 B11R0.147 CCC#CC(=O)CCCN(C)C 1458a_100011827653_100000695564 [0,2,0,0,0,0|2,0,0]=4 6165 B11R0.147 CCC#CC(=O)CCOC(C)C 1458a_100011827653_100000211751 [0,2,0,0,0,0|2,0,0]=4 6166 B11R0.147 CCC#CC(=O)CCSC(C)C 1458a_100011827653_100000730970 [0,2,0,0,0,0|2,0,0]=4 6167 B11R0.147 CCC#CC(=O)NNCC(C)C 22a_100000696102_100011827653 [0,2,0,0,0,0|2,0,0]=4 6168 B11R0.147 CCC#CC(C)OCCC(C)C 34a_100000033903_100000210312 [0,2,0,0,0,0|1,0,1]=4 6169 B11R0.147 CCC#CC(C)OCCC(C)C 7a_100000033903_100000210626 [0,2,0,0,0,0|1,0,1]=4 6170 B11R0.147 CCC=CC(=O)CCCC(C)C 1458a_100000212282_100011214892 [0,2,0,0,0,0|1,0,0]=3 6171 B11R0.147 CCC=CC(=O)CCCC(C)O 1458a_100000212282_200000718107 [0,2,0,0,0,0|2,0,0]=4 6172 B11R0.147 CCC=CC(=O)CCCN(C)C 1458a_100000212282_100000695564 [0,2,0,0,0,0|2,0,0]=4 6173 B11R0.147 CCC=CC(=O)CCOC(C)C 1458a_100000212282_100000211751 [0,2,0,0,0,0|2,0,0]=4 6174 B11R0.147 CCC=CC(=O)CCSC(C)C 1458a_100000212282_100000730970 [0,2,0,0,0,0|2,0,0]=4 6175 B11R0.147 CCC=CC(=O)NCCC(C)C 11a_100000210545_100000212282 [0,2,0,0,0,0|1,0,0]=3 6176 B11R0.147 CCC=CC(=O)NCCC(C)C 1626a_100000210545_100000212282 [0,2,0,0,0,0|1,0,0]=3 6177 B11R0.147 CCC=CC(=O)NCCC(C)C 240690a_100000210545_100000212282 [0,2,0,0,0,0|1,0,0]=3 6178 B11R0.147 CCC=CC(=O)NCCC(C)O 240690a_200000755665_100000212282 [0,2,0,0,0,0|2,0,0]=4 6179 B11R0.147 CCC=CC(=O)NCCN(C)C 240690a_100000210585_100000212282 [0,2,0,0,0,0|2,0,0]=4 6180 B11R0.147 CCC=CC(=O)NNCC(C)C 22a_100000696102_100000212282 [0,2,0,0,0,0|2,0,0]=4 6181 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100000210183_100011214892 [0,2,0,0,0,0|1,0,0]=3 6182 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100011216857_100000210211 [0,2,0,0,0,0|1,0,0]=3 6183 B11R0.147 CCCCC(=O)CCCC(C)O 1458a_100000210183_200000718107 [0,2,0,0,0,0|2,0,0]=4 6184 B11R0.147 CCCCC(=O)CCCN(C)C 1458a_100000210183_100000695564 [0,2,0,0,0,0|2,0,0]=4 6185 B11R0.147 CCCCC(=O)CCOC(C)C 1458a_100000210183_100000211751 [0,2,0,0,0,0|2,0,0]=4 6186 B11R0.147 CCCCC(=O)CCSC(C)C 1458a_100000210183_100000730970 [0,2,0,0,0,0|2,0,0]=4 6187 B11R0.147 CCCCC(=O)COCC(C)C 1458a_100011223364_100000210211 [0,2,0,0,0,0|2,0,0]=4 6188 B11R0.147 CCCCC(=O)NCCC(C)C 11a_100000210545_100000210183 [0,2,0,0,0,0|1,0,0]=3 6189 B11R0.147 CCCCC(=O)NCCC(C)C 1626a_100000210545_100000210183 [0,2,0,0,0,0|1,0,0]=3 6190 B11R0.147 CCCCC(=O)NCCC(C)C 240690a_100000210545_100000210183 [0,2,0,0,0,0|1,0,0]=3 6191 B11R0.147 CCCCC(=O)NCCC(C)C 527a_100000210545_100000210183 [0,2,0,0,0,0|1,0,0]=3 6192 B11R0.147 CCCCC(=O)NCCC(C)O 240690a_200000755665_100000210183 [0,2,0,0,0,0|2,0,0]=4 6193 B11R0.147 CCCCC(=O)NCCC(C)O 527a_200000755665_100000210183 [0,2,0,0,0,0|2,0,0]=4 6194 B11R0.147 CCCCC(=O)NCCN(C)C 240690a_100000210585_100000210183 [0,2,0,0,0,0|2,0,0]=4 6195 B11R0.147 CCCCC(=O)NCCN(C)C 527a_100000210585_100000210183 [0,2,0,0,0,0|2,0,0]=4 6196 B11R0.147 CCCCC(=O)NNCC(C)C 22a_100000696102_100000210183 [0,2,0,0,0,0|2,0,0]=4 6197 B11R0.147 CCCCC(C)OCCC(C)C 34a_100000210254_200011215066 [0,2,0,0,0,0|1,0,1]=4 6198 B11R0.147 CCCCC(C)OCCC(C)C 34a_100000687866_100000210312 [0,2,0,0,0,0|1,0,1]=4 6199 B11R0.147 CCCCC(C)OCCC(C)C 7a_100000210254_200011215066 [0,2,0,0,0,0|1,0,1]=4 6200 B11R0.147 CCCCC(C)OCCC(C)C 7a_100000687866_100000210626 [0,2,0,0,0,0|1,0,1]=4 6201 B11R0.147 CCCNC(=O)CCCC(C)C 11a_100020643023_100011216857 [0,2,0,0,0,0|1,0,0]=3 6202 B11R0.147 CCCNC(=O)CCCC(C)C 1626a_100020643023_100011216857 [0,2,0,0,0,0|1,0,0]=3 6203 B11R0.147 CCCNC(=O)CCCC(C)C 240690a_100020643023_100011216857 [0,2,0,0,0,0|1,0,0]=3 6204 B11R0.147 CCCNC(=O)CCCC(C)C 527a_100020643023_100011216857 [0,2,0,0,0,0|1,0,0]=3 6205 B11R0.147 CCCNC(=O)CCCC(C)O 1626a_100020643023_100000761597 [0,2,0,0,0,0|2,0,0]=4 6206 B11R0.147 CCCNC(=O)CCCC(C)O 527a_100020643023_100000761597 [0,2,0,0,0,0|2,0,0]=4 6207 B11R0.147 CCCNC(=O)CCCN(C)C 11a_100020643023_100000740757 [0,2,0,0,0,0|2,0,0]=4 6208 B11R0.147 CCCNC(=O)CCCN(C)C 2230a_100102631434_100011194427 [0,2,0,0,0,0|2,0,0]=4 6209 B11R0.147 CCCNC(=O)CCCN(C)C 240690a_100020643023_100000740757 [0,2,0,0,0,0|2,0,0]=4 6210 B11R0.147 CCCNC(=O)CCCN(C)C 269982a_100102631434_100011194427 [0,2,0,0,0,0|2,0,0]=4 6211 B11R0.147 CCCNC(=O)CNCC(C)C 2230a_100000174927_100000210760 [0,2,0,0,0,0|2,0,0]=4 6212 B11R0.147 CCCNC(=O)CNCC(C)C 2230a_100000210953_100000183358 [0,2,0,0,0,0|2,0,0]=4 6213 B11R0.147 CCCNC(=O)CNCC(C)C 270004a_100000174927_100000210432 [0,2,0,0,0,0|2,0,0]=4 6214 B11R0.147 CCCNC(=O)CNCC(C)C 34a_100000210953_100000183358 [0,2,0,0,0,0|2,0,0]=4 6215 B11R0.147 CCCNC(=O)COCC(C)C 11a_100020643023_100011223364 [0,2,0,0,0,0|2,0,0]=4 6216 B11R0.147 CCCNC(=O)COCC(C)C 1626a_100020643023_100011223364 [0,2,0,0,0,0|2,0,0]=4 6217 B11R0.147 CCCNC(=O)COCC(C)C 240690a_100020643023_100011223364 [0,2,0,0,0,0|2,0,0]=4 6218 B11R0.147 CCCNC(=O)COCC(C)C 34a_100000210257_100000183358 [0,2,0,0,0,0|2,0,0]=4 6219 B11R0.147 CCCNC(=O)COCC(C)C 527a_100020643023_100011223364 [0,2,0,0,0,0|2,0,0]=4 6220 B11R0.147 CCCNC(=O)CSCC(C)C 62a_100000183358_100000210760 [0,2,0,0,0,0|2,0,0]=4 6221 B11R0.147 CCCNC(=O)CSCC(C)C 62a_100000210624_100000183358 [0,2,0,0,0,0|2,0,0]=4 6222 B11R0.147 CCCNC(=O)NCCC(C)C 2708a_100000210545_100020643023 [0,2,0,0,0,0|1,0,0]=3 6223 B11R0.147 CCCNC(=O)NCCC(C)C 2708a_100020643023_100000210545 [0,2,0,0,0,0|1,0,0]=3 6224 B11R0.147 CCCNC(=O)NCCC(C)C 273464a_100000210545_100020643023 [0,2,0,0,0,0|1,0,0]=3 6225 B11R0.147 CCCNC(=O)NCCC(C)C 273464a_100020643023_100000210545 [0,2,0,0,0,0|1,0,0]=3 6226 B11R0.147 CCCNC(=O)NCCC(C)C 512a_100000210545_100020643023 [0,2,0,0,0,0|1,0,0]=3 6227 B11R0.147 CCCNC(=O)NCCC(C)C 512a_100020643023_100000210545 [0,2,0,0,0,0|1,0,0]=3 6228 B11R0.147 CCCNC(=O)NCCC(C)O 2708a_100020643023_200000755665 [0,2,0,0,0,0|2,0,0]=4 6229 B11R0.147 CCCNC(=O)NCCC(C)O 273464a_200000755665_100020643023 [0,2,0,0,0,0|2,0,0]=4 6230 B11R0.147 CCCNC(=O)NCCC(C)O 512a_100020643023_200000755665 [0,2,0,0,0,0|2,0,0]=4 6231 B11R0.147 CCCNC(=O)NCCC(C)O 512a_200000755665_100020643023 [0,2,0,0,0,0|2,0,0]=4 6232 B11R0.147 CCCNC(=O)NCCN(C)C 2708a_100020643023_100000210585 [0,2,0,0,0,0|2,0,0]=4 6233 B11R0.147 CCCNC(=O)NCCN(C)C 273464a_100000210585_100020643023 [0,2,0,0,0,0|2,0,0]=4 6234 B11R0.147 CCCNC(=O)NCCN(C)C 273464a_100020643023_100000210585 [0,2,0,0,0,0|2,0,0]=4 6235 B11R0.147 CCCNC(=O)NCCN(C)C 512a_100020643023_100000210585 [0,2,0,0,0,0|2,0,0]=4 6236 B11R0.147 CCCNC(=O)NNCC(C)C 273464a_100020643023_100000696102 [0,2,0,0,0,0|2,0,0]=4 6237 B11R0.147 CCCNC(=O)NNCC(C)C 512a_100000696102_100020643023 [0,2,0,0,0,0|2,0,0]=4 6238 B11R0.147 CCCNC(=O)NNCC(C)C 512a_100020643023_100000696102 [0,2,0,0,0,0|2,0,0]=4 6239 B11R0.147 CCCOC(=O)CNCC(C)C 2230a_100000210953_200011215008 [0,2,0,0,0,0|2,0,0]=4 6240 B11R0.147 CCCOC(=O)CNCC(C)C 34a_100000210953_200011215008 [0,2,0,0,0,0|2,0,0]=4 6241 B11R0.147 CCCOC(=O)COCC(C)C 34a_100000210257_200011215008 [0,2,0,0,0,0|2,0,0]=4 6242 B11R0.147 CCCOC(=O)CSCC(C)C 62a_100000210624_200011215008 [0,2,0,0,0,0|2,0,0]=4 6243 B11R0.147 CCCOC(=O)CSCC(C)C 62a_200011215008_100000210760 [0,2,0,0,0,0|2,0,0]=4 6244 B11R0.147 CCCOC(=O)OCNC(C)C 34a_100138425928_200000139673 [0,2,0,0,0,0|1,0,0]=3 6245 B11R0.147 CCCOC(=O)OCOC(C)C 34a_100000212225_200000139673 [0,2,0,0,0,0|1,0,0]=3 6246 B11R0.147 CCCOC(=O)OCSC(C)C 62a_100000210206_200000139673 [0,2,0,0,0,0|1,0,0]=3 6247 B11R0.147 CCNN=C(C)CCCC(C)C 4a_100000756455_100000753411 [0,2,0,0,0,0|2,0,0]=4 6248 B11R0.147 CCNNC(=O)CCCC(C)C 22a_100000756455_100011216857 [0,2,0,0,0,0|1,0,0]=3 6249 B11R0.147 CCNNC(=O)CCCC(C)O 22a_100000756455_100000761597 [0,2,0,0,0,0|2,0,0]=4 6250 B11R0.147 CCNNC(=O)CCCN(C)C 22a_100000756455_100000740757 [0,2,0,0,0,0|2,0,0]=4 6251 B11R0.147 CCNNC(=O)COCC(C)C 22a_100000756455_100011223364 [0,2,0,0,0,0|2,0,0]=4 6252 B11R0.147 CCNNC(=O)NCCC(C)C 273464a_100000210545_100000756455 [0,2,0,0,0,0|1,0,0]=3 6253 B11R0.147 CCNNC(=O)NCCC(C)C 512a_100000210545_100000756455 [0,2,0,0,0,0|1,0,0]=3 6254 B11R0.147 CCNNC(=O)NCCC(C)C 512a_100000756455_100000210545 [0,2,0,0,0,0|1,0,0]=3 6255 B11R0.147 CCNNC(=O)NCCC(C)O 273464a_200000755665_100000756455 [0,2,0,0,0,0|2,0,0]=4 6256 B11R0.147 CCNNC(=O)NCCC(C)O 512a_100000756455_200000755665 [0,2,0,0,0,0|2,0,0]=4 6257 B11R0.147 CCNNC(=O)NCCC(C)O 512a_200000755665_100000756455 [0,2,0,0,0,0|2,0,0]=4 6258 B11R0.147 CCNNC(=O)NCCN(C)C 273464a_100000210585_100000756455 [0,2,0,0,0,0|2,0,0]=4 6259 B11R0.147 CCNNC(=O)NCCN(C)C 512a_100000756455_100000210585 [0,2,0,0,0,0|2,0,0]=4 6260 B11R0.147 CCNNC(=O)NNCC(C)C 512a_100000696102_100000756455 [0,2,0,0,0,0|2,0,0]=4 6261 B11R0.147 CCNNC(=O)NNCC(C)C 512a_100000756455_100000696102 [0,2,0,0,0,0|2,0,0]=4 6262 B11R0.147 CCOCC(=O)CCCC(C)C 1458a_100000211967_100011214892 [0,2,0,0,0,0|1,0,0]=3 6263 B11R0.147 CCOCC(=O)CCCC(C)O 1458a_100000211967_200000718107 [0,2,0,0,0,0|2,0,0]=4 6264 B11R0.147 CCOCC(=O)CCCN(C)C 1458a_100000211967_100000695564 [0,2,0,0,0,0|2,0,0]=4 6265 B11R0.147 CCOCC(=O)CCOC(C)C 1458a_100000211967_100000211751 [0,2,0,0,0,0|2,0,0]=4 6266 B11R0.147 CCOCC(=O)CCSC(C)C 1458a_100000211967_100000730970 [0,2,0,0,0,0|2,0,0]=4 6267 B11R0.147 CCOCC(=O)NCCC(C)C 11a_100000210545_100000211967 [0,2,0,0,0,0|1,0,0]=3 6268 B11R0.147 CCOCC(=O)NCCC(C)C 1626a_100000210545_100000211967 [0,2,0,0,0,0|1,0,0]=3 6269 B11R0.147 CCOCC(=O)NCCC(C)C 240690a_100000210545_100000211967 [0,2,0,0,0,0|1,0,0]=3 6270 B11R0.147 CCOCC(=O)NCCC(C)C 527a_100000210545_100000211967 [0,2,0,0,0,0|1,0,0]=3 6271 B11R0.147 CCOCC(=O)NCCC(C)O 240690a_200000755665_100000211967 [0,2,0,0,0,0|2,0,0]=4 6272 B11R0.147 CCOCC(=O)NCCC(C)O 527a_200000755665_100000211967 [0,2,0,0,0,0|2,0,0]=4 6273 B11R0.147 CCOCC(=O)NCCN(C)C 240690a_100000210585_100000211967 [0,2,0,0,0,0|2,0,0]=4 6274 B11R0.147 CCOCC(=O)NCCN(C)C 527a_100000210585_100000211967 [0,2,0,0,0,0|2,0,0]=4 6275 B11R0.147 CCOCC(=O)NNCC(C)C 22a_100000696102_100000211967 [0,2,0,0,0,0|2,0,0]=4 6276 B11R0.147 CCOCC(C)OCCC(C)C 34a_100000718985_100000210312 [0,2,0,0,0,0|1,0,1]=4 6277 B11R0.147 CCOCC(C)OCCC(C)C 7a_100000718985_100000210626 [0,2,0,0,0,0|1,0,1]=4 6278 B11R0.147 CCSCC(=O)CCCC(C)C 1458a_100000230394_100011214892 [0,2,0,0,0,0|1,0,0]=3 6279 B11R0.147 CCSCC(=O)CCCC(C)O 1458a_100000230394_200000718107 [0,2,0,0,0,0|2,0,0]=4 6280 B11R0.147 CCSCC(=O)CCCN(C)C 1458a_100000230394_100000695564 [0,2,0,0,0,0|2,0,0]=4 6281 B11R0.147 CCSCC(=O)CCOC(C)C 1458a_100000230394_100000211751 [0,2,0,0,0,0|2,0,0]=4 6282 B11R0.147 CCSCC(=O)CCSC(C)C 1458a_100000230394_100000730970 [0,2,0,0,0,0|2,0,0]=4 6283 B11R0.147 CCSCC(=O)NCCC(C)C 11a_100000210545_100000230394 [0,2,0,0,0,0|1,0,0]=3 6284 B11R0.147 CCSCC(=O)NCCC(C)C 1626a_100000210545_100000230394 [0,2,0,0,0,0|1,0,0]=3 6285 B11R0.147 CCSCC(=O)NCCC(C)C 240690a_100000210545_100000230394 [0,2,0,0,0,0|1,0,0]=3 6286 B11R0.147 CCSCC(=O)NCCC(C)C 527a_100000210545_100000230394 [0,2,0,0,0,0|1,0,0]=3 6287 B11R0.147 CCSCC(=O)NCCC(C)O 240690a_200000755665_100000230394 [0,2,0,0,0,0|2,0,0]=4 6288 B11R0.147 CCSCC(=O)NCCC(C)O 527a_200000755665_100000230394 [0,2,0,0,0,0|2,0,0]=4 6289 B11R0.147 CCSCC(=O)NCCN(C)C 240690a_100000210585_100000230394 [0,2,0,0,0,0|2,0,0]=4 6290 B11R0.147 CCSCC(=O)NCCN(C)C 527a_100000210585_100000230394 [0,2,0,0,0,0|2,0,0]=4 6291 B11R0.147 CCSCC(=O)NNCC(C)C 22a_100000696102_100000230394 [0,2,0,0,0,0|2,0,0]=4 6292 B11R0.147 CN(C)CCCC(=O)CCC#N 1458a_100011934036_100000695564 [0,2,0,0,0,0|2,0,0]=4 6293 B11R0.147 CN(C)CCCC(=O)NCCF 11a_100000724931_100000740757 [0,2,0,0,0,0|2,0,0]=4 6294 B11R0.147 CN(C)CCCC(=O)NCCF 240690a_100000724931_100000740757 [0,2,0,0,0,0|2,0,0]=4 6295 B11R0.147 CN(C)CCCC(=O)NCCO 240690a_100000210304_100000740757 [0,2,0,0,0,0|2,0,0]=4 6296 B11R0.147 CN(C)CCNC(=O)CCC#N 240690a_100000210585_100011934036 [0,2,0,0,0,0|2,0,0]=4 6297 B11R0.147 CN(C)CCNC(=O)CCC#N 527a_100000210585_100011934036 [0,2,0,0,0,0|2,0,0]=4 6298 B11R0.147 CN(C)CCNC(=O)NCCF 273464a_100000210585_100000724931 [0,2,0,0,0,0|2,0,0]=4 6299 B11R0.147 CN(C)CCNC(=O)NCCF 273464a_100000724931_100000210585 [0,2,0,0,0,0|2,0,0]=4 6300 B11R0.147 CN(C)CCNC(=O)NCCO 273464a_100000210304_100000210585 [0,2,0,0,0,0|2,0,0]=4 6301 B11R0.147 CN(C)CCNC(=O)NCCO 273464a_100000210585_100000210304 [0,2,0,0,0,0|2,0,0]=4 6302 B11R0.147 COC=CC(=O)CCCC(C)C 1458a_100016268678_100011214892 [0,2,0,0,0,0|1,0,1]=4 6303 B11R0.147 COC=CC(=O)NCCC(C)C 1626a_100000210545_100016268678 [0,2,0,0,0,0|1,0,1]=4 6304 B11R0.147 COC=CC(=O)NCCC(C)C 240690a_100000210545_100016268678 [0,2,0,0,0,0|1,0,1]=4 6305 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100000749529_100011214892 [0,2,0,0,0,0|1,0,0]=3 6306 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100011216857_100000233755 [0,2,0,0,0,0|1,0,0]=3 6307 B11R0.147 COCCC(=O)CCCC(C)O 1458a_100000749529_200000718107 [0,2,0,0,0,0|2,0,0]=4 6308 B11R0.147 COCCC(=O)CCCN(C)C 1458a_100000749529_100000695564 [0,2,0,0,0,0|2,0,0]=4 6309 B11R0.147 COCCC(=O)CCOC(C)C 1458a_100000749529_100000211751 [0,2,0,0,0,0|2,0,0]=4 6310 B11R0.147 COCCC(=O)CCSC(C)C 1458a_100000749529_100000730970 [0,2,0,0,0,0|2,0,0]=4 6311 B11R0.147 COCCC(=O)COCC(C)C 1458a_100011223364_100000233755 [0,2,0,0,0,0|2,0,0]=4 6312 B11R0.147 COCCC(=O)NCCC(C)C 11a_100000210545_100000749529 [0,2,0,0,0,0|1,0,0]=3 6313 B11R0.147 COCCC(=O)NCCC(C)C 1626a_100000210545_100000749529 [0,2,0,0,0,0|1,0,0]=3 6314 B11R0.147 COCCC(=O)NCCC(C)C 240690a_100000210545_100000749529 [0,2,0,0,0,0|1,0,0]=3 6315 B11R0.147 COCCC(=O)NCCC(C)C 527a_100000210545_100000749529 [0,2,0,0,0,0|1,0,0]=3 6316 B11R0.147 COCCC(=O)NCCC(C)O 240690a_200000755665_100000749529 [0,2,0,0,0,0|2,0,0]=4 6317 B11R0.147 COCCC(=O)NCCC(C)O 527a_200000755665_100000749529 [0,2,0,0,0,0|2,0,0]=4 6318 B11R0.147 COCCC(=O)NCCN(C)C 240690a_100000210585_100000749529 [0,2,0,0,0,0|2,0,0]=4 6319 B11R0.147 COCCC(=O)NCCN(C)C 527a_100000210585_100000749529 [0,2,0,0,0,0|2,0,0]=4 6320 B11R0.147 COCCC(=O)NNCC(C)C 22a_100000696102_100000749529 [0,2,0,0,0,0|2,0,0]=4 6321 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100000174002_100011214892 [0,2,0,0,0,0|1,0,0]=3 6322 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100011216857_100000751147 [0,2,0,0,0,0|1,0,0]=3 6323 B11R0.147 CSCCC(=O)CCCC(C)O 1458a_100000174002_200000718107 [0,2,0,0,0,0|2,0,0]=4 6324 B11R0.147 CSCCC(=O)CCCN(C)C 1458a_100000174002_100000695564 [0,2,0,0,0,0|2,0,0]=4 6325 B11R0.147 CSCCC(=O)CCOC(C)C 1458a_100000174002_100000211751 [0,2,0,0,0,0|2,0,0]=4 6326 B11R0.147 CSCCC(=O)CCSC(C)C 1458a_100000174002_100000730970 [0,2,0,0,0,0|2,0,0]=4 6327 B11R0.147 CSCCC(=O)COCC(C)C 1458a_100011223364_100000751147 [0,2,0,0,0,0|2,0,0]=4 6328 B11R0.147 CSCCC(=O)NCCC(C)C 11a_100000210545_100000174002 [0,2,0,0,0,0|1,0,0]=3 6329 B11R0.147 CSCCC(=O)NCCC(C)C 1626a_100000210545_100000174002 [0,2,0,0,0,0|1,0,0]=3 6330 B11R0.147 CSCCC(=O)NCCC(C)C 240690a_100000210545_100000174002 [0,2,0,0,0,0|1,0,0]=3 6331 B11R0.147 CSCCC(=O)NCCC(C)C 527a_100000210545_100000174002 [0,2,0,0,0,0|1,0,0]=3 6332 B11R0.147 CSCCC(=O)NCCC(C)O 240690a_200000755665_100000174002 [0,2,0,0,0,0|2,0,0]=4 6333 B11R0.147 CSCCC(=O)NCCC(C)O 527a_200000755665_100000174002 [0,2,0,0,0,0|2,0,0]=4 6334 B11R0.147 CSCCC(=O)NCCN(C)C 240690a_100000210585_100000174002 [0,2,0,0,0,0|2,0,0]=4 6335 B11R0.147 CSCCC(=O)NCCN(C)C 527a_100000210585_100000174002 [0,2,0,0,0,0|2,0,0]=4 6336 B11R0.147 CSCCC(=O)NNCC(C)C 22a_100000696102_100000174002 [0,2,0,0,0,0|2,0,0]=4 6337 B11R0.174 C#CC(C)NCOC(=O)CCC 2230a_100000707721_100000034017 [0,2,0,0,0,0|1,0,1]=4 6338 B11R0.174 C#CC(C)NCOC(=O)CCC 34a_100000707721_100000034017 [0,2,0,0,0,0|1,0,1]=4 6339 B11R0.174 C#CC(C)SCOC(=O)CCC 62a_200000035995_100000034017 [0,2,0,0,0,0|1,0,1]=4 6340 B11R0.174 C#CC(C)SCOC(=O)OCC 62a_200000035995_100000075025 [0,2,0,0,0,0|1,0,1]=4 6341 B11R0.174 C#CCC(=O)NCCC(C)CC 1626a_100020591266_100011220946 [0,2,0,0,0,0|1,0,1]=4 6342 B11R0.174 C#CCC(=O)NCCC(C)CC 527a_100020591266_100011220946 [0,2,0,0,0,0|1,0,1]=4 6343 B11R0.174 C#CCC(=O)NCCC(C)CO 527a_106354213184_100011220946 [0,2,0,0,0,0|1,0,1]=4 6344 B11R0.174 C#CCN(C)CCOC(=O)NC 34a_100000225692_200011997002 [0,2,0,0,0,0|2,0,0]=4 6345 B11R0.174 C#C[C@@H](C)OCOC(=O)CCC 34a_100009815206_100000034017 [0,2,0,0,0,0|1,0,1]=4 6346 B11R0.174 C=CC(C)OCOC(=O)CCC 34a_100000695699_100000034017 [0,2,0,0,0,0|1,0,1]=4 6347 B11R0.174 C=CC(C)SCOC(=O)CCC 62a_100011215867_100000034017 [0,2,0,0,0,0|1,0,1]=4 6348 B11R0.174 C=CC(C)SCOC(=O)OCC 62a_100011215867_100000075025 [0,2,0,0,0,0|1,0,1]=4 6349 B11R0.174 C=CCC(=O)NCCC(C)CC 11a_100020591266_100000210193 [0,2,0,0,0,0|1,0,1]=4 6350 B11R0.174 C=CCC(=O)NCCC(C)CC 1626a_100020591266_100000210193 [0,2,0,0,0,0|1,0,1]=4 6351 B11R0.174 C=CCC(=O)NCCC(C)CC 240690a_100020591266_100000210193 [0,2,0,0,0,0|1,0,1]=4 6352 B11R0.174 C=CCC(=O)NCCC(C)CC 527a_100020591266_100000210193 [0,2,0,0,0,0|1,0,1]=4 6353 B11R0.174 C=CCC(=O)NCCC(C)CO 240690a_106354213184_100000210193 [0,2,0,0,0,0|1,0,1]=4 6354 B11R0.174 C=CCC(=O)NCCC(C)CO 527a_106354213184_100000210193 [0,2,0,0,0,0|1,0,1]=4 6355 B11R0.174 C=CCC(C)COCC(=O)CC 7a_100009832082_100000747405 [0,2,0,0,0,0|2,0,0]=4 6356 B11R0.174 C=CCN(C)CCOC(=O)NC 269982a_100000225617_200011997002 [0,2,0,0,0,0|2,0,0]=4 6357 B11R0.174 CC(CO)CCNC(=O)CC#N 240690a_106354213184_100051588842 [0,2,0,0,0,0|1,0,1]=4 6358 B11R0.174 CC(CO)CCNC(=O)CCO 240690a_106354213184_100011216618 [0,2,0,0,0,0|1,0,0]=3 6359 B11R0.174 CC=CC(=O)NCCC(C)CC 11a_100020591266_100000210699 [0,2,0,0,0,0|1,0,1]=4 6360 B11R0.174 CC=CC(=O)NCCC(C)CC 1626a_100020591266_100000210699 [0,2,0,0,0,0|1,0,1]=4 6361 B11R0.174 CC=CC(=O)NCCC(C)CC 240690a_100020591266_100000210699 [0,2,0,0,0,0|1,0,1]=4 6362 B11R0.174 CC=CC(=O)NCCC(C)CO 240690a_106354213184_100000210699 [0,2,0,0,0,0|1,0,1]=4 6363 B11R0.174 CCC(C)CCNC(=O)CC#N 1626a_100020591266_100051588842 [0,2,0,0,0,0|1,0,1]=4 6364 B11R0.174 CCC(C)CCNC(=O)CC#N 240690a_100020591266_100051588842 [0,2,0,0,0,0|1,0,1]=4 6365 B11R0.174 CCC(C)CCNC(=O)CCO 240690a_100020591266_100011216618 [0,2,0,0,0,0|1,0,0]=3 6366 B11R0.174 CCC(C)CCNC(=O)COC 11a_100020591266_100000210968 [0,2,0,0,0,0|1,0,0]=3 6367 B11R0.174 CCC(C)CCNC(=O)COC 1626a_100020591266_100000210968 [0,2,0,0,0,0|1,0,0]=3 6368 B11R0.174 CCC(C)CCNC(=O)COC 240690a_100020591266_100000210968 [0,2,0,0,0,0|1,0,0]=3 6369 B11R0.174 CCC(C)CCNC(=O)COC 527a_100020591266_100000210968 [0,2,0,0,0,0|1,0,0]=3 6370 B11R0.174 CCC(C)CCNC(=O)CSC 11a_100020591266_100000184570 [0,2,0,0,0,0|1,0,0]=3 6371 B11R0.174 CCC(C)CCNC(=O)CSC 1626a_100020591266_100000184570 [0,2,0,0,0,0|1,0,0]=3 6372 B11R0.174 CCC(C)CCNC(=O)CSC 240690a_100020591266_100000184570 [0,2,0,0,0,0|1,0,0]=3 6373 B11R0.174 CCC(C)CCNC(=O)CSC 527a_100020591266_100000184570 [0,2,0,0,0,0|1,0,0]=3 6374 B11R0.174 CCC(C)CCNC(=O)NNC 273464a_100020591266_100016993582 [0,2,0,0,0,0|2,0,0]=4 6375 B11R0.174 CCC(C)CCNC(=O)NNC 512a_100016993582_100020591266 [0,2,0,0,0,0|2,0,0]=4 6376 B11R0.174 CCC(C)CCNC(=O)NNC 512a_100020591266_100016993582 [0,2,0,0,0,0|2,0,0]=4 6377 B11R0.174 CCC(C)CCOC(C)CCO 7a_100011215188_100009893172 [0,2,0,0,0,0|1,0,1]=4 6378 B11R0.174 CCC(C)CCOC(C)COC 7a_100011215188_100000765312 [0,2,0,0,0,0|1,0,1]=4 6379 B11R0.174 CCCC(=O)CCCN(C)CC 1458a_100000211992_100015186262 [0,2,0,0,0,0|2,0,0]=4 6380 B11R0.174 CCCC(=O)CNCC(C)CC 2230a_100020588543_100000747444 [0,2,0,0,0,0|2,0,0]=4 6381 B11R0.174 CCCC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747444 [0,2,0,0,0,0|2,0,0]=4 6382 B11R0.174 CCCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747444 [0,2,0,0,0,0|2,0,0]=4 6383 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000747444_100000748023 [0,2,0,0,0,0|2,0,0]=4 6384 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000748023_100000747444 [0,2,0,0,0,0|2,0,0]=4 6385 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100000747444_100009816398 [0,2,0,0,0,0|2,0,0]=4 6386 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747444 [0,2,0,0,0,0|2,0,0]=4 6387 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747444 [0,2,0,0,0,0|2,0,0]=4 6388 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000747444_100000059175 [0,2,0,0,0,0|2,0,0]=4 6389 B11R0.174 CCCC(=O)NCCC(C)CC 11a_100020591266_100000211992 [0,2,0,0,0,0|1,0,0]=3 6390 B11R0.174 CCCC(=O)NCCC(C)CC 1626a_100020591266_100000211992 [0,2,0,0,0,0|1,0,0]=3 6391 B11R0.174 CCCC(=O)NCCC(C)CC 240690a_100020591266_100000211992 [0,2,0,0,0,0|1,0,0]=3 6392 B11R0.174 CCCC(=O)NCCC(C)CC 527a_100020591266_100000211992 [0,2,0,0,0,0|1,0,0]=3 6393 B11R0.174 CCCC(=O)NCCC(C)CO 240690a_106354213184_100000211992 [0,2,0,0,0,0|1,0,0]=3 6394 B11R0.174 CCCC(=O)NCCC(C)CO 527a_106354213184_100000211992 [0,2,0,0,0,0|1,0,0]=3 6395 B11R0.174 CCCC(=O)OCNC(C)C#N 2230a_100000737613_100000034017 [0,2,0,0,0,0|1,0,1]=4 6396 B11R0.174 CCCC(=O)OCNC(C)CC 2230a_100000209981_100000034017 [0,2,0,0,0,0|1,0,0]=3 6397 B11R0.174 CCCC(=O)OCN[C@H](C)CO 2230a_100000737577_100000034017 [0,2,0,0,0,0|1,0,0]=3 6398 B11R0.174 CCCC(=O)OCOC(C)C#N 34a_100011218135_100000034017 [0,2,0,0,0,0|1,0,1]=4 6399 B11R0.174 CCCC(=O)OCOC(C)CF 34a_100016041109_100000034017 [0,2,0,0,0,0|1,0,0]=3 6400 B11R0.174 CCCC(=O)OCOC(C)CN 34a_100000210904_100000034017 [0,2,0,0,0,0|1,0,0]=3 6401 B11R0.174 CCCC(=O)OCSC(C)C#N 62a_100000703298_100000034017 [0,2,0,0,0,0|1,0,1]=4 6402 B11R0.174 CCCC(=O)OCSC(C)CC 62a_100000758301_100000034017 [0,2,0,0,0,0|1,0,0]=3 6403 B11R0.174 CCCC(=O)OCSC(C)CO 62a_100012180447_100000034017 [0,2,0,0,0,0|1,0,0]=3 6404 B11R0.174 CCCC(=O)OCSC(C)OC 62a_100009879195_100000034017 [0,2,0,0,0,0|1,0,0]=3 6405 B11R0.174 CCCC(=O)OCS[C@H](C)CO 62a_100016084084_100000034017 [0,2,0,0,0,0|1,0,0]=3 6406 B11R0.174 CCCC(C)CCOC(C)CC 34a_100011217855_100011215416 [0,2,0,0,0,0|1,0,1]=4 6407 B11R0.174 CCCC(C)CCOC(C)CC 7a_100011217855_100000758301 [0,2,0,0,0,0|1,0,1]=4 6408 B11R0.174 CCCC(C)COCC(=O)CC 34a_100000725409_100011216630 [0,2,0,0,0,0|2,0,0]=4 6409 B11R0.174 CCCC(C)COCC(=O)CC 7a_100000688023_100000747405 [0,2,0,0,0,0|2,0,0]=4 6410 B11R0.174 CCCC(C)CSCC(=O)CC 62a_100000747405_100011216630 [0,2,0,0,0,0|2,0,0]=4 6411 B11R0.174 CCCC(C)CSCC(=O)CC 62a_100011216630_100000747405 [0,2,0,0,0,0|2,0,0]=4 6412 B11R0.174 CCCC(C)OCCC(C)CC 7a_100011215188_100000766640 [0,2,0,0,0,0|1,0,1]=4 6413 B11R0.174 CCCC(C)OCCC(C)OC 7a_100000764861_100000766640 [0,2,0,0,0,0|1,0,1]=4 6414 B11R0.174 CCCC(C)SCOC(=O)OC 62a_100000766640_100000139417 [0,2,0,0,0,0|2,0,0]=4 6415 B11R0.174 CCCN(C)CCOC(=O)NC 269982a_100000747261_200011997002 [0,2,0,0,0,0|2,0,0]=4 6416 B11R0.174 CCN(C)CCCC(=O)CCO 1458a_100011216618_100015186262 [0,2,0,0,0,0|2,0,0]=4 6417 B11R0.174 CCN(C)CCCC(=O)COC 1458a_100000210968_100015186262 [0,2,0,0,0,0|2,0,0]=4 6418 B11R0.174 CCN(C)CCCC(=O)CSC 1458a_100000184570_100015186262 [0,2,0,0,0,0|2,0,0]=4 6419 B11R0.174 CCNC(=O)CCNC(C)CC 2230a_100000209981_100000737597 [0,2,0,0,0,0|2,0,0]=4 6420 B11R0.174 CCNC(=O)CCNC(C)CC 34a_100025743525_100011215416 [0,2,0,0,0,0|2,0,0]=4 6421 B11R0.174 CCNC(=O)CCNC(C)CO 34a_100025743525_100012180447 [0,2,0,0,0,0|2,0,0]=4 6422 B11R0.174 CCNC(=O)CCN[C@H](C)CO 2230a_100000737577_100000737597 [0,2,0,0,0,0|2,0,0]=4 6423 B11R0.174 CCNC(=O)CCOC(C)CC 7a_100000210228_100000737597 [0,2,0,0,0,0|2,0,0]=4 6424 B11R0.174 CCNC(=O)CCOC(C)CF 7a_100016041109_100000737597 [0,2,0,0,0,0|2,0,0]=4 6425 B11R0.174 CCNC(=O)CCSC(C)CC 62a_100000737597_100000758301 [0,2,0,0,0,0|2,0,0]=4 6426 B11R0.174 CCNC(=O)CCSC(C)CC 62a_100000758301_100000737597 [0,2,0,0,0,0|2,0,0]=4 6427 B11R0.174 CCNC(=O)CCSC(C)CO 62a_100012180447_100000737597 [0,2,0,0,0,0|2,0,0]=4 6428 B11R0.174 CCNC(=O)CCSC(C)OC 62a_100000737597_100009879195 [0,2,0,0,0,0|2,0,0]=4 6429 B11R0.174 CCNC(=O)CCSC(C)OC 62a_100009879195_100000737597 [0,2,0,0,0,0|2,0,0]=4 6430 B11R0.174 CCNC(=O)CCS[C@H](C)CO 62a_100000737597_100016084084 [0,2,0,0,0,0|2,0,0]=4 6431 B11R0.174 CCNC(=O)CCS[C@H](C)CO 62a_100016084084_100000737597 [0,2,0,0,0,0|2,0,0]=4 6432 B11R0.174 CCNC(=O)CNCC(C)CC 2230a_100016988866_100000748023 [0,2,0,0,0,0|2,0,0]=4 6433 B11R0.174 CCNC(=O)CNCC(C)CC 2230a_100020588543_100000183381 [0,2,0,0,0,0|2,0,0]=4 6434 B11R0.174 CCNC(=O)CNCC(C)CC 270004a_100016988866_100000243153 [0,2,0,0,0,0|2,0,0]=4 6435 B11R0.174 CCNC(=O)CNCC(C)CO 34a_100000744482_100000183381 [0,2,0,0,0,0|2,0,0]=4 6436 B11R0.174 CCNC(=O)CNC[C@@H](C)CC 2230a_100016988866_100009816398 [0,2,0,0,0,0|2,0,0]=4 6437 B11R0.174 CCNC(=O)CNC[C@@H](C)CO 2230a_100016988866_100000059175 [0,2,0,0,0,0|2,0,0]=4 6438 B11R0.174 CCNC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000183381 [0,2,0,0,0,0|2,0,0]=4 6439 B11R0.174 CCNC(=O)COCC(C)CN 34a_100000744482_100000183381 [0,2,0,0,0,0|2,0,0]=4 6440 B11R0.174 CCNC(=O)COCC(C)OC 34a_100000690652_100000183381 [0,2,0,0,0,0|2,0,0]=4 6441 B11R0.174 CCNC(=O)COC[C@@H](C)CC 7a_100009816381_100000183381 [0,2,0,0,0,0|2,0,0]=4 6442 B11R0.174 CCNC(=O)CSCC(C)CC 62a_100000183381_100000748023 [0,2,0,0,0,0|2,0,0]=4 6443 B11R0.174 CCNC(=O)CSCC(C)CC 62a_100000748023_100000183381 [0,2,0,0,0,0|2,0,0]=4 6444 B11R0.174 CCNC(=O)CSC[C@@H](C)CC 62a_100000183381_100009816398 [0,2,0,0,0,0|2,0,0]=4 6445 B11R0.174 CCNC(=O)CSC[C@@H](C)CC 62a_100009816398_100000183381 [0,2,0,0,0,0|2,0,0]=4 6446 B11R0.174 CCNC(=O)CSC[C@@H](C)CO 62a_100000059175_100000183381 [0,2,0,0,0,0|2,0,0]=4 6447 B11R0.174 CCNC(=O)CSC[C@@H](C)CO 62a_100000183381_100000059175 [0,2,0,0,0,0|2,0,0]=4 6448 B11R0.174 CCNC(=O)NCCC(C)CC 2708a_100015525214_100020591266 [0,2,0,0,0,0|1,0,0]=3 6449 B11R0.174 CCNC(=O)NCCC(C)CC 2708a_100020591266_100015525214 [0,2,0,0,0,0|1,0,0]=3 6450 B11R0.174 CCNC(=O)NCCC(C)CC 273464a_100015525214_100020591266 [0,2,0,0,0,0|1,0,0]=3 6451 B11R0.174 CCNC(=O)NCCC(C)CC 273464a_100020591266_100015525214 [0,2,0,0,0,0|1,0,0]=3 6452 B11R0.174 CCNC(=O)NCCC(C)CC 512a_100015525214_100020591266 [0,2,0,0,0,0|1,0,0]=3 6453 B11R0.174 CCNC(=O)NCCC(C)CC 512a_100020591266_100015525214 [0,2,0,0,0,0|1,0,0]=3 6454 B11R0.174 CCNC(=O)NCCC(C)CO 2708a_100015525214_106354213184 [0,2,0,0,0,0|1,0,0]=3 6455 B11R0.174 CCNC(=O)NCCC(C)CO 273464a_100015525214_106354213184 [0,2,0,0,0,0|1,0,0]=3 6456 B11R0.174 CCNC(=O)NCCC(C)CO 273464a_106354213184_100015525214 [0,2,0,0,0,0|1,0,0]=3 6457 B11R0.174 CCNC(=O)NCCC(C)CO 512a_100015525214_106354213184 [0,2,0,0,0,0|1,0,0]=3 6458 B11R0.174 CCNC(=O)NCCC(C)CO 512a_106354213184_100015525214 [0,2,0,0,0,0|1,0,0]=3 6459 B11R0.174 CCOC(=O)CCCN(C)CC 2230a_100000225621_100009991533 [0,2,0,0,0,0|2,0,0]=4 6460 B11R0.174 CCOC(=O)CCCN(C)CC 269982a_100000225621_100009991533 [0,2,0,0,0,0|2,0,0]=4 6461 B11R0.174 CCOC(=O)CCNC(C)CC 2230a_100000209981_100011206558 [0,2,0,0,0,0|2,0,0]=4 6462 B11R0.174 CCOC(=O)CCN[C@H](C)CO 2230a_100000737577_100011206558 [0,2,0,0,0,0|2,0,0]=4 6463 B11R0.174 CCOC(=O)CCOC(C)CC 7a_100000210228_100011206558 [0,2,0,0,0,0|2,0,0]=4 6464 B11R0.174 CCOC(=O)CCOC(C)CF 34a_100016041109_100000765890 [0,2,0,0,0,0|2,0,0]=4 6465 B11R0.174 CCOC(=O)CCOC(C)CF 7a_100016041109_100011206558 [0,2,0,0,0,0|2,0,0]=4 6466 B11R0.174 CCOC(=O)CCOC(C)CN 34a_100000210904_100000765890 [0,2,0,0,0,0|2,0,0]=4 6467 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000758301_100000765890 [0,2,0,0,0,0|2,0,0]=4 6468 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000765890_100000758301 [0,2,0,0,0,0|2,0,0]=4 6469 B11R0.174 CCOC(=O)CCSC(C)CO 62a_100012180447_100000765890 [0,2,0,0,0,0|2,0,0]=4 6470 B11R0.174 CCOC(=O)CCSC(C)OC 62a_100000765890_100009879195 [0,2,0,0,0,0|2,0,0]=4 6471 B11R0.174 CCOC(=O)CCSC(C)OC 62a_100009879195_100000765890 [0,2,0,0,0,0|2,0,0]=4 6472 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100000765890_100016084084 [0,2,0,0,0,0|2,0,0]=4 6473 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100016084084_100000765890 [0,2,0,0,0,0|2,0,0]=4 6474 B11R0.174 CCOC(=O)CNCC(C)CC 2230a_100020588543_100000188475 [0,2,0,0,0,0|2,0,0]=4 6475 B11R0.174 CCOC(=O)CNCC(C)CO 34a_100000744482_100000188475 [0,2,0,0,0,0|2,0,0]=4 6476 B11R0.174 CCOC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000188475 [0,2,0,0,0,0|2,0,0]=4 6477 B11R0.174 CCOC(=O)COCC(C)CN 34a_100000744482_100000188475 [0,2,0,0,0,0|2,0,0]=4 6478 B11R0.174 CCOC(=O)COCC(C)OC 34a_100000690652_100000188475 [0,2,0,0,0,0|2,0,0]=4 6479 B11R0.174 CCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000188475 [0,2,0,0,0,0|2,0,0]=4 6480 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000188475_100000748023 [0,2,0,0,0,0|2,0,0]=4 6481 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000748023_100000188475 [0,2,0,0,0,0|2,0,0]=4 6482 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100000188475_100009816398 [0,2,0,0,0,0|2,0,0]=4 6483 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000188475 [0,2,0,0,0,0|2,0,0]=4 6484 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000059175_100000188475 [0,2,0,0,0,0|2,0,0]=4 6485 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000188475_100000059175 [0,2,0,0,0,0|2,0,0]=4 6486 B11R0.174 CCOC(=O)NCCN(C)CC 269982a_100000225621_200011445536 [0,2,0,0,0,0|2,0,0]=4 6487 B11R0.174 CCOC(=O)OCSC(C)C#N 62a_100000703298_100000075025 [0,2,0,0,0,0|1,0,1]=4 6488 B11R0.174 CCOC(=O)OCSC(C)CC 62a_100000758301_100000075025 [0,2,0,0,0,0|1,0,0]=3 6489 B11R0.174 CCOC(=O)OCSC(C)CO 62a_100012180447_100000075025 [0,2,0,0,0,0|1,0,0]=3 6490 B11R0.174 CCOC(=O)OCSC(C)OC 62a_100009879195_100000075025 [0,2,0,0,0,0|1,0,0]=3 6491 B11R0.174 CCOC(=O)OCS[C@H](C)CO 62a_100016084084_100000075025 [0,2,0,0,0,0|1,0,0]=3 6492 B11R0.174 CNC(=O)OCCN(C)CCO 269982a_100000210263_200011997002 [0,2,0,0,0,0|2,0,0]=4 6493 B11R0.174 CNNC(=O)NCCC(C)CO 273464a_106354213184_100016993582 [0,2,0,0,0,0|2,0,0]=4 6494 B11R0.174 CNNC(=O)NCCC(C)CO 512a_100016993582_106354213184 [0,2,0,0,0,0|2,0,0]=4 6495 B11R0.174 CNNC(=O)NCCC(C)CO 512a_106354213184_100016993582 [0,2,0,0,0,0|2,0,0]=4 6496 B11R0.174 COC(=O)OCSC(C)CC#N 62a_100009813641_100000139417 [0,2,0,0,0,0|2,0,0]=4 6497 B11R0.174 COC(=O)OCSC(C)CCO 62a_100009893172_100000139417 [0,2,0,0,0,0|2,0,0]=4 6498 B11R0.174 COC(C)CCOC(C)CCO 7a_100000764861_100009893172 [0,2,0,0,0,0|1,0,1]=4 6499 B11R0.174 COCC(=O)NCCC(C)CO 240690a_106354213184_100000210968 [0,2,0,0,0,0|1,0,0]=3 6500 B11R0.174 COCC(=O)NCCC(C)CO 527a_106354213184_100000210968 [0,2,0,0,0,0|1,0,0]=3 6501 B11R0.174 COCC(C)OCCC(C)OC 7a_100000764861_100000765312 [0,2,0,0,0,0|1,0,1]=4 6502 B11R0.174 COCC(C)SCOC(=O)OC 62a_100000765312_100000139417 [0,2,0,0,0,0|2,0,0]=4 6503 B11R0.174 CSCC(=O)NCCC(C)CO 240690a_106354213184_100000184570 [0,2,0,0,0,0|1,0,0]=3 6504 B11R0.174 CSCC(=O)NCCC(C)CO 527a_106354213184_100000184570 [0,2,0,0,0,0|1,0,0]=3 6505 B11R0.180 C#CCC(=O)NCCC(C)(C)C 1626a_100000738805_100011220946 [0,2,0,0,0,0|1,0,1]=4 6506 B11R0.180 C#CCC(=O)NCCC(C)(C)C 527a_100000738805_100011220946 [0,2,0,0,0,0|1,0,1]=4 6507 B11R0.180 C#CCC(=O)NCCC(C)(C)F 1626a_100016253952_100011220946 [0,2,0,0,0,0|1,0,1]=4 6508 B11R0.180 C#CCC(=O)NCCC(C)(C)F 527a_100016253952_100011220946 [0,2,0,0,0,0|1,0,1]=4 6509 B11R0.180 C#CCC(=O)NCCC(C)(C)O 1626a_100000707701_100011220946 [0,2,0,0,0,0|1,0,1]=4 6510 B11R0.180 C#CCC(=O)NCCC(C)(C)O 527a_100000707701_100011220946 [0,2,0,0,0,0|1,0,1]=4 6511 B11R0.180 C=CCC(=O)NCCC(C)(C)C 11a_100000738805_100000210193 [0,2,0,0,0,0|1,0,1]=4 6512 B11R0.180 C=CCC(=O)NCCC(C)(C)C 1626a_100000738805_100000210193 [0,2,0,0,0,0|1,0,1]=4 6513 B11R0.180 C=CCC(=O)NCCC(C)(C)C 240690a_100000738805_100000210193 [0,2,0,0,0,0|1,0,1]=4 6514 B11R0.180 C=CCC(=O)NCCC(C)(C)C 527a_100000738805_100000210193 [0,2,0,0,0,0|1,0,1]=4 6515 B11R0.180 C=CCC(=O)NCCC(C)(C)F 11a_100016253952_100000210193 [0,2,0,0,0,0|1,0,1]=4 6516 B11R0.180 C=CCC(=O)NCCC(C)(C)F 1626a_100016253952_100000210193 [0,2,0,0,0,0|1,0,1]=4 6517 B11R0.180 C=CCC(=O)NCCC(C)(C)F 240690a_100016253952_100000210193 [0,2,0,0,0,0|1,0,1]=4 6518 B11R0.180 C=CCC(=O)NCCC(C)(C)F 527a_100016253952_100000210193 [0,2,0,0,0,0|1,0,1]=4 6519 B11R0.180 C=CCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210193 [0,2,0,0,0,0|1,0,1]=4 6520 B11R0.180 C=CCC(=O)NCCC(C)(C)O 527a_100000707701_100000210193 [0,2,0,0,0,0|1,0,1]=4 6521 B11R0.180 CC(C)(C)CCNC(=O)CC#N 1626a_100000738805_100051588842 [0,2,0,0,0,0|1,0,1]=4 6522 B11R0.180 CC(C)(C)CCNC(=O)CC#N 240690a_100000738805_100051588842 [0,2,0,0,0,0|1,0,1]=4 6523 B11R0.180 CC(C)(C)CCNC(=O)CCO 240690a_100000738805_100011216618 [0,2,0,0,0,0|1,0,0]=3 6524 B11R0.180 CC(C)(F)CCNC(=O)CC#N 1626a_100016253952_100051588842 [0,2,0,0,0,0|1,0,1]=4 6525 B11R0.180 CC(C)(F)CCNC(=O)CC#N 240690a_100016253952_100051588842 [0,2,0,0,0,0|1,0,1]=4 6526 B11R0.180 CC(C)(F)CCNC(=O)CCO 240690a_100016253952_100011216618 [0,2,0,0,0,0|1,0,0]=3 6527 B11R0.180 CC(C)(O)CCNC(=O)CC#N 1626a_100000707701_100051588842 [0,2,0,0,0,0|1,0,1]=4 6528 B11R0.180 CC(CCBr)OCCC(C)(C)C 34a_100012276601_100000755188 [0,2,0,0,0,0|1,0,1]=4 6529 B11R0.180 CC(CCBr)OCCC(C)(C)O 34a_100012276601_100000702414 [0,2,0,0,0,0|1,0,1]=4 6530 B11R0.180 CC(CCO)OCCC(C)(C)C 7a_100000765024_100009893172 [0,2,0,0,0,0|1,0,1]=4 6531 B11R0.180 CC=CC(=O)NCCC(C)(C)C 11a_100000738805_100000210699 [0,2,0,0,0,0|1,0,1]=4 6532 B11R0.180 CC=CC(=O)NCCC(C)(C)C 1626a_100000738805_100000210699 [0,2,0,0,0,0|1,0,1]=4 6533 B11R0.180 CC=CC(=O)NCCC(C)(C)C 240690a_100000738805_100000210699 [0,2,0,0,0,0|1,0,1]=4 6534 B11R0.180 CC=CC(=O)NCCC(C)(C)F 11a_100016253952_100000210699 [0,2,0,0,0,0|1,0,1]=4 6535 B11R0.180 CC=CC(=O)NCCC(C)(C)F 1626a_100016253952_100000210699 [0,2,0,0,0,0|1,0,1]=4 6536 B11R0.180 CC=CC(=O)NCCC(C)(C)F 240690a_100016253952_100000210699 [0,2,0,0,0,0|1,0,1]=4 6537 B11R0.180 CC=CC(=O)NCCC(C)(C)O 1626a_100000707701_100000210699 [0,2,0,0,0,0|1,0,1]=4 6538 B11R0.180 CCCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000210303 [0,2,0,0,0,0|2,0,0]=4 6539 B11R0.180 CCCC(=O)CCC[N+](C)(C)C 1458a_100000211992_100016990835 [0,2,0,0,0,0|2,0,0]=4 6540 B11R0.180 CCCC(=O)CCC[Si](C)(C)C 1458a_100000211992_100011219597 [0,2,0,0,0,0|1,1,0]=4 6541 B11R0.180 CCCC(=O)CNCC(C)(C)C 2230a_100000743828_100000747444 [0,2,0,0,0,0|2,0,0]=4 6542 B11R0.180 CCCC(=O)CNCC(C)(C)F 2230a_100020643315_100000747444 [0,2,0,0,0,0|2,0,0]=4 6543 B11R0.180 CCCC(=O)CNCC(C)(C)O 2230a_100000751335_100000747444 [0,2,0,0,0,0|2,0,0]=4 6544 B11R0.180 CCCC(=O)CSCC(C)(C)C 62a_100000747444_100011219605 [0,2,0,0,0,0|2,0,0]=4 6545 B11R0.180 CCCC(=O)CSCC(C)(C)C 62a_100011219605_100000747444 [0,2,0,0,0,0|2,0,0]=4 6546 B11R0.180 CCCC(=O)CSCC(C)(C)F 62a_100000747444_100011997219 [0,2,0,0,0,0|2,0,0]=4 6547 B11R0.180 CCCC(=O)CSCC(C)(C)F 62a_100011997219_100000747444 [0,2,0,0,0,0|2,0,0]=4 6548 B11R0.180 CCCC(=O)CSCC(C)(C)O 62a_100000747444_100000764493 [0,2,0,0,0,0|2,0,0]=4 6549 B11R0.180 CCCC(=O)CSCC(C)(C)O 62a_100000764493_100000747444 [0,2,0,0,0,0|2,0,0]=4 6550 B11R0.180 CCCC(=O)NCCC(C)(C)C 11a_100000738805_100000211992 [0,2,0,0,0,0|1,0,0]=3 6551 B11R0.180 CCCC(=O)NCCC(C)(C)C 1626a_100000738805_100000211992 [0,2,0,0,0,0|1,0,0]=3 6552 B11R0.180 CCCC(=O)NCCC(C)(C)C 240690a_100000738805_100000211992 [0,2,0,0,0,0|1,0,0]=3 6553 B11R0.180 CCCC(=O)NCCC(C)(C)C 527a_100000738805_100000211992 [0,2,0,0,0,0|1,0,0]=3 6554 B11R0.180 CCCC(=O)NCCC(C)(C)F 11a_100016253952_100000211992 [0,2,0,0,0,0|1,0,0]=3 6555 B11R0.180 CCCC(=O)NCCC(C)(C)F 1626a_100016253952_100000211992 [0,2,0,0,0,0|1,0,0]=3 6556 B11R0.180 CCCC(=O)NCCC(C)(C)F 240690a_100016253952_100000211992 [0,2,0,0,0,0|1,0,0]=3 6557 B11R0.180 CCCC(=O)NCCC(C)(C)F 527a_100016253952_100000211992 [0,2,0,0,0,0|1,0,0]=3 6558 B11R0.180 CCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000211992 [0,2,0,0,0,0|1,0,0]=3 6559 B11R0.180 CCCC(=O)NCCC(C)(C)O 527a_100000707701_100000211992 [0,2,0,0,0,0|1,0,0]=3 6560 B11R0.180 CCCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000211992 [0,2,0,0,0,0|2,0,0]=4 6561 B11R0.180 CCCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000211992 [0,2,0,0,0,0|2,0,0]=4 6562 B11R0.180 CCCC(=O)NCC[N+](C)(C)C 527a_100000106457_100000211992 [0,2,0,0,0,0|2,0,0]=4 6563 B11R0.180 CCCC(=O)OCNC(C)(C)C 2230a_100000715429_100000034017 [0,2,0,0,0,0|1,0,0]=3 6564 B11R0.180 CCCC(=O)OCOC(C)(C)C 34a_100015890283_100000034017 [0,2,0,0,0,0|1,0,0]=3 6565 B11R0.180 CCCC(=O)OCSC(C)(C)C 62a_100000211941_100000034017 [0,2,0,0,0,0|1,0,0]=3 6566 B11R0.180 CCCC(C)OCCC(C)(C)C 34a_100000764384_100000755188 [0,2,0,0,0,0|1,0,1]=4 6567 B11R0.180 CCCC(C)OCCC(C)(C)C 7a_100000764384_100000755188 [0,2,0,0,0,0|1,0,1]=4 6568 B11R0.180 CCCC(C)OCCC(C)(C)C 7a_100000765024_100000766640 [0,2,0,0,0,0|1,0,1]=4 6569 B11R0.180 CCCC(C)OCCC(C)(C)O 34a_100000764384_100000702414 [0,2,0,0,0,0|1,0,1]=4 6570 B11R0.180 CCCC(C)OCCC(C)(C)O 7a_100000764384_100000702414 [0,2,0,0,0,0|1,0,1]=4 6571 B11R0.180 CCNC(=O)CCC[N+](C)(C)C 11a_100015525214_100000085584 [0,2,0,0,0,0|2,0,0]=4 6572 B11R0.180 CCNC(=O)CCC[N+](C)(C)C 240690a_100015525214_100000085584 [0,2,0,0,0,0|2,0,0]=4 6573 B11R0.180 CCNC(=O)CCC[N+](C)(C)C 527a_100015525214_100000085584 [0,2,0,0,0,0|2,0,0]=4 6574 B11R0.180 CCNC(=O)CCNC(C)(C)C 2230a_100000715429_100000737597 [0,2,0,0,0,0|2,0,0]=4 6575 B11R0.180 CCNC(=O)CCNC(C)(C)C 34a_100025743525_100000210625 [0,2,0,0,0,0|2,0,0]=4 6576 B11R0.180 CCNC(=O)CCOC(C)(C)C 7a_100015890283_100000737597 [0,2,0,0,0,0|2,0,0]=4 6577 B11R0.180 CCNC(=O)CCSC(C)(C)C 62a_100000211941_100000737597 [0,2,0,0,0,0|2,0,0]=4 6578 B11R0.180 CCNC(=O)CCSC(C)(C)C 62a_100000737597_100000211941 [0,2,0,0,0,0|2,0,0]=4 6579 B11R0.180 CCNC(=O)CNCC(C)(C)C 2230a_100000743828_100000183381 [0,2,0,0,0,0|2,0,0]=4 6580 B11R0.180 CCNC(=O)CNCC(C)(C)C 270004a_100016988866_100011204126 [0,2,0,0,0,0|2,0,0]=4 6581 B11R0.180 CCNC(=O)CNCC(C)(C)F 2230a_100020643315_100000183381 [0,2,0,0,0,0|2,0,0]=4 6582 B11R0.180 CCNC(=O)CNCC(C)(C)O 2230a_100000751335_100000183381 [0,2,0,0,0,0|2,0,0]=4 6583 B11R0.180 CCNC(=O)COCC(C)(C)F 34a_100000716592_100000183381 [0,2,0,0,0,0|2,0,0]=4 6584 B11R0.180 CCNC(=O)CSCC(C)(C)C 62a_100000183381_100011219605 [0,2,0,0,0,0|2,0,0]=4 6585 B11R0.180 CCNC(=O)CSCC(C)(C)C 62a_100011219605_100000183381 [0,2,0,0,0,0|2,0,0]=4 6586 B11R0.180 CCNC(=O)CSCC(C)(C)F 62a_100000183381_100011997219 [0,2,0,0,0,0|2,0,0]=4 6587 B11R0.180 CCNC(=O)CSCC(C)(C)F 62a_100011997219_100000183381 [0,2,0,0,0,0|2,0,0]=4 6588 B11R0.180 CCNC(=O)CSCC(C)(C)O 62a_100000183381_100000764493 [0,2,0,0,0,0|2,0,0]=4 6589 B11R0.180 CCNC(=O)CSCC(C)(C)O 62a_100000764493_100000183381 [0,2,0,0,0,0|2,0,0]=4 6590 B11R0.180 CCNC(=O)NCCC(C)(C)C 2708a_100000738805_100015525214 [0,2,0,0,0,0|1,0,0]=3 6591 B11R0.180 CCNC(=O)NCCC(C)(C)C 2708a_100015525214_100000738805 [0,2,0,0,0,0|1,0,0]=3 6592 B11R0.180 CCNC(=O)NCCC(C)(C)C 273464a_100000738805_100015525214 [0,2,0,0,0,0|1,0,0]=3 6593 B11R0.180 CCNC(=O)NCCC(C)(C)C 273464a_100015525214_100000738805 [0,2,0,0,0,0|1,0,0]=3 6594 B11R0.180 CCNC(=O)NCCC(C)(C)C 512a_100000738805_100015525214 [0,2,0,0,0,0|1,0,0]=3 6595 B11R0.180 CCNC(=O)NCCC(C)(C)C 512a_100015525214_100000738805 [0,2,0,0,0,0|1,0,0]=3 6596 B11R0.180 CCNC(=O)NCCC(C)(C)F 2708a_100015525214_100016253952 [0,2,0,0,0,0|1,0,0]=3 6597 B11R0.180 CCNC(=O)NCCC(C)(C)F 2708a_100016253952_100015525214 [0,2,0,0,0,0|1,0,0]=3 6598 B11R0.180 CCNC(=O)NCCC(C)(C)F 273464a_100015525214_100016253952 [0,2,0,0,0,0|1,0,0]=3 6599 B11R0.180 CCNC(=O)NCCC(C)(C)F 273464a_100016253952_100015525214 [0,2,0,0,0,0|1,0,0]=3 6600 B11R0.180 CCNC(=O)NCCC(C)(C)F 512a_100015525214_100016253952 [0,2,0,0,0,0|1,0,0]=3 6601 B11R0.180 CCNC(=O)NCCC(C)(C)F 512a_100016253952_100015525214 [0,2,0,0,0,0|1,0,0]=3 6602 B11R0.180 CCNC(=O)NCCC(C)(C)O 2708a_100000707701_100015525214 [0,2,0,0,0,0|1,0,0]=3 6603 B11R0.180 CCNC(=O)NCCC(C)(C)O 2708a_100015525214_100000707701 [0,2,0,0,0,0|1,0,0]=3 6604 B11R0.180 CCNC(=O)NCCC(C)(C)O 273464a_100000707701_100015525214 [0,2,0,0,0,0|1,0,0]=3 6605 B11R0.180 CCNC(=O)NCCC(C)(C)O 273464a_100015525214_100000707701 [0,2,0,0,0,0|1,0,0]=3 6606 B11R0.180 CCNC(=O)NCCC(C)(C)O 512a_100000707701_100015525214 [0,2,0,0,0,0|1,0,0]=3 6607 B11R0.180 CCNC(=O)NCCC(C)(C)O 512a_100015525214_100000707701 [0,2,0,0,0,0|1,0,0]=3 6608 B11R0.180 CCNC(=O)NCC[N+](C)(C)C 2708a_100015525214_100000106457 [0,2,0,0,0,0|2,0,0]=4 6609 B11R0.180 CCNC(=O)NCC[N+](C)(C)C 273464a_100000106457_100015525214 [0,2,0,0,0,0|2,0,0]=4 6610 B11R0.180 CCNC(=O)NCC[N+](C)(C)C 273464a_100015525214_100000106457 [0,2,0,0,0,0|2,0,0]=4 6611 B11R0.180 CCNC(=O)NCC[N+](C)(C)C 512a_100000106457_100015525214 [0,2,0,0,0,0|2,0,0]=4 6612 B11R0.180 CCNC(=O)NCC[N+](C)(C)C 512a_100015525214_100000106457 [0,2,0,0,0,0|2,0,0]=4 6613 B11R0.180 CCOC(=O)CCNC(C)(C)C 2230a_100000715429_100011206558 [0,2,0,0,0,0|2,0,0]=4 6614 B11R0.180 CCOC(=O)CCOC(C)(C)C 34a_100015890283_100000765890 [0,2,0,0,0,0|2,0,0]=4 6615 B11R0.180 CCOC(=O)CCOC(C)(C)C 7a_100015890283_100011206558 [0,2,0,0,0,0|2,0,0]=4 6616 B11R0.180 CCOC(=O)CCSC(C)(C)C 62a_100000211941_100000765890 [0,2,0,0,0,0|2,0,0]=4 6617 B11R0.180 CCOC(=O)CCSC(C)(C)C 62a_100000765890_100000211941 [0,2,0,0,0,0|2,0,0]=4 6618 B11R0.180 CCOC(=O)CNCC(C)(C)C 2230a_100000743828_100000188475 [0,2,0,0,0,0|2,0,0]=4 6619 B11R0.180 CCOC(=O)CNCC(C)(C)F 2230a_100020643315_100000188475 [0,2,0,0,0,0|2,0,0]=4 6620 B11R0.180 CCOC(=O)CNCC(C)(C)O 2230a_100000751335_100000188475 [0,2,0,0,0,0|2,0,0]=4 6621 B11R0.180 CCOC(=O)COCC(C)(C)F 34a_100000716592_100000188475 [0,2,0,0,0,0|2,0,0]=4 6622 B11R0.180 CCOC(=O)CSCC(C)(C)C 62a_100000188475_100011219605 [0,2,0,0,0,0|2,0,0]=4 6623 B11R0.180 CCOC(=O)CSCC(C)(C)C 62a_100011219605_100000188475 [0,2,0,0,0,0|2,0,0]=4 6624 B11R0.180 CCOC(=O)CSCC(C)(C)F 62a_100000188475_100011997219 [0,2,0,0,0,0|2,0,0]=4 6625 B11R0.180 CCOC(=O)CSCC(C)(C)F 62a_100011997219_100000188475 [0,2,0,0,0,0|2,0,0]=4 6626 B11R0.180 CCOC(=O)CSCC(C)(C)O 62a_100000188475_100000764493 [0,2,0,0,0,0|2,0,0]=4 6627 B11R0.180 CCOC(=O)CSCC(C)(C)O 62a_100000764493_100000188475 [0,2,0,0,0,0|2,0,0]=4 6628 B11R0.180 CCOC(=O)OCSC(C)(C)C 62a_100000211941_100000075025 [0,2,0,0,0,0|1,0,0]=3 6629 B11R0.180 CNNC(=O)NCCC(C)(C)C 273464a_100000738805_100016993582 [0,2,0,0,0,0|2,0,0]=4 6630 B11R0.180 CNNC(=O)NCCC(C)(C)C 512a_100000738805_100016993582 [0,2,0,0,0,0|2,0,0]=4 6631 B11R0.180 CNNC(=O)NCCC(C)(C)C 512a_100016993582_100000738805 [0,2,0,0,0,0|2,0,0]=4 6632 B11R0.180 CNNC(=O)NCCC(C)(C)F 273464a_100016253952_100016993582 [0,2,0,0,0,0|2,0,0]=4 6633 B11R0.180 CNNC(=O)NCCC(C)(C)F 512a_100016253952_100016993582 [0,2,0,0,0,0|2,0,0]=4 6634 B11R0.180 CNNC(=O)NCCC(C)(C)F 512a_100016993582_100016253952 [0,2,0,0,0,0|2,0,0]=4 6635 B11R0.180 CNNC(=O)NCCC(C)(C)O 273464a_100000707701_100016993582 [0,2,0,0,0,0|2,0,0]=4 6636 B11R0.180 CNNC(=O)NCCC(C)(C)O 512a_100000707701_100016993582 [0,2,0,0,0,0|2,0,0]=4 6637 B11R0.180 CNNC(=O)NCCC(C)(C)O 512a_100016993582_100000707701 [0,2,0,0,0,0|2,0,0]=4 6638 B11R0.180 COCC(=O)CCC[N+](C)(C)C 1458a_100000210968_100016990835 [0,2,0,0,0,0|2,0,0]=4 6639 B11R0.180 COCC(=O)CCC[Si](C)(C)C 1458a_100000210968_100011219597 [0,2,0,0,0,0|1,1,0]=4 6640 B11R0.180 COCC(=O)NCCC(C)(C)C 11a_100000738805_100000210968 [0,2,0,0,0,0|1,0,0]=3 6641 B11R0.180 COCC(=O)NCCC(C)(C)C 1626a_100000738805_100000210968 [0,2,0,0,0,0|1,0,0]=3 6642 B11R0.180 COCC(=O)NCCC(C)(C)C 240690a_100000738805_100000210968 [0,2,0,0,0,0|1,0,0]=3 6643 B11R0.180 COCC(=O)NCCC(C)(C)C 527a_100000738805_100000210968 [0,2,0,0,0,0|1,0,0]=3 6644 B11R0.180 COCC(=O)NCCC(C)(C)F 11a_100016253952_100000210968 [0,2,0,0,0,0|1,0,0]=3 6645 B11R0.180 COCC(=O)NCCC(C)(C)F 1626a_100016253952_100000210968 [0,2,0,0,0,0|1,0,0]=3 6646 B11R0.180 COCC(=O)NCCC(C)(C)F 240690a_100016253952_100000210968 [0,2,0,0,0,0|1,0,0]=3 6647 B11R0.180 COCC(=O)NCCC(C)(C)F 527a_100016253952_100000210968 [0,2,0,0,0,0|1,0,0]=3 6648 B11R0.180 COCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210968 [0,2,0,0,0,0|1,0,0]=3 6649 B11R0.180 COCC(=O)NCCC(C)(C)O 527a_100000707701_100000210968 [0,2,0,0,0,0|1,0,0]=3 6650 B11R0.180 COCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000210968 [0,2,0,0,0,0|2,0,0]=4 6651 B11R0.180 COCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000210968 [0,2,0,0,0,0|2,0,0]=4 6652 B11R0.180 COCC(=O)NCC[N+](C)(C)C 527a_100000106457_100000210968 [0,2,0,0,0,0|2,0,0]=4 6653 B11R0.180 COCC(C)OCCC(C)(C)C 7a_100000765024_100000765312 [0,2,0,0,0,0|1,0,1]=4 6654 B11R0.180 COC[C@@H](C)OCCC(C)(C)C 34a_100011934205_100000755188 [0,2,0,0,0,0|1,0,1]=4 6655 B11R0.180 COC[C@@H](C)OCCC(C)(C)O 34a_100011934205_100000702414 [0,2,0,0,0,0|1,0,1]=4 6656 B11R0.180 CSCC(=O)CCC[N+](C)(C)C 1458a_100000184570_100016990835 [0,2,0,0,0,0|2,0,0]=4 6657 B11R0.180 CSCC(=O)CCC[Si](C)(C)C 1458a_100000184570_100011219597 [0,2,0,0,0,0|1,1,0]=4 6658 B11R0.180 CSCC(=O)NCCC(C)(C)C 11a_100000738805_100000184570 [0,2,0,0,0,0|1,0,0]=3 6659 B11R0.180 CSCC(=O)NCCC(C)(C)C 1626a_100000738805_100000184570 [0,2,0,0,0,0|1,0,0]=3 6660 B11R0.180 CSCC(=O)NCCC(C)(C)C 240690a_100000738805_100000184570 [0,2,0,0,0,0|1,0,0]=3 6661 B11R0.180 CSCC(=O)NCCC(C)(C)C 527a_100000738805_100000184570 [0,2,0,0,0,0|1,0,0]=3 6662 B11R0.180 CSCC(=O)NCCC(C)(C)F 11a_100016253952_100000184570 [0,2,0,0,0,0|1,0,0]=3 6663 B11R0.180 CSCC(=O)NCCC(C)(C)F 1626a_100016253952_100000184570 [0,2,0,0,0,0|1,0,0]=3 6664 B11R0.180 CSCC(=O)NCCC(C)(C)F 240690a_100016253952_100000184570 [0,2,0,0,0,0|1,0,0]=3 6665 B11R0.180 CSCC(=O)NCCC(C)(C)F 527a_100016253952_100000184570 [0,2,0,0,0,0|1,0,0]=3 6666 B11R0.180 CSCC(=O)NCCC(C)(C)O 1626a_100000707701_100000184570 [0,2,0,0,0,0|1,0,0]=3 6667 B11R0.180 CSCC(=O)NCCC(C)(C)O 527a_100000707701_100000184570 [0,2,0,0,0,0|1,0,0]=3 6668 B11R0.180 CSCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000184570 [0,2,0,0,0,0|2,0,0]=4 6669 B11R0.180 CSCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000184570 [0,2,0,0,0,0|2,0,0]=4 6670 B11R0.180 CSCC(=O)NCC[N+](C)(C)C 527a_100000106457_100000184570 [0,2,0,0,0,0|2,0,0]=4 6671 B11R0.180 C[N+](C)(C)CCCC(=O)CCF 1458a_100000085584_100011217306 [0,2,0,0,0,0|2,0,0]=4 6672 B11R0.180 C[N+](C)(C)CCCC(=O)CCO 1458a_100000085584_100000211926 [0,2,0,0,0,0|2,0,0]=4 6673 B11R0.180 C[N+](C)(C)CCCC(=O)CCO 1458a_100011216618_100016990835 [0,2,0,0,0,0|2,0,0]=4 6674 B11R0.180 C[N+](C)(C)CCNC(=O)CCO 240690a_100000106457_100011216618 [0,2,0,0,0,0|2,0,0]=4 6675 B11R0.180 C[Si](C)(C)CCCC(=O)CCO 1458a_100011216618_100011219597 [0,2,0,0,0,0|1,1,0]=4 6676 B11R0.19 C#CC(CC)OC(C)CC(C)C 34a_100000758843_100000731052 [0,2,0,0,0,0|1,0,1]=4 6677 B11R0.19 C#CC(CC)OC(C)CC(C)C 7a_100000758843_100000731052 [0,2,0,0,0,0|1,0,1]=4 6678 B11R0.19 C=CC(CC)OC(C)CC(C)C 34a_100000766422_100000731052 [0,2,0,0,0,0|1,0,1]=4 6679 B11R0.19 C=CC(CC)OC(C)CC(C)C 7a_100000766422_100000731052 [0,2,0,0,0,0|1,0,1]=4 6680 B11R0.19 CCC(CC)OC(C)CC(C)C 7a_100000211805_100000210505 [0,2,0,0,0,0|1,0,1]=4 6681 B11R0.19 CCC(CC)OC(C)CC(C)C 7a_100000688536_100000731052 [0,2,0,0,0,0|1,0,1]=4 6682 B11R0.33 C=C(C)C(=O)NC(C)CC(C)C 11a_100000692259_100000185857 [0,2,0,0,0,0|1,0,1]=4 6683 B11R0.33 C=C(C)C(=O)NC(C)CC(C)C 1626a_100000692259_100000185857 [0,2,0,0,0,0|1,0,1]=4 6684 B11R0.33 CC(C)CC(=O)CC(=O)C(C)C 1458a_100000210554_100000753385 [0,2,0,0,0,0|1,0,1]=4 6685 B11R0.33 CC(C)CC(C)NC(=O)C(C)C 11a_100000692259_100000210198 [0,2,0,0,0,0|1,0,0]=3 6686 B11R0.33 CC(C)CC(C)NC(=O)C(C)C 1626a_100000692259_100000210198 [0,2,0,0,0,0|1,0,0]=3 6687 B11R0.33 CC(C)CC(C)NC(=O)C(C)C 240690a_100000692259_100000210198 [0,2,0,0,0,0|1,0,0]=3 6688 B11R0.33 CC(C)CC(C)NC(=O)C(C)C 527a_100000692259_100000210198 [0,2,0,0,0,0|1,0,0]=3 6689 B11R0.33 CC(C)CC(C)NC(=O)C(C)F 11a_100000692259_100000062450 [0,2,0,0,0,0|1,0,0]=3 6690 B11R0.33 CC(C)CC(C)NC(=O)C(C)F 1626a_100000692259_100000062450 [0,2,0,0,0,0|1,0,0]=3 6691 B11R0.33 CC(C)CC(C)NC(=O)C(C)F 240690a_100000692259_100000062450 [0,2,0,0,0,0|1,0,0]=3 6692 B11R0.33 CC(C)CC(C)NC(=O)C(C)F 527a_100000692259_100000062450 [0,2,0,0,0,0|1,0,0]=3 6693 B11R0.33 CC(C)CC(C)NC(=O)C(F)F 11a_100000692259_100000210393 [0,2,0,0,0,0|2,0,0]=4 6694 B11R0.33 CC(C)CC(C)NC(=O)C(F)F 1626a_100000692259_100000210393 [0,2,0,0,0,0|2,0,0]=4 6695 B11R0.33 CC(C)CC(C)NC(=O)C(F)F 240690a_100000692259_100000210393 [0,2,0,0,0,0|2,0,0]=4 6696 B11R0.33 CC(C)CC(C)NC(=O)C(F)F 527a_100000692259_100000210393 [0,2,0,0,0,0|2,0,0]=4 6697 B11R0.33 CC(C)CC(C)NC(=O)C(O)O 240690a_100000692259_100000233687 [0,2,0,0,0,0|2,0,0]=4 6698 B11R0.33 CC(C)CC(C)NC(=O)N(C)C 2708a_100000692259_100102631434 [0,2,0,0,0,0|2,0,0]=4 6699 B11R0.33 CC(C)CC(C)NC(=O)[C@@H](C)O 240690a_100000692259_100000717761 [0,2,0,0,0,0|1,0,0]=3 6700 B11R0.33 CC(C)CC(C)NC(=O)[C@H](C)O 1626a_100000692259_217856618621 [0,2,0,0,0,0|1,0,0]=3 6701 B11R0.33 CC(C)CC(C)NC(=O)[C@H](C)O 240690a_100000692259_217856618621 [0,2,0,0,0,0|1,0,0]=3 6702 B11R0.33 CC(C)CC(C)OC(C)C(C)C 7a_100000748068_100000731052 [0,2,0,0,0,0|1,0,1]=4 6703 B11R0.33 CC(C)CN(C)CC(=O)C(C)C 2230a_100000747067_100000753385 [0,2,0,0,0,0|2,0,0]=4 6704 B11R0.33 CC(C)CN(C)CC(=O)C(C)C 269982a_100000747067_100000753385 [0,2,0,0,0,0|2,0,0]=4 6705 B11R0.33 CC(CN(C)C)NC(=O)C(C)C 11a_100016992788_100000210198 [0,2,0,0,0,0|2,0,0]=4 6706 B11R0.33 CC(CN(C)C)NC(=O)C(C)C 240690a_100016992788_100000210198 [0,2,0,0,0,0|2,0,0]=4 6707 B11R0.33 CC(CN(C)C)NC(=O)C(C)C 527a_100016992788_100000210198 [0,2,0,0,0,0|2,0,0]=4 6708 B11R0.33 CC(CN(C)C)NC(=O)C(C)F 11a_100016992788_100000062450 [0,2,0,0,0,0|2,0,0]=4 6709 B11R0.33 CC(CN(C)C)NC(=O)C(C)F 240690a_100016992788_100000062450 [0,2,0,0,0,0|2,0,0]=4 6710 B11R0.33 CC(CN(C)C)NC(=O)C(C)F 527a_100016992788_100000062450 [0,2,0,0,0,0|2,0,0]=4 6711 B11R0.33 CC(CN(C)C)NC(=O)[C@@H](C)O 240690a_100016992788_100000717761 [0,2,0,0,0,0|2,0,0]=4 6712 B11R0.33 CC(CN(C)C)NC(=O)[C@H](C)O 240690a_100016992788_217856618621 [0,2,0,0,0,0|2,0,0]=4 6713 B11R0.63 CC(C)CC(C)N(C)C(=O)CO 240690a_100000745462_100000210174 [0,2,0,0,0,0|2,0,0]=4 6714 B11R0.63 CC(C)CC(C)N(C)C(=O)CO 527a_100000745462_100000210174 [0,2,0,0,0,0|2,0,0]=4 6715 B11R0.63 CCC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100000742827 [0,2,0,0,0,0|1,0,1]=4 6716 B11R0.63 CCC(=O)C(C)N(C)CC(C)C 2230a_100000747067_100000742827 [0,2,0,0,0,0|2,0,0]=4 6717 B11R0.63 CCC(=O)C(C)N(C)CC(C)C 269982a_100000747067_100000742827 [0,2,0,0,0,0|2,0,0]=4 6718 B11R0.63 CCC(=O)N(C)C(C)CC(C)C 11a_100000745462_100000210414 [0,2,0,0,0,0|1,0,0]=3 6719 B11R0.63 CCC(=O)N(C)C(C)CC(C)C 1626a_100000745462_100000210414 [0,2,0,0,0,0|1,0,0]=3 6720 B11R0.63 CCC(=O)N(C)C(C)CC(C)C 240690a_100000745462_100000210414 [0,2,0,0,0,0|1,0,0]=3 6721 B11R0.63 CCC(=O)N(C)C(C)CC(C)C 527a_100000745462_100000210414 [0,2,0,0,0,0|1,0,0]=3 6722 B11R0.63 CNC(=O)C(=O)C(C)CC(C)C 1458a_100011218921_100000731052 [0,2,0,0,0,0|2,0,0]=4 6723 B11R0.63 CNC(=O)N(C)C(C)CC(C)C 2708a_100102657272_100000745462 [0,2,0,0,0,0|2,0,0]=4 6724 B11R0.91 C#CC(CC(C)C)OC(C)CC 34a_100011215986_100011215416 [0,2,0,0,0,0|1,0,1]=4 6725 B11R0.91 C#CC(CC(C)C)OC(C)CC 7a_100011215986_100000758301 [0,2,0,0,0,0|1,0,1]=4 6726 B11R0.91 C=CC(CC(C)C)OC(C)CC 34a_100012186643_100011215416 [0,2,0,0,0,0|1,0,1]=4 6727 B11R0.91 C=CC(CC(C)C)OC(C)CC 7a_100012186643_100000758301 [0,2,0,0,0,0|1,0,1]=4 6728 B11R0.91 CC(C)CC(C#N)NC(=O)CO 240690a_100000741378_100000210174 [0,2,0,0,0,0|2,0,0]=4 6729 B11R0.91 CC(C)CC(C#N)NC(=O)CO 527a_100000741378_100000210174 [0,2,0,0,0,0|2,0,0]=4 6730 B11R0.91 CC(C)C[C@@H](CO)NC(=O)CO 240690a_100011830311_100000210174 [0,2,0,0,0,0|2,0,0]=4 6731 B11R0.91 CC(C)C[C@@H](CO)NC(=O)CO 527a_100011830311_100000210174 [0,2,0,0,0,0|2,0,0]=4 6732 B11R0.91 CCC(=O)CN(CC)CC(C)C 269982a_100000738554_100000747405 [0,2,0,0,0,0|2,0,0]=4 6733 B11R0.91 CCC(=O)NC(C#N)CC(C)C 11a_100000741378_100000210414 [0,2,0,0,0,0|1,0,0]=3 6734 B11R0.91 CCC(=O)NC(C#N)CC(C)C 1626a_100000741378_100000210414 [0,2,0,0,0,0|1,0,0]=3 6735 B11R0.91 CCC(=O)NC(C#N)CC(C)C 240690a_100000741378_100000210414 [0,2,0,0,0,0|1,0,0]=3 6736 B11R0.91 CCC(=O)NC(C#N)CC(C)C 527a_100000741378_100000210414 [0,2,0,0,0,0|1,0,0]=3 6737 B11R0.91 CCC(=O)N[C@H](CO)CC(C)C 240690a_100011830311_100000210414 [0,2,0,0,0,0|1,0,0]=3 6738 B11R0.91 CCC(=O)N[C@H](CO)CC(C)C 527a_100011830311_100000210414 [0,2,0,0,0,0|1,0,0]=3 6739 B11R0.91 CCC(C)OC(C#N)CC(C)C 34a_200011294978_100011215416 [0,2,0,0,0,0|1,0,1]=4 6740 B11R0.91 CCC(C)OC(C#N)CC(C)C 7a_200011294978_100000758301 [0,2,0,0,0,0|1,0,1]=4 6741 B11R0.91 CNC(=O)NC(C#N)CC(C)C 2708a_100000741378_106832991635 [0,2,0,0,0,0|2,0,0]=4 6742 B11R0.91 CNC(=O)NC(C#N)CC(C)C 2708a_100102657272_100000741378 [0,2,0,0,0,0|2,0,0]=4 6743 B11R0.91 CNC(=O)NC(C#N)CC(C)C 273464a_100000741378_100102657272 [0,2,0,0,0,0|2,0,0]=4 6744 B11R0.91 CNC(=O)NC(C#N)CC(C)C 273464a_100102657272_100000741378 [0,2,0,0,0,0|2,0,0]=4 6745 B11R0.91 CNC(=O)NC(C#N)CC(C)C 512a_100000741378_100102657272 [0,2,0,0,0,0|2,0,0]=4 6746 B11R0.91 CNC(=O)NC(C#N)CC(C)C 512a_106832991638_100000741378 [0,2,0,0,0,0|2,0,0]=4 6747 B11R0.91 CNC(=O)N[C@H](CO)CC(C)C 2708a_100102657272_100011830311 [0,2,0,0,0,0|2,0,0]=4 6748 B11R0.91 CNC(=O)N[C@H](CO)CC(C)C 273464a_100011830311_100102657272 [0,2,0,0,0,0|2,0,0]=4 6749 B11R0.91 CNC(=O)N[C@H](CO)CC(C)C 273464a_100102657272_100011830311 [0,2,0,0,0,0|2,0,0]=4 6750 B11R0.91 CNC(=O)N[C@H](CO)CC(C)C 512a_100011830311_100102657272 [0,2,0,0,0,0|2,0,0]=4 6751 B11R0.91 CNC(=O)N[C@H](CO)CC(C)C 512a_106832991638_100011830311 [0,2,0,0,0,0|2,0,0]=4 6752 B11R0.92 CCC(=O)CC(=O)C(C)C(C)C 1458a_100000755409_100000747405 [0,2,0,0,0,0|1,0,1]=4 6753 B11R0.92 CCC(=O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000747405 [0,2,0,0,0,0|1,0,1]=4 6754 B11R0.92 CCC(=O)CN(C)C(C)C(C)C 269982a_100000228512_100000747405 [0,2,0,0,0,0|2,0,0]=4 6755 B11R0.92 CCC(=O)NC(C)C(=O)C(C)C 1458a_100000194823_100000210206 [0,2,0,0,0,0|1,0,1]=4 6756 B11R0.110 CCC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000747405 [0,2,0,0,0,0|1,0,1]=4 6757 B11R0.110 CCC(=O)CN(C)CC(C)CC 269982a_100000753921_100000747405 [0,2,0,0,0,0|2,0,0]=4 6758 B11R0.110 CCC(=O)NC(C)CC(C)CC 11a_100000763565_100000210414 [0,2,0,0,0,0|1,0,0]=3 6759 B11R0.110 CCC(=O)NC(C)CC(C)CC 1626a_100000763565_100000210414 [0,2,0,0,0,0|1,0,0]=3 6760 B11R0.110 CCC(=O)NC(C)CC(C)CC 240690a_100000763565_100000210414 [0,2,0,0,0,0|1,0,0]=3 6761 B11R0.110 CCC(=O)NC(C)CC(C)CC 527a_100000763565_100000210414 [0,2,0,0,0,0|1,0,0]=3 6762 B11R0.110 CCC(C)CC(C)NC(=O)CO 240690a_100000763565_100000210174 [0,2,0,0,0,0|2,0,0]=4 6763 B11R0.110 CCC(C)CC(C)NC(=O)CO 527a_100000763565_100000210174 [0,2,0,0,0,0|2,0,0]=4 6764 B11R0.110 CCC(C)CC(C)NC(=O)NC 2708a_100000763565_106832991635 [0,2,0,0,0,0|2,0,0]=4 6765 B11R0.110 CCC(C)CC(C)NC(=O)NC 2708a_100102657272_100000763565 [0,2,0,0,0,0|2,0,0]=4 6766 B11R0.110 CCC(C)CC(C)NC(=O)NC 273464a_100000763565_100102657272 [0,2,0,0,0,0|2,0,0]=4 6767 B11R0.110 CCC(C)CC(C)NC(=O)NC 273464a_100102657272_100000763565 [0,2,0,0,0,0|2,0,0]=4 6768 B11R0.110 CCC(C)CC(C)NC(=O)NC 512a_100000763565_100102657272 [0,2,0,0,0,0|2,0,0]=4 6769 B11R0.110 CCC(C)CC(C)NC(=O)NC 512a_106832991638_100000763565 [0,2,0,0,0,0|2,0,0]=4 6770 B11R0.119 CC(CC(=O)CF)CC(C)(C)C 1458a_100000239893_100015361967 [0,2,0,0,0,0|2,0,0]=4 6771 B11R0.119 CCC(=O)CC(=O)CC(C)(C)C 1458a_100000211214_100000747405 [0,2,0,0,0,0|1,0,1]=4 6772 B11R0.119 CCC(=O)CC(=O)CC(C)(C)O 1458a_100000693243_100000747405 [0,2,0,0,0,0|1,0,1]=4 6773 B11R0.119 CCC(=O)CC(C)CC(C)(C)C 1458a_100000239893_100000210202 [0,2,0,0,0,0|1,0,0]=3 6774 B11R0.119 CCC(=O)CC(O)C[N+](C)(C)C 1458a_100000210414_100000032816 [0,2,0,0,0,0|2,0,0]=4 6775 B11R0.119 CCC(=O)CN(C)CC(C)(C)C 269982a_100000742839_100000747405 [0,2,0,0,0,0|2,0,0]=4 6776 B11R0.119 CCC(=O)CN(C)CC(C)(C)O 269982a_100000755907_100000747405 [0,2,0,0,0,0|2,0,0]=4 6777 B11R0.119 CCC(=O)C[C@@H](O)C[N+](C)(C)C 1458a_100000004043_100000210202 [0,2,0,0,0,0|2,0,0]=4 6778 B11R0.119 CCC(=O)N[C@@H](C)CC(C)(C)C 11a_106358413534_100000210414 [0,2,0,0,0,0|1,0,0]=3 6779 B11R0.119 CCC(=O)N[C@@H](C)CC(C)(C)C 1626a_106358413534_100000210414 [0,2,0,0,0,0|1,0,0]=3 6780 B11R0.119 CCC(=O)N[C@@H](C)CC(C)(C)C 240690a_106358413534_100000210414 [0,2,0,0,0,0|1,0,0]=3 6781 B11R0.119 CCC(=O)N[C@@H](C)CC(C)(C)C 527a_106358413534_100000210414 [0,2,0,0,0,0|1,0,0]=3 6782 B11R0.119 CCC(C)OC(C)CC(C)(C)C 7a_200011218616_100000758301 [0,2,0,0,0,0|1,0,1]=4 6783 B11R0.119 CNC(=O)CC(C)CC(C)(C)C 11a_106832991635_100000239893 [0,2,0,0,0,0|2,0,0]=4 6784 B11R0.119 CNC(=O)CC(C)CC(C)(C)C 1626a_100102657272_100000239893 [0,2,0,0,0,0|2,0,0]=4 6785 B11R0.119 CNC(=O)CC(C)CC(C)(C)C 240690a_100102657272_100000239893 [0,2,0,0,0,0|2,0,0]=4 6786 B11R0.119 CNC(=O)CC(C)CC(C)(C)C 527a_100102657272_100000239893 [0,2,0,0,0,0|2,0,0]=4 6787 B11R0.119 CNC(=O)N[C@@H](C)CC(C)(C)C 2708a_100102657272_106358413534 [0,2,0,0,0,0|2,0,0]=4 6788 B11R0.119 CNC(=O)N[C@@H](C)CC(C)(C)C 2708a_106358413534_106832991635 [0,2,0,0,0,0|2,0,0]=4 6789 B11R0.119 CNC(=O)N[C@@H](C)CC(C)(C)C 273464a_100102657272_106358413534 [0,2,0,0,0,0|2,0,0]=4 6790 B11R0.119 CNC(=O)N[C@@H](C)CC(C)(C)C 273464a_106358413534_100102657272 [0,2,0,0,0,0|2,0,0]=4 6791 B11R0.119 CNC(=O)N[C@@H](C)CC(C)(C)C 512a_106358413534_100102657272 [0,2,0,0,0,0|2,0,0]=4 6792 B11R0.119 CNC(=O)N[C@@H](C)CC(C)(C)C 512a_106832991638_106358413534 [0,2,0,0,0,0|2,0,0]=4 6793 B11R0.119 C[C@@H](CC(C)(C)C)NC(=O)CO 240690a_106358413534_100000210174 [0,2,0,0,0,0|2,0,0]=4 6794 B11R0.119 C[C@@H](CC(C)(C)C)NC(=O)CO 527a_106358413534_100000210174 [0,2,0,0,0,0|2,0,0]=4 6795 B11R0.255 CC(C)CC(C)(C)NC(=O)CO 240690a_100011346068_100000210174 [0,2,0,0,0,0|2,0,0]=4 6796 B11R0.255 CC(C)CC(C)(C)NC(=O)CO 527a_100011346068_100000210174 [0,2,0,0,0,0|2,0,0]=4 6797 B11R0.255 CCC(=O)CS(=O)(=O)CC(C)C 1458a_200000740652_100000210202 [0,2,0,0,0,0|2,0,0]=4 6798 B11R0.255 CCC(=O)NC(C)(C)CC(C)C 11a_100011346068_100000210414 [0,2,0,0,0,0|1,0,0]=3 6799 B11R0.255 CCC(=O)NC(C)(C)CC(C)C 1626a_100011346068_100000210414 [0,2,0,0,0,0|1,0,0]=3 6800 B11R0.255 CCC(=O)NC(C)(C)CC(C)C 240690a_100011346068_100000210414 [0,2,0,0,0,0|1,0,0]=3 6801 B11R0.255 CCC(=O)NC(C)(C)CC(C)C 527a_100011346068_100000210414 [0,2,0,0,0,0|1,0,0]=3 6802 B11R0.255 CCC(=O)NC(C)(C)CN(C)C 11a_100015183317_100000210414 [0,2,0,0,0,0|2,0,0]=4 6803 B11R0.255 CCC(=O)NC(C)(C)CN(C)C 1626a_100015183317_100000210414 [0,2,0,0,0,0|2,0,0]=4 6804 B11R0.255 CCC(=O)NC(C)(C)CN(C)C 240690a_100015183317_100000210414 [0,2,0,0,0,0|2,0,0]=4 6805 B11R0.255 CCC(=O)NC(C)(C)CN(C)C 527a_100015183317_100000210414 [0,2,0,0,0,0|2,0,0]=4 6806 B11R0.255 CCC(=O)NS(=O)(=O)CC(C)C 2740a_100000748329_100000210414 [0,2,0,0,0,0|2,0,0]=4 6807 B11R0.255 CNC(=O)NC(C)(C)CC(C)C 2708a_100102657272_100011346068 [0,2,0,0,0,0|2,0,0]=4 6808 B11R0.255 CNC(=O)NC(C)(C)CC(C)C 273464a_100011346068_100102657272 [0,2,0,0,0,0|2,0,0]=4 6809 B11R0.255 CNC(=O)NC(C)(C)CC(C)C 273464a_100102657272_100011346068 [0,2,0,0,0,0|2,0,0]=4 6810 B11R0.255 CNC(=O)NC(C)(C)CC(C)C 512a_100011346068_100102657272 [0,2,0,0,0,0|2,0,0]=4 6811 B11R0.255 CNC(=O)NC(C)(C)CC(C)C 512a_106832991638_100011346068 [0,2,0,0,0,0|2,0,0]=4 6812 B11R0.300 CCC(C)(C)OC(C)CC(C)C 7a_100000210230_100000731052 [0,2,0,0,0,0|1,0,1]=4 6813 B11R0.300 CCC(C)(C)OC(C)CC(C)C 7a_100000211805_100000210677 [0,2,0,0,0,0|1,0,1]=4 6814 B11R0.300 CCS(=O)(=O)NC(C)CC(C)C 270084a_100000692259_100000211323 [0,2,0,0,0,0|2,0,0]=4 6815 B11R0.300 CCS(=O)(=O)NC(C)CC(C)C 274078a_100000692259_100000211323 [0,2,0,0,0,0|2,0,0]=4 6816 B11R0.300 CCS(=O)(=O)NC(C)CC(C)C 40a_100000692259_100000053943 [0,2,0,0,0,0|2,0,0]=4 6817 B11R0.117 CCC(=O)C(C)CN(C)C(C)C 1458a_100015184680_100000210202 [0,2,0,0,0,0|2,0,0]=4 6818 B11R0.117 CCC(=O)C(C)NC(C)C(C)C 2230a_100000211541_100000742827 [0,2,0,0,0,0|2,0,0]=4 6819 B11R0.117 CCC(=O)C(C)OC(C)C(C)C 7a_100000748068_100000742827 [0,2,0,0,0,0|2,0,0]=4 6820 B11R0.118 CCC(=O)C(CC)OCC(C)C 34a_200011218131_100000210624 [0,2,0,0,0,0|2,0,0]=4 6821 B11R0.118 CCC(=O)C(CC)OCC(C)C 7a_200011218131_100000210760 [0,2,0,0,0,0|2,0,0]=4 6822 B11R0.118 CCC(=O)N(CC)CCC(C)C 11a_100000207693_100000210414 [0,2,0,0,0,0|1,0,0]=3 6823 B11R0.118 CCC(=O)N(CC)CCC(C)C 1626a_100000207693_100000210414 [0,2,0,0,0,0|1,0,0]=3 6824 B11R0.118 CCC(=O)N(CC)CCC(C)C 240690a_100000207693_100000210414 [0,2,0,0,0,0|1,0,0]=3 6825 B11R0.118 CCC(=O)N(CC)CCC(C)C 527a_100000207693_100000210414 [0,2,0,0,0,0|1,0,0]=3 6826 B11R0.118 CCC(=O)N(CC)CCN(C)C 240690a_100000225870_100000210414 [0,2,0,0,0,0|2,0,0]=4 6827 B11R0.118 CCN(CCC(C)C)C(=O)CO 240690a_100000207693_100000210174 [0,2,0,0,0,0|2,0,0]=4 6828 B11R0.118 CCN(CCC(C)C)C(=O)CO 527a_100000207693_100000210174 [0,2,0,0,0,0|2,0,0]=4 6829 B11R0.118 CCN(CCC(C)C)C(=O)NC 2708a_100102657272_100000207693 [0,2,0,0,0,0|2,0,0]=4 6830 B11R0.118 CCN(CCC(C)C)C(=O)NC 273464a_100102657272_100000207693 [0,2,0,0,0,0|2,0,0]=4 6831 B11R0.120 CCC(=O)C(C)NCC(C)CC 2230a_100020588543_100000742827 [0,2,0,0,0,0|2,0,0]=4 6832 B11R0.120 CCC(=O)C(C)NC[C@@H](C)OC 2230a_100020591295_100000742827 [0,2,0,0,0,0|2,0,0]=4 6833 B11R0.120 CCC(=O)C(C)OC[C@@H](C)CC 7a_100009816381_100000742827 [0,2,0,0,0,0|2,0,0]=4 6834 B11R0.120 CCC(=O)C(C)SCC(C)CC 62a_100000742827_100000748023 [0,2,0,0,0,0|2,0,0]=4 6835 B11R0.120 CCC(=O)C(C)SCC(C)CC 62a_100000748023_100000742827 [0,2,0,0,0,0|2,0,0]=4 6836 B11R0.120 CCC(=O)C(C)SC[C@@H](C)CC 62a_100000742827_100009816398 [0,2,0,0,0,0|2,0,0]=4 6837 B11R0.120 CCC(=O)C(C)SC[C@@H](C)CC 62a_100009816398_100000742827 [0,2,0,0,0,0|2,0,0]=4 6838 B11R0.120 CCC(=O)C(C)SC[C@@H](C)CO 62a_100000059175_100000742827 [0,2,0,0,0,0|2,0,0]=4 6839 B11R0.120 CCC(=O)C(C)SC[C@@H](C)CO 62a_100000742827_100000059175 [0,2,0,0,0,0|2,0,0]=4 6840 B11R0.120 CCC(=O)COC(C)C(C)CC 7a_100011215189_100000747405 [0,2,0,0,0,0|2,0,0]=4 6841 B11R0.120 CCC(=O)NCC(=O)C(C)CC 1458a_100000194589_100000758301 [0,2,0,0,0,0|1,0,1]=4 6842 B11R0.129 CCS(=O)(=O)N(C)CCC(C)C 270084a_100000742789_100000211323 [0,2,0,0,0,0|2,0,0]=4 6843 B11R0.129 CCS(=O)(=O)N(C)CCC(C)C 274078a_100000742789_100000211323 [0,2,0,0,0,0|2,0,0]=4 6844 B11R0.129 CCS(=O)(=O)N(C)CCC(C)C 40a_100000742789_100000053943 [0,2,0,0,0,0|2,0,0]=4 6845 B11R0.173 C=C(C)C(=O)C(C)CCC(C)C 1458a_100000185857_100011261404 [0,2,0,0,0,0|1,0,1]=4 6846 B11R0.173 C=C(C)C(=O)N(C)CCC(C)C 11a_100000742789_100000185857 [0,2,0,0,0,0|1,0,1]=4 6847 B11R0.173 C=C(C)C(=O)N(C)CCC(C)C 1626a_100000742789_100000185857 [0,2,0,0,0,0|1,0,1]=4 6848 B11R0.173 CC(C)C(=O)N(C)CCN(C)C 240690a_100000225618_100000210198 [0,2,0,0,0,0|2,0,0]=4 6849 B11R0.173 CC(C)C(=O)N(C)CCN(C)C 527a_100000225618_100000210198 [0,2,0,0,0,0|2,0,0]=4 6850 B11R0.173 CC(C)CCC(=O)C(=O)N(C)C 1458a_100011218876_100000210312 [0,2,0,0,0,0|2,0,0]=4 6851 B11R0.173 CC(C)CCC(C)C(=O)C(C)C 1458a_100000210198_100011261404 [0,2,0,0,0,0|1,0,0]=3 6852 B11R0.173 CC(C)CCC(C)C(=O)C(C)F 1458a_100000062450_100011261404 [0,2,0,0,0,0|1,0,0]=3 6853 B11R0.173 CC(C)CCC(C)C(=O)C(O)O 1458a_100000233687_100011261404 [0,2,0,0,0,0|2,0,0]=4 6854 B11R0.173 CC(C)CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100011261404 [0,2,0,0,0,0|1,0,0]=3 6855 B11R0.173 CC(C)CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100011261404 [0,2,0,0,0,0|1,0,0]=3 6856 B11R0.173 CC(C)CCN(C)C(=O)C(C)C 11a_100000742789_100000210198 [0,2,0,0,0,0|1,0,0]=3 6857 B11R0.173 CC(C)CCN(C)C(=O)C(C)C 1626a_100000742789_100000210198 [0,2,0,0,0,0|1,0,0]=3 6858 B11R0.173 CC(C)CCN(C)C(=O)C(C)C 240690a_100000742789_100000210198 [0,2,0,0,0,0|1,0,0]=3 6859 B11R0.173 CC(C)CCN(C)C(=O)C(C)C 527a_100000742789_100000210198 [0,2,0,0,0,0|1,0,0]=3 6860 B11R0.173 CC(C)CCN(C)C(=O)C(C)F 11a_100000742789_100000062450 [0,2,0,0,0,0|1,0,0]=3 6861 B11R0.173 CC(C)CCN(C)C(=O)C(C)F 1626a_100000742789_100000062450 [0,2,0,0,0,0|1,0,0]=3 6862 B11R0.173 CC(C)CCN(C)C(=O)C(C)F 240690a_100000742789_100000062450 [0,2,0,0,0,0|1,0,0]=3 6863 B11R0.173 CC(C)CCN(C)C(=O)C(C)F 527a_100000742789_100000062450 [0,2,0,0,0,0|1,0,0]=3 6864 B11R0.173 CC(C)CCN(C)C(=O)C(F)F 11a_100000742789_100000210393 [0,2,0,0,0,0|2,0,0]=4 6865 B11R0.173 CC(C)CCN(C)C(=O)C(F)F 1626a_100000742789_100000210393 [0,2,0,0,0,0|2,0,0]=4 6866 B11R0.173 CC(C)CCN(C)C(=O)C(F)F 240690a_100000742789_100000210393 [0,2,0,0,0,0|2,0,0]=4 6867 B11R0.173 CC(C)CCN(C)C(=O)C(F)F 527a_100000742789_100000210393 [0,2,0,0,0,0|2,0,0]=4 6868 B11R0.173 CC(C)CCN(C)C(=O)C(O)O 240690a_100000742789_100000233687 [0,2,0,0,0,0|2,0,0]=4 6869 B11R0.173 CC(C)CCN(C)C(=O)[C@@H](C)O 240690a_100000742789_100000717761 [0,2,0,0,0,0|1,0,0]=3 6870 B11R0.173 CC(C)CCN(C)C(=O)[C@H](C)O 1626a_100000742789_217856618621 [0,2,0,0,0,0|1,0,0]=3 6871 B11R0.173 CC(C)CCN(C)C(=O)[C@H](C)O 240690a_100000742789_217856618621 [0,2,0,0,0,0|1,0,0]=3 6872 B11R0.173 CC(C)CNC(=O)C(=O)C(C)C 1458a_200011297155_100000210206 [0,2,0,0,0,0|2,0,0]=4 6873 B11R0.173 CC(C)CNC(C)C(=O)C(C)C 2230a_100000210953_100009893295 [0,2,0,0,0,0|2,0,0]=4 6874 B11R0.173 CC(C)CSC(C)C(=O)C(C)C 62a_100000210624_100009893295 [0,2,0,0,0,0|2,0,0]=4 6875 B11R0.173 CC(C)CSC(C)C(=O)C(C)C 62a_100009893295_100000210760 [0,2,0,0,0,0|2,0,0]=4 6876 B11R0.173 CC(F)C(=O)N(C)CCN(C)C 240690a_100000225618_100000062450 [0,2,0,0,0,0|2,0,0]=4 6877 B11R0.173 CC(F)C(=O)N(C)CCN(C)C 527a_100000225618_100000062450 [0,2,0,0,0,0|2,0,0]=4 6878 B11R0.173 C[C@@H](O)C(=O)N(C)CCN(C)C 240690a_100000225618_100000717761 [0,2,0,0,0,0|2,0,0]=4 6879 B11R0.173 C[C@H](O)C(=O)N(C)CCN(C)C 240690a_100000225618_217856618621 [0,2,0,0,0,0|2,0,0]=4 6880 B11R0.288 CC(C)CCC(C)(C)C(=O)CO 1458a_100000210174_200000037585 [0,2,0,0,0,0|2,0,0]=4 6881 B11R0.288 CCC(=O)C(C)(C)CCC(C)C 1458a_100000210414_200000037585 [0,2,0,0,0,0|1,0,0]=3 6882 B11R0.290 CCC(=O)C(C)NCC(C)(C)C 2230a_100000743828_100000742827 [0,2,0,0,0,0|2,0,0]=4 6883 B11R0.290 CCC(=O)C(C)NCC(C)(C)F 2230a_100020643315_100000742827 [0,2,0,0,0,0|2,0,0]=4 6884 B11R0.290 CCC(=O)C(C)NCC(C)(C)O 2230a_100000751335_100000742827 [0,2,0,0,0,0|2,0,0]=4 6885 B11R0.290 CCC(=O)C(C)SCC(C)(C)C 62a_100000742827_100011219605 [0,2,0,0,0,0|2,0,0]=4 6886 B11R0.290 CCC(=O)C(C)SCC(C)(C)C 62a_100011219605_100000742827 [0,2,0,0,0,0|2,0,0]=4 6887 B11R0.290 CCC(=O)C(C)SCC(C)(C)F 62a_100000742827_100011997219 [0,2,0,0,0,0|2,0,0]=4 6888 B11R0.290 CCC(=O)C(C)SCC(C)(C)F 62a_100011997219_100000742827 [0,2,0,0,0,0|2,0,0]=4 6889 B11R0.290 CCC(=O)C(C)SCC(C)(C)O 62a_100000742827_100000764493 [0,2,0,0,0,0|2,0,0]=4 6890 B11R0.290 CCC(=O)C(C)SCC(C)(C)O 62a_100000764493_100000742827 [0,2,0,0,0,0|2,0,0]=4 6891 B11R0.290 CNC(=O)C(=O)CCC(C)(C)C 1458a_100011218921_100000755188 [0,2,0,0,0,0|2,0,0]=4 6892 B11R0.200 CCC(=O)CCCC(OC)OC 1458a_100000210414_100000069011 [0,2,0,0,0,0|1,0,0]=3 6893 B11R0.200 CCC(=O)CCCN(CC)CC 1458a_100000210414_100000709985 [0,2,0,0,0,0|2,0,0]=4 6894 B11R0.200 CCC(=O)CCCN(CC)CC 1458a_100076194134_100000210202 [0,2,0,0,0,0|2,0,0]=4 6895 B11R0.200 CCC(=O)COCC(CC)CC 34a_100000725409_100011215472 [0,2,0,0,0,0|2,0,0]=4 6896 B11R0.200 CCC(=O)COCC(CC)CC 7a_100000703878_100000747405 [0,2,0,0,0,0|2,0,0]=4 6897 B11R0.200 CCC(=O)COCC(CC)OC 7a_100011934954_100000747405 [0,2,0,0,0,0|2,0,0]=4 6898 B11R0.200 CCC(=O)COCC(OC)OC 34a_100000725409_100000211822 [0,2,0,0,0,0|2,0,0]=4 6899 B11R0.200 CCC(=O)CSCC(CC)CC 62a_100000747405_100011215472 [0,2,0,0,0,0|2,0,0]=4 6900 B11R0.200 CCC(=O)CSCC(CC)CC 62a_100011215472_100000747405 [0,2,0,0,0,0|2,0,0]=4 6901 B11R0.200 CCC(=O)CSCC(OC)OC 62a_100000747405_100000751394 [0,2,0,0,0,0|2,0,0]=4 6902 B11R0.200 CCC(=O)CSCC(OC)OC 62a_100000751394_100000747405 [0,2,0,0,0,0|2,0,0]=4 6903 B11R0.200 CCC(=O)NCCN(CC)CC 1626a_100015382049_100000210414 [0,2,0,0,0,0|2,0,0]=4 6904 B11R0.200 CCC(=O)NCCN(CC)CC 240690a_100015382049_100000210414 [0,2,0,0,0,0|2,0,0]=4 6905 B11R0.200 CCC(=O)NCCN(CC)CC 527a_100015382049_100000210414 [0,2,0,0,0,0|2,0,0]=4 6906 B11R0.200 CCC(C)CCOC(CC)CC 7a_100011215188_100000210505 [0,2,0,0,0,0|1,0,1]=4 6907 B11R0.200 CCC(C)OCCC(OC)OC 7a_100000210228_100009813347 [0,2,0,0,0,0|1,0,1]=4 6908 B11R0.200 CCC(CC)OCCC(C)OC 7a_100000764861_100000210505 [0,2,0,0,0,0|1,0,1]=4 6909 B11R0.200 CCC(CC)SCOC(=O)OC 62a_100000210505_100000139417 [0,2,0,0,0,0|2,0,0]=4 6910 B11R0.200 CCN(CC)CCOC(=O)NC 269982a_100000724800_200011997002 [0,2,0,0,0,0|2,0,0]=4 6911 B11R0.200 COC(CCCC(=O)CO)OC 1458a_100000210174_100000069011 [0,2,0,0,0,0|2,0,0]=4 6912 B11R0.320 C#CC(C)(C)SCOC(=O)OC 62a_100000038118_100000139417 [0,2,0,0,0,0|2,0,0]=4 6913 B11R0.320 CC(C)(C#N)CCCC(=O)CO 1458a_100000210174_100000759902 [0,2,0,0,0,0|2,0,0]=4 6914 B11R0.320 CCC(=O)CCCC(C)(C)C#N 1458a_100000210414_100000759902 [0,2,0,0,0,0|1,0,0]=3 6915 B11R0.320 CCC(=O)COCC(C)(C)CC 7a_100000765029_100000747405 [0,2,0,0,0,0|2,0,0]=4 6916 B11R0.320 CCC(=O)COCC(C)(C)CCl 7a_100011217199_100000747405 [0,2,0,0,0,0|2,0,0]=4 6917 B11R0.320 CCC(=O)COCC(C)(C)CO 34a_100000725409_100009813988 [0,2,0,0,0,0|2,0,0]=4 6918 B11R0.320 CCC(=O)COCC(C)(C)OC 34a_100000725409_100000701081 [0,2,0,0,0,0|2,0,0]=4 6919 B11R0.320 CCC(=O)CSCC(C)(C)CO 62a_100000747405_100009813988 [0,2,0,0,0,0|2,0,0]=4 6920 B11R0.320 CCC(=O)CSCC(C)(C)CO 62a_100009813988_100000747405 [0,2,0,0,0,0|2,0,0]=4 6921 B11R0.320 CCC(=O)CSCC(C)(C)OC 62a_100000701081_100000747405 [0,2,0,0,0,0|2,0,0]=4 6922 B11R0.320 CCC(=O)CSCC(C)(C)OC 62a_100000747405_100000701081 [0,2,0,0,0,0|2,0,0]=4 6923 B11R0.320 CCC(C)(C)OCCC(C)OC 7a_100000764861_100000210677 [0,2,0,0,0,0|1,0,1]=4 6924 B11R0.320 CCC(C)(C)SCOC(=O)OC 62a_100000032637_100000139417 [0,2,0,0,0,0|2,0,0]=4 6925 B11R0.320 CCC(C)CCNS(=O)(=O)CC 270084a_100020591266_100000211323 [0,2,0,0,0,0|2,0,0]=4 6926 B11R0.320 CCC(C)CCNS(=O)(=O)CC 274078a_100020591266_100000211323 [0,2,0,0,0,0|2,0,0]=4 6927 B11R0.320 CCC(C)CCNS(=O)(=O)CC 40a_100020591266_100000053943 [0,2,0,0,0,0|2,0,0]=4 6928 B11R0.320 CCC(C)CCOC(C)(C)CC 7a_100011215188_100000210677 [0,2,0,0,0,0|1,0,1]=4 6929 B11R0.320 CCC(C)OCCC(C)(C)OC 7a_100000699976_100000758301 [0,2,0,0,0,0|1,0,1]=4 6930 B11R0.320 CCS(=O)(=O)NCCC(C)CO 270084a_106354213184_100000211323 [0,2,0,0,0,0|2,0,0]=4 6931 B11R0.320 CCS(=O)(=O)NCCC(C)CO 274078a_106354213184_100000211323 [0,2,0,0,0,0|2,0,0]=4 6932 B11R0.320 CCS(=O)(=O)NCCC(C)CO 40a_106354213184_100000053943 [0,2,0,0,0,0|2,0,0]=4 6933 B11R0.320 COC(=O)OCSC(C)(C)C#N 62a_100011162410_100000139417 [0,2,0,0,0,0|2,0,0]=4 6934 B11R0.24 C#CC(CC)OCCC(C)(C)C 34a_100000758843_100000755188 [0,2,0,0,0,0|1,0,1]=4 6935 B11R0.24 C#CC(CC)OCCC(C)(C)C 7a_100000758843_100000755188 [0,2,0,0,0,0|1,0,1]=4 6936 B11R0.24 C#CC(CC)OCCC(C)(C)O 34a_100000758843_100000702414 [0,2,0,0,0,0|1,0,1]=4 6937 B11R0.24 C#CC(CC)OCCC(C)(C)O 7a_100000758843_100000702414 [0,2,0,0,0,0|1,0,1]=4 6938 B11R0.24 C=CC(CC)OCCC(C)(C)C 34a_100000766422_100000755188 [0,2,0,0,0,0|1,0,1]=4 6939 B11R0.24 C=CC(CC)OCCC(C)(C)C 7a_100000766422_100000755188 [0,2,0,0,0,0|1,0,1]=4 6940 B11R0.24 C=CC(CC)OCCC(C)(C)O 34a_100000766422_100000702414 [0,2,0,0,0,0|1,0,1]=4 6941 B11R0.24 C=CC(CC)OCCC(C)(C)O 7a_100000766422_100000702414 [0,2,0,0,0,0|1,0,1]=4 6942 B11R0.24 CCC(CC)OCCC(C)(C)C 7a_100000688536_100000755188 [0,2,0,0,0,0|1,0,1]=4 6943 B11R0.24 CCC(CC)OCCC(C)(C)C 7a_100000765024_100000210505 [0,2,0,0,0,0|1,0,1]=4 6944 B11R0.24 CCC(CC)OCCC(C)(C)O 7a_100000688536_100000702414 [0,2,0,0,0,0|1,0,1]=4 6945 B11R0.89 CC(C)(O)[C@H](F)CNC(=O)CO 527a_100015379105_100000210174 [0,2,0,0,0,0|2,0,0]=4 6946 B11R0.89 CCC(=O)NC[C@@H](F)C(C)(C)O 1626a_100015379105_100000210414 [0,2,0,0,0,0|1,0,0]=3 6947 B11R0.89 CCC(=O)NC[C@@H](F)C(C)(C)O 527a_100015379105_100000210414 [0,2,0,0,0,0|1,0,0]=3 6948 B11R0.89 CNC(=O)NC[C@@H](F)C(C)(C)O 2708a_100102657272_100015379105 [0,2,0,0,0,0|2,0,0]=4 6949 B11R0.89 CNC(=O)NC[C@@H](F)C(C)(C)O 273464a_100102657272_100015379105 [0,2,0,0,0,0|2,0,0]=4 6950 B11R0.89 CNC(=O)NC[C@@H](F)C(C)(C)O 512a_100015379105_100102657272 [0,2,0,0,0,0|2,0,0]=4 6951 B11R0.89 CNC(=O)NC[C@@H](F)C(C)(C)O 512a_106832991638_100015379105 [0,2,0,0,0,0|2,0,0]=4 6952 B11R0.131 CCC(C)(C)OCCC(C)(C)C 7a_100000210230_100000755188 [0,2,0,0,0,0|1,0,1]=4 6953 B11R0.131 CCC(C)(C)OCCC(C)(C)C 7a_100000765024_100000210677 [0,2,0,0,0,0|1,0,1]=4 6954 B11R0.131 CCC(C)(C)OCCC(C)(C)O 7a_100000210230_100000702414 [0,2,0,0,0,0|1,0,1]=4 6955 B11R0.131 CCS(=O)(=O)NCCC(C)(C)C 270084a_100000738805_100000211323 [0,2,0,0,0,0|2,0,0]=4 6956 B11R0.131 CCS(=O)(=O)NCCC(C)(C)C 274078a_100000738805_100000211323 [0,2,0,0,0,0|2,0,0]=4 6957 B11R0.131 CCS(=O)(=O)NCCC(C)(C)C 40a_100000738805_100000053943 [0,2,0,0,0,0|2,0,0]=4 6958 B11R0.131 CCS(=O)(=O)NCCC(C)(C)F 270084a_100016253952_100000211323 [0,2,0,0,0,0|2,0,0]=4 6959 B11R0.131 CCS(=O)(=O)NCCC(C)(C)F 274078a_100016253952_100000211323 [0,2,0,0,0,0|2,0,0]=4 6960 B11R0.131 CCS(=O)(=O)NCCC(C)(C)F 40a_100016253952_100000053943 [0,2,0,0,0,0|2,0,0]=4 6961 B11R0.131 CCS(=O)(=O)NCCC(C)(C)O 270084a_100000707701_100000211323 [0,2,0,0,0,0|2,0,0]=4 6962 B11R0.131 CCS(=O)(=O)NCCC(C)(C)O 274078a_100000707701_100000211323 [0,2,0,0,0,0|2,0,0]=4 6963 B11R0.131 CCS(=O)(=O)NCCC(C)(C)O 40a_100000707701_100000053943 [0,2,0,0,0,0|2,0,0]=4 6964 B11R0.318 C=C(C)C(=O)NCCC(C)(C)C 11a_100000738805_100000185857 [0,2,0,0,0,0|1,0,1]=4 6965 B11R0.318 C=C(C)C(=O)NCCC(C)(C)C 1626a_100000738805_100000185857 [0,2,0,0,0,0|1,0,1]=4 6966 B11R0.318 C=C(C)C(=O)NCCC(C)(C)F 11a_100016253952_100000185857 [0,2,0,0,0,0|1,0,1]=4 6967 B11R0.318 C=C(C)C(=O)NCCC(C)(C)F 1626a_100016253952_100000185857 [0,2,0,0,0,0|1,0,1]=4 6968 B11R0.318 C=C(C)C(=O)NCCC(C)(C)O 1626a_100000707701_100000185857 [0,2,0,0,0,0|1,0,1]=4 6969 B11R0.318 CC(C)(C)CCNC(=O)C(F)F 11a_100000738805_100000210393 [0,2,0,0,0,0|2,0,0]=4 6970 B11R0.318 CC(C)(C)CCNC(=O)C(F)F 1626a_100000738805_100000210393 [0,2,0,0,0,0|2,0,0]=4 6971 B11R0.318 CC(C)(C)CCNC(=O)C(F)F 240690a_100000738805_100000210393 [0,2,0,0,0,0|2,0,0]=4 6972 B11R0.318 CC(C)(C)CCNC(=O)C(F)F 527a_100000738805_100000210393 [0,2,0,0,0,0|2,0,0]=4 6973 B11R0.318 CC(C)(C)CCNC(=O)C(O)O 240690a_100000738805_100000233687 [0,2,0,0,0,0|2,0,0]=4 6974 B11R0.318 CC(C)(F)CCNC(=O)C(F)F 11a_100016253952_100000210393 [0,2,0,0,0,0|2,0,0]=4 6975 B11R0.318 CC(C)(F)CCNC(=O)C(F)F 1626a_100016253952_100000210393 [0,2,0,0,0,0|2,0,0]=4 6976 B11R0.318 CC(C)(F)CCNC(=O)C(F)F 240690a_100016253952_100000210393 [0,2,0,0,0,0|2,0,0]=4 6977 B11R0.318 CC(C)(F)CCNC(=O)C(F)F 527a_100016253952_100000210393 [0,2,0,0,0,0|2,0,0]=4 6978 B11R0.318 CC(C)(F)CCNC(=O)C(O)O 240690a_100016253952_100000233687 [0,2,0,0,0,0|2,0,0]=4 6979 B11R0.318 CC(C)(O)CCNC(=O)C(F)F 1626a_100000707701_100000210393 [0,2,0,0,0,0|2,0,0]=4 6980 B11R0.318 CC(C)(O)CCNC(=O)C(F)F 527a_100000707701_100000210393 [0,2,0,0,0,0|2,0,0]=4 6981 B11R0.318 CC(C)C(=O)CCC[N+](C)(C)C 1458a_100000085584_100000210206 [0,2,0,0,0,0|2,0,0]=4 6982 B11R0.318 CC(C)C(=O)CCC[N+](C)(C)C 1458a_100000210198_100016990835 [0,2,0,0,0,0|2,0,0]=4 6983 B11R0.318 CC(C)C(=O)CCC[Si](C)(C)C 1458a_100000210198_100011219597 [0,2,0,0,0,0|1,1,0]=4 6984 B11R0.318 CC(C)C(=O)CNCC(C)(C)C 2230a_100000743828_100000753385 [0,2,0,0,0,0|2,0,0]=4 6985 B11R0.318 CC(C)C(=O)CNCC(C)(C)F 2230a_100020643315_100000753385 [0,2,0,0,0,0|2,0,0]=4 6986 B11R0.318 CC(C)C(=O)CNCC(C)(C)O 2230a_100000751335_100000753385 [0,2,0,0,0,0|2,0,0]=4 6987 B11R0.318 CC(C)C(=O)COCC(C)(C)F 34a_100000716592_100000753385 [0,2,0,0,0,0|2,0,0]=4 6988 B11R0.318 CC(C)C(=O)CSCC(C)(C)C 62a_100000753385_100011219605 [0,2,0,0,0,0|2,0,0]=4 6989 B11R0.318 CC(C)C(=O)CSCC(C)(C)C 62a_100011219605_100000753385 [0,2,0,0,0,0|2,0,0]=4 6990 B11R0.318 CC(C)C(=O)CSCC(C)(C)F 62a_100000753385_100011997219 [0,2,0,0,0,0|2,0,0]=4 6991 B11R0.318 CC(C)C(=O)CSCC(C)(C)F 62a_100011997219_100000753385 [0,2,0,0,0,0|2,0,0]=4 6992 B11R0.318 CC(C)C(=O)CSCC(C)(C)O 62a_100000753385_100000764493 [0,2,0,0,0,0|2,0,0]=4 6993 B11R0.318 CC(C)C(=O)CSCC(C)(C)O 62a_100000764493_100000753385 [0,2,0,0,0,0|2,0,0]=4 6994 B11R0.318 CC(C)C(=O)NCCC(C)(C)C 11a_100000738805_100000210198 [0,2,0,0,0,0|1,0,0]=3 6995 B11R0.318 CC(C)C(=O)NCCC(C)(C)C 1626a_100000738805_100000210198 [0,2,0,0,0,0|1,0,0]=3 6996 B11R0.318 CC(C)C(=O)NCCC(C)(C)C 240690a_100000738805_100000210198 [0,2,0,0,0,0|1,0,0]=3 6997 B11R0.318 CC(C)C(=O)NCCC(C)(C)C 527a_100000738805_100000210198 [0,2,0,0,0,0|1,0,0]=3 6998 B11R0.318 CC(C)C(=O)NCCC(C)(C)F 11a_100016253952_100000210198 [0,2,0,0,0,0|1,0,0]=3 6999 B11R0.318 CC(C)C(=O)NCCC(C)(C)F 1626a_100016253952_100000210198 [0,2,0,0,0,0|1,0,0]=3 7000 B11R0.318 CC(C)C(=O)NCCC(C)(C)F 240690a_100016253952_100000210198 [0,2,0,0,0,0|1,0,0]=3 7001 B11R0.318 CC(C)C(=O)NCCC(C)(C)F 527a_100016253952_100000210198 [0,2,0,0,0,0|1,0,0]=3 7002 B11R0.318 CC(C)C(=O)NCCC(C)(C)O 1626a_100000707701_100000210198 [0,2,0,0,0,0|1,0,0]=3 7003 B11R0.318 CC(C)C(=O)NCCC(C)(C)O 527a_100000707701_100000210198 [0,2,0,0,0,0|1,0,0]=3 7004 B11R0.318 CC(C)C(=O)NCC[N+](C)(C)C 1626a_100000106457_100000210198 [0,2,0,0,0,0|2,0,0]=4 7005 B11R0.318 CC(C)C(=O)NCC[N+](C)(C)C 240690a_100000106457_100000210198 [0,2,0,0,0,0|2,0,0]=4 7006 B11R0.318 CC(C)C(=O)NCC[N+](C)(C)C 527a_100000106457_100000210198 [0,2,0,0,0,0|2,0,0]=4 7007 B11R0.318 CC(C)C(=O)OCSC(C)(C)C 62a_100000139345_100000211941 [0,2,0,0,0,0|1,0,0]=3 7008 B11R0.318 CC(C)C(=O)OCSC(C)(C)C 62a_100000211941_100000139345 [0,2,0,0,0,0|1,0,0]=3 7009 B11R0.318 CC(C)C(C)OCCC(C)(C)C 7a_100000748068_100000755188 [0,2,0,0,0,0|1,0,1]=4 7010 B11R0.318 CC(C)C(C)OCCC(C)(C)O 7a_100000748068_100000702414 [0,2,0,0,0,0|1,0,1]=4 7011 B11R0.318 CC(F)C(=O)CCC[N+](C)(C)C 1458a_100000062450_100016990835 [0,2,0,0,0,0|2,0,0]=4 7012 B11R0.318 CC(F)C(=O)CCC[Si](C)(C)C 1458a_100000062450_100011219597 [0,2,0,0,0,0|1,1,0]=4 7013 B11R0.318 CC(F)C(=O)NCCC(C)(C)C 11a_100000738805_100000062450 [0,2,0,0,0,0|1,0,0]=3 7014 B11R0.318 CC(F)C(=O)NCCC(C)(C)C 1626a_100000738805_100000062450 [0,2,0,0,0,0|1,0,0]=3 7015 B11R0.318 CC(F)C(=O)NCCC(C)(C)C 240690a_100000738805_100000062450 [0,2,0,0,0,0|1,0,0]=3 7016 B11R0.318 CC(F)C(=O)NCCC(C)(C)C 527a_100000738805_100000062450 [0,2,0,0,0,0|1,0,0]=3 7017 B11R0.318 CC(F)C(=O)NCCC(C)(C)F 11a_100016253952_100000062450 [0,2,0,0,0,0|1,0,0]=3 7018 B11R0.318 CC(F)C(=O)NCCC(C)(C)F 1626a_100016253952_100000062450 [0,2,0,0,0,0|1,0,0]=3 7019 B11R0.318 CC(F)C(=O)NCCC(C)(C)F 240690a_100016253952_100000062450 [0,2,0,0,0,0|1,0,0]=3 7020 B11R0.318 CC(F)C(=O)NCCC(C)(C)F 527a_100016253952_100000062450 [0,2,0,0,0,0|1,0,0]=3 7021 B11R0.318 CC(F)C(=O)NCCC(C)(C)O 1626a_100000707701_100000062450 [0,2,0,0,0,0|1,0,0]=3 7022 B11R0.318 CC(F)C(=O)NCCC(C)(C)O 527a_100000707701_100000062450 [0,2,0,0,0,0|1,0,0]=3 7023 B11R0.318 CC(F)C(=O)NCC[N+](C)(C)C 1626a_100000106457_100000062450 [0,2,0,0,0,0|2,0,0]=4 7024 B11R0.318 CC(F)C(=O)NCC[N+](C)(C)C 240690a_100000106457_100000062450 [0,2,0,0,0,0|2,0,0]=4 7025 B11R0.318 CC(F)C(=O)NCC[N+](C)(C)C 527a_100000106457_100000062450 [0,2,0,0,0,0|2,0,0]=4 7026 B11R0.318 CN(C)C(=O)NCCC(C)(C)C 2708a_100000738805_100102631434 [0,2,0,0,0,0|2,0,0]=4 7027 B11R0.318 CN(C)C(=O)NCCC(C)(C)F 2708a_100016253952_100102631434 [0,2,0,0,0,0|2,0,0]=4 7028 B11R0.318 CN(C)C(=O)NCCC(C)(C)O 2708a_100000707701_100102631434 [0,2,0,0,0,0|2,0,0]=4 7029 B11R0.318 C[C@@H](O)C(=O)CCC[N+](C)(C)C 1458a_100000717761_100016990835 [0,2,0,0,0,0|2,0,0]=4 7030 B11R0.318 C[C@@H](O)C(=O)CCC[Si](C)(C)C 1458a_100000717761_100011219597 [0,2,0,0,0,0|1,1,0]=4 7031 B11R0.318 C[C@@H](O)C(=O)NCCC(C)(C)C 240690a_100000738805_100000717761 [0,2,0,0,0,0|1,0,0]=3 7032 B11R0.318 C[C@@H](O)C(=O)NCCC(C)(C)F 240690a_100016253952_100000717761 [0,2,0,0,0,0|1,0,0]=3 7033 B11R0.318 C[C@@H](O)C(=O)NCC[N+](C)(C)C 240690a_100000106457_100000717761 [0,2,0,0,0,0|2,0,0]=4 7034 B11R0.318 C[C@H](O)C(=O)CCC[N+](C)(C)C 1458a_217856618621_100016990835 [0,2,0,0,0,0|2,0,0]=4 7035 B11R0.318 C[C@H](O)C(=O)CCC[Si](C)(C)C 1458a_217856618621_100011219597 [0,2,0,0,0,0|1,1,0]=4 7036 B11R0.318 C[C@H](O)C(=O)NCCC(C)(C)C 1626a_100000738805_217856618621 [0,2,0,0,0,0|1,0,0]=3 7037 B11R0.318 C[C@H](O)C(=O)NCCC(C)(C)C 240690a_100000738805_217856618621 [0,2,0,0,0,0|1,0,0]=3 7038 B11R0.318 C[C@H](O)C(=O)NCCC(C)(C)F 1626a_100016253952_217856618621 [0,2,0,0,0,0|1,0,0]=3 7039 B11R0.318 C[C@H](O)C(=O)NCCC(C)(C)F 240690a_100016253952_217856618621 [0,2,0,0,0,0|1,0,0]=3 7040 B11R0.318 C[C@H](O)C(=O)NCCC(C)(C)O 1626a_100000707701_217856618621 [0,2,0,0,0,0|1,0,0]=3 7041 B11R0.318 C[C@H](O)C(=O)NCC[N+](C)(C)C 1626a_100000106457_217856618621 [0,2,0,0,0,0|2,0,0]=4 7042 B11R0.318 C[C@H](O)C(=O)NCC[N+](C)(C)C 240690a_100000106457_217856618621 [0,2,0,0,0,0|2,0,0]=4 7043 B11R0.202 CC(C)CCNS(=O)(=O)C(C)C 270084a_100000210545_100000742656 [0,2,0,0,0,0|2,0,0]=4 7044 B11R0.202 CC(C)CCNS(=O)(=O)C(C)C 274078a_100000210545_100000742656 [0,2,0,0,0,0|2,0,0]=4 7045 B11R0.202 CC(C)CCOC(C)(C)C(C)C 7a_100011215261_100000210626 [0,2,0,0,0,0|1,0,1]=4 7046 B11R0.213 C#CC(C)(CC)OCCC(C)C 34a_100000686493_100000210312 [0,2,0,0,0,0|1,0,1]=4 7047 B11R0.213 C#CC(C)(CC)OCCC(C)C 7a_100000686493_100000210626 [0,2,0,0,0,0|1,0,1]=4 7048 B11R0.213 CCC(C)(C#N)OCCC(C)C 7a_100000760259_100000210626 [0,2,0,0,0,0|1,0,1]=4 7049 B11R0.213 CCC(C)(CC)OCCC(C)C 7a_100000210254_100009817345 [0,2,0,0,0,0|1,0,1]=4 7050 B11R0.213 CCC(C)(CC)OCCC(C)C 7a_100000755174_100000210626 [0,2,0,0,0,0|1,0,1]=4 7051 B11R0.302 CCS(=O)(=O)NCC(O)C(C)C 270084a_100000759067_100000211323 [0,2,0,0,0,0|2,0,0]=4 7052 B11R0.302 CCS(=O)(=O)NCC(O)C(C)C 274078a_100000759067_100000211323 [0,2,0,0,0,0|2,0,0]=4 7053 B11R0.302 CCS(=O)(=O)NCC(O)C(C)C 40a_100000759067_100000053943 [0,2,0,0,0,0|2,0,0]=4 7054 B11R0.273 C#CC(OCCC(C)C)C(C)C 34a_100011217124_100000210312 [0,2,0,0,0,0|1,0,1]=4 7055 B11R0.273 C#CC(OCCC(C)C)C(C)C 7a_100011217124_100000210626 [0,2,0,0,0,0|1,0,1]=4 7056 B11R0.273 C=CC(OCCC(C)C)C(C)C 34a_100000732651_100000210312 [0,2,0,0,0,0|1,0,1]=4 7057 B11R0.273 C=CC(OCCC(C)C)C(C)C 7a_100000732651_100000210626 [0,2,0,0,0,0|1,0,1]=4 7058 B11R0.273 CC(C)CCOC(C#N)C(C)C 34a_100000748901_100000210312 [0,2,0,0,0,0|1,0,1]=4 7059 B11R0.273 CC(C)CCOC(C#N)C(C)C 7a_100000748901_100000210626 [0,2,0,0,0,0|1,0,1]=4 7060 B11R0.273 CC(C)CCOC(CN)C(C)C 34a_100000759067_100000210312 [0,2,0,0,0,0|1,0,1]=4 7061 B11R0.273 CCC(NCCC(C)C)C(=O)N 2230a_100000733705_100000210312 [0,2,0,0,0,0|1,0,1]=4 7062 B11R0.273 CCC(NCCC(C)C)C(=O)N 34a_100000733705_100000210312 [0,2,0,0,0,0|1,0,1]=4 7063 B11R0.273 CCC(OCCC(C)Br)C(=O)N 34a_100009893172_100000750255 [0,2,0,0,0,0|1,0,1]=4 7064 B11R0.273 CCC(OCCC(C)C)C(=O)N 34a_100000210254_100000750255 [0,2,0,0,0,0|0,0,1]=3 7065 B11R0.273 CCC(OCCC(C)C)C(=O)N 7a_100000210254_100000750255 [0,2,0,0,0,0|0,0,1]=3 7066 B11R0.273 CCC(OCCC(C)C)C(C)C 34a_100011218073_100000210312 [0,2,0,0,0,0|1,0,1]=4 7067 B11R0.273 CCC(OCCC(C)C)C(C)C 7a_100011218073_100000210626 [0,2,0,0,0,0|1,0,1]=4 7068 B11R0.273 CCC(OCC[C@@H](C)N)C(=O)N 34a_100000706166_100000750255 [0,2,0,0,0,0|1,0,1]=4 7069 B11R0.273 CCC(SCCC(C)C)C(=O)N 62a_100000210312_100000750255 [0,2,0,0,0,0|0,1,1]=4 7070 B11R0.273 CCC(SCCC(C)C)C(=O)N 62a_100000750255_100000210312 [0,2,0,0,0,0|0,1,1]=4 7071 B11R0.273 CC[C@@H](NCCC(C)C)C(=O)O 269956a_100000747097_100000210312 [0,2,0,0,0,0|1,0,1]=4 7072 B11R0.90 C#CC(OCC(=O)CC)C(C)C 7a_100011217124_100000747405 [0,2,0,0,0,0|2,0,0]=4 7073 B11R0.90 C=CC(OCC(=O)CC)C(C)C 7a_100000732651_100000747405 [0,2,0,0,0,0|2,0,0]=4 7074 B11R0.90 CC(C)C(CO)CNC(=O)CO 240690a_100000692819_100000210174 [0,2,0,0,0,0|2,0,0]=4 7075 B11R0.90 CC(C)C(CO)CNC(=O)CO 527a_100000692819_100000210174 [0,2,0,0,0,0|2,0,0]=4 7076 B11R0.90 CCC(=O)COC(C#N)C(C)C 7a_100000748901_100000747405 [0,2,0,0,0,0|2,0,0]=4 7077 B11R0.90 CCC(=O)COC(CC)C(C)C 7a_100011218073_100000747405 [0,2,0,0,0,0|2,0,0]=4 7078 B11R0.90 CCC(=O)NCC(CC)N(C)C 11a_100000738386_100000210414 [0,2,0,0,0,0|2,0,0]=4 7079 B11R0.90 CCC(=O)NCC(CC)N(C)C 1626a_100000738386_100000210414 [0,2,0,0,0,0|2,0,0]=4 7080 B11R0.90 CCC(=O)NCC(CC)N(C)C 240690a_100000738386_100000210414 [0,2,0,0,0,0|2,0,0]=4 7081 B11R0.90 CCC(=O)NCC(CO)C(C)C 240690a_100000692819_100000210414 [0,2,0,0,0,0|1,0,0]=3 7082 B11R0.90 CCC(=O)NCC(CO)C(C)C 527a_100000692819_100000210414 [0,2,0,0,0,0|1,0,0]=3 7083 B11R0.90 CCC(C)OCC(CC)C(C)C 34a_100011995916_100011215416 [0,2,0,0,0,0|1,0,1]=4 7084 B11R0.90 CCC(C)OCC(CC)C(C)C 7a_100011995916_100000758301 [0,2,0,0,0,0|1,0,1]=4 7085 B11R0.90 CCC(C)OCC(CN)C(C)C 34a_100000692819_100011215416 [0,2,0,0,0,0|1,0,1]=4 7086 B11R0.90 CNC(=O)NCC(CO)C(C)C 2708a_100102657272_100000692819 [0,2,0,0,0,0|2,0,0]=4 7087 B11R0.90 CNC(=O)NCC(CO)C(C)C 273464a_100000692819_100102657272 [0,2,0,0,0,0|2,0,0]=4 7088 B11R0.90 CNC(=O)NCC(CO)C(C)C 273464a_100102657272_100000692819 [0,2,0,0,0,0|2,0,0]=4 7089 B11R0.90 CNC(=O)NCC(CO)C(C)C 512a_100000692819_100102657272 [0,2,0,0,0,0|2,0,0]=4 7090 B11R0.90 CNC(=O)NCC(CO)C(C)C 512a_106832991638_100000692819 [0,2,0,0,0,0|2,0,0]=4 7091 B11R0.150 C=C(C)C(=O)NCC(O)C(C)C 11a_100000759067_100000185857 [0,2,0,0,0,0|1,0,1]=4 7092 B11R0.150 CC(C)C(=O)CCN(C)C(C)C 1458a_100015184040_100000210206 [0,2,0,0,0,0|2,0,0]=4 7093 B11R0.150 CC(C)C(=O)CNC(=O)C(C)C 1458a_100000194582_100000210206 [0,2,0,0,0,0|1,0,1]=4 7094 B11R0.150 CC(C)C(=O)CNC(C)C(C)C 2230a_100000211541_100000753385 [0,2,0,0,0,0|2,0,0]=4 7095 B11R0.150 CC(C)C(=O)COC(=O)C(C)C 1458a_100000210198_100000139345 [0,2,0,0,0,0|0,0,1]=3 7096 B11R0.150 CC(C)C(=O)COC(C)C(C)C 7a_100000748068_100000753385 [0,2,0,0,0,0|2,0,0]=4 7097 B11R0.150 CC(C)C(=O)NCC(O)C(C)C 11a_100000759067_100000210198 [0,2,0,0,0,0|1,0,0]=3 7098 B11R0.150 CC(C)C(=O)NCC(O)C(C)C 240690a_100000759067_100000210198 [0,2,0,0,0,0|1,0,0]=3 7099 B11R0.150 CC(C)C(=O)NCC(O)C(C)C 527a_100000759067_100000210198 [0,2,0,0,0,0|1,0,0]=3 7100 B11R0.150 CC(C)C(=O)OCC(=O)C(C)F 1458a_100000062450_100000139345 [0,2,0,0,0,0|1,0,1]=4 7101 B11R0.150 CC(C)C(=O)OCC(=O)[C@@H](C)O 1458a_100000717761_100000139345 [0,2,0,0,0,0|1,0,1]=4 7102 B11R0.150 CC(C)C(=O)OCC(=O)[C@H](C)O 1458a_217856618621_100000139345 [0,2,0,0,0,0|1,0,1]=4 7103 B11R0.150 CC(C)C(O)CNC(=O)C(F)F 11a_100000759067_100000210393 [0,2,0,0,0,0|2,0,0]=4 7104 B11R0.150 CC(C)C(O)CNC(=O)C(F)F 240690a_100000759067_100000210393 [0,2,0,0,0,0|2,0,0]=4 7105 B11R0.150 CC(C)C(O)CNC(=O)C(F)F 527a_100000759067_100000210393 [0,2,0,0,0,0|2,0,0]=4 7106 B11R0.150 CC(C)C(O)CNC(=O)C(O)O 240690a_100000759067_100000233687 [0,2,0,0,0,0|2,0,0]=4 7107 B11R0.150 CC(C)C(O)CNC(=O)[C@@H](C)O 240690a_100000759067_100000717761 [0,2,0,0,0,0|1,0,0]=3 7108 B11R0.150 CC(C)C(O)CNC(=O)[C@H](C)O 240690a_100000759067_217856618621 [0,2,0,0,0,0|1,0,0]=3 7109 B11R0.150 CC(F)C(=O)NCC(O)C(C)C 11a_100000759067_100000062450 [0,2,0,0,0,0|1,0,0]=3 7110 B11R0.150 CC(F)C(=O)NCC(O)C(C)C 240690a_100000759067_100000062450 [0,2,0,0,0,0|1,0,0]=3 7111 B11R0.150 CC(F)C(=O)NCC(O)C(C)C 527a_100000759067_100000062450 [0,2,0,0,0,0|1,0,0]=3 7112 B11R0.201 CCC(=O)COC(C)(C)C(C)C 7a_100011215261_100000747405 [0,2,0,0,0,0|2,0,0]=4 7113 B11R0.201 CCC(=O)NCC(C)(C)N(C)C 1626a_100153394228_100000210414 [0,2,0,0,0,0|2,0,0]=4 7114 B11R0.201 CCC(=O)NCC(C)(C)N(C)C 240690a_100153394228_100000210414 [0,2,0,0,0,0|2,0,0]=4 7115 B11R0.201 CCC(=O)NCC(C)(C)N(C)C 527a_100153394228_100000210414 [0,2,0,0,0,0|2,0,0]=4 7116 B11R0.84 CC(C)CCCC(=O)C(C)(C)C 1458a_106744555173_100011214892 [0,2,0,0,0,0|1,0,0]=3 7117 B11R0.84 CC(C)CCCC(=O)C(C)(C)F 1458a_100000765255_100011214892 [0,2,0,0,0,0|1,0,0]=3 7118 B11R0.84 CC(C)CCCC(=O)C(C)(C)O 1458a_100000242741_100011214892 [0,2,0,0,0,0|1,0,0]=3 7119 B11R0.84 CC(C)CCCC(=O)C(F)(F)F 1458a_100011216857_200000243211 [0,2,0,0,0,0|2,0,0]=4 7120 B11R0.84 CC(C)CCCC(=O)C(F)(F)F 1458a_100015355933_100011214892 [0,2,0,0,0,0|2,0,0]=4 7121 B11R0.84 CC(C)CCNC(=O)C(C)(C)C 11a_100000210545_106744555173 [0,2,0,0,0,0|1,0,0]=3 7122 B11R0.84 CC(C)CCNC(=O)C(C)(C)C 1626a_100000210545_106744555173 [0,2,0,0,0,0|1,0,0]=3 7123 B11R0.84 CC(C)CCNC(=O)C(C)(C)C 240690a_100000210545_106744555173 [0,2,0,0,0,0|1,0,0]=3 7124 B11R0.84 CC(C)CCNC(=O)C(C)(C)C 527a_100000210545_106744555173 [0,2,0,0,0,0|1,0,0]=3 7125 B11R0.84 CC(C)CCNC(=O)C(C)(C)F 11a_100000210545_100000765255 [0,2,0,0,0,0|1,0,0]=3 7126 B11R0.84 CC(C)CCNC(=O)C(C)(C)F 1626a_100000210545_100000765255 [0,2,0,0,0,0|1,0,0]=3 7127 B11R0.84 CC(C)CCNC(=O)C(C)(C)F 240690a_100000210545_100000765255 [0,2,0,0,0,0|1,0,0]=3 7128 B11R0.84 CC(C)CCNC(=O)C(C)(C)F 527a_100000210545_100000765255 [0,2,0,0,0,0|1,0,0]=3 7129 B11R0.84 CC(C)CCNC(=O)C(C)(C)O 240690a_100000210545_100000242741 [0,2,0,0,0,0|1,0,0]=3 7130 B11R0.84 CC(C)CCNC(=O)C(C)(F)F 11a_100000210545_100000042251 [0,2,0,0,0,0|1,0,0]=3 7131 B11R0.84 CC(C)CCNC(=O)C(C)(F)F 1626a_100000210545_100000042251 [0,2,0,0,0,0|1,0,0]=3 7132 B11R0.84 CC(C)CCNC(=O)C(C)(F)F 240690a_100000210545_100000042251 [0,2,0,0,0,0|1,0,0]=3 7133 B11R0.84 CC(C)CCNC(=O)C(C)(F)F 527a_100000210545_100000042251 [0,2,0,0,0,0|1,0,0]=3 7134 B11R0.84 CC(C)CCNC(=O)C(F)(F)F 11a_100000210545_100015355933 [0,2,0,0,0,0|2,0,0]=4 7135 B11R0.84 CC(C)CCNC(=O)C(F)(F)F 1626a_100000210545_100015355933 [0,2,0,0,0,0|2,0,0]=4 7136 B11R0.84 CC(C)CCNC(=O)C(F)(F)F 240690a_100000210545_100015355933 [0,2,0,0,0,0|2,0,0]=4 7137 B11R0.84 CC(C)CCNC(=O)C(F)(F)F 527a_100000210545_100000210220 [0,2,0,0,0,0|2,0,0]=4 7138 B11R0.84 CC(C)CNCC(=O)C(C)(C)C 34a_100000210953_100000229897 [0,2,0,0,0,0|2,0,0]=4 7139 B11R0.84 CC(C)CNNC(=O)C(C)(C)C 22a_100000696102_106744555173 [0,2,0,0,0,0|2,0,0]=4 7140 B11R0.84 CC(C)CNNC(=O)C(C)(C)F 22a_100000696102_100000765255 [0,2,0,0,0,0|2,0,0]=4 7141 B11R0.84 CC(C)CNNC(=O)C(C)(C)O 22a_100000696102_100000242741 [0,2,0,0,0,0|2,0,0]=4 7142 B11R0.84 CC(C)CNNC(=O)C(C)(F)F 22a_100000696102_100000042251 [0,2,0,0,0,0|2,0,0]=4 7143 B11R0.84 CC(C)COCC(=O)C(C)(C)C 34a_100000210257_100000229897 [0,2,0,0,0,0|2,0,0]=4 7144 B11R0.84 CC(C)COCC(=O)C(C)(C)C 34a_200011592769_100000210624 [0,2,0,0,0,0|2,0,0]=4 7145 B11R0.84 CC(C)COCC(=O)C(C)(C)C 7a_200011592769_100000210760 [0,2,0,0,0,0|2,0,0]=4 7146 B11R0.84 CC(C)CSCC(=O)C(C)(C)C 62a_100000210624_100000210923 [0,2,0,0,0,0|2,0,0]=4 7147 B11R0.84 CC(C)CSCC(=O)C(C)(C)C 62a_100000210923_100000210760 [0,2,0,0,0,0|2,0,0]=4 7148 B11R0.84 CC(C)OCCC(=O)C(C)(C)C 1458a_106744555173_100000211751 [0,2,0,0,0,0|2,0,0]=4 7149 B11R0.84 CC(C)OCCC(=O)C(C)(C)F 1458a_100000765255_100000211751 [0,2,0,0,0,0|2,0,0]=4 7150 B11R0.84 CC(C)OCCC(=O)C(C)(C)O 1458a_100000242741_100000211751 [0,2,0,0,0,0|2,0,0]=4 7151 B11R0.84 CC(C)SCCC(=O)C(C)(C)C 1458a_106744555173_100000730970 [0,2,0,0,0,0|2,0,0]=4 7152 B11R0.84 CC(C)SCCC(=O)C(C)(C)F 1458a_100000765255_100000730970 [0,2,0,0,0,0|2,0,0]=4 7153 B11R0.84 CC(C)SCCC(=O)C(C)(C)O 1458a_100000242741_100000730970 [0,2,0,0,0,0|2,0,0]=4 7154 B11R0.84 CC(C)SCOC(=O)C(C)(C)C 62a_100000032063_100000210206 [0,2,0,0,0,0|1,0,0]=3 7155 B11R0.84 CC(C)SCOC(=O)C(C)(C)C 62a_100000210206_100000032063 [0,2,0,0,0,0|1,0,0]=3 7156 B11R0.84 CC(O)CCCC(=O)C(C)(C)C 1458a_106744555173_200000718107 [0,2,0,0,0,0|2,0,0]=4 7157 B11R0.84 CC(O)CCCC(=O)C(C)(C)F 1458a_100000765255_200000718107 [0,2,0,0,0,0|2,0,0]=4 7158 B11R0.84 CC(O)CCCC(=O)C(C)(C)O 1458a_100000242741_200000718107 [0,2,0,0,0,0|2,0,0]=4 7159 B11R0.84 CC(O)CCNC(=O)C(C)(C)C 240690a_200000755665_106744555173 [0,2,0,0,0,0|2,0,0]=4 7160 B11R0.84 CC(O)CCNC(=O)C(C)(C)C 527a_200000755665_106744555173 [0,2,0,0,0,0|2,0,0]=4 7161 B11R0.84 CC(O)CCNC(=O)C(C)(C)F 240690a_200000755665_100000765255 [0,2,0,0,0,0|2,0,0]=4 7162 B11R0.84 CC(O)CCNC(=O)C(C)(C)F 527a_200000755665_100000765255 [0,2,0,0,0,0|2,0,0]=4 7163 B11R0.84 CC(O)CCNC(=O)C(C)(C)O 240690a_200000755665_100000242741 [0,2,0,0,0,0|2,0,0]=4 7164 B11R0.84 CC(O)CCNC(=O)C(C)(F)F 240690a_200000755665_100000042251 [0,2,0,0,0,0|2,0,0]=4 7165 B11R0.84 CC(O)CCNC(=O)C(C)(F)F 527a_200000755665_100000042251 [0,2,0,0,0,0|2,0,0]=4 7166 B11R0.84 CN(C)CCCC(=O)C(C)(C)C 1458a_106744555173_100000695564 [0,2,0,0,0,0|2,0,0]=4 7167 B11R0.84 CN(C)CCCC(=O)C(C)(C)F 1458a_100000765255_100000695564 [0,2,0,0,0,0|2,0,0]=4 7168 B11R0.84 CN(C)CCCC(=O)C(C)(C)O 1458a_100000242741_100000695564 [0,2,0,0,0,0|2,0,0]=4 7169 B11R0.84 CN(C)CCNC(=O)C(C)(C)C 240690a_100000210585_106744555173 [0,2,0,0,0,0|2,0,0]=4 7170 B11R0.84 CN(C)CCNC(=O)C(C)(C)C 527a_100000210585_106744555173 [0,2,0,0,0,0|2,0,0]=4 7171 B11R0.84 CN(C)CCNC(=O)C(C)(C)F 240690a_100000210585_100000765255 [0,2,0,0,0,0|2,0,0]=4 7172 B11R0.84 CN(C)CCNC(=O)C(C)(C)F 527a_100000210585_100000765255 [0,2,0,0,0,0|2,0,0]=4 7173 B11R0.84 CN(C)CCNC(=O)C(C)(C)O 240690a_100000210585_100000242741 [0,2,0,0,0,0|2,0,0]=4 7174 B11R0.84 CN(C)CCNC(=O)C(C)(F)F 240690a_100000210585_100000042251 [0,2,0,0,0,0|2,0,0]=4 7175 B11R0.84 CN(C)CCNC(=O)C(C)(F)F 527a_100000210585_100000042251 [0,2,0,0,0,0|2,0,0]=4 7176 B11R0.84 CN(C)CCOC(=O)C(F)(F)F 269982a_100102631434_200000066329 [0,2,0,0,0,0|2,0,0]=4 7177 B11R0.84 [2H]C([2H])([2H])C(=O)NCCC(C)C 11a_100000210545_200015216371 [0,2,0,0,0,0|2,0,0]=4 7178 B11R0.84 [2H]C([2H])([2H])C(=O)NCCC(C)C 1626a_100000210545_200015216371 [0,2,0,0,0,0|2,0,0]=4 7179 B11R0.84 [2H]C([2H])([2H])C(=O)NCCC(C)C 240690a_100000210545_200015216371 [0,2,0,0,0,0|2,0,0]=4 7180 B11R0.84 [2H]C([2H])([2H])C(=O)NCCC(C)C 527a_100000210545_200015216371 [0,2,0,0,0,0|2,0,0]=4 7181 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [1,0,0,1,0,0|2,0,0]=4 7182 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [1,0,0,1,0,0|2,0,0]=4 7183 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [1,0,0,1,0,0|2,0,0]=4 7184 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [1,0,0,1,0,0|2,0,0]=4 7185 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [1,0,0,1,0,0|2,0,0]=4 7186 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [1,0,0,1,0,0|2,0,0]=4 7187 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [1,0,0,1,0,0|2,0,0]=4 7188 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [1,0,0,1,0,0|2,0,0]=4 7189 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [1,0,0,1,0,0|2,0,0]=4 7190 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [1,0,0,1,0,0|2,0,0]=4 7191 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [1,0,0,1,0,0|2,0,0]=4 7192 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [1,0,0,1,0,0|2,0,0]=4 7193 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [1,0,0,1,0,0|2,0,0]=4 7194 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [1,0,0,1,0,0|2,0,0]=4 7195 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [1,0,0,1,0,0|2,0,0]=4 7196 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [1,0,0,1,0,0|2,0,0]=4 7197 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [1,0,0,1,0,0|2,0,0]=4 7198 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [1,0,0,1,0,0|2,0,0]=4 7199 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [1,0,0,1,0,0|2,0,0]=4 7200 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [1,0,0,1,0,0|2,0,0]=4 7201 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [1,0,0,1,0,0|2,0,0]=4 7202 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [1,0,0,1,0,0|2,0,0]=4 7203 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [1,0,0,1,0,0|2,0,0]=4 7204 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [1,0,0,1,0,0|2,0,0]=4 7205 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [1,0,0,1,0,0|2,0,0]=4 7206 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [1,0,0,1,0,0|2,0,0]=4 7207 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [1,0,0,1,0,0|2,0,0]=4 7208 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [1,0,0,1,0,0|2,0,0]=4 7209 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [1,0,0,1,0,0|2,0,0]=4 7210 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [1,0,0,1,0,0|2,0,0]=4 7211 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [1,0,0,1,0,0|2,0,0]=4 7212 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [1,0,0,1,0,0|2,0,0]=4 7213 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [1,0,0,1,0,0|2,0,0]=4 7214 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [1,0,0,1,0,0|2,0,0]=4 7215 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [1,0,0,1,0,0|2,0,0]=4 7216 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [1,0,0,1,0,0|2,0,0]=4 7217 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [1,0,0,1,0,0|2,0,0]=4 7218 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [1,0,0,1,0,0|2,0,0]=4 7219 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [1,0,0,1,0,0|2,0,0]=4 7220 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [1,0,0,1,0,0|2,0,0]=4 7221 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [1,0,0,1,0,0|2,0,0]=4 7222 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [1,0,0,1,0,0|2,0,0]=4 7223 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [1,0,0,1,0,0|2,0,0]=4 7224 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [1,0,0,1,0,0|2,0,0]=4 7225 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [1,0,0,1,0,0|2,0,0]=4 7226 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [1,0,0,1,0,0|2,0,0]=4 7227 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [1,0,0,1,0,0|2,0,0]=4 7228 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [1,0,0,1,0,0|1,0,1]=4 7229 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [1,0,0,1,0,0|1,0,0]=3 7230 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [1,0,0,1,0,0|1,0,0]=3 7231 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [1,0,0,1,0,0|2,0,0]=4 7232 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [1,0,0,1,0,0|2,0,0]=4 7233 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [1,0,0,1,0,0|2,0,0]=4 7234 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [1,0,0,1,0,0|1,0,0]=3 7235 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [1,0,0,1,0,0|1,0,0]=3 7236 B9R1.11 CCC(=O)N1CCSC1 11a_100011215254_100000210414 [1,0,0,1,0,0|2,0,0]=4 7237 B9R1.11 CCC(=O)N1CCSC1 240690a_100011215254_100000210414 [1,0,0,1,0,0|2,0,0]=4 7238 B9R1.11 CCC(=O)N1CCSC1 527a_100011215254_100000210414 [1,0,0,1,0,0|2,0,0]=4 7239 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [1,0,0,1,0,0|2,0,0]=4 7240 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [1,0,0,1,0,0|2,0,0]=4 7241 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [1,0,0,1,0,0|2,0,0]=4 7242 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [1,0,0,1,0,0|2,0,0]=4 7243 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [1,0,0,1,0,0|2,0,0]=4 7244 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [1,0,0,1,0,0|2,0,0]=4 7245 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [1,0,0,1,0,0|2,0,0]=4 7246 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [1,0,0,1,0,0|2,0,0]=4 7247 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [1,0,0,1,0,0|2,0,0]=4 7248 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [1,0,0,1,0,0|2,0,0]=4 7249 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [1,0,0,1,0,0|2,0,0]=4 7250 B9R1.17 CCCCOC1CCC1 34a_100000210227_100000749161 [1,0,0,1,0,0|1,0,1]=4 7251 B9R1.17 CCCCOC1CCC1 34a_100000748187_100000210210 [1,0,0,1,0,0|1,0,1]=4 7252 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [1,0,0,1,0,0|2,0,0]=4 7253 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [1,0,0,1,0,0|2,0,0]=4 7254 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [1,0,0,1,0,0|2,0,0]=4 7255 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [1,0,0,1,0,0|2,0,0]=4 7256 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [1,0,0,1,0,0|2,0,0]=4 7257 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [1,0,0,1,0,0|2,0,0]=4 7258 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [1,0,0,1,0,0|2,0,0]=4 7259 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [1,0,0,1,0,0|2,0,0]=4 7260 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [1,0,0,1,0,0|2,0,0]=4 7261 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [1,0,0,1,0,0|2,0,0]=4 7262 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [1,0,0,1,0,0|2,0,0]=4 7263 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [1,0,0,1,0,0|2,0,0]=4 7264 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [1,0,0,1,0,0|2,0,0]=4 7265 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210414 [1,0,0,1,0,0|2,0,0]=4 7266 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210414 [1,0,0,1,0,0|2,0,0]=4 7267 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210414 [1,0,0,1,0,0|2,0,0]=4 7268 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210414 [1,0,0,1,0,0|2,0,0]=4 7269 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210414 [1,0,0,1,0,0|2,0,0]=4 7270 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210414 [1,0,0,1,0,0|2,0,0]=4 7271 B9R1.79 CCC(=O)C=C1CCC1 1458a_100000686340_100000210202 [1,0,0,1,0,0|1,0,1]=4 7272 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [1,0,0,1,0,0|1,0,0]=3 7273 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [1,0,0,1,0,0|1,0,0]=3 7274 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [1,0,0,1,0,0|2,0,0]=4 7275 B9R1.79 CCC(=O)CC1COC1 1458a_100000210414_100010264016 [1,0,0,1,0,0|2,0,0]=4 7276 B9R1.79 CCC(=O)CC1COC1 1458a_100000687760_100000210202 [1,0,0,1,0,0|2,0,0]=4 7277 B9R1.79 CCC(=O)CN1CCC1 269982a_100000754969_100000747405 [1,0,0,1,0,0|2,0,0]=4 7278 B9R1.79 CCC(=O)NC1CCC1 11a_100000749019_100000210414 [1,0,0,1,0,0|1,0,0]=3 7279 B9R1.79 CCC(=O)NC1CCC1 1626a_100000749019_100000210414 [1,0,0,1,0,0|1,0,0]=3 7280 B9R1.79 CCC(=O)NC1CCC1 240690a_100000749019_100000210414 [1,0,0,1,0,0|1,0,0]=3 7281 B9R1.79 CCC(=O)NC1CCC1 527a_100000749019_100000210414 [1,0,0,1,0,0|1,0,0]=3 7282 B9R1.79 CCC(=O)NC1COC1 11a_100016991112_100000210414 [1,0,0,1,0,0|2,0,0]=4 7283 B9R1.79 CCC(=O)NC1COC1 1626a_100016991112_100000210414 [1,0,0,1,0,0|2,0,0]=4 7284 B9R1.79 CCC(=O)NC1COC1 240690a_100016991112_100000210414 [1,0,0,1,0,0|2,0,0]=4 7285 B9R1.79 CCC(=O)NC1COC1 527a_100016991112_100000210414 [1,0,0,1,0,0|2,0,0]=4 7286 B9R1.79 CCC(=O)NC1CSC1 11a_100016994217_100000210414 [1,0,0,1,0,0|2,0,0]=4 7287 B9R1.79 CCC(=O)NC1CSC1 1626a_100016994217_100000210414 [1,0,0,1,0,0|2,0,0]=4 7288 B9R1.79 CCC(=O)NC1CSC1 240690a_100016994217_100000210414 [1,0,0,1,0,0|2,0,0]=4 7289 B9R1.79 CCC(=O)NC1CSC1 527a_100016994217_100000210414 [1,0,0,1,0,0|2,0,0]=4 7290 B9R1.79 CCC(C)OC1CCC1 34a_100000748187_100011215416 [1,0,0,1,0,0|1,0,1]=4 7291 B9R1.79 CNC(=O)CC1CCC1 11a_106832991635_100000763092 [1,0,0,1,0,0|2,0,0]=4 7292 B9R1.79 CNC(=O)CC1CCC1 1626a_100102657272_100000763092 [1,0,0,1,0,0|2,0,0]=4 7293 B9R1.79 CNC(=O)CC1CCC1 240690a_100102657272_100000763092 [1,0,0,1,0,0|2,0,0]=4 7294 B9R1.79 CNC(=O)CC1CCC1 527a_100102657272_100000763092 [1,0,0,1,0,0|2,0,0]=4 7295 B9R1.79 CNC(=O)NC1CCC1 2708a_100102657272_100000749019 [1,0,0,1,0,0|2,0,0]=4 7296 B9R1.79 CNC(=O)NC1CCC1 273464a_100000749019_100102657272 [1,0,0,1,0,0|2,0,0]=4 7297 B9R1.79 CNC(=O)NC1CCC1 273464a_100102657272_100000749019 [1,0,0,1,0,0|2,0,0]=4 7298 B9R1.79 CNC(=O)NC1CCC1 512a_100000749019_100102657272 [1,0,0,1,0,0|2,0,0]=4 7299 B9R1.79 CNC(=O)NC1CCC1 512a_106832991638_100000749019 [1,0,0,1,0,0|2,0,0]=4 7300 B9R1.79 O=C(CF)CC1CCC1 1458a_100000763092_100015361967 [1,0,0,1,0,0|2,0,0]=4 7301 B9R1.79 O=C(CO)CC1CCC1 1458a_100000210174_100000763275 [1,0,0,1,0,0|2,0,0]=4 7302 B9R1.79 O=C(CO)NC1CCC1 240690a_100000749019_100000210174 [1,0,0,1,0,0|2,0,0]=4 7303 B9R1.79 O=C(CO)NC1CCC1 527a_100000749019_100000210174 [1,0,0,1,0,0|2,0,0]=4 7304 B9R1.80 CCC(=O)C=CC1CC1 1458a_100102529529_100000210202 [1,0,0,1,0,0|1,0,1]=4 7305 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [1,0,0,1,0,0|1,0,0]=3 7306 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [1,0,0,1,0,0|1,0,0]=3 7307 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [1,0,0,1,0,0|2,0,0]=4 7308 B9R1.80 CCC(=O)COC1CC1 34a_100000725409_100000211595 [1,0,0,1,0,0|2,0,0]=4 7309 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [1,0,0,1,0,0|2,0,0]=4 7310 B9R1.80 CCC(=O)NCC1CC1 11a_100000735609_100000210414 [1,0,0,1,0,0|1,0,0]=3 7311 B9R1.80 CCC(=O)NCC1CC1 1626a_100000735609_100000210414 [1,0,0,1,0,0|1,0,0]=3 7312 B9R1.80 CCC(=O)NCC1CC1 240690a_100000735609_100000210414 [1,0,0,1,0,0|1,0,0]=3 7313 B9R1.80 CCC(=O)NCC1CC1 527a_100000735609_100000210414 [1,0,0,1,0,0|1,0,0]=3 7314 B9R1.80 CCC(=O)NNC1CC1 22a_100000701032_100000210414 [1,0,0,1,0,0|2,0,0]=4 7315 B9R1.80 CCC(C)OCC1CC1 34a_100000211283_100011215416 [1,0,0,1,0,0|1,0,1]=4 7316 B9R1.80 CCC(C)OCC1CC1 7a_100000210228_100000742324 [1,0,0,1,0,0|1,0,1]=4 7317 B9R1.80 CNC(=O)CCC1CC1 11a_106832991635_100000756386 [1,0,0,1,0,0|2,0,0]=4 7318 B9R1.80 CNC(=O)CCC1CC1 1626a_100102657272_100000756386 [1,0,0,1,0,0|2,0,0]=4 7319 B9R1.80 CNC(=O)CCC1CC1 240690a_100102657272_100000756386 [1,0,0,1,0,0|2,0,0]=4 7320 B9R1.80 CNC(=O)CCC1CC1 527a_100102657272_100000756386 [1,0,0,1,0,0|2,0,0]=4 7321 B9R1.80 CNC(=O)NCC1CC1 2708a_100000735609_106832991635 [1,0,0,1,0,0|2,0,0]=4 7322 B9R1.80 CNC(=O)NCC1CC1 2708a_100102657272_100000735609 [1,0,0,1,0,0|2,0,0]=4 7323 B9R1.80 CNC(=O)NCC1CC1 273464a_100000735609_100102657272 [1,0,0,1,0,0|2,0,0]=4 7324 B9R1.80 CNC(=O)NCC1CC1 273464a_100102657272_100000735609 [1,0,0,1,0,0|2,0,0]=4 7325 B9R1.80 CNC(=O)NCC1CC1 512a_100000735609_100102657272 [1,0,0,1,0,0|2,0,0]=4 7326 B9R1.80 CNC(=O)NCC1CC1 512a_106832991638_100000735609 [1,0,0,1,0,0|2,0,0]=4 7327 B9R1.80 O=C(CF)CCC1CC1 1458a_100000756386_100015361967 [1,0,0,1,0,0|2,0,0]=4 7328 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [1,0,0,1,0,0|2,0,0]=4 7329 B9R1.80 O=C(CO)NCC1CC1 240690a_100000735609_100000210174 [1,0,0,1,0,0|2,0,0]=4 7330 B9R1.80 O=C(CO)NCC1CC1 527a_100000735609_100000210174 [1,0,0,1,0,0|2,0,0]=4 7331 B9R1.81 CC1CCN1C(=O)CO 240690a_100000755817_100000210174 [1,0,0,1,0,0|2,0,0]=4 7332 B9R1.81 CC1CCN1C(=O)CO 527a_100000755817_100000210174 [1,0,0,1,0,0|2,0,0]=4 7333 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [1,0,0,1,0,0|1,0,0]=3 7334 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [1,0,0,1,0,0|1,0,0]=3 7335 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [1,0,0,1,0,0|1,0,0]=3 7336 B9R1.81 CNC(=O)N1CCC1C 2708a_100102657272_100000755817 [1,0,0,1,0,0|2,0,0]=4 7337 B9R1.81 CNC(=O)N1CCC1C 273464a_100102657272_100000755817 [1,0,0,1,0,0|2,0,0]=4 7338 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [1,0,0,1,0,0|1,0,0]=3 7339 B9R1.88 CCC1CC1C(=O)CF 1458a_200011661523_100015361967 [1,0,0,1,0,0|2,0,0]=4 7340 B9R1.88 CCC1CC1C(=O)NC 11a_106832991635_200011661523 [1,0,0,1,0,0|2,0,0]=4 7341 B9R1.88 CCC1CC1C(=O)NC 1626a_100102657272_200011661523 [1,0,0,1,0,0|2,0,0]=4 7342 B9R1.88 CCC1CC1C(=O)NC 240690a_100102657272_200011661523 [1,0,0,1,0,0|2,0,0]=4 7343 B9R1.88 CCC1CC1C(=O)NC 527a_100102657272_200011661523 [1,0,0,1,0,0|2,0,0]=4 7344 B9R1.99 CCCCOC1(CC1)C 7a_100011725673_100000210211 [1,0,0,1,0,0|1,0,1]=4 7345 B9R1.6 CC(C)N1CC=CCC1 2230a_100000698166_100000210206 [1,0,0,1,0,0|2,0,0]=4 7346 B9R1.6 CC(C)N1CC=CCC1 269982a_100000698166_100000210206 [1,0,0,1,0,0|2,0,0]=4 7347 B9R1.6 CC(C)N1CC=CCC1 34a_100000698166_100000210206 [1,0,0,1,0,0|2,0,0]=4 7348 B9R1.6 CC(C)N1CCCOC1 2230a_100000131196_100000210206 [1,0,0,1,0,0|1,0,1]=4 7349 B9R1.6 CC(C)N1CCCOC1 269982a_100000131196_100000210206 [1,0,0,1,0,0|1,0,1]=4 7350 B9R1.6 CC(C)N1CCCOC1 34a_100000131196_100000210206 [1,0,0,1,0,0|1,0,1]=4 7351 B9R1.6 CN(C)C1CCCOC1 269982a_100102631434_100000693364 [1,0,0,1,0,0|1,0,1]=4 7352 B9R1.6 CN(C)C1CCCOC1 270004a_100102631434_100000753404 [1,0,0,1,0,0|1,0,1]=4 7353 B9R1.9 CCCOC1CN(C1)C 269982a_200020626125_200000210301 [1,0,0,1,0,0|1,0,1]=4 7354 B9R1.9 CCCOC1CN(C1)C 34a_200020626125_200000210301 [1,0,0,1,0,0|1,0,1]=4 7355 B9R1.9 CCCOC1CN(C1)[13CH3] 269982a_200020626125_200025704644 [1,0,0,1,0,0|1,0,1]=4 7356 B9R1.9 CCCOC1CN(C1)[13CH3] 34a_200020626125_200025704644 [1,0,0,1,0,0|1,0,1]=4 7357 B9R1.13 CC(C)OC1CCCO1 34a_100000085407_100000210206 [1,0,0,1,0,0|1,0,1]=4 7358 B9R1.13 CN(C)CC1CCCO1 2230a_100102631434_100000203698 [1,0,0,1,0,0|1,0,1]=4 7359 B9R1.13 CN(C)CC1CCCO1 2230a_100102946541_200000210301 [1,0,0,1,0,0|1,0,1]=4 7360 B9R1.13 CN(C)CC1CCCO1 269982a_100102631434_100000183445 [1,0,0,1,0,0|1,0,1]=4 7361 B9R1.13 CN(C)CC1CCCO1 269982a_100102946541_200000210301 [1,0,0,1,0,0|1,0,1]=4 7362 B9R1.13 CN(C)CC1CCCO1 34a_100102946541_200000210301 [1,0,0,1,0,0|1,0,1]=4 7363 B9R1.13 CN([13CH3])CC1CCCO1 2230a_100102946541_200025704644 [1,0,0,1,0,0|1,0,1]=4 7364 B9R1.13 CN([13CH3])CC1CCCO1 269982a_100102946541_200025704644 [1,0,0,1,0,0|1,0,1]=4 7365 B9R1.13 CN([13CH3])CC1CCCO1 34a_100102946541_200025704644 [1,0,0,1,0,0|1,0,1]=4 7366 B9R1.24 CCN1CCCC1(C)C 2230a_100000761399_100000210202 [1,0,0,1,0,0|2,0,0]=4 7367 B9R1.24 CCN1CCCC1(C)C 269982a_100000761399_100000204670 [1,0,0,1,0,0|2,0,0]=4 7368 B9R1.24 CCN1CCCC1(C)C 34a_100000761399_100000210202 [1,0,0,1,0,0|2,0,0]=4 7369 B9R1.77 CCOCC1CC1(C)C 34a_100000728257_100000210202 [1,0,0,1,0,0|2,0,0]=4 7370 B9R1.77 CCOCC1CC1(C)C 7a_100000728257_100000210202 [1,0,0,1,0,0|2,0,0]=4 7371 B9R1.83 BrCCOCCC1CC1 34a_100000211926_100000694398 [1,0,0,1,0,0|1,0,1]=4 7372 B9R1.83 CC/C=C\CNC1CC1 34a_100000212008_100103147603 [1,0,0,1,0,0|2,0,0]=4 7373 B9R1.83 CC/C=C\COC1CC1 34a_100016268518_100000211595 [1,0,0,1,0,0|2,0,0]=4 7374 B9R1.83 CC/C=C\CSC1CC1 62a_100103147603_100000211595 [1,0,0,1,0,0|2,0,0]=4 7375 B9R1.83 CCC=NNCC1CC1 4a_100000736359_100000210100 [1,0,0,1,0,0|2,0,0]=4 7376 B9R1.83 CCCNCCC1CC1 34a_100000764129_100000210303 [1,0,0,1,0,0|1,0,1]=4 7377 B9R1.83 CCCOCCC1CC1 34a_100000210258_100000694398 [1,0,0,1,0,0|0,0,1]=3 7378 B9R1.83 CCCOCCC1CC1 34a_100000754188_100000210303 [1,0,0,1,0,0|0,0,1]=3 7379 B9R1.83 CCCOCCC1CC1 7a_100000754188_100000210303 [1,0,0,1,0,0|0,0,1]=3 7380 B9R1.83 CCCOCCC1CO1 34a_100000210258_100000732470 [1,0,0,1,0,0|1,0,1]=4 7381 B9R1.83 CCCOCC[C@@H]1CO1 34a_100009820653_100000210303 [1,0,0,1,0,0|1,0,1]=4 7382 B9R1.83 CCCSCCC1CC1 62a_100000210303_100000764125 [1,0,0,1,0,0|0,1,1]=4 7383 B9R1.83 CCCSCCC1CC1 62a_100000764125_100000210303 [1,0,0,1,0,0|0,1,1]=4 7384 B9R1.83 CSCOCCC1CC1 34a_100000754188_100011218213 [1,0,0,1,0,0|1,0,1]=4 7385 B9R1.83 FCCOCCC1CC1 34a_100000754188_100011217306 [1,0,0,1,0,0|1,0,1]=4 7386 B9R1.83 FCCOCCC1CC1 7a_100000754188_100011217306 [1,0,0,1,0,0|1,0,1]=4 7387 B9R1.83 NCCOCCC1CC1 34a_100000210304_100000694398 [1,0,0,1,0,0|1,0,1]=4 7388 B9R1.83 OCCOCCC1CC1 34a_100000754188_100000211926 [1,0,0,1,0,0|1,0,1]=4 7389 B9R1.83 OCCOCCC1CC1 7a_100000754188_100000211926 [1,0,0,1,0,0|1,0,1]=4 7390 B9R1.84 CC(C)CCN1CCC1 269982a_100000754969_100000210312 [1,0,0,1,0,0|1,0,1]=4 7391 B9R1.85 CC(Br)CCOC1CC1 34a_100009893172_100000211595 [1,0,0,1,0,0|1,0,1]=4 7392 B9R1.85 CC(C)CCNC1CC1 34a_100000212008_100000210312 [1,0,0,1,0,0|1,0,1]=4 7393 B9R1.85 CC(C)CCOC1CC1 34a_100000210254_100000211595 [1,0,0,1,0,0|0,0,1]=3 7394 B9R1.85 CC(C)CCSC1CC1 62a_100000210312_100000211595 [1,0,0,1,0,0|0,1,1]=4 7395 B9R1.85 C[C@@H](N)CCOC1CC1 34a_100000706166_100000211595 [1,0,0,1,0,0|1,0,1]=4 7396 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [1,0,0,1,0,0|2,0,0]=4 7397 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [1,0,0,1,0,0|2,0,0]=4 7398 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [1,0,0,1,0,0|2,0,0]=4 7399 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [1,0,0,1,0,0|2,0,0]=4 7400 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [1,0,0,1,0,0|2,0,0]=4 7401 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [1,0,0,1,0,0|2,0,0]=4 7402 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [1,0,0,1,0,0|2,0,0]=4 7403 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [1,0,0,1,0,0|2,0,0]=4 7404 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [1,0,0,1,0,0|1,0,0]=3 7405 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [1,0,0,1,0,0|1,0,0]=3 7406 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [1,0,0,1,0,0|1,0,0]=3 7407 B9R1.35 CC(C)N1CNC(=O)C1 2230a_200000708111_100000210206 [1,0,0,1,0,0|2,0,0]=4 7408 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [1,0,0,1,0,0|2,0,0]=4 7409 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [1,0,0,1,0,0|2,0,0]=4 7410 B9R1.53 CC(=O)NC1CC(C1)F 11a_100016993743_100015343762 [1,0,0,1,0,0|2,0,0]=4 7411 B9R1.53 CC(=O)NC1CC(C1)F 1626a_100016993743_100015343762 [1,0,0,1,0,0|2,0,0]=4 7412 B9R1.53 CC(=O)NC1CC(C1)F 240690a_100016993743_100015343762 [1,0,0,1,0,0|2,0,0]=4 7413 B9R1.53 CC(=O)NC1CC(C1)F 527a_100016993743_100103153847 [1,0,0,1,0,0|2,0,0]=4 7414 B9R1.53 CC(=O)NC1CN(C1)C 240690a_100015196640_100015343762 [1,0,0,1,0,0|2,0,0]=4 7415 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100015343762 [1,0,0,1,0,0|2,0,0]=4 7416 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100015343762 [1,0,0,1,0,0|2,0,0]=4 7417 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100015343762 [1,0,0,1,0,0|2,0,0]=4 7418 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100103153847 [1,0,0,1,0,0|2,0,0]=4 7419 B9R1.53 CC(=O)OC1CN(C1)C 269982a_100016994906_200000210301 [1,0,0,1,0,0|1,0,0]=3 7420 B9R1.53 CC(=O)OC1CN(C1)[13CH3] 269982a_100016994906_200025704644 [1,0,0,1,0,0|1,0,0]=3 7421 B9R1.53 CC(C)SC1CC(=O)C1 62a_100009894365_100000210206 [1,0,0,1,0,0|2,0,0]=4 7422 B9R1.53 CN(C)CC1CC(=O)C1 2230a_100102631434_100009874392 [1,0,0,1,0,0|2,0,0]=4 7423 B9R1.53 CN(C)CC1CC(=O)C1 269982a_100102631434_100009874392 [1,0,0,1,0,0|2,0,0]=4 7424 B9R1.10 CC1(CCN(CC1)[13CH3])C 2230a_100000750138_200025704644 [0,0,0,1,1,0|2,0,0]=4 7425 B9R1.10 CC1(CCN(CC1)[13CH3])C 269982a_100000750138_200025704644 [0,0,0,1,1,0|2,0,0]=4 7426 B9R1.10 CN1CCC(CC1)(C)C 2230a_100000750138_200000210301 [0,0,0,1,1,0|2,0,0]=4 7427 B9R1.10 CN1CCC(CC1)(C)C 269982a_100000750138_200000210301 [0,0,0,1,1,0|2,0,0]=4 7428 B9R1.82 C=C1CC(C1)C(=O)CC 1458a_100000065620_100000210202 [0,0,0,1,1,0|0,0,2]=4 7429 B9R1.82 CC1CC(C1)C(=O)CF 1458a_100000686124_100015361967 [0,0,0,1,1,0|1,0,0]=3 7430 B9R1.82 CC1CN(C1)C(=O)CO 240690a_100000702820_100000210174 [0,0,0,1,1,0|2,0,0]=4 7431 B9R1.82 CC1CN(C1)C(=O)CO 527a_100000702820_100000210174 [0,0,0,1,1,0|2,0,0]=4 7432 B9R1.82 CCC(=O)C1CC(C1)C 1458a_100000686124_100000210202 [0,0,0,1,1,0|0,0,0]=2 7433 B9R1.82 CCC(=O)C1CC(C1)F 1458a_100000062598_100000210202 [0,0,0,1,1,0|1,0,0]=3 7434 B9R1.82 CCC(=O)C1CN(C1)C 1458a_100012002723_100000210202 [0,0,0,1,1,0|1,0,0]=3 7435 B9R1.82 CCC(=O)N1CC(C1)C 11a_100000702820_100000210414 [0,0,0,1,1,0|1,0,0]=3 7436 B9R1.82 CCC(=O)N1CC(C1)C 240690a_100000702820_100000210414 [0,0,0,1,1,0|1,0,0]=3 7437 B9R1.82 CCC(=O)N1CC(C1)C 527a_100000702820_100000210414 [0,0,0,1,1,0|1,0,0]=3 7438 B9R1.82 CCC(=O)N1CC(C1)F 11a_100000690557_100000210414 [0,0,0,1,1,0|2,0,0]=4 7439 B9R1.82 CCC(=O)N1CC(C1)F 240690a_100000690557_100000210414 [0,0,0,1,1,0|2,0,0]=4 7440 B9R1.82 CCC(=O)N1CC(C1)F 527a_100000690557_100000210414 [0,0,0,1,1,0|2,0,0]=4 7441 B9R1.82 CCC(=O)N1CC(C1)O 11a_100000749847_100000210414 [0,0,0,1,1,0|2,0,0]=4 7442 B9R1.82 CCC(=O)N1CC(C1)O 240690a_100000749847_100000210414 [0,0,0,1,1,0|2,0,0]=4 7443 B9R1.82 CCC(=O)N1CC(C1)O 527a_100000749847_100000210414 [0,0,0,1,1,0|2,0,0]=4 7444 B9R1.82 CCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210202 [0,0,0,1,1,0|1,0,0]=3 7445 B9R1.82 CN1CC(C1)C(=O)CF 1458a_100012002723_100015361967 [0,0,0,1,1,0|2,0,0]=4 7446 B9R1.82 CNC(=O)C1CC(C1)C 11a_106832991635_100000686124 [0,0,0,1,1,0|1,0,0]=3 7447 B9R1.82 CNC(=O)C1CC(C1)C 1626a_100102657272_100000686124 [0,0,0,1,1,0|1,0,0]=3 7448 B9R1.82 CNC(=O)C1CC(C1)C 240690a_100102657272_100000686124 [0,0,0,1,1,0|1,0,0]=3 7449 B9R1.82 CNC(=O)C1CC(C1)C 527a_100102657272_100000686124 [0,0,0,1,1,0|1,0,0]=3 7450 B9R1.82 CNC(=O)C1CC(C1)F 11a_106832991635_100000062598 [0,0,0,1,1,0|2,0,0]=4 7451 B9R1.82 CNC(=O)C1CC(C1)F 1626a_100102657272_100000062598 [0,0,0,1,1,0|2,0,0]=4 7452 B9R1.82 CNC(=O)C1CC(C1)F 240690a_100102657272_100000062598 [0,0,0,1,1,0|2,0,0]=4 7453 B9R1.82 CNC(=O)C1CC(C1)F 527a_100102657272_100000062598 [0,0,0,1,1,0|2,0,0]=4 7454 B9R1.82 CNC(=O)C1CN(C1)C 240690a_100102657272_100012002723 [0,0,0,1,1,0|2,0,0]=4 7455 B9R1.82 CNC(=O)C1CN(C1)C 34a_100000703363_200000210301 [0,0,0,1,1,0|2,0,0]=4 7456 B9R1.82 CNC(=O)C1CN(C1)[13CH3] 34a_100000703363_200025704644 [0,0,0,1,1,0|2,0,0]=4 7457 B9R1.82 CNC(=O)N1CC(C1)C 2708a_100102657272_100000702820 [0,0,0,1,1,0|2,0,0]=4 7458 B9R1.82 CNC(=O)N1CC(C1)C 273464a_100102657272_100000702820 [0,0,0,1,1,0|2,0,0]=4 7459 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O 240690a_100102657272_100015266633 [0,0,0,1,1,0|2,0,0]=4 7460 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O 527a_100102657272_100015266633 [0,0,0,1,1,0|2,0,0]=4 7461 B9R1.82 COC(=O)C1CN(C1)C 269982a_100015188540_200000210301 [0,0,0,1,1,0|2,0,0]=4 7462 B9R1.82 COC(=O)C1CN(C1)[13CH3] 269982a_100015188540_200025704644 [0,0,0,1,1,0|2,0,0]=4 7463 B9R1.82 O=C(CF)C1CC(C1)F 1458a_100000062598_100015361967 [0,0,0,1,1,0|2,0,0]=4 7464 B9R1.82 O=C(CF)[C@H]1C[C@H](C1)O 1458a_100015266633_100015361967 [0,0,0,1,1,0|2,0,0]=4 7465 B9R1.133 CCN1CCC(C1)(C)C 2230a_100000764714_100000210202 [0,0,0,1,1,0|2,0,0]=4 7466 B9R1.133 CCN1CCC(C1)(C)C 269982a_100000764714_100000204670 [0,0,0,1,1,0|2,0,0]=4 7467 B9R1.138 CC1N(CCC1(C)C)C 2230a_100102837566_200000210301 [0,0,0,1,1,0|2,0,0]=4 7468 B9R1.138 CC1N(CCC1(C)C)C 269982a_100102837566_200000210301 [0,0,0,1,1,0|2,0,0]=4 7469 B9R1.138 CC1N(CCC1(C)C)C 34a_100102837566_200000210301 [0,0,0,1,1,0|2,0,0]=4 7470 B9R1.138 CC1N(CCC1(C)C)[13CH3] 2230a_100102837566_200025704644 [0,0,0,1,1,0|2,0,0]=4 7471 B9R1.138 CC1N(CCC1(C)C)[13CH3] 269982a_100102837566_200025704644 [0,0,0,1,1,0|2,0,0]=4 7472 B9R1.138 CC1N(CCC1(C)C)[13CH3] 34a_100102837566_200025704644 [0,0,0,1,1,0|2,0,0]=4 7473 B9R1.147 CC(C)COC1(CC1)C 7a_100011725673_100000210760 [0,0,0,1,1,0|1,0,1]=4 7474 B9R1.185 CC1(C[C@@H]1C(=O)CF)C 1458a_100000692687_100015361967 [0,0,0,1,1,0|1,0,0]=3 7475 B9R1.185 CCC(=O)C1CC1(F)F 1458a_100000042250_100000210202 [0,0,0,1,1,0|2,0,0]=4 7476 B9R1.185 CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210202 [0,0,0,1,1,0|0,0,0]=2 7477 B9R1.185 CNC(=O)[C@H]1CC1(C)C 11a_106832991635_100000692687 [0,0,0,1,1,0|1,0,0]=3 7478 B9R1.185 CNC(=O)[C@H]1CC1(C)C 1626a_100102657272_100000692687 [0,0,0,1,1,0|1,0,0]=3 7479 B9R1.185 CNC(=O)[C@H]1CC1(C)C 240690a_100102657272_100000692687 [0,0,0,1,1,0|1,0,0]=3 7480 B9R1.185 CNC(=O)[C@H]1CC1(C)C 527a_100102657272_100000692687 [0,0,0,1,1,0|1,0,0]=3 7481 B11R1.20 C=C1CCN(CC1)CC(C)C 2230a_100000752442_100000210760 [0,0,0,1,0,1|2,0,0]=4 7482 B11R1.20 C=C1CCN(CC1)CC(C)C 269982a_100000752442_100000210624 [0,0,0,1,0,1|2,0,0]=4 7483 B11R1.20 C=C1CCN(CC1)CC(C)C 270004a_100000752442_100000210432 [0,0,0,1,0,1|2,0,0]=4 7484 B11R1.20 C=C1CCN(CC1)CC(C)C 34a_100000752442_100000210624 [0,0,0,1,0,1|2,0,0]=4 7485 B11R1.20 CC(C)CN1CCS(=O)CC1 2230a_100000752083_100000210760 [0,0,0,1,0,1|2,0,0]=4 7486 B11R1.20 CC(C)CN1CCS(=O)CC1 269982a_100000752083_100000210624 [0,0,0,1,0,1|2,0,0]=4 7487 B11R1.20 CC(C)CN1CCS(=O)CC1 270004a_100000752083_100000210432 [0,0,0,1,0,1|2,0,0]=4 7488 B11R1.20 CC(C)NC1CCC(=O)NC1 2230a_100000748762_100000210206 [0,0,0,1,0,1|1,0,0]=3 7489 B11R1.20 CC(C)NC1CCC(=O)NC1 34a_100000748762_100000210206 [0,0,0,1,0,1|1,0,0]=3 7490 B11R1.20 CC(C)OC1CCC(=O)CC1 34a_100000764474_100000210206 [0,0,0,1,0,1|1,0,0]=3 7491 B11R1.20 CC(C)OC1CCC(=O)CC1 7a_100000764474_100000210206 [0,0,0,1,0,1|1,0,0]=3 7492 B11R1.20 CC(C)OC1CCC(=O)NC1 34a_100000079199_100000210206 [0,0,0,1,0,1|1,0,0]=3 7493 B11R1.20 CC(C)OC1CNC(=O)NC1 34a_100000080929_100000210206 [0,0,0,1,0,1|2,0,0]=4 7494 B11R1.20 CC1=CCN(CC1)CC(C)C 2230a_100000693516_100000210760 [0,0,0,1,0,1|2,0,0]=4 7495 B11R1.20 CC1=CCN(CC1)CC(C)C 269982a_100000693516_100000210624 [0,0,0,1,0,1|2,0,0]=4 7496 B11R1.20 CC1=CCN(CC1)CC(C)C 270004a_100000693516_100000210432 [0,0,0,1,0,1|2,0,0]=4 7497 B11R1.20 CC1=CCN(CC1)CC(C)C 34a_100000693516_100000210624 [0,0,0,1,0,1|2,0,0]=4 7498 B11R1.23 CC1CCCC(C1)C(=O)CF 1458a_100011215569_100015361967 [0,0,0,1,0,1|2,0,0]=4 7499 B11R1.23 CC1CN(CCO1)C(=O)CO 240690a_100000729577_100000210174 [0,0,0,1,0,1|2,0,0]=4 7500 B11R1.23 CC1CN(CCO1)C(=O)CO 527a_100000729577_100000210174 [0,0,0,1,0,1|2,0,0]=4 7501 B11R1.23 CCC(=O)C1CCCC(C1)C 1458a_100011215569_100000210202 [0,0,0,1,0,1|1,0,0]=3 7502 B11R1.23 CCC(=O)C1CCCC(C1)O 1458a_100000707227_100000210202 [0,0,0,1,0,1|2,0,0]=4 7503 B11R1.23 CCC(=O)C1CCCN(C1)C 1458a_100015257587_100000210202 [0,0,0,1,0,1|2,0,0]=4 7504 B11R1.23 CCC(=O)C1CN(CCO1)C 1458a_100011543126_100000210202 [0,0,0,1,0,1|1,0,0]=3 7505 B11R1.23 CCC(=O)N1CCC=C(C1)C 11a_100000725631_100000210414 [0,0,0,1,0,1|1,0,1]=4 7506 B11R1.23 CCC(=O)N1CCC=C(C1)C 1626a_100000725631_100000210414 [0,0,0,1,0,1|1,0,1]=4 7507 B11R1.23 CCC(=O)N1CCC=C(C1)C 240690a_100000725631_100000210414 [0,0,0,1,0,1|1,0,1]=4 7508 B11R1.23 CCC(=O)N1CCC=C(C1)C 527a_100000725631_100000210414 [0,0,0,1,0,1|1,0,1]=4 7509 B11R1.23 CCC(=O)N1CCCC(C1)F 11a_100000697950_100000210414 [0,0,0,1,0,1|2,0,0]=4 7510 B11R1.23 CCC(=O)N1CCCC(C1)F 1626a_100000697950_100000210414 [0,0,0,1,0,1|2,0,0]=4 7511 B11R1.23 CCC(=O)N1CCCC(C1)F 240690a_100000697950_100000210414 [0,0,0,1,0,1|2,0,0]=4 7512 B11R1.23 CCC(=O)N1CCCC(C1)F 527a_100000697950_100000210414 [0,0,0,1,0,1|2,0,0]=4 7513 B11R1.23 CCC(=O)N1CCCC(C1)O 240690a_100000211013_100000210414 [0,0,0,1,0,1|2,0,0]=4 7514 B11R1.23 CCC(=O)N1CCCC(C1)O 527a_100000211013_100000210414 [0,0,0,1,0,1|2,0,0]=4 7515 B11R1.23 CCC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100000210414 [0,0,0,1,0,1|1,0,0]=3 7516 B11R1.23 CCC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100000210414 [0,0,0,1,0,1|1,0,0]=3 7517 B11R1.23 CCC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100000210414 [0,0,0,1,0,1|1,0,0]=3 7518 B11R1.23 CCC(=O)N1CCOC(C1)C 11a_100000729577_100000210414 [0,0,0,1,0,1|1,0,0]=3 7519 B11R1.23 CCC(=O)N1CCOC(C1)C 1626a_100000729577_100000210414 [0,0,0,1,0,1|1,0,0]=3 7520 B11R1.23 CCC(=O)N1CCOC(C1)C 240690a_100000729577_100000210414 [0,0,0,1,0,1|1,0,0]=3 7521 B11R1.23 CCC(=O)N1CCOC(C1)C 527a_100000729577_100000210414 [0,0,0,1,0,1|1,0,0]=3 7522 B11R1.23 CCC(=O)N1CCOC(C1)O 11a_100000688207_100000210414 [0,0,0,1,0,1|2,0,0]=4 7523 B11R1.23 CCC(=O)N1CCOC(C1)O 240690a_100000688207_100000210414 [0,0,0,1,0,1|2,0,0]=4 7524 B11R1.23 CCC(=O)N1CCOC(C1)O 527a_100000688207_100000210414 [0,0,0,1,0,1|2,0,0]=4 7525 B11R1.23 CN1CCOC(C1)C(=O)CF 1458a_100011543126_100015361967 [0,0,0,1,0,1|2,0,0]=4 7526 B11R1.23 CNC(=O)C1CCCC(C1)C 11a_106832991635_100011215569 [0,0,0,1,0,1|2,0,0]=4 7527 B11R1.23 CNC(=O)C1CCCC(C1)C 1626a_100102657272_100011215569 [0,0,0,1,0,1|2,0,0]=4 7528 B11R1.23 CNC(=O)C1CCCC(C1)C 240690a_100102657272_100011215569 [0,0,0,1,0,1|2,0,0]=4 7529 B11R1.23 CNC(=O)C1CCCC(C1)C 527a_100102657272_100011215569 [0,0,0,1,0,1|2,0,0]=4 7530 B11R1.23 CNC(=O)C1CN(CCO1)C 11a_106832991635_100011543126 [0,0,0,1,0,1|2,0,0]=4 7531 B11R1.23 CNC(=O)C1CN(CCO1)C 240690a_100102657272_100011543126 [0,0,0,1,0,1|2,0,0]=4 7532 B11R1.23 CNC(=O)C1CN(CCO1)C 527a_100102657272_100011543126 [0,0,0,1,0,1|2,0,0]=4 7533 B11R1.23 CNC(=O)N1CCC[C@@H](C1)C 2708a_100102657272_100000717927 [0,0,0,1,0,1|2,0,0]=4 7534 B11R1.23 CNC(=O)N1CCC[C@@H](C1)C 273464a_100102657272_100000717927 [0,0,0,1,0,1|2,0,0]=4 7535 B11R1.23 CNC(=O)N1CCOC(C1)C 2708a_100102657272_100000729577 [0,0,0,1,0,1|2,0,0]=4 7536 B11R1.23 CNC(=O)N1CCOC(C1)C 273464a_100102657272_100000729577 [0,0,0,1,0,1|2,0,0]=4 7537 B11R1.23 COC(=O)C1CN(CCO1)C 2230a_100000751517_200000210301 [0,0,0,1,0,1|2,0,0]=4 7538 B11R1.23 COC(=O)C1CN(CCO1)C 269982a_100000751517_200000210301 [0,0,0,1,0,1|2,0,0]=4 7539 B11R1.23 COC(=O)C1CN(CCO1)C 34a_100000751517_200000210301 [0,0,0,1,0,1|2,0,0]=4 7540 B11R1.23 COC(=O)C1CN(CCO1)[13CH3] 2230a_100000751517_200025704644 [0,0,0,1,0,1|2,0,0]=4 7541 B11R1.23 COC(=O)C1CN(CCO1)[13CH3] 269982a_100000751517_200025704644 [0,0,0,1,0,1|2,0,0]=4 7542 B11R1.23 COC(=O)C1CN(CCO1)[13CH3] 34a_100000751517_200025704644 [0,0,0,1,0,1|2,0,0]=4 7543 B11R1.23 C[C@H]1CCCN(C1)C(=O)CO 240690a_100000717927_100000210174 [0,0,0,1,0,1|2,0,0]=4 7544 B11R1.23 C[C@H]1CCCN(C1)C(=O)CO 527a_100000717927_100000210174 [0,0,0,1,0,1|2,0,0]=4 7545 B11R1.39 CCC(=O)CC1CCN(C1)C 1458a_100000210414_200000690779 [0,0,0,1,0,1|2,0,0]=4 7546 B11R1.39 CCC(=O)CN1CCC(C1)O 269982a_100011215560_100000747405 [0,0,0,1,0,1|2,0,0]=4 7547 B11R1.39 CCC(=O)CN1CC[C@@H](C1)F 269982a_100015203821_100000747405 [0,0,0,1,0,1|2,0,0]=4 7548 B11R1.39 CCC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000747405 [0,0,0,1,0,1|1,0,0]=3 7549 B11R1.39 CCC(=O)NC1CCN(C1)C 1626a_100000744687_100000210414 [0,0,0,1,0,1|2,0,0]=4 7550 B11R1.39 CCC(=O)NC1CCN(C1)C 240690a_100000744687_100000210414 [0,0,0,1,0,1|2,0,0]=4 7551 B11R1.39 CCC(=O)NC1CCN(C1)C 527a_100000744687_100000210414 [0,0,0,1,0,1|2,0,0]=4 7552 B11R1.39 CCC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100000210414 [0,0,0,1,0,1|2,0,0]=4 7553 B11R1.39 CCC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100000210414 [0,0,0,1,0,1|2,0,0]=4 7554 B11R1.39 CCC(C)OC1CCC(C1)C 34a_100000698185_100011215416 [0,0,0,1,0,1|1,0,1]=4 7555 B11R1.39 CNC(=O)CN1CC[C@H](C1)C 2230a_100016987628_100000183359 [0,0,0,1,0,1|2,0,0]=4 7556 B11R1.39 CNC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000183359 [0,0,0,1,0,1|2,0,0]=4 7557 B11R1.39 CNC(=O)CN1CC[C@H](C1)C 34a_100016987628_100000183359 [0,0,0,1,0,1|2,0,0]=4 7558 B11R1.39 COC(=O)CN1CC[C@H](C1)C 2230a_100016987628_100000747449 [0,0,0,1,0,1|2,0,0]=4 7559 B11R1.39 COC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000747449 [0,0,0,1,0,1|2,0,0]=4 7560 B11R1.39 COC(=O)CN1CC[C@H](C1)C 34a_100016987628_100000747449 [0,0,0,1,0,1|2,0,0]=4 7561 B11R1.43 CCC1=NOC(C1)CN(C)C 269982a_100102631434_200009817039 [0,0,0,1,0,1|2,0,0]=4 7562 B11R1.43 CCc1nc(no1)CC(C)C 270196a_100000210173_100000210414 [0,0,0,1,0,1|1,0,1]=4 7563 B11R1.43 CCc1noc(n1)CC(C)C 270196a_200000212204_100000210554 [0,0,0,1,0,1|1,0,1]=4 7564 B11R1.75 CC(Br)COC1COC(=O)O1 34a_100012180447_100000032252 [0,0,0,1,0,1|2,0,0]=4 7565 B11R1.75 CC(C)CCN1CNC(=O)C1 2230a_200000708111_100000210312 [0,0,0,1,0,1|2,0,0]=4 7566 B11R1.75 CC(C)CNC1CNC(=O)C1 2230a_100000697751_100000210760 [0,0,0,1,0,1|2,0,0]=4 7567 B11R1.75 CC(C)CNC1COC(=O)O1 34a_100000210953_100000032252 [0,0,0,1,0,1|1,0,0]=3 7568 B11R1.75 CC(C)COC1CCC(=O)C1 34a_100012614533_100000210624 [0,0,0,1,0,1|1,0,0]=3 7569 B11R1.75 CC(C)COC1CNC(=O)C1 34a_100000690082_100000210624 [0,0,0,1,0,1|2,0,0]=4 7570 B11R1.75 CC(C)COC1COC(=O)O1 34a_100000210257_100000032252 [0,0,0,1,0,1|1,0,0]=3 7571 B11R1.75 CC(C)CSC1COC(=O)O1 62a_100000210624_100000032252 [0,0,0,1,0,1|1,0,0]=3 7572 B11R1.75 CC(C)NCC1CNC(=O)C1 2230a_100016993742_100000210206 [0,0,0,1,0,1|2,0,0]=4 7573 B11R1.75 CC(C)NCC1CNC(=O)C1 34a_100016993742_100000210206 [0,0,0,1,0,1|2,0,0]=4 7574 B11R1.75 CC(C)NCC1CNC(=O)O1 2230a_100138425928_100000181169 [0,0,0,1,0,1|1,0,0]=3 7575 B11R1.75 CC(C)NCC1CNC(=O)O1 34a_100138425928_100000181169 [0,0,0,1,0,1|1,0,0]=3 7576 B11R1.75 CC(C)NCC1COC(=O)O1 34a_100138425928_100000073702 [0,0,0,1,0,1|1,0,0]=3 7577 B11R1.75 CC(C)NC[C@@H]1CCC(=O)N1 2230a_100138425928_100015189358 [0,0,0,1,0,1|1,0,0]=3 7578 B11R1.75 CC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_100000210206 [0,0,0,1,0,1|1,0,0]=3 7579 B11R1.75 CC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_100000210206 [0,0,0,1,0,1|1,0,0]=3 7580 B11R1.75 CC(C)NC[C@H]1COC(=O)N1 2230a_100138425928_100015307671 [0,0,0,1,0,1|2,0,0]=4 7581 B11R1.75 CC(C)NC[C@H]1COC(=O)N1 34a_100138425928_100015307671 [0,0,0,1,0,1|2,0,0]=4 7582 B11R1.75 CC(C)OCC1CCC(=O)N1 34a_100000737831_100000210206 [0,0,0,1,0,1|1,0,0]=3 7583 B11R1.75 CC(C)OCC1CNC(=O)C1 34a_100016041077_100000210206 [0,0,0,1,0,1|2,0,0]=4 7584 B11R1.75 CC(C)OCC1CNC(=O)O1 34a_100000212225_100000181169 [0,0,0,1,0,1|1,0,0]=3 7585 B11R1.75 CC(C)OCC1CNC(=O)O1 34a_100011315639_100000210206 [0,0,0,1,0,1|1,0,0]=3 7586 B11R1.75 CC(C)OCC1COC(=O)O1 34a_100000212225_100000073702 [0,0,0,1,0,1|1,0,0]=3 7587 B11R1.75 CC(C)OC[C@H]1COC(=O)N1 34a_100000212225_100015307671 [0,0,0,1,0,1|2,0,0]=4 7588 B11R1.75 CC(C)SCC1CNC(=O)O1 62a_100000181169_100000210206 [0,0,0,1,0,1|1,0,0]=3 7589 B11R1.75 CC(C)SCC1CNC(=O)O1 62a_100000210206_100000181169 [0,0,0,1,0,1|1,0,0]=3 7590 B11R1.75 CC(C)SCC1COC(=O)O1 62a_100000073702_100000210206 [0,0,0,1,0,1|1,0,0]=3 7591 B11R1.75 CC(C)SCC1COC(=O)O1 62a_100000210206_100000073702 [0,0,0,1,0,1|1,0,0]=3 7592 B11R1.75 CC(C)SC[C@@H]1CCC(=O)N1 62a_100000210206_100015189358 [0,0,0,1,0,1|1,0,0]=3 7593 B11R1.75 CC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_100000210206 [0,0,0,1,0,1|1,0,0]=3 7594 B11R1.75 CC(C)SC[C@H]1COC(=O)N1 62a_100000210206_100015307671 [0,0,0,1,0,1|2,0,0]=4 7595 B11R1.75 CC(C)SC[C@H]1COC(=O)N1 62a_100015307671_100000210206 [0,0,0,1,0,1|2,0,0]=4 7596 B11R1.75 CC(F)COC1COC(=O)O1 34a_100015925927_100000032252 [0,0,0,1,0,1|2,0,0]=4 7597 B11R1.75 CC(O)CNC1COC(=O)O1 34a_100000210904_100000032252 [0,0,0,1,0,1|2,0,0]=4 7598 B11R1.75 CC(O)COC1CCC(=O)C1 34a_100012614533_100011218427 [0,0,0,1,0,1|2,0,0]=4 7599 B11R1.75 CC(O)CSC1COC(=O)O1 62a_100011218427_100000032252 [0,0,0,1,0,1|2,0,0]=4 7600 B11R1.75 C[C@@H](Cl)COC1COC(=O)O1 34a_100016084084_100000032252 [0,0,0,1,0,1|2,0,0]=4 7601 B11R1.75 C[C@@H](N)COC1COC(=O)O1 34a_100000737577_100000032252 [0,0,0,1,0,1|2,0,0]=4 7602 B11R1.75 C[C@@H](O)COC1CCC(=O)C1 34a_100012614533_100009817552 [0,0,0,1,0,1|2,0,0]=4 7603 B11R1.75 C[C@@H](O)CSC1COC(=O)O1 62a_100009817552_100000032252 [0,0,0,1,0,1|2,0,0]=4 7604 B11R1.102 CC(C)CCOCC1CC1C 34a_100000744939_100000210312 [0,0,0,1,0,1|1,0,1]=4 7605 B11R1.102 CC(C)CCOCC1CC1C 7a_100000744939_100000210626 [0,0,0,1,0,1|1,0,1]=4 7606 B11R1.159 CC(C)N1CCNC(=O)C1C 2230a_100000750721_100000210206 [0,0,0,1,0,1|1,0,0]=3 7607 B11R1.159 CC(C)N1CCNC(=O)C1C 269982a_100000750721_100000210206 [0,0,0,1,0,1|1,0,0]=3 7608 B11R1.159 CC(C)N1CCNC(=O)C1C 34a_100000750721_100000210206 [0,0,0,1,0,1|1,0,0]=3 7609 B11R1.161 C=C(C)CCOC1CCC1=O 34a_100000764851_100009892977 [0,0,0,1,0,1|0,0,2]=4 7610 B11R1.161 CC(=CCOC1CCC1=O)C 34a_100000753907_100009892977 [0,0,0,1,0,1|0,0,2]=4 7611 B11R1.161 CC(=O)CCOC1CCC1=O 34a_100000759926_100009892977 [0,0,0,1,0,1|1,0,1]=4 7612 B11R1.161 CC(=O)CCOC1CCC1=O 7a_100000759926_100009892977 [0,0,0,1,0,1|1,0,1]=4 7613 B11R1.161 CC(Br)CCOC1CCC1=O 34a_100009893172_100009892977 [0,0,0,1,0,1|1,0,0]=3 7614 B11R1.161 CC(C)CCOC1CCC1=O 34a_100000210254_100009892977 [0,0,0,1,0,1|0,0,0]=2 7615 B11R1.161 CC(C)CCOC1CCC1=O 7a_100000210254_100009892977 [0,0,0,1,0,1|0,0,0]=2 7616 B11R1.161 CC(C)CCSC1CCC1=O 62a_100000210312_100009892977 [0,0,0,1,0,1|0,1,0]=3 7617 B11R1.161 CC(C)CCSC1CCC1=O 62a_100009892977_100000210312 [0,0,0,1,0,1|0,1,0]=3 7618 B11R1.161 CC(C)NCCC1CCC1=O 2230a_100138425928_200016118888 [0,0,0,1,0,1|1,0,0]=3 7619 B11R1.161 CC(C)OCSC1CCC1=O 62a_100000709892_100009892977 [0,0,0,1,0,1|1,1,0]=4 7620 B11R1.161 CC(C)OCSC1CCC1=O 62a_100009892977_100000709892 [0,0,0,1,0,1|1,1,0]=4 7621 B11R1.161 CC(C)SCCC1CCC1=O 62a_100000210206_200016118888 [0,0,0,1,0,1|1,0,0]=3 7622 B11R1.161 CC(C)SCCC1CCC1=O 62a_200016118888_100000210206 [0,0,0,1,0,1|1,0,0]=3 7623 B11R1.161 CC(O)CCSC1CCC1=O 62a_100009892977_100012276601 [0,0,0,1,0,1|1,1,0]=4 7624 B11R1.161 CC(O)CCSC1CCC1=O 62a_100012276601_100009892977 [0,0,0,1,0,1|1,1,0]=4 7625 B11R1.161 CN(C)CCSC1CCC1=O 62a_100009892977_100000755713 [0,0,0,1,0,1|1,1,0]=4 7626 B11R1.161 C[C@@H](N)CCOC1CCC1=O 34a_100000706166_100009892977 [0,0,0,1,0,1|1,0,0]=3 7627 B11R1.161 O=C1CCC1OCCC(F)F 34a_100103093639_100009892977 [0,0,0,1,0,1|2,0,0]=4 7628 B11R1.174 CC(C)CCCOC1CCC1 34a_100000210774_100000749161 [0,0,0,1,0,1|1,0,1]=4 7629 B11R1.174 CC(C)CCCOC1CCC1 34a_100000748187_100011214892 [0,0,0,1,0,1|1,0,1]=4 7630 B11R1.174 CC(C)CCOCC1CCC1 34a_100000210254_100000763275 [0,0,0,1,0,1|1,0,1]=4 7631 B11R1.174 CC(C)CCOCC1CCC1 34a_100000760304_100000210312 [0,0,0,1,0,1|1,0,1]=4 7632 B11R1.174 CC(C)CCOCC1CCC1 7a_100000210254_100000763275 [0,0,0,1,0,1|1,0,1]=4 7633 B11R1.174 CC(C)CCOCC1CCO1 34a_100000039022_100000210312 [0,0,0,1,0,1|0,0,2]=4 7634 B11R1.174 CC(C)CCOCC1CCO1 34a_100000210254_100000103362 [0,0,0,1,0,1|0,0,2]=4 7635 B11R1.174 CC(C)CCOCC1CCO1 7a_100000210254_100000103362 [0,0,0,1,0,1|0,0,2]=4 7636 B11R1.174 CC(C)NCCOC1CCC1 34a_100000224655_100000749161 [0,0,0,1,0,1|1,0,1]=4 7637 B11R1.174 CC(C)OCCOC1CCC1 34a_100000211219_100000749161 [0,0,0,1,0,1|1,0,1]=4 7638 B11R1.174 CC(C)OCCOC1CCC1 34a_100000748187_100000211751 [0,0,0,1,0,1|1,0,1]=4 7639 B11R1.174 CC(C)SCCOC1CCC1 34a_100000748187_100000730970 [0,0,0,1,0,1|1,0,1]=4 7640 B11R1.174 CC(C)SCCOC1CCC1 34a_200011212901_100000749161 [0,0,0,1,0,1|1,0,1]=4 7641 B11R1.224 CCC(=O)NCC1CC(C1)O 11a_100016992100_100000210414 [0,0,0,1,0,1|2,0,0]=4 7642 B11R1.224 CCC(=O)NCC1CC(C1)O 240690a_100016992100_100000210414 [0,0,0,1,0,1|2,0,0]=4 7643 B11R1.224 CCC(=O)NCC1CN(C1)C 240690a_100000723568_100000210414 [0,0,0,1,0,1|2,0,0]=4 7644 B11R1.224 CNC(=O)CCN1CC(C1)C 2230a_100000702820_100000737683 [0,0,0,1,0,1|2,0,0]=4 7645 B11R1.224 CNC(=O)CCN1CC(C1)C 269982a_100000702820_100000737683 [0,0,0,1,0,1|2,0,0]=4 7646 B11R1.224 CNC(=O)CCN1CC(C1)C 34a_100000702820_100012179268 [0,0,0,1,0,1|2,0,0]=4 7647 B11R1.224 COC(=O)CCN1CC(C1)C 2230a_100000702820_100000204255 [0,0,0,1,0,1|2,0,0]=4 7648 B11R1.224 COC(=O)CCN1CC(C1)C 269982a_100000702820_100000204255 [0,0,0,1,0,1|2,0,0]=4 7649 B11R1.224 COC(=O)CCN1CC(C1)C 34a_100000702820_100000742370 [0,0,0,1,0,1|2,0,0]=4 7650 B11R1.227 CC1(CCCN1C(=O)CO)C 240690a_100000761399_100000210174 [0,0,0,1,0,1|2,0,0]=4 7651 B11R1.227 CC1(CCCN1C(=O)CO)C 527a_100000761399_100000210174 [0,0,0,1,0,1|2,0,0]=4 7652 B11R1.227 CC1(COCN1C(=O)CO)C 240690a_100000043020_100000210174 [0,0,0,1,0,1|2,0,0]=4 7653 B11R1.227 CC1(SCCN1C(=O)CO)C 240690a_100011217261_100000210174 [0,0,0,1,0,1|2,0,0]=4 7654 B11R1.227 CC1(SCCN1C(=O)CO)C 527a_100011217261_100000210174 [0,0,0,1,0,1|2,0,0]=4 7655 B11R1.227 CCC(=O)N1CCCC1(C)C 11a_100000761399_100000210414 [0,0,0,1,0,1|1,0,0]=3 7656 B11R1.227 CCC(=O)N1CCCC1(C)C 1626a_100000761399_100000210414 [0,0,0,1,0,1|1,0,0]=3 7657 B11R1.227 CCC(=O)N1CCCC1(C)C 240690a_100000761399_100000210414 [0,0,0,1,0,1|1,0,0]=3 7658 B11R1.227 CCC(=O)N1CCCC1(C)C 527a_100000761399_100000210414 [0,0,0,1,0,1|1,0,0]=3 7659 B11R1.227 CCC(=O)N1CCSC1(C)C 11a_100011217261_100000210414 [0,0,0,1,0,1|1,0,0]=3 7660 B11R1.227 CCC(=O)N1CCSC1(C)C 1626a_100011217261_100000210414 [0,0,0,1,0,1|1,0,0]=3 7661 B11R1.227 CCC(=O)N1CCSC1(C)C 240690a_100011217261_100000210414 [0,0,0,1,0,1|1,0,0]=3 7662 B11R1.227 CCC(=O)N1CCSC1(C)C 527a_100011217261_100000210414 [0,0,0,1,0,1|1,0,0]=3 7663 B11R1.227 CCC(=O)N1COCC1(C)C 1626a_100000043020_100000210414 [0,0,0,1,0,1|1,0,0]=3 7664 B11R1.227 CCC(=O)N1COCC1(C)C 240690a_100000043020_100000210414 [0,0,0,1,0,1|1,0,0]=3 7665 B11R1.227 CCC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_100000210202 [0,0,0,1,0,1|2,0,0]=4 7666 B11R1.227 CNC(=O)N1CCCC1(C)C 2708a_100102657272_100000761399 [0,0,0,1,0,1|2,0,0]=4 7667 B11R1.227 CNC(=O)N1CCCC1(C)C 273464a_100102657272_100000761399 [0,0,0,1,0,1|2,0,0]=4 7668 B11R1.227 CNC(=O)N1CCSC1(C)C 2708a_100102657272_100011217261 [0,0,0,1,0,1|2,0,0]=4 7669 B11R1.227 CNC(=O)N1CCSC1(C)C 273464a_100102657272_100011217261 [0,0,0,1,0,1|2,0,0]=4 7670 B11R1.227 CNC(=O)N1COCC1(C)C 273464a_100102657272_100000043020 [0,0,0,1,0,1|2,0,0]=4 7671 B11R1.235 CCC(=O)COCC1CC1C 7a_100000744939_100000747405 [0,0,0,1,0,1|0,0,0]=2 7672 B11R1.235 CCC(C)COCC1CC1C 34a_100000744939_100000748023 [0,0,0,1,0,1|1,0,1]=4 7673 B11R1.235 CCC(C)COCC1CC1C 7a_100000744939_100000748023 [0,0,0,1,0,1|1,0,1]=4 7674 B11R1.235 CCC(O)COCC1CC1C 34a_100000744939_100011218378 [0,0,0,1,0,1|0,0,2]=4 7675 B11R1.235 CCC(O)COCC1CC1C 7a_100000744939_100011218378 [0,0,0,1,0,1|0,0,2]=4 7676 B11R1.235 CC[C@H](C)COCC1CC1C 34a_100000744939_100009816398 [0,0,0,1,0,1|1,0,1]=4 7677 B11R1.235 CC[C@H](C)COCC1CC1C 7a_100000744939_100009816398 [0,0,0,1,0,1|1,0,1]=4 7678 B11R1.235 CNC(=O)COCC1CC1C 34a_100000744939_100000183359 [0,0,0,1,0,1|1,0,0]=3 7679 B11R1.235 CNC(=O)COCC1CC1C 7a_100000744939_100000183359 [0,0,0,1,0,1|1,0,0]=3 7680 B11R1.235 COC(=O)COCC1CC1C 34a_100000744939_100000747449 [0,0,0,1,0,1|1,0,0]=3 7681 B11R1.235 COC(=O)COCC1CC1C 7a_100000744939_100000747449 [0,0,0,1,0,1|1,0,0]=3 7682 B11R1.237 C=CC(=O)OCCNC1CC1 34a_100000212008_100009813456 [0,0,0,1,0,1|0,0,2]=4 7683 B11R1.237 C=CC(=O)OCCSC1CC1 62a_100009813456_100000211595 [0,0,0,1,0,1|0,0,2]=4 7684 B11R1.237 CCC(=O)COCCC1CC1 34a_100000725409_100000694398 [0,0,0,1,0,1|0,0,0]=2 7685 B11R1.237 CCC(=O)COCCC1CC1 7a_100000754188_100000747405 [0,0,0,1,0,1|0,0,0]=2 7686 B11R1.237 CCC(=O)COCCC1CO1 34a_100000725409_100000732470 [0,0,0,1,0,1|1,0,0]=3 7687 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000747405_100000764125 [0,0,0,1,0,1|0,1,0]=3 7688 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000764125_100000747405 [0,0,0,1,0,1|0,1,0]=3 7689 B11R1.237 CCC(=O)CSCCC1CO1 62a_100000732470_100000747405 [0,0,0,1,0,1|1,1,0]=4 7690 B11R1.237 CCC(=O)CSCCC1CO1 62a_100000747405_100000732470 [0,0,0,1,0,1|1,1,0]=4 7691 B11R1.237 CCC(=O)NCCNC1CC1 34a_100132302217_100000211595 [0,0,0,1,0,1|1,0,0]=3 7692 B11R1.237 CCC(=O)NCCOC1CC1 34a_200000158885_100000211595 [0,0,0,1,0,1|1,0,0]=3 7693 B11R1.237 CCC(C)COCCC1CC1 34a_100000754188_100000748023 [0,0,0,1,0,1|1,0,1]=4 7694 B11R1.237 CCC(C)COCCC1CC1 7a_100000754188_100000748023 [0,0,0,1,0,1|1,0,1]=4 7695 B11R1.237 CCC(C)OCCNC1CC1 34a_100000738766_100011215416 [0,0,0,1,0,1|1,0,1]=4 7696 B11R1.237 CCC(O)COCCC1CC1 34a_100000754188_100011218378 [0,0,0,1,0,1|0,0,2]=4 7697 B11R1.237 CCC(O)COCCC1CC1 7a_100000754188_100011218378 [0,0,0,1,0,1|0,0,2]=4 7698 B11R1.237 CC[C@H](C)COCCC1CC1 34a_100000754188_100009816398 [0,0,0,1,0,1|1,0,1]=4 7699 B11R1.237 CC[C@H](C)COCCC1CC1 7a_100000754188_100009816398 [0,0,0,1,0,1|1,0,1]=4 7700 B11R1.237 CC[C@H](C)COCCC1CC1 7a_100009816381_100000764125 [0,0,0,1,0,1|1,0,1]=4 7701 B11R1.237 CNC(=O)CCCNC1CC1 34a_100000212008_100000741757 [0,0,0,1,0,1|2,0,0]=4 7702 B11R1.237 CNC(=O)CCCNC1CC1 34a_100000740002_100000211595 [0,0,0,1,0,1|2,0,0]=4 7703 B11R1.237 CNC(=O)CCCSC1CC1 62a_100000741757_100000211595 [0,0,0,1,0,1|2,0,0]=4 7704 B11R1.237 CNC(=O)CCNCC1CC1 2230a_100000735609_100000737683 [0,0,0,1,0,1|2,0,0]=4 7705 B11R1.237 CNC(=O)CCNCC1CC1 2230a_100000738227_100000742324 [0,0,0,1,0,1|2,0,0]=4 7706 B11R1.237 CNC(=O)CCNCC1CC1 269862a_100000738227_100000741477 [0,0,0,1,0,1|2,0,0]=4 7707 B11R1.237 CNC(=O)CCNCC1CC1 34a_100000735609_100012179268 [0,0,0,1,0,1|2,0,0]=4 7708 B11R1.237 CNC(=O)CCNCC1CC1 34a_100000738227_100000742324 [0,0,0,1,0,1|2,0,0]=4 7709 B11R1.237 CNC(=O)CCOCC1CC1 34a_100000211283_100012179268 [0,0,0,1,0,1|2,0,0]=4 7710 B11R1.237 CNC(=O)CCOCC1CC1 34a_100000754576_100000742324 [0,0,0,1,0,1|2,0,0]=4 7711 B11R1.237 CNC(=O)CCSCC1CC1 62a_100000737683_100000742324 [0,0,0,1,0,1|2,0,0]=4 7712 B11R1.237 CNC(=O)CCSCC1CC1 62a_100000756562_100000737683 [0,0,0,1,0,1|2,0,0]=4 7713 B11R1.237 CNC(=O)CNCCC1CC1 2230a_100000693194_100000694398 [0,0,0,1,0,1|2,0,0]=4 7714 B11R1.237 CNC(=O)CNCCC1CC1 34a_100000764129_100000183359 [0,0,0,1,0,1|2,0,0]=4 7715 B11R1.237 CNC(=O)COCCC1CC1 34a_100000750040_100000694398 [0,0,0,1,0,1|1,0,0]=3 7716 B11R1.237 CNC(=O)COCCC1CC1 34a_100000754188_100000183359 [0,0,0,1,0,1|1,0,0]=3 7717 B11R1.237 CNC(=O)COCCC1CC1 7a_100000754188_100000183359 [0,0,0,1,0,1|1,0,0]=3 7718 B11R1.237 CNC(=O)COCCC1CO1 34a_100000750040_100000732470 [0,0,0,1,0,1|2,0,0]=4 7719 B11R1.237 CNC(=O)COCC[C@@H]1CO1 34a_100009820653_100000183359 [0,0,0,1,0,1|2,0,0]=4 7720 B11R1.237 CNC(=O)CSCCC1CC1 62a_100000183359_100000764125 [0,0,0,1,0,1|1,1,0]=4 7721 B11R1.237 CNC(=O)CSCCC1CC1 62a_100000764125_100000183359 [0,0,0,1,0,1|1,1,0]=4 7722 B11R1.237 CNC(=O)NCCNC1CC1 34a_100015205895_100000211595 [0,0,0,1,0,1|2,0,0]=4 7723 B11R1.237 CNC(=O)OCCNC1CC1 34a_100000212008_200011997002 [0,0,0,1,0,1|1,0,0]=3 7724 B11R1.237 CNC(=O)OCCSC1CC1 62a_200011997002_100000211595 [0,0,0,1,0,1|1,0,0]=3 7725 B11R1.237 COC(=O)CCCNC1CC1 34a_100000212008_100000742333 [0,0,0,1,0,1|2,0,0]=4 7726 B11R1.237 COC(=O)CCCSC1CC1 62a_100011218270_100000211595 [0,0,0,1,0,1|2,0,0]=4 7727 B11R1.237 COC(=O)CCNCC1CC1 2230a_100000735609_100000204255 [0,0,0,1,0,1|2,0,0]=4 7728 B11R1.237 COC(=O)CCNCC1CC1 34a_100000735609_100000742370 [0,0,0,1,0,1|2,0,0]=4 7729 B11R1.237 COC(=O)CCOCC1CC1 34a_100000211283_100000742370 [0,0,0,1,0,1|2,0,0]=4 7730 B11R1.237 COC(=O)CCSCC1CC1 62a_100000204255_100000742324 [0,0,0,1,0,1|2,0,0]=4 7731 B11R1.237 COC(=O)CCSCC1CC1 62a_100000756562_100000204255 [0,0,0,1,0,1|2,0,0]=4 7732 B11R1.237 COC(=O)CNCCC1CC1 34a_100000764129_100000747449 [0,0,0,1,0,1|2,0,0]=4 7733 B11R1.237 COC(=O)COCCC1CC1 34a_100000754188_100000747449 [0,0,0,1,0,1|1,0,0]=3 7734 B11R1.237 COC(=O)COCCC1CC1 7a_100000754188_100000747449 [0,0,0,1,0,1|1,0,0]=3 7735 B11R1.237 COC(=O)COCC[C@@H]1CO1 34a_100009820653_100000747449 [0,0,0,1,0,1|2,0,0]=4 7736 B11R1.237 COC(=O)CSCCC1CC1 62a_100000747449_100000764125 [0,0,0,1,0,1|1,1,0]=4 7737 B11R1.237 COC(=O)CSCCC1CC1 62a_100000764125_100000747449 [0,0,0,1,0,1|1,1,0]=4 7738 B11R1.237 COC(=O)NCCOC1CC1 34a_100000757965_100000211595 [0,0,0,1,0,1|2,0,0]=4 7739 B11R1.237 COC(=O)OCCOC1CC1 34a_100010262106_100000211595 [0,0,0,1,0,1|1,0,0]=3 7740 B11R1.237 COC(=O)OCSCC1CC1 62a_100000756562_100000139417 [0,0,0,1,0,1|1,0,0]=3 7741 B11R1.237 COC(=O)OCSCC1CO1 62a_102125554688_100000139417 [0,0,0,1,0,1|2,0,0]=4 7742 B11R1.237 COC(=O)OCSCC1CS1 62a_100000031435_100000139417 [0,0,0,1,0,1|2,0,0]=4 7743 B11R1.237 COC(=O)OCSC[C@@H]1CO1 62a_100000745022_100000139417 [0,0,0,1,0,1|2,0,0]=4 7744 B11R1.266 CCC1CN(CCO1)C(C)C 2230a_100000736320_100000210206 [0,0,0,1,0,1|1,0,1]=4 7745 B11R1.266 CCC1CN(CCO1)C(C)C 269982a_100000736320_100000210206 [0,0,0,1,0,1|1,0,1]=4 7746 B11R1.266 CCC1CN(CCO1)C(C)C 34a_100000736320_100000210206 [0,0,0,1,0,1|1,0,1]=4 7747 B11R1.565 CC(C)N1CCNC(=O)CC1 2230a_100000698595_100000210206 [0,0,0,1,0,1|1,0,0]=3 7748 B11R1.565 CC(C)N1CCNC(=O)CC1 269982a_100000698595_100000210206 [0,0,0,1,0,1|1,0,0]=3 7749 B11R1.717 CC(C)CCCOC1(CC1)C 7a_100011725673_100011214892 [0,0,0,1,0,1|1,0,1]=4 7750 B11R1.717 CC(C)CCOCC1(CC1)C 7a_100000698024_100000210626 [0,0,0,1,0,1|1,0,1]=4 7751 B11R1.717 CC(C)CCOCC1(CC1)F 34a_200000703853_100000210312 [0,0,0,1,0,1|1,0,1]=4 7752 B11R1.717 CC(C)CCOCC1(CC1)F 7a_200000703853_100000210626 [0,0,0,1,0,1|1,0,1]=4 7753 B11R1.717 CC(C)OCCOC1(CC1)C 7a_100011725673_100000211751 [0,0,0,1,0,1|1,0,1]=4 7754 B11R1.717 CC(C)SCCOC1(CC1)C 7a_100011725673_100000730970 [0,0,0,1,0,1|1,0,1]=4 7755 B11R1.849 COC(=O)C1CN1CC(C)C 2230a_200009830135_100000210760 [0,0,0,1,0,1|2,0,0]=4 7756 B11R1.849 COC(=O)C1CN1CC(C)C 270004a_200009830135_100000210432 [0,0,0,1,0,1|2,0,0]=4 7757 B11R1.858 CCC(C)OCC1CC1(C)C 34a_100000728257_100011215416 [0,0,0,1,0,1|1,0,1]=4 7758 B11R1.858 CCC(C)OCC1CC1(C)C 7a_100000728257_100000758301 [0,0,0,1,0,1|1,0,1]=4 7759 B11R1.858 CCC(C)OCC1OC1(C)C 34a_200010283642_100011215416 [0,0,0,1,0,1|1,0,1]=4 7760 B11R1.858 CCC(C)OCC1OC1(C)C 7a_200010283642_100000758301 [0,0,0,1,0,1|1,0,1]=4 7761 B11R1.870 COC(=O)[C@@H]1CCN1C(C)C 2230a_102516456887_100000210206 [0,0,0,1,0,1|2,0,0]=4 7762 B11R1.870 COC(=O)[C@@H]1CCN1C(C)C 269982a_102516456887_100000210206 [0,0,0,1,0,1|2,0,0]=4 7763 B11R1.15 C#CCC(=O)N1CC[C@H](C1)C 527a_100016987628_100011220946 [0,1,0,1,0,0|1,0,1]=4 7764 B11R1.15 C=CCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210193 [0,1,0,1,0,0|1,0,1]=4 7765 B11R1.15 C=CCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210193 [0,1,0,1,0,0|1,0,1]=4 7766 B11R1.15 C=CCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210193 [0,1,0,1,0,0|1,0,1]=4 7767 B11R1.15 CC=CC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210699 [0,1,0,1,0,0|1,0,1]=4 7768 B11R1.15 CC=CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210699 [0,1,0,1,0,0|1,0,1]=4 7769 B11R1.15 CCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210303 [0,1,0,1,0,0|2,0,0]=4 7770 B11R1.15 CCCC(=O)C1CCN(C1)C 1458a_100000739633_100000210303 [0,1,0,1,0,0|2,0,0]=4 7771 B11R1.15 CCCC(=O)N1CCC(C1)O 240690a_100011215560_100000211992 [0,1,0,1,0,0|2,0,0]=4 7772 B11R1.15 CCCC(=O)N1CCC(C1)O 527a_100011215560_100000211992 [0,1,0,1,0,0|2,0,0]=4 7773 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000211992 [0,1,0,1,0,0|2,0,0]=4 7774 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000211992 [0,1,0,1,0,0|2,0,0]=4 7775 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000211992 [0,1,0,1,0,0|2,0,0]=4 7776 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000211992 [0,1,0,1,0,0|2,0,0]=4 7777 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000211992 [0,1,0,1,0,0|1,0,0]=3 7778 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000211992 [0,1,0,1,0,0|1,0,0]=3 7779 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000211992 [0,1,0,1,0,0|1,0,0]=3 7780 B11R1.15 CCNC(=O)C1CCC(C1)O 240690a_100015525214_100000688591 [0,1,0,1,0,0|2,0,0]=4 7781 B11R1.15 CCNC(=O)C1CCN(C1)C 240690a_100015525214_100000739633 [0,1,0,1,0,0|2,0,0]=4 7782 B11R1.15 CCNC(=O)C1CCN(C1)C 527a_100015525214_100000739633 [0,1,0,1,0,0|2,0,0]=4 7783 B11R1.15 CCNC(=O)N1CCC(C1)O 2708a_100015525214_100011215560 [0,1,0,1,0,0|2,0,0]=4 7784 B11R1.15 CCNC(=O)N1CCC(C1)O 273464a_100015525214_100011215560 [0,1,0,1,0,0|2,0,0]=4 7785 B11R1.15 CCNC(=O)N1CC[C@@H](C1)F 2708a_100015525214_100015203821 [0,1,0,1,0,0|2,0,0]=4 7786 B11R1.15 CCNC(=O)N1CC[C@@H](C1)F 273464a_100015525214_100015203821 [0,1,0,1,0,0|2,0,0]=4 7787 B11R1.15 CCNC(=O)N1CC[C@H](C1)C 2708a_100015525214_100016987628 [0,1,0,1,0,0|1,0,0]=3 7788 B11R1.15 CCNC(=O)N1CC[C@H](C1)C 273464a_100015525214_100016987628 [0,1,0,1,0,0|1,0,0]=3 7789 B11R1.15 CCOC(=O)C1CCN(C1)C 2230a_100016987290_200000210301 [0,1,0,1,0,0|2,0,0]=4 7790 B11R1.15 CCOC(=O)C1CCN(C1)C 269982a_100016987290_200000210301 [0,1,0,1,0,0|2,0,0]=4 7791 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 2230a_100016987290_200025704644 [0,1,0,1,0,0|2,0,0]=4 7792 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 269982a_100016987290_200025704644 [0,1,0,1,0,0|2,0,0]=4 7793 B11R1.15 CN1CCC(C1)C(=O)CCF 1458a_100000739633_100011217306 [0,1,0,1,0,0|2,0,0]=4 7794 B11R1.15 CN1CCC(C1)C(=O)CCO 1458a_100000739633_100000211926 [0,1,0,1,0,0|2,0,0]=4 7795 B11R1.15 COCC(=O)N1CCC(C1)O 240690a_100011215560_100000210968 [0,1,0,1,0,0|2,0,0]=4 7796 B11R1.15 COCC(=O)N1CCC(C1)O 527a_100011215560_100000210968 [0,1,0,1,0,0|2,0,0]=4 7797 B11R1.15 COCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000210968 [0,1,0,1,0,0|2,0,0]=4 7798 B11R1.15 COCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000210968 [0,1,0,1,0,0|2,0,0]=4 7799 B11R1.15 COCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000210968 [0,1,0,1,0,0|2,0,0]=4 7800 B11R1.15 COCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000210968 [0,1,0,1,0,0|2,0,0]=4 7801 B11R1.15 COCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210968 [0,1,0,1,0,0|1,0,0]=3 7802 B11R1.15 COCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210968 [0,1,0,1,0,0|1,0,0]=3 7803 B11R1.15 COCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210968 [0,1,0,1,0,0|1,0,0]=3 7804 B11R1.15 CSCC(=O)N1CCC(C1)O 240690a_100011215560_100000184570 [0,1,0,1,0,0|2,0,0]=4 7805 B11R1.15 CSCC(=O)N1CCC(C1)O 527a_100011215560_100000184570 [0,1,0,1,0,0|2,0,0]=4 7806 B11R1.15 CSCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000184570 [0,1,0,1,0,0|2,0,0]=4 7807 B11R1.15 CSCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000184570 [0,1,0,1,0,0|2,0,0]=4 7808 B11R1.15 CSCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000184570 [0,1,0,1,0,0|2,0,0]=4 7809 B11R1.15 CSCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000184570 [0,1,0,1,0,0|2,0,0]=4 7810 B11R1.15 CSCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000184570 [0,1,0,1,0,0|1,0,0]=3 7811 B11R1.15 CSCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000184570 [0,1,0,1,0,0|1,0,0]=3 7812 B11R1.15 CSCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000184570 [0,1,0,1,0,0|1,0,0]=3 7813 B11R1.15 C[C@@H]1CCN(C1)C(=O)CC#N 240690a_100016987628_100051588842 [0,1,0,1,0,0|1,0,1]=4 7814 B11R1.15 C[C@@H]1CCN(C1)C(=O)CCO 240690a_100016987628_100011216618 [0,1,0,1,0,0|1,0,0]=3 7815 B11R1.15 O=C(CCF)C1CCC(C1)O 1458a_100000688591_100011217306 [0,1,0,1,0,0|2,0,0]=4 7816 B11R1.15 O=C(CCO)C1CCC(C1)O 1458a_100000688591_100000211926 [0,1,0,1,0,0|2,0,0]=4 7817 B11R1.15 O=C(CCO)N1CCC(C1)O 240690a_100011215560_100011216618 [0,1,0,1,0,0|2,0,0]=4 7818 B11R1.15 O=C(CCO)N1CC[C@@H](C1)F 240690a_100015203821_100011216618 [0,1,0,1,0,0|2,0,0]=4 7819 B11R1.90 CC(C)CNC1CCCC1=O 2230a_100000210953_100000211823 [0,1,0,1,0,0|2,0,0]=4 7820 B11R1.90 CC(C)CNC1CCCC1=O 34a_100000210953_100000709159 [0,1,0,1,0,0|2,0,0]=4 7821 B11R1.90 CC(C)CNC1CCNC1=O 2230a_100016995588_100000210760 [0,1,0,1,0,0|2,0,0]=4 7822 B11R1.90 CC(C)CNC1CCNC1=O 270004a_100016995588_100000210432 [0,1,0,1,0,0|2,0,0]=4 7823 B11R1.90 CC(C)CNC1CCNC1=O 34a_100016995588_100000210624 [0,1,0,1,0,0|2,0,0]=4 7824 B11R1.90 CC(C)CNC1CCOC1=O 2230a_100000210953_100000211211 [0,1,0,1,0,0|2,0,0]=4 7825 B11R1.90 CC(C)CNC1CCOC1=O 34a_100000210953_100000211211 [0,1,0,1,0,0|2,0,0]=4 7826 B11R1.90 CC(C)COC1CCCC1=O 34a_100000210257_100000709159 [0,1,0,1,0,0|2,0,0]=4 7827 B11R1.90 CC(C)COC1CCCC1=O 34a_200000719330_100000210624 [0,1,0,1,0,0|2,0,0]=4 7828 B11R1.90 CC(C)COC1CCOC1=O 34a_100000210257_100000211211 [0,1,0,1,0,0|2,0,0]=4 7829 B11R1.90 CC(C)CO[C@H]1CCNC1=O 34a_100000688343_100000210624 [0,1,0,1,0,0|2,0,0]=4 7830 B11R1.90 CC(C)CSC1CCCC1=O 62a_100000210624_100000211823 [0,1,0,1,0,0|2,0,0]=4 7831 B11R1.90 CC(C)CSC1CCCC1=O 62a_100000211823_100000210760 [0,1,0,1,0,0|2,0,0]=4 7832 B11R1.90 CC(C)CSC1CCOC1=O 62a_100000210624_100000211211 [0,1,0,1,0,0|2,0,0]=4 7833 B11R1.90 CC(C)CSC1CCOC1=O 62a_100000211211_100000210760 [0,1,0,1,0,0|2,0,0]=4 7834 B11R1.90 CC(C)OCC1=CCCC1=O 34a_100000087531_100000210206 [0,1,0,1,0,0|2,0,0]=4 7835 B11R1.90 CC(C)OCC1CCNC1=O 34a_100000133458_100000210206 [0,1,0,1,0,0|2,0,0]=4 7836 B11R1.90 CC(C)SCN1CCCC1=O 62a_100000026320_100000210206 [0,1,0,1,0,0|2,0,0]=4 7837 B11R1.90 CC(C)SCN1CCCC1=O 62a_100000210206_100000026320 [0,1,0,1,0,0|2,0,0]=4 7838 B11R1.90 CN(C)CCN1CCCC1=O 2230a_100102631434_100000739059 [0,1,0,1,0,0|2,0,0]=4 7839 B11R1.90 CN(C)CCN1CCCC1=O 269982a_100102631434_100000739059 [0,1,0,1,0,0|2,0,0]=4 7840 B11R1.90 CN(C)CCN1CCNC1=O 2230a_100102631434_100000090651 [0,1,0,1,0,0|2,0,0]=4 7841 B11R1.90 CN(C)CCN1CCNC1=O 269982a_100102631434_100000090651 [0,1,0,1,0,0|2,0,0]=4 7842 B11R1.157 CC(C)CN1CCNC(=O)C1 2230a_100000184651_100000210760 [0,1,0,1,0,0|2,0,0]=4 7843 B11R1.157 CC(C)CN1CCNC(=O)C1 270004a_100000184651_100000210432 [0,1,0,1,0,0|2,0,0]=4 7844 B11R1.157 CC(C)CN1CCOC(=O)C1 2230a_100000131268_100000210760 [0,1,0,1,0,0|2,0,0]=4 7845 B11R1.157 CC(C)CN1CCOC(=O)C1 270004a_100000131268_100000210432 [0,1,0,1,0,0|2,0,0]=4 7846 B11R1.157 CC(C)NC1CCNC(=O)C1 2230a_100016994916_100000210206 [0,1,0,1,0,0|2,0,0]=4 7847 B11R1.157 CC(C)NC1CCNC(=O)C1 34a_100016994916_100000210206 [0,1,0,1,0,0|2,0,0]=4 7848 B11R1.157 CC(C)OC1CCCC(=O)C1 34a_100012613340_100000210206 [0,1,0,1,0,0|2,0,0]=4 7849 B11R1.157 CC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_100000210206 [0,1,0,1,0,0|2,0,0]=4 7850 B11R1.172 CC(C)CCOC1CCCC1 34a_100000210254_100000179811 [0,1,0,1,0,0|1,0,1]=4 7851 B11R1.172 CC(C)CCOC1CCCC1 34a_100000210269_100000210312 [0,1,0,1,0,0|1,0,1]=4 7852 B11R1.172 CC(C)CCOC1CCCC1 7a_100000210254_100000179811 [0,1,0,1,0,0|1,0,1]=4 7853 B11R1.172 CC(C)CCOC1CCCC1 7a_100000210269_100000210626 [0,1,0,1,0,0|1,0,1]=4 7854 B11R1.172 CC(C)CCOC1CCCO1 34a_100000085407_100000210312 [0,1,0,1,0,0|0,0,2]=4 7855 B11R1.172 CC(C)CCOC1CCOC1 34a_100000210254_100000690089 [0,1,0,1,0,0|0,0,2]=4 7856 B11R1.172 CC(C)CCOC1CCOC1 7a_100000210254_100000731011 [0,1,0,1,0,0|0,0,2]=4 7857 B11R1.172 CC(C)CCOC1CCSC1 7a_100011232664_100000210626 [0,1,0,1,0,0|0,1,1]=4 7858 B11R1.172 CC(C)CCO[C@H]1CCOC1 34a_100000717292_100000210312 [0,1,0,1,0,0|0,0,2]=4 7859 B11R1.201 CCCC(=O)CN1CC(C1)C 2230a_100000702820_100000747444 [0,1,0,1,0,0|2,0,0]=4 7860 B11R1.201 CCCC(=O)CN1CC(C1)C 269982a_100000702820_100000747444 [0,1,0,1,0,0|2,0,0]=4 7861 B11R1.201 CCCC(=O)NC1CC(C1)F 11a_100016993743_100000211992 [0,1,0,1,0,0|2,0,0]=4 7862 B11R1.201 CCCC(=O)NC1CC(C1)F 1626a_100016993743_100000211992 [0,1,0,1,0,0|2,0,0]=4 7863 B11R1.201 CCCC(=O)NC1CC(C1)F 240690a_100016993743_100000211992 [0,1,0,1,0,0|2,0,0]=4 7864 B11R1.201 CCCC(=O)NC1CC(C1)F 527a_100016993743_100000211992 [0,1,0,1,0,0|2,0,0]=4 7865 B11R1.201 CCCC(=O)NC1CN(C1)C 240690a_100015196640_100000211992 [0,1,0,1,0,0|2,0,0]=4 7866 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000211992 [0,1,0,1,0,0|2,0,0]=4 7867 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000211992 [0,1,0,1,0,0|2,0,0]=4 7868 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000211992 [0,1,0,1,0,0|2,0,0]=4 7869 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000211992 [0,1,0,1,0,0|2,0,0]=4 7870 B11R1.201 CCNC(=O)CN1CC(C1)C 2230a_100000702820_100000183381 [0,1,0,1,0,0|2,0,0]=4 7871 B11R1.201 CCNC(=O)CN1CC(C1)C 269982a_100000702820_100000183381 [0,1,0,1,0,0|2,0,0]=4 7872 B11R1.201 CCNC(=O)CN1CC(C1)C 34a_100000702820_100000183381 [0,1,0,1,0,0|2,0,0]=4 7873 B11R1.201 CCNC(=O)NC1CC(C1)F 2708a_100015525214_100016993743 [0,1,0,1,0,0|2,0,0]=4 7874 B11R1.201 CCNC(=O)NC1CC(C1)F 2708a_100016993743_100015525214 [0,1,0,1,0,0|2,0,0]=4 7875 B11R1.201 CCNC(=O)NC1CC(C1)F 273464a_100015525214_100016993743 [0,1,0,1,0,0|2,0,0]=4 7876 B11R1.201 CCNC(=O)NC1CC(C1)F 273464a_100016993743_100015525214 [0,1,0,1,0,0|2,0,0]=4 7877 B11R1.201 CCNC(=O)NC1CC(C1)F 512a_100015525214_100016993743 [0,1,0,1,0,0|2,0,0]=4 7878 B11R1.201 CCNC(=O)NC1CC(C1)F 512a_100016993743_100015525214 [0,1,0,1,0,0|2,0,0]=4 7879 B11R1.201 CCNC(=O)NC1CN(C1)C 2708a_100015196640_100015525214 [0,1,0,1,0,0|2,0,0]=4 7880 B11R1.201 CCNC(=O)NC1CN(C1)C 2708a_100015525214_100015196640 [0,1,0,1,0,0|2,0,0]=4 7881 B11R1.201 CCNC(=O)NC1CN(C1)C 273464a_100015196640_100015525214 [0,1,0,1,0,0|2,0,0]=4 7882 B11R1.201 CCNC(=O)NC1CN(C1)C 273464a_100015525214_100015196640 [0,1,0,1,0,0|2,0,0]=4 7883 B11R1.201 CCNC(=O)NC1CN(C1)C 512a_100015196640_100015525214 [0,1,0,1,0,0|2,0,0]=4 7884 B11R1.201 CCNC(=O)NC1CN(C1)C 512a_100015525214_100015196640 [0,1,0,1,0,0|2,0,0]=4 7885 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 2708a_100015525214_100020629032 [0,1,0,1,0,0|2,0,0]=4 7886 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100015525214_100020629032 [0,1,0,1,0,0|2,0,0]=4 7887 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100020629032_100015525214 [0,1,0,1,0,0|2,0,0]=4 7888 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100015525214_100020629032 [0,1,0,1,0,0|2,0,0]=4 7889 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100020629032_100015525214 [0,1,0,1,0,0|2,0,0]=4 7890 B11R1.201 CCOC(=O)CN1CC(C1)C 2230a_100000702820_100000188475 [0,1,0,1,0,0|2,0,0]=4 7891 B11R1.201 CCOC(=O)CN1CC(C1)C 269982a_100000702820_100000188475 [0,1,0,1,0,0|2,0,0]=4 7892 B11R1.201 CCOC(=O)CN1CC(C1)C 34a_100000702820_100000188475 [0,1,0,1,0,0|2,0,0]=4 7893 B11R1.201 CN1CC(C1)NC(=O)CCO 240690a_100015196640_100011216618 [0,1,0,1,0,0|2,0,0]=4 7894 B11R1.201 COCC(=O)NC1CC(C1)F 11a_100016993743_100000210968 [0,1,0,1,0,0|2,0,0]=4 7895 B11R1.201 COCC(=O)NC1CC(C1)F 1626a_100016993743_100000210968 [0,1,0,1,0,0|2,0,0]=4 7896 B11R1.201 COCC(=O)NC1CC(C1)F 240690a_100016993743_100000210968 [0,1,0,1,0,0|2,0,0]=4 7897 B11R1.201 COCC(=O)NC1CC(C1)F 527a_100016993743_100000210968 [0,1,0,1,0,0|2,0,0]=4 7898 B11R1.201 COCC(=O)NC1CN(C1)C 240690a_100015196640_100000210968 [0,1,0,1,0,0|2,0,0]=4 7899 B11R1.201 COCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000210968 [0,1,0,1,0,0|2,0,0]=4 7900 B11R1.201 COCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000210968 [0,1,0,1,0,0|2,0,0]=4 7901 B11R1.201 COCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210968 [0,1,0,1,0,0|2,0,0]=4 7902 B11R1.201 COCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000210968 [0,1,0,1,0,0|2,0,0]=4 7903 B11R1.201 CSCC(=O)NC1CC(C1)F 11a_100016993743_100000184570 [0,1,0,1,0,0|2,0,0]=4 7904 B11R1.201 CSCC(=O)NC1CC(C1)F 1626a_100016993743_100000184570 [0,1,0,1,0,0|2,0,0]=4 7905 B11R1.201 CSCC(=O)NC1CC(C1)F 240690a_100016993743_100000184570 [0,1,0,1,0,0|2,0,0]=4 7906 B11R1.201 CSCC(=O)NC1CC(C1)F 527a_100016993743_100000184570 [0,1,0,1,0,0|2,0,0]=4 7907 B11R1.201 CSCC(=O)NC1CN(C1)C 240690a_100015196640_100000184570 [0,1,0,1,0,0|2,0,0]=4 7908 B11R1.201 CSCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000184570 [0,1,0,1,0,0|2,0,0]=4 7909 B11R1.201 CSCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000184570 [0,1,0,1,0,0|2,0,0]=4 7910 B11R1.201 CSCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000184570 [0,1,0,1,0,0|2,0,0]=4 7911 B11R1.201 CSCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000184570 [0,1,0,1,0,0|2,0,0]=4 7912 B11R1.201 O=C(CCO)NC1CC(C1)F 240690a_100016993743_100011216618 [0,1,0,1,0,0|2,0,0]=4 7913 B11R1.201 O=C(CCO)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100011216618 [0,1,0,1,0,0|2,0,0]=4 7914 B11R1.288 CC(CCO)OCC1CC1C 34a_100000744939_100009893172 [0,1,0,1,0,0|1,0,1]=4 7915 B11R1.288 CC(CCO)OCC1CC1C 7a_100000744939_100009893172 [0,1,0,1,0,0|1,0,1]=4 7916 B11R1.288 CCCC(C)OCC1CC1C 34a_100000744939_100000766640 [0,1,0,1,0,0|1,0,1]=4 7917 B11R1.288 CCCC(C)OCC1CC1C 7a_100000744939_100000766640 [0,1,0,1,0,0|1,0,1]=4 7918 B11R1.288 COCC(C)OCC1CC1C 34a_100000744939_100000765312 [0,1,0,1,0,0|1,0,1]=4 7919 B11R1.288 COCC(C)OCC1CC1C 7a_100000744939_100000765312 [0,1,0,1,0,0|1,0,1]=4 7920 B11R1.290 C#CCC(=O)NCCC1CC1 1626a_100000764129_100011220946 [0,1,0,1,0,0|1,0,1]=4 7921 B11R1.290 C#CCC(=O)NCCC1CC1 527a_100000764129_100011220946 [0,1,0,1,0,0|1,0,1]=4 7922 B11R1.290 C=CCC(=O)NCCC1CC1 1626a_100000764129_100000210193 [0,1,0,1,0,0|1,0,1]=4 7923 B11R1.290 C=CCC(=O)NCCC1CC1 240690a_100000764129_100000210193 [0,1,0,1,0,0|1,0,1]=4 7924 B11R1.290 C=CCC(=O)NCCC1CC1 527a_100000764129_100000210193 [0,1,0,1,0,0|1,0,1]=4 7925 B11R1.290 CC(CCBr)OCCC1CC1 34a_100012276601_100000694398 [0,1,0,1,0,0|1,0,1]=4 7926 B11R1.290 CC(CCO)OCCC1CC1 34a_100000754188_100009893172 [0,1,0,1,0,0|1,0,1]=4 7927 B11R1.290 CC(CCO)OCCC1CC1 7a_100000754188_100009893172 [0,1,0,1,0,0|1,0,1]=4 7928 B11R1.290 CC=CC(=O)NCCC1CC1 1626a_100000764129_100000210699 [0,1,0,1,0,0|1,0,1]=4 7929 B11R1.290 CC=CC(=O)NCCC1CC1 240690a_100000764129_100000210699 [0,1,0,1,0,0|1,0,1]=4 7930 B11R1.290 CCCC(=O)CCCC1CO1 1458a_100000211992_100000733510 [0,1,0,1,0,0|2,0,0]=4 7931 B11R1.290 CCCC(=O)CNCC1CC1 2230a_100000735609_100000747444 [0,1,0,1,0,0|2,0,0]=4 7932 B11R1.290 CCCC(=O)CSCC1CC1 1458a_200011316215_100000210303 [0,1,0,1,0,0|2,0,0]=4 7933 B11R1.290 CCCC(=O)CSCC1CC1 62a_100000747444_100000742324 [0,1,0,1,0,0|2,0,0]=4 7934 B11R1.290 CCCC(=O)CSCC1CC1 62a_100000756562_100000747444 [0,1,0,1,0,0|2,0,0]=4 7935 B11R1.290 CCCC(=O)NCCC1CC1 1626a_100000764129_100000211992 [0,1,0,1,0,0|1,0,0]=3 7936 B11R1.290 CCCC(=O)NCCC1CC1 240690a_100000764129_100000211992 [0,1,0,1,0,0|1,0,0]=3 7937 B11R1.290 CCCC(=O)NCCC1CC1 527a_100000764129_100000211992 [0,1,0,1,0,0|1,0,0]=3 7938 B11R1.290 CCCC(=O)NNCC1CC1 22a_100000736359_100000211992 [0,1,0,1,0,0|2,0,0]=4 7939 B11R1.290 CCCC(=O)OCNC1CC1 34a_100000212008_100000034017 [0,1,0,1,0,0|1,0,0]=3 7940 B11R1.290 CCCC(C)OCCC1CC1 34a_100000754188_100000766640 [0,1,0,1,0,0|1,0,1]=4 7941 B11R1.290 CCCC(C)OCCC1CC1 34a_100000764384_100000694398 [0,1,0,1,0,0|1,0,1]=4 7942 B11R1.290 CCCC(C)OCCC1CC1 7a_100000754188_100000766640 [0,1,0,1,0,0|1,0,1]=4 7943 B11R1.290 CCCC(C)OCCC1CC1 7a_100000764384_100000764125 [0,1,0,1,0,0|1,0,1]=4 7944 B11R1.290 CCNC(=O)CCNC1CC1 34a_100025743525_100000211595 [0,1,0,1,0,0|2,0,0]=4 7945 B11R1.290 CCNC(=O)CCSC1CC1 62a_100000737597_100000211595 [0,1,0,1,0,0|2,0,0]=4 7946 B11R1.290 CCNC(=O)CNCC1CC1 2230a_100000735609_100000183381 [0,1,0,1,0,0|2,0,0]=4 7947 B11R1.290 CCNC(=O)CNCC1CC1 2230a_100016988866_100000742324 [0,1,0,1,0,0|2,0,0]=4 7948 B11R1.290 CCNC(=O)CNCC1CC1 34a_100000735609_100000183381 [0,1,0,1,0,0|2,0,0]=4 7949 B11R1.290 CCNC(=O)COCC1CC1 34a_100000211283_100000183381 [0,1,0,1,0,0|2,0,0]=4 7950 B11R1.290 CCNC(=O)CSCC1CC1 11a_100015525214_200011316215 [0,1,0,1,0,0|2,0,0]=4 7951 B11R1.290 CCNC(=O)CSCC1CC1 240690a_100015525214_200011316215 [0,1,0,1,0,0|2,0,0]=4 7952 B11R1.290 CCNC(=O)CSCC1CC1 527a_100015525214_200011316215 [0,1,0,1,0,0|2,0,0]=4 7953 B11R1.290 CCNC(=O)CSCC1CC1 62a_100000183381_100000742324 [0,1,0,1,0,0|2,0,0]=4 7954 B11R1.290 CCNC(=O)CSCC1CC1 62a_100000756562_100000183381 [0,1,0,1,0,0|2,0,0]=4 7955 B11R1.290 CCNC(=O)NCCC1CC1 2708a_100000764129_100015525214 [0,1,0,1,0,0|1,0,0]=3 7956 B11R1.290 CCNC(=O)NCCC1CC1 2708a_100015525214_100000764129 [0,1,0,1,0,0|1,0,0]=3 7957 B11R1.290 CCNC(=O)NCCC1CC1 273464a_100000764129_100015525214 [0,1,0,1,0,0|1,0,0]=3 7958 B11R1.290 CCNC(=O)NCCC1CC1 273464a_100015525214_100000764129 [0,1,0,1,0,0|1,0,0]=3 7959 B11R1.290 CCNC(=O)NCCC1CC1 512a_100000764129_100015525214 [0,1,0,1,0,0|1,0,0]=3 7960 B11R1.290 CCNC(=O)NCCC1CC1 512a_100015525214_100000764129 [0,1,0,1,0,0|1,0,0]=3 7961 B11R1.290 CCNC(=O)NNCC1CC1 273464a_100015525214_100000736359 [0,1,0,1,0,0|2,0,0]=4 7962 B11R1.290 CCNC(=O)NNCC1CC1 512a_100000736359_100015525214 [0,1,0,1,0,0|2,0,0]=4 7963 B11R1.290 CCNC(=O)NNCC1CC1 512a_100015525214_100000736359 [0,1,0,1,0,0|2,0,0]=4 7964 B11R1.290 CCOC(=O)CCNC1CC1 34a_100000212008_100000765890 [0,1,0,1,0,0|2,0,0]=4 7965 B11R1.290 CCOC(=O)CCSC1CC1 62a_100000765890_100000211595 [0,1,0,1,0,0|2,0,0]=4 7966 B11R1.290 CCOC(=O)CNCC1CC1 2230a_100000735609_100000188475 [0,1,0,1,0,0|2,0,0]=4 7967 B11R1.290 CCOC(=O)CNCC1CC1 34a_100000735609_100000188475 [0,1,0,1,0,0|2,0,0]=4 7968 B11R1.290 CCOC(=O)COCC1CC1 34a_100000211283_100000188475 [0,1,0,1,0,0|2,0,0]=4 7969 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000188475_100000742324 [0,1,0,1,0,0|2,0,0]=4 7970 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000756562_100000188475 [0,1,0,1,0,0|2,0,0]=4 7971 B11R1.290 CNNC(=O)NCCC1CC1 273464a_100000764129_100016993582 [0,1,0,1,0,0|2,0,0]=4 7972 B11R1.290 CNNC(=O)NCCC1CC1 512a_100000764129_100016993582 [0,1,0,1,0,0|2,0,0]=4 7973 B11R1.290 CNNC(=O)NCCC1CC1 512a_100016993582_100000764129 [0,1,0,1,0,0|2,0,0]=4 7974 B11R1.290 COCC(=O)CCCC1CO1 1458a_100000210968_100000733510 [0,1,0,1,0,0|2,0,0]=4 7975 B11R1.290 COCC(=O)NCCC1CC1 1626a_100000764129_100000210968 [0,1,0,1,0,0|1,0,0]=3 7976 B11R1.290 COCC(=O)NCCC1CC1 240690a_100000764129_100000210968 [0,1,0,1,0,0|1,0,0]=3 7977 B11R1.290 COCC(=O)NCCC1CC1 527a_100000764129_100000210968 [0,1,0,1,0,0|1,0,0]=3 7978 B11R1.290 COCC(=O)NNCC1CC1 22a_100000736359_100000210968 [0,1,0,1,0,0|2,0,0]=4 7979 B11R1.290 COCC(C)OCCC1CC1 34a_100000754188_100000765312 [0,1,0,1,0,0|1,0,1]=4 7980 B11R1.290 COCC(C)OCCC1CC1 7a_100000754188_100000765312 [0,1,0,1,0,0|1,0,1]=4 7981 B11R1.290 COC[C@@H](C)OCCC1CC1 34a_100011934205_100000694398 [0,1,0,1,0,0|1,0,1]=4 7982 B11R1.290 CSCC(=O)CCCC1CO1 1458a_100000184570_100000733510 [0,1,0,1,0,0|2,0,0]=4 7983 B11R1.290 CSCC(=O)NCCC1CC1 1626a_100000764129_100000184570 [0,1,0,1,0,0|1,0,0]=3 7984 B11R1.290 CSCC(=O)NCCC1CC1 240690a_100000764129_100000184570 [0,1,0,1,0,0|1,0,0]=3 7985 B11R1.290 CSCC(=O)NCCC1CC1 527a_100000764129_100000184570 [0,1,0,1,0,0|1,0,0]=3 7986 B11R1.290 CSCC(=O)NNCC1CC1 22a_100000736359_100000184570 [0,1,0,1,0,0|2,0,0]=4 7987 B11R1.290 N#CCC(=O)NCCC1CC1 1626a_100000764129_100051588842 [0,1,0,1,0,0|1,0,1]=4 7988 B11R1.290 N#CCC(=O)NCCC1CC1 240690a_100000764129_100051588842 [0,1,0,1,0,0|1,0,1]=4 7989 B11R1.290 O=C(CCF)CSCC1CC1 1458a_200011316215_100011217306 [0,1,0,1,0,0|2,0,0]=4 7990 B11R1.290 O=C(CCO)CCCC1CO1 1458a_100011216618_100000733510 [0,1,0,1,0,0|2,0,0]=4 7991 B11R1.290 O=C(CCO)CSCC1CC1 1458a_200011316215_100000211926 [0,1,0,1,0,0|2,0,0]=4 7992 B11R1.290 O=C(CCO)NCCC1CC1 240690a_100000764129_100011216618 [0,1,0,1,0,0|1,0,0]=3 7993 B11R1.290 O=C(CCO)NNCC1CC1 22a_100000736359_100011216618 [0,1,0,1,0,0|2,0,0]=4 7994 B11R1.720 CC(C)CCCC(=O)C1CC1 1458a_100000210395_100011214892 [0,1,0,1,0,0|1,0,0]=3 7995 B11R1.720 CC(C)CCCC(=O)C1CO1 1458a_100000701028_100011214892 [0,1,0,1,0,0|1,0,0]=3 7996 B11R1.720 CC(C)CCNC(=O)C1CC1 11a_100000210545_100000210395 [0,1,0,1,0,0|1,0,0]=3 7997 B11R1.720 CC(C)CCNC(=O)C1CC1 1626a_100000210545_100000210395 [0,1,0,1,0,0|1,0,0]=3 7998 B11R1.720 CC(C)CCNC(=O)C1CC1 240690a_100000210545_100000210395 [0,1,0,1,0,0|1,0,0]=3 7999 B11R1.720 CC(C)CCNC(=O)C1CC1 527a_100000210545_100000210395 [0,1,0,1,0,0|1,0,0]=3 8000 B11R1.720 CC(C)CCNC(=O)C1CO1 11a_100000210545_100000701028 [0,1,0,1,0,0|1,0,0]=3 8001 B11R1.720 CC(C)CCNC(=O)C1CO1 1626a_100000210545_100000701028 [0,1,0,1,0,0|1,0,0]=3 8002 B11R1.720 CC(C)CCNC(=O)C1CO1 240690a_100000210545_100000701028 [0,1,0,1,0,0|1,0,0]=3 8003 B11R1.720 CC(C)CCNC(=O)C1CO1 527a_100000210545_100000701028 [0,1,0,1,0,0|1,0,0]=3 8004 B11R1.720 CC(C)CCOC(C)C1CC1 34a_100000744524_100000210312 [0,1,0,1,0,0|1,0,1]=4 8005 B11R1.720 CC(C)CCOC(C)C1CC1 7a_100000744524_100000210626 [0,1,0,1,0,0|1,0,1]=4 8006 B11R1.720 CC(C)CNCC(=O)C1CC1 2230a_100000210953_100000746382 [0,1,0,1,0,0|2,0,0]=4 8007 B11R1.720 CC(C)CNCC(=O)C1CC1 34a_100000210953_100000746382 [0,1,0,1,0,0|2,0,0]=4 8008 B11R1.720 CC(C)CNNC(=O)C1CC1 22a_100000696102_100000210395 [0,1,0,1,0,0|2,0,0]=4 8009 B11R1.720 CC(C)CNNC(=O)C1CO1 22a_100000696102_100000701028 [0,1,0,1,0,0|2,0,0]=4 8010 B11R1.720 CC(C)COCC(=O)C1CC1 34a_100000210257_100000746382 [0,1,0,1,0,0|2,0,0]=4 8011 B11R1.720 CC(C)COCC(=O)C1CC1 34a_100000686663_100000210624 [0,1,0,1,0,0|2,0,0]=4 8012 B11R1.720 CC(C)CSCC(=O)C1CC1 62a_100000210624_100000746382 [0,1,0,1,0,0|2,0,0]=4 8013 B11R1.720 CC(C)CSCC(=O)C1CC1 62a_100000746382_100000210760 [0,1,0,1,0,0|2,0,0]=4 8014 B11R1.720 CC(C)NCOC(=O)C1CC1 2230a_100138425928_100000140896 [0,1,0,1,0,0|1,0,0]=3 8015 B11R1.720 CC(C)NCOC(=O)C1CC1 34a_100138425928_100000140896 [0,1,0,1,0,0|1,0,0]=3 8016 B11R1.720 CC(C)OCCC(=O)C1CC1 1458a_100000210395_100000211751 [0,1,0,1,0,0|2,0,0]=4 8017 B11R1.720 CC(C)OCCC(=O)C1CO1 1458a_100000701028_100000211751 [0,1,0,1,0,0|2,0,0]=4 8018 B11R1.720 CC(C)OCOC(=O)C1CC1 34a_100000212225_100000140896 [0,1,0,1,0,0|1,0,0]=3 8019 B11R1.720 CC(C)SCCC(=O)C1CC1 1458a_100000210395_100000730970 [0,1,0,1,0,0|2,0,0]=4 8020 B11R1.720 CC(C)SCCC(=O)C1CO1 1458a_100000701028_100000730970 [0,1,0,1,0,0|2,0,0]=4 8021 B11R1.720 CC(C)SCOC(=O)C1CC1 62a_100000140896_100000210206 [0,1,0,1,0,0|1,0,0]=3 8022 B11R1.720 CC(C)SCOC(=O)C1CC1 62a_100000210206_100000140896 [0,1,0,1,0,0|1,0,0]=3 8023 B11R1.720 CC(O)CCCC(=O)C1CC1 1458a_100000210395_200000718107 [0,1,0,1,0,0|2,0,0]=4 8024 B11R1.720 CC(O)CCCC(=O)C1CO1 1458a_100000701028_200000718107 [0,1,0,1,0,0|2,0,0]=4 8025 B11R1.720 CC(O)CCNC(=O)C1CC1 240690a_200000755665_100000210395 [0,1,0,1,0,0|2,0,0]=4 8026 B11R1.720 CC(O)CCNC(=O)C1CC1 527a_200000755665_100000210395 [0,1,0,1,0,0|2,0,0]=4 8027 B11R1.720 CC(O)CCNC(=O)C1CO1 240690a_200000755665_100000701028 [0,1,0,1,0,0|2,0,0]=4 8028 B11R1.720 CC(O)CCNC(=O)C1CO1 527a_200000755665_100000701028 [0,1,0,1,0,0|2,0,0]=4 8029 B11R1.720 CN(C)CCCC(=O)C1CC1 1458a_100000210395_100000695564 [0,1,0,1,0,0|2,0,0]=4 8030 B11R1.720 CN(C)CCCC(=O)C1CO1 1458a_100000701028_100000695564 [0,1,0,1,0,0|2,0,0]=4 8031 B11R1.720 CN(C)CCNC(=O)C1CC1 240690a_100000210585_100000210395 [0,1,0,1,0,0|2,0,0]=4 8032 B11R1.720 CN(C)CCNC(=O)C1CC1 527a_100000210585_100000210395 [0,1,0,1,0,0|2,0,0]=4 8033 B11R1.720 CN(C)CCNC(=O)C1CO1 240690a_100000210585_100000701028 [0,1,0,1,0,0|2,0,0]=4 8034 B11R1.720 CN(C)CCNC(=O)C1CO1 527a_100000210585_100000701028 [0,1,0,1,0,0|2,0,0]=4 8035 B11R1.924 CC(C)CCOC1(CCC1)C 34a_100000759064_100000210312 [0,1,0,1,0,0|1,0,1]=4 8036 B11R1.924 CC(C)CCOC1(CCC1)C 7a_100000759064_100000210626 [0,1,0,1,0,0|1,0,1]=4 8037 B11R1.924 CC(C)CCOC1(CSC1)C 7a_100016018533_100000210626 [0,1,0,1,0,0|1,0,1]=4 8038 B11R1.80 CC1=CC(OC1=O)NC(C)C 2230a_100138425928_200009893386 [0,1,0,1,0,0|1,0,1]=4 8039 B11R1.80 CC1=CC(OC1=O)SC(C)C 62a_100000210206_200009893386 [0,1,0,1,0,0|1,0,1]=4 8040 B11R1.80 CC1=CC(OC1=O)SC(C)C 62a_200009893386_100000210206 [0,1,0,1,0,0|1,0,1]=4 8041 B11R1.141 CC(C)CC(=O)C1CCC1=O 1458a_100000210554_100009892977 [0,1,0,1,0,0|1,0,1]=4 8042 B11R1.141 CC(C)CN(C)C1CCC1=O 269982a_100000747067_100009892977 [0,1,0,1,0,0|2,0,0]=4 8043 B11R1.198 CCC(=O)CC(=O)CC1CC1 1458a_100000738066_100000747405 [0,1,0,1,0,0|1,0,1]=4 8044 B11R1.198 CCC(=O)CN(C)CC1CC1 269982a_100000741881_100000747405 [0,1,0,1,0,0|2,0,0]=4 8045 B11R1.198 CCC(=O)CS(=O)CC1CC1 1458a_100011387478_100000210202 [0,1,0,1,0,0|2,0,0]=4 8046 B11R1.484 CC(C)CC(C)OC1CCC1 34a_100000211805_100000749161 [0,1,0,1,0,0|1,0,1]=4 8047 B11R1.484 CC(C)CC(C)OC1CCC1 34a_100000748187_100000731052 [0,1,0,1,0,0|1,0,1]=4 8048 B11R1.728 CC(C)CC(C)OC1(CC1)C 7a_100011725673_100000731052 [0,1,0,1,0,0|1,0,1]=4 8049 B11R1.815 CCC(=O)CC(=O)C1CC1C 1458a_100000211227_100000747405 [0,1,0,1,0,0|1,0,1]=4 8050 B11R1.897 CCC(=O)CC1CC(C1)(F)F 1458a_100000210414_100009886855 [0,1,0,1,0,0|2,0,0]=4 8051 B11R1.897 CCC(=O)CC1CC(C1)(F)F 1458a_100010381176_100000210202 [0,1,0,1,0,0|2,0,0]=4 8052 B11R1.897 CCC(=O)CN1CC(C1)(C)C 269982a_100000753659_100000747405 [0,1,0,1,0,0|2,0,0]=4 8053 B11R1.897 CCC(=O)CN1CC(C1)(C)F 269982a_100000696199_100000747405 [0,1,0,1,0,0|2,0,0]=4 8054 B11R1.897 CCC(=O)CN1CC(C1)(C)O 269982a_100000718560_100000747405 [0,1,0,1,0,0|2,0,0]=4 8055 B11R1.897 CCC(=O)NC1CC(C1)(F)F 11a_100000756238_100000210414 [0,1,0,1,0,0|2,0,0]=4 8056 B11R1.897 CCC(=O)NC1CC(C1)(F)F 1626a_100000756238_100000210414 [0,1,0,1,0,0|2,0,0]=4 8057 B11R1.897 CCC(=O)NC1CC(C1)(F)F 240690a_100000756238_100000210414 [0,1,0,1,0,0|2,0,0]=4 8058 B11R1.897 CCC(=O)NC1CC(C1)(F)F 527a_100000756238_100000210414 [0,1,0,1,0,0|2,0,0]=4 8059 B11R1.897 CCC(=O)N[C@H]1C[C@@](C1)(C)O 11a_100121572536_100000210414 [0,1,0,1,0,0|1,0,0]=3 8060 B11R1.897 CCC(=O)N[C@H]1C[C@@](C1)(C)O 1626a_100121572536_100000210414 [0,1,0,1,0,0|1,0,0]=3 8061 B11R1.897 CCC(=O)N[C@H]1C[C@@](C1)(C)O 240690a_100121572536_100000210414 [0,1,0,1,0,0|1,0,0]=3 8062 B11R1.897 CCC(=O)N[C@H]1C[C@@](C1)(C)O 527a_100121572536_100000210414 [0,1,0,1,0,0|1,0,0]=3 8063 B11R1.897 CNC(=O)N[C@H]1C[C@@](C1)(C)O 2708a_100102657272_100121572536 [0,1,0,1,0,0|2,0,0]=4 8064 B11R1.897 CNC(=O)N[C@H]1C[C@@](C1)(C)O 2708a_100121572536_106832991635 [0,1,0,1,0,0|2,0,0]=4 8065 B11R1.897 CNC(=O)N[C@H]1C[C@@](C1)(C)O 273464a_100102657272_100121572536 [0,1,0,1,0,0|2,0,0]=4 8066 B11R1.897 CNC(=O)N[C@H]1C[C@@](C1)(C)O 273464a_100121572536_100102657272 [0,1,0,1,0,0|2,0,0]=4 8067 B11R1.897 CNC(=O)N[C@H]1C[C@@](C1)(C)O 512a_100121572536_100102657272 [0,1,0,1,0,0|2,0,0]=4 8068 B11R1.897 CNC(=O)N[C@H]1C[C@@](C1)(C)O 512a_106832991638_100121572536 [0,1,0,1,0,0|2,0,0]=4 8069 B11R1.897 C[C@@]1(C[C@H](C1)NC(=O)CO)O 240690a_100121572536_100000210174 [0,1,0,1,0,0|2,0,0]=4 8070 B11R1.897 C[C@@]1(C[C@H](C1)NC(=O)CO)O 527a_100121572536_100000210174 [0,1,0,1,0,0|2,0,0]=4 8071 B11R1.22 CC1CCC(CC1)C(=O)CO 1458a_100000210174_200011216234 [0,1,0,1,0,0|2,0,0]=4 8072 B11R1.22 CC1CCN(CC1)C(=O)CO 240690a_100000188429_100000210174 [0,1,0,1,0,0|2,0,0]=4 8073 B11R1.22 CC1CCN(CC1)C(=O)CO 527a_100000188429_100000210174 [0,1,0,1,0,0|2,0,0]=4 8074 B11R1.22 CCC(=O)C1CC=C(CC1)C 1458a_100000137427_100000210202 [0,1,0,1,0,0|1,0,1]=4 8075 B11R1.22 CCC(=O)C1CCC(CC1)C 1458a_100000210414_200011216234 [0,1,0,1,0,0|1,0,0]=3 8076 B11R1.22 CCC(=O)C1CCC(CC1)O 1458a_100000743365_100000210202 [0,1,0,1,0,0|2,0,0]=4 8077 B11R1.22 CCC(=O)C1CCN(CC1)C 1458a_100000743488_100000210202 [0,1,0,1,0,0|2,0,0]=4 8078 B11R1.22 CCC(=O)N1CC=C(CC1)C 11a_100000693516_100000210414 [0,1,0,1,0,0|1,0,1]=4 8079 B11R1.22 CCC(=O)N1CC=C(CC1)C 1626a_100000693516_100000210414 [0,1,0,1,0,0|1,0,1]=4 8080 B11R1.22 CCC(=O)N1CC=C(CC1)C 240690a_100000693516_100000210414 [0,1,0,1,0,0|1,0,1]=4 8081 B11R1.22 CCC(=O)N1CC=C(CC1)C 527a_100000693516_100000210414 [0,1,0,1,0,0|1,0,1]=4 8082 B11R1.22 CCC(=O)N1CCC(CC1)C 240690a_100000188429_100000210414 [0,1,0,1,0,0|1,0,0]=3 8083 B11R1.22 CCC(=O)N1CCC(CC1)C 527a_100000188429_100000210414 [0,1,0,1,0,0|1,0,0]=3 8084 B11R1.22 CCC(=O)N1CCC(CC1)F 11a_100015193889_100000210414 [0,1,0,1,0,0|2,0,0]=4 8085 B11R1.22 CCC(=O)N1CCC(CC1)F 1626a_100015193889_100000210414 [0,1,0,1,0,0|2,0,0]=4 8086 B11R1.22 CCC(=O)N1CCC(CC1)F 240690a_100015193889_100000210414 [0,1,0,1,0,0|2,0,0]=4 8087 B11R1.22 CCC(=O)N1CCC(CC1)F 527a_100015193889_100000210414 [0,1,0,1,0,0|2,0,0]=4 8088 B11R1.22 CCC(=O)N1CCC(CC1)O 240690a_100025773856_100000210414 [0,1,0,1,0,0|2,0,0]=4 8089 B11R1.22 CCC(=O)N1CCC(CC1)O 527a_100025773856_100000210414 [0,1,0,1,0,0|2,0,0]=4 8090 B11R1.22 CCC(=O)N1CCN(CC1)C 11a_100000188432_100000210414 [0,1,0,1,0,0|2,0,0]=4 8091 B11R1.22 CCC(=O)N1CCN(CC1)C 2230a_100000749825_200000210301 [0,1,0,1,0,0|2,0,0]=4 8092 B11R1.22 CCC(=O)N1CCN(CC1)C 240690a_100000188432_100000210414 [0,1,0,1,0,0|2,0,0]=4 8093 B11R1.22 CCC(=O)N1CCN(CC1)C 269982a_100000749825_200000210301 [0,1,0,1,0,0|2,0,0]=4 8094 B11R1.22 CCC(=O)N1CCN(CC1)C 527a_100000188432_100000210414 [0,1,0,1,0,0|2,0,0]=4 8095 B11R1.22 CCC(=O)N1CCN(CC1)[13CH3] 2230a_100000749825_200025704644 [0,1,0,1,0,0|2,0,0]=4 8096 B11R1.22 CCC(=O)N1CCN(CC1)[13CH3] 269982a_100000749825_200025704644 [0,1,0,1,0,0|2,0,0]=4 8097 B11R1.22 CCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000210202 [0,1,0,1,0,0|1,0,0]=3 8098 B11R1.22 CNC(=O)N1CCC(CC1)C 2708a_100102657272_100000188429 [0,1,0,1,0,0|2,0,0]=4 8099 B11R1.22 CNC(=O)N1CCC(CC1)C 273464a_100102657272_100000188429 [0,1,0,1,0,0|2,0,0]=4 8100 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 11a_106832991635_100009815934 [0,1,0,1,0,0|2,0,0]=4 8101 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 1626a_100102657272_100009815934 [0,1,0,1,0,0|2,0,0]=4 8102 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 240690a_100102657272_100009815934 [0,1,0,1,0,0|2,0,0]=4 8103 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 527a_100102657272_100009815934 [0,1,0,1,0,0|2,0,0]=4 8104 B11R1.22 CNC(C)C1CC=C(CC1)C 269862a_106832991636_100000073480 [0,1,0,1,0,0|2,0,0]=4 8105 B11R1.22 CNC(C)C1CC=C(CC1)C 270004a_106832991635_100000073480 [0,1,0,1,0,0|2,0,0]=4 8106 B11R1.22 C[C@H]1CC[C@@H](CC1)C(=O)CF 1458a_100009815934_100015361967 [0,1,0,1,0,0|2,0,0]=4 8107 B11R1.294 CCC(=O)C(C)NCC1CC1 2230a_100000735609_100000742827 [0,1,0,1,0,0|2,0,0]=4 8108 B11R1.294 CCC(=O)C(C)SCC1CC1 62a_100000742827_100000742324 [0,1,0,1,0,0|2,0,0]=4 8109 B11R1.294 CCC(=O)C(C)SCC1CC1 62a_100000756562_100000742827 [0,1,0,1,0,0|2,0,0]=4 8110 B11R1.294 CNC(=O)C(=O)CCC1CC1 1458a_100011218921_100000694398 [0,1,0,1,0,0|2,0,0]=4 8111 B11R1.296 CCC(=O)C(C)N1CC(C1)C 2230a_100000702820_100000742827 [0,1,0,1,0,0|2,0,0]=4 8112 B11R1.296 CCC(=O)C(C)N1CC(C1)C 269982a_100000702820_100000742827 [0,1,0,1,0,0|2,0,0]=4 8113 B11R1.853 CCC(=O)C1CN(C1)C(C)C 1458a_100011935012_100000210202 [0,1,0,1,0,0|2,0,0]=4 8114 B11R1.853 CCC(=O)N1CC(C1)N(C)C 240690a_100000694738_100000210414 [0,1,0,1,0,0|2,0,0]=4 8115 B11R1.853 CCC(=O)N1CC(C1)N(C)C 527a_100000694738_100000210414 [0,1,0,1,0,0|2,0,0]=4 8116 B11R1.866 CC1(CCN(C1)C(=O)CO)C 240690a_100000764714_100000210174 [0,1,0,1,0,0|2,0,0]=4 8117 B11R1.866 CC1(CCN(C1)C(=O)CO)C 527a_100000764714_100000210174 [0,1,0,1,0,0|2,0,0]=4 8118 B11R1.866 CC1(CCN(C1)C(=O)CO)O 240690a_100000718628_100000210174 [0,1,0,1,0,0|2,0,0]=4 8119 B11R1.866 CC1(CCN(C1)C(=O)CO)O 527a_100000718628_100000210174 [0,1,0,1,0,0|2,0,0]=4 8120 B11R1.866 CCC(=O)C1CCC(C1)(F)F 1458a_100000696201_100000210202 [0,1,0,1,0,0|2,0,0]=4 8121 B11R1.866 CCC(=O)C1COC(O1)(C)C 1458a_100015188449_100000210202 [0,1,0,1,0,0|2,0,0]=4 8122 B11R1.866 CCC(=O)N1CCC(C1)(C)C 11a_100000764714_100000210414 [0,1,0,1,0,0|1,0,0]=3 8123 B11R1.866 CCC(=O)N1CCC(C1)(C)C 1626a_100000764714_100000210414 [0,1,0,1,0,0|1,0,0]=3 8124 B11R1.866 CCC(=O)N1CCC(C1)(C)C 240690a_100000764714_100000210414 [0,1,0,1,0,0|1,0,0]=3 8125 B11R1.866 CCC(=O)N1CCC(C1)(C)C 527a_100000764714_100000210414 [0,1,0,1,0,0|1,0,0]=3 8126 B11R1.866 CCC(=O)N1CCC(C1)(C)O 11a_100000718628_100000210414 [0,1,0,1,0,0|1,0,0]=3 8127 B11R1.866 CCC(=O)N1CCC(C1)(C)O 240690a_100000718628_100000210414 [0,1,0,1,0,0|1,0,0]=3 8128 B11R1.866 CCC(=O)N1CCC(C1)(C)O 527a_100000718628_100000210414 [0,1,0,1,0,0|1,0,0]=3 8129 B11R1.866 CCC(=O)N1CCC(C1)(F)F 11a_100000697292_100000210414 [0,1,0,1,0,0|2,0,0]=4 8130 B11R1.866 CCC(=O)N1CCC(C1)(F)F 1626a_100000697292_100000210414 [0,1,0,1,0,0|2,0,0]=4 8131 B11R1.866 CCC(=O)N1CCC(C1)(F)F 240690a_100000697292_100000210414 [0,1,0,1,0,0|2,0,0]=4 8132 B11R1.866 CCC(=O)N1CCC(C1)(F)F 527a_100000697292_100000210414 [0,1,0,1,0,0|2,0,0]=4 8133 B11R1.866 CNC(=O)N1CCC(C1)(C)C 2708a_100102657272_100000764714 [0,1,0,1,0,0|2,0,0]=4 8134 B11R1.866 CNC(=O)N1CCC(C1)(C)C 273464a_100102657272_100000764714 [0,1,0,1,0,0|2,0,0]=4 8135 B11R1.866 CNC(=O)N1CCC(C1)(C)O 2708a_100102657272_100000718628 [0,1,0,1,0,0|2,0,0]=4 8136 B11R1.866 CNC(=O)N1CCC(C1)(C)O 273464a_100102657272_100000718628 [0,1,0,1,0,0|2,0,0]=4 8137 B11R1.885 CCC(=O)C1(CCN(C1)C)C 1458a_100011814562_100000210202 [0,1,0,1,0,0|2,0,0]=4 8138 B11R1.44 CCC(=O)C1CCN(C1)CC 1458a_100103286618_100000210202 [0,1,0,1,0,0|2,0,0]=4 8139 B11R1.44 CCC(=O)N1CCC(C1)C#N 11a_100016989334_100000210414 [0,1,0,1,0,0|1,0,1]=4 8140 B11R1.44 CCC(=O)N1CCC(C1)C#N 1626a_100016989334_100000210414 [0,1,0,1,0,0|1,0,1]=4 8141 B11R1.44 CCC(=O)N1CCC(C1)C#N 240690a_100016989334_100000210414 [0,1,0,1,0,0|1,0,1]=4 8142 B11R1.44 CCC(=O)N1CCC(C1)C#N 527a_100016989334_100000210414 [0,1,0,1,0,0|1,0,1]=4 8143 B11R1.44 CCC(=O)N1CCC(C1)CO 240690a_100000748654_100000210414 [0,1,0,1,0,0|1,0,0]=3 8144 B11R1.44 CCC(=O)N1CCC(C1)CO 527a_100000748654_100000210414 [0,1,0,1,0,0|1,0,0]=3 8145 B11R1.44 CCC(=O)N1CC[C@H](C1)OC 11a_100000766984_100000210414 [0,1,0,1,0,0|1,0,0]=3 8146 B11R1.44 CCC(=O)N1CC[C@H](C1)OC 1626a_100000766984_100000210414 [0,1,0,1,0,0|1,0,0]=3 8147 B11R1.44 CCC(=O)N1CC[C@H](C1)OC 240690a_100000766984_100000210414 [0,1,0,1,0,0|1,0,0]=3 8148 B11R1.44 CCC(=O)N1CC[C@H](C1)OC 527a_100000766984_100000210414 [0,1,0,1,0,0|1,0,0]=3 8149 B11R1.44 CNC(=O)N1CCC(C1)CO 2708a_100102657272_100000748654 [0,1,0,1,0,0|2,0,0]=4 8150 B11R1.44 CNC(=O)N1CCC(C1)CO 273464a_100102657272_100000748654 [0,1,0,1,0,0|2,0,0]=4 8151 B11R1.44 CNC(=O)N1CC[C@H](C1)OC 2708a_100102657272_100000766984 [0,1,0,1,0,0|2,0,0]=4 8152 B11R1.44 CNC(=O)N1CC[C@H](C1)OC 273464a_100102657272_100000766984 [0,1,0,1,0,0|2,0,0]=4 8153 B11R1.44 COC(=O)C1CCC(C1)OC 34a_100010257243_200000210301 [0,1,0,1,0,0|2,0,0]=4 8154 B11R1.44 COC(=O)C1CCC(C1)OC 7a_100010257243_200000210301 [0,1,0,1,0,0|2,0,0]=4 8155 B11R1.44 COC(=O)C1CCC(C1)O[13CH3] 34a_100010257243_200025704644 [0,1,0,1,0,0|2,0,0]=4 8156 B11R1.44 COC(=O)C1CCC(C1)O[13CH3] 7a_100010257243_200025704644 [0,1,0,1,0,0|2,0,0]=4 8157 B11R1.44 CO[C@@H]1CCN(C1)C(=O)CO 240690a_100000766984_100000210174 [0,1,0,1,0,0|2,0,0]=4 8158 B11R1.44 CO[C@@H]1CCN(C1)C(=O)CO 527a_100000766984_100000210174 [0,1,0,1,0,0|2,0,0]=4 8159 B11R1.44 O=C(CO)N1CCC(C1)CO 240690a_100000748654_100000210174 [0,1,0,1,0,0|2,0,0]=4 8160 B11R1.44 O=C(CO)N1CCC(C1)CO 527a_100000748654_100000210174 [0,1,0,1,0,0|2,0,0]=4 8161 B11R1.223 CC(CN)COC1CCC1=O 34a_100000744482_100009892977 [0,1,0,1,0,0|2,0,0]=4 8162 B11R1.223 CC(CO)CNC1CCC1=O 34a_100000744482_100009892977 [0,1,0,1,0,0|2,0,0]=4 8163 B11R1.223 CCC(C)CSC1CCC1=O 62a_100000748023_100009892977 [0,1,0,1,0,0|2,0,0]=4 8164 B11R1.223 CCC(C)CSC1CCC1=O 62a_100009892977_100000748023 [0,1,0,1,0,0|2,0,0]=4 8165 B11R1.223 CCN(C)CCC1CCC1=O 2230a_100000225621_200016118888 [0,1,0,1,0,0|2,0,0]=4 8166 B11R1.223 CCN(C)CCC1CCC1=O 269982a_100000225621_200016118888 [0,1,0,1,0,0|2,0,0]=4 8167 B11R1.223 CC[C@H](C)COC1CCC1=O 7a_100009816381_100009892977 [0,1,0,1,0,0|2,0,0]=4 8168 B11R1.223 CC[C@H](C)CSC1CCC1=O 62a_100009816398_100009892977 [0,1,0,1,0,0|2,0,0]=4 8169 B11R1.223 CC[C@H](C)CSC1CCC1=O 62a_100009892977_100009816398 [0,1,0,1,0,0|2,0,0]=4 8170 B11R1.223 COC(C)COC1CCC1=O 34a_100000690652_100009892977 [0,1,0,1,0,0|2,0,0]=4 8171 B11R1.223 C[C@@H](CO)CSC1CCC1=O 62a_100000059175_100009892977 [0,1,0,1,0,0|2,0,0]=4 8172 B11R1.223 C[C@@H](CO)CSC1CCC1=O 62a_100009892977_100000059175 [0,1,0,1,0,0|2,0,0]=4 8173 B11R1.236 CCC(=O)COCC1CCC1 34a_100000725409_100000763275 [0,1,0,1,0,0|2,0,0]=4 8174 B11R1.236 CCC(=O)COCC1CCO1 34a_100000725409_100000103362 [0,1,0,1,0,0|2,0,0]=4 8175 B11R1.236 CCC(=O)COCC1COC1 34a_100000725409_100010264016 [0,1,0,1,0,0|2,0,0]=4 8176 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000747405_100000763275 [0,1,0,1,0,0|2,0,0]=4 8177 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000763275_100000747405 [0,1,0,1,0,0|2,0,0]=4 8178 B11R1.236 CCC(=O)CSCC1CCO1 62a_100000103362_100000747405 [0,1,0,1,0,0|2,0,0]=4 8179 B11R1.236 CCC(=O)CSCC1CCO1 62a_100000747405_100000103362 [0,1,0,1,0,0|2,0,0]=4 8180 B11R1.236 CCC(=O)CSCC1COC1 62a_100000747405_100010264016 [0,1,0,1,0,0|2,0,0]=4 8181 B11R1.236 CCC(=O)CSCC1COC1 62a_100010264016_100000747405 [0,1,0,1,0,0|2,0,0]=4 8182 B11R1.236 CCC(=O)NCCN1CCC1 240690a_100000691440_100000210414 [0,1,0,1,0,0|2,0,0]=4 8183 B11R1.236 CCC(=O)NNCC1CCC1 22a_200020586977_100000210414 [0,1,0,1,0,0|2,0,0]=4 8184 B11R1.236 CCC(C)OCCC1COC1 34a_100009855314_100011215416 [0,1,0,1,0,0|1,0,1]=4 8185 B11R1.236 CNC(=O)OCCN1CCC1 269982a_100000754969_200011997002 [0,1,0,1,0,0|2,0,0]=4 8186 B11R1.264 CCC(=O)CN1CC(C1)CC 269982a_100015205115_100000747405 [0,1,0,1,0,0|2,0,0]=4 8187 B11R1.264 CCC(=O)CN1CC(C1)CF 269982a_100010363649_100000747405 [0,1,0,1,0,0|2,0,0]=4 8188 B11R1.264 CCC(=O)CN1CC(C1)CO 269982a_100016987283_100000747405 [0,1,0,1,0,0|2,0,0]=4 8189 B11R1.264 CCC(=O)CN1CC(C1)OC 269982a_100000755009_100000747405 [0,1,0,1,0,0|2,0,0]=4 8190 B11R1.264 CCC(=O)CN1CC(C1)SC 269982a_100016990038_100000747405 [0,1,0,1,0,0|2,0,0]=4 8191 B11R1.264 CCC(=O)NC1CC(C1)CO 240690a_100000095622_100000210414 [0,1,0,1,0,0|1,0,0]=3 8192 B11R1.264 CCC(=O)NC1CC(C1)CO 527a_100000095622_100000210414 [0,1,0,1,0,0|1,0,0]=3 8193 B11R1.264 CCC(=O)NC1CN(C1)CC 11a_200015199589_100000210414 [0,1,0,1,0,0|2,0,0]=4 8194 B11R1.264 CCC(=O)NC1CN(C1)CC 1626a_200015199589_100000210414 [0,1,0,1,0,0|2,0,0]=4 8195 B11R1.264 CCC(=O)NC1CN(C1)CC 240690a_200015199589_100000210414 [0,1,0,1,0,0|2,0,0]=4 8196 B11R1.264 CCC(=O)N[C@H]1C[C@@H](C1)OC 11a_100121570643_100000210414 [0,1,0,1,0,0|1,0,0]=3 8197 B11R1.264 CCC(=O)N[C@H]1C[C@@H](C1)OC 1626a_100121570643_100000210414 [0,1,0,1,0,0|1,0,0]=3 8198 B11R1.264 CCC(=O)N[C@H]1C[C@@H](C1)OC 240690a_100121570643_100000210414 [0,1,0,1,0,0|1,0,0]=3 8199 B11R1.264 CCC(=O)N[C@H]1C[C@@H](C1)OC 527a_100121570643_100000210414 [0,1,0,1,0,0|1,0,0]=3 8200 B11R1.264 CNC(=O)NC1CC(C1)CO 2708a_100102657272_100000095622 [0,1,0,1,0,0|2,0,0]=4 8201 B11R1.264 CNC(=O)NC1CC(C1)CO 273464a_100000095622_100102657272 [0,1,0,1,0,0|2,0,0]=4 8202 B11R1.264 CNC(=O)NC1CC(C1)CO 273464a_100102657272_100000095622 [0,1,0,1,0,0|2,0,0]=4 8203 B11R1.264 CNC(=O)NC1CC(C1)CO 512a_106832991638_100000095622 [0,1,0,1,0,0|2,0,0]=4 8204 B11R1.264 CNC(=O)N[C@H]1C[C@@H](C1)OC 2708a_100102657272_100121570643 [0,1,0,1,0,0|2,0,0]=4 8205 B11R1.264 CNC(=O)N[C@H]1C[C@@H](C1)OC 2708a_100121570643_106832991635 [0,1,0,1,0,0|2,0,0]=4 8206 B11R1.264 CNC(=O)N[C@H]1C[C@@H](C1)OC 273464a_100102657272_100121570643 [0,1,0,1,0,0|2,0,0]=4 8207 B11R1.264 CNC(=O)N[C@H]1C[C@@H](C1)OC 273464a_100121570643_100102657272 [0,1,0,1,0,0|2,0,0]=4 8208 B11R1.264 CNC(=O)N[C@H]1C[C@@H](C1)OC 512a_100121570643_100102657272 [0,1,0,1,0,0|2,0,0]=4 8209 B11R1.264 CNC(=O)N[C@H]1C[C@@H](C1)OC 512a_106832991638_100121570643 [0,1,0,1,0,0|2,0,0]=4 8210 B11R1.264 CO[C@H]1C[C@@H](C1)NC(=O)CO 240690a_100121570643_100000210174 [0,1,0,1,0,0|2,0,0]=4 8211 B11R1.264 CO[C@H]1C[C@@H](C1)NC(=O)CO 527a_100121570643_100000210174 [0,1,0,1,0,0|2,0,0]=4 8212 B11R1.264 O=C(CO)NC1CC(C1)CO 240690a_100000095622_100000210174 [0,1,0,1,0,0|2,0,0]=4 8213 B11R1.264 O=C(CO)NC1CC(C1)CO 527a_100000095622_100000210174 [0,1,0,1,0,0|2,0,0]=4 8214 B11R1.1029 CCC(=O)COCC1(CC1)C 7a_100000698024_100000747405 [0,1,0,1,0,0|2,0,0]=4 8215 B11R1.1029 CCC(=O)COCC1(CC1)F 7a_200000703853_100000747405 [0,1,0,1,0,0|2,0,0]=4 8216 B11R1.1029 CCC(=O)COCC1(CO1)C 34a_100000725409_100000760498 [0,1,0,1,0,0|2,0,0]=4 8217 B11R1.1029 CCC(=O)CSCC1(CO1)C 62a_100000747405_100000760498 [0,1,0,1,0,0|2,0,0]=4 8218 B11R1.1029 CCC(=O)CSCC1(CO1)C 62a_100000760498_100000747405 [0,1,0,1,0,0|2,0,0]=4 8219 B11R1.76 CC(C)(C)OC1CCC(=O)C1 34a_100012614533_100000210625 [0,1,0,1,0,0|2,0,0]=4 8220 B11R1.76 CC(C)(C)OC1COC(=O)O1 34a_100015890283_100000032252 [0,1,0,1,0,0|2,0,0]=4 8221 B11R1.76 CC(C)(C)SC1COC(=O)O1 62a_100000211941_100000032252 [0,1,0,1,0,0|2,0,0]=4 8222 B11R1.160 CC(C)(C)CSC1CCC1=O 62a_100009892977_100011219605 [0,1,0,1,0,0|2,0,0]=4 8223 B11R1.160 CC(C)(C)CSC1CCC1=O 62a_100011219605_100009892977 [0,1,0,1,0,0|2,0,0]=4 8224 B11R1.160 CC(C)(F)COC1CCC1=O 34a_100000716592_100009892977 [0,1,0,1,0,0|2,0,0]=4 8225 B11R1.160 CC(C)(F)CSC1CCC1=O 62a_100009892977_100011997219 [0,1,0,1,0,0|2,0,0]=4 8226 B11R1.160 CC(C)(F)CSC1CCC1=O 62a_100011997219_100009892977 [0,1,0,1,0,0|2,0,0]=4 8227 B11R1.160 CC(C)(O)CSC1CCC1=O 62a_100000764493_100009892977 [0,1,0,1,0,0|2,0,0]=4 8228 B11R1.160 CC(C)(O)CSC1CCC1=O 62a_100009892977_100000764493 [0,1,0,1,0,0|2,0,0]=4 8229 B11R1.344 CC(C)(C)CCOC1CCC1 34a_100000748187_100000755188 [0,1,0,1,0,0|1,0,1]=4 8230 B11R1.344 CC(C)(O)CCOC1CCC1 34a_100000748187_100000702414 [0,1,0,1,0,0|1,0,1]=4 8231 B11R1.522 CC(C)(C)CCOC1(CC1)C 7a_100011725673_100000755188 [0,1,0,1,0,0|1,0,1]=4 8232 B11R1.522 CC(C)(O)CCOC1(CC1)C 7a_100011725673_100000702414 [0,1,0,1,0,0|1,0,1]=4 8233 B11R1.6 CCS(=O)(=O)N1CC[C@H](C1)C 270084a_100016987628_100000211323 [0,1,0,1,0,0|2,0,0]=4 8234 B11R1.6 CCS(=O)(=O)N1CC[C@H](C1)C 274078a_100016987628_100000211323 [0,1,0,1,0,0|2,0,0]=4 8235 B11R1.6 CCS(=O)(=O)N1CC[C@H](C1)C 40a_100016987628_100000053943 [0,1,0,1,0,0|2,0,0]=4 8236 B11R1.140 CCC(C)(C)OCCC1CC1 7a_100000210230_100000764125 [0,1,0,1,0,0|1,0,1]=4 8237 B11R1.140 CCC(C)(C)OCCC1CC1 7a_100000754188_100000210677 [0,1,0,1,0,0|1,0,1]=4 8238 B11R1.140 CCS(=O)(=O)NCCC1CC1 270084a_100000764129_100000211323 [0,1,0,1,0,0|2,0,0]=4 8239 B11R1.140 CCS(=O)(=O)NCCC1CC1 274078a_100000764129_100000211323 [0,1,0,1,0,0|2,0,0]=4 8240 B11R1.140 CCS(=O)(=O)NCCC1CC1 40a_100000764129_100000053943 [0,1,0,1,0,0|2,0,0]=4 8241 B11R1.407 CC(C)CCOC1(CC1)C#N 34a_100000210254_100009889376 [0,1,0,1,0,0|1,0,1]=4 8242 B11R1.619 CCC(C)(C)OCC1CC1C 7a_100000744939_100000210677 [0,1,0,1,0,0|1,0,1]=4 8243 B11R1.171 C#CC(CC)OCCC1CC1 34a_100000758843_100000694398 [0,1,0,1,0,0|1,0,1]=4 8244 B11R1.171 C#CC(CC)OCCC1CC1 7a_100000758843_100000764125 [0,1,0,1,0,0|1,0,1]=4 8245 B11R1.171 C=CC(CC)OCCC1CC1 34a_100000766422_100000694398 [0,1,0,1,0,0|1,0,1]=4 8246 B11R1.171 C=CC(CC)OCCC1CC1 7a_100000766422_100000764125 [0,1,0,1,0,0|1,0,1]=4 8247 B11R1.171 CCC(CC)OCCC1CC1 7a_100000688536_100000764125 [0,1,0,1,0,0|1,0,1]=4 8248 B11R1.171 CCC(CC)OCCC1CC1 7a_100000754188_100000210505 [0,1,0,1,0,0|1,0,1]=4 8249 B11R1.493 CCC(CC)OCC1CC1C 7a_100000744939_100000210505 [0,1,0,1,0,0|1,0,1]=4 8250 B11R1.142 CC(C)C(C)OC1CCC1=O 7a_100000748068_100009892977 [0,1,0,1,0,0|2,0,0]=4 8251 B11R1.226 CCC(=O)N1C[C@@H]([C@H](C1)F)O 11a_100020590056_100000210414 [0,1,0,1,0,0|2,0,0]=4 8252 B11R1.226 CCC(=O)N1C[C@@H]([C@H](C1)F)O 240690a_100020590056_100000210414 [0,1,0,1,0,0|2,0,0]=4 8253 B11R1.226 CCC(=O)N1C[C@@H]([C@H](C1)F)O 527a_100020590056_100000210414 [0,1,0,1,0,0|2,0,0]=4 8254 B11R1.226 CCC(=O)N1C[C@H]([C@H](C1)F)F 11a_100103146936_100000210414 [0,1,0,1,0,0|2,0,0]=4 8255 B11R1.226 CCC(=O)N1C[C@H]([C@H](C1)F)F 1626a_100103146936_100000210414 [0,1,0,1,0,0|2,0,0]=4 8256 B11R1.226 CCC(=O)N1C[C@H]([C@H](C1)F)F 240690a_100103146936_100000210414 [0,1,0,1,0,0|2,0,0]=4 8257 B11R1.226 CCC(=O)N1C[C@H]([C@H](C1)F)F 527a_100103146936_100000210414 [0,1,0,1,0,0|2,0,0]=4 8258 B11R1.226 CCC(=O)N1C[C@H]([C@H](C1)O)C 11a_200015306588_100000210414 [0,1,0,1,0,0|1,0,0]=3 8259 B11R1.226 CCC(=O)N1C[C@H]([C@H](C1)O)C 240690a_200015306588_100000210414 [0,1,0,1,0,0|1,0,0]=3 8260 B11R1.226 CCC(=O)N1C[C@H]([C@H](C1)O)C 527a_200015306588_100000210414 [0,1,0,1,0,0|1,0,0]=3 8261 B11R1.226 CCC(=O)N1C[C@H]([C@H](C1)O)O 11a_100015207562_100000210414 [0,1,0,1,0,0|2,0,0]=4 8262 B11R1.226 CCC(=O)N1C[C@H]([C@H](C1)O)O 240690a_100015207562_100000210414 [0,1,0,1,0,0|2,0,0]=4 8263 B11R1.226 CCC(=O)N1C[C@H]([C@H](C1)O)O 527a_100015207562_100000210414 [0,1,0,1,0,0|2,0,0]=4 8264 B11R1.226 CNC(=O)N1C[C@H]([C@H](C1)O)C 2708a_100102657272_200015306588 [0,1,0,1,0,0|2,0,0]=4 8265 B11R1.226 CNC(=O)N1C[C@H]([C@H](C1)O)C 273464a_100102657272_200015306588 [0,1,0,1,0,0|2,0,0]=4 8266 B11R1.226 C[C@@H]1CN(C[C@@H]1O)C(=O)CO 240690a_200015306588_100000210174 [0,1,0,1,0,0|2,0,0]=4 8267 B11R1.226 C[C@@H]1CN(C[C@@H]1O)C(=O)CO 527a_200015306588_100000210174 [0,1,0,1,0,0|2,0,0]=4 8268 B11R1.314 C=C(C)C(=O)N1CC[C@H](C1)C 11a_100016987628_100000185857 [0,1,0,1,0,0|1,0,1]=4 8269 B11R1.314 CC(C)C(=O)C1CCC(=O)N1 1458a_100000210400_100000210206 [0,1,0,1,0,0|1,0,1]=4 8270 B11R1.314 CC(C)C(=O)C1CCC(C1)O 1458a_100000688591_100000210206 [0,1,0,1,0,0|2,0,0]=4 8271 B11R1.314 CC(C)C(=O)C1CCN(C1)C 1458a_100000739633_100000210206 [0,1,0,1,0,0|2,0,0]=4 8272 B11R1.314 CC(C)C(=O)N1CCC(C1)O 240690a_100011215560_100000210198 [0,1,0,1,0,0|2,0,0]=4 8273 B11R1.314 CC(C)C(=O)N1CCC(C1)O 527a_100011215560_100000210198 [0,1,0,1,0,0|2,0,0]=4 8274 B11R1.314 CC(C)C(=O)N1CC[C@@H](C1)F 11a_100015203821_100000210198 [0,1,0,1,0,0|2,0,0]=4 8275 B11R1.314 CC(C)C(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000210198 [0,1,0,1,0,0|2,0,0]=4 8276 B11R1.314 CC(C)C(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000210198 [0,1,0,1,0,0|2,0,0]=4 8277 B11R1.314 CC(C)C(=O)N1CC[C@@H](C1)F 527a_100015203821_100000210198 [0,1,0,1,0,0|2,0,0]=4 8278 B11R1.314 CC(C)C(=O)N1CC[C@H](C1)C 11a_100016987628_100000210198 [0,1,0,1,0,0|1,0,0]=3 8279 B11R1.314 CC(C)C(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210198 [0,1,0,1,0,0|1,0,0]=3 8280 B11R1.314 CC(C)C(=O)N1CC[C@H](C1)C 527a_100016987628_100000210198 [0,1,0,1,0,0|1,0,0]=3 8281 B11R1.314 CC(C)C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210206 [0,1,0,1,0,0|0,0,1]=3 8282 B11R1.314 CC(F)C(=O)N1CCC(C1)O 240690a_100011215560_100000062450 [0,1,0,1,0,0|2,0,0]=4 8283 B11R1.314 CC(F)C(=O)N1CCC(C1)O 527a_100011215560_100000062450 [0,1,0,1,0,0|2,0,0]=4 8284 B11R1.314 CC(F)C(=O)N1CC[C@@H](C1)F 11a_100015203821_100000062450 [0,1,0,1,0,0|2,0,0]=4 8285 B11R1.314 CC(F)C(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000062450 [0,1,0,1,0,0|2,0,0]=4 8286 B11R1.314 CC(F)C(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000062450 [0,1,0,1,0,0|2,0,0]=4 8287 B11R1.314 CC(F)C(=O)N1CC[C@@H](C1)F 527a_100015203821_100000062450 [0,1,0,1,0,0|2,0,0]=4 8288 B11R1.314 CC(F)C(=O)N1CC[C@H](C1)C 11a_100016987628_100000062450 [0,1,0,1,0,0|1,0,0]=3 8289 B11R1.314 CC(F)C(=O)N1CC[C@H](C1)C 240690a_100016987628_100000062450 [0,1,0,1,0,0|1,0,0]=3 8290 B11R1.314 CC(F)C(=O)N1CC[C@H](C1)C 527a_100016987628_100000062450 [0,1,0,1,0,0|1,0,0]=3 8291 B11R1.314 CN(C)C(=O)[C@@H]1CCC(=O)O1 11a_100102631434_100009814974 [0,1,0,1,0,0|1,0,1]=4 8292 B11R1.314 CN(C)C(=O)[C@@H]1CCC(=O)O1 1626a_100102631434_100009814974 [0,1,0,1,0,0|1,0,1]=4 8293 B11R1.314 CN(C)C(=O)[C@@H]1CCC(=O)O1 240690a_100102631434_100009814974 [0,1,0,1,0,0|1,0,1]=4 8294 B11R1.314 CN(C)C(=O)[C@@H]1CCC(=O)O1 527a_100102631434_100009814974 [0,1,0,1,0,0|1,0,1]=4 8295 B11R1.314 C[C@@H](O)C(=O)N1CCC(C1)O 240690a_100011215560_100000717761 [0,1,0,1,0,0|2,0,0]=4 8296 B11R1.314 C[C@@H](O)C(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000717761 [0,1,0,1,0,0|2,0,0]=4 8297 B11R1.314 C[C@@H]1CCN(C1)C(=O)C(F)F 11a_100016987628_100000210393 [0,1,0,1,0,0|2,0,0]=4 8298 B11R1.314 C[C@@H]1CCN(C1)C(=O)C(F)F 240690a_100016987628_100000210393 [0,1,0,1,0,0|2,0,0]=4 8299 B11R1.314 C[C@@H]1CCN(C1)C(=O)C(F)F 527a_100016987628_100000210393 [0,1,0,1,0,0|2,0,0]=4 8300 B11R1.314 C[C@@H]1CCN(C1)C(=O)C(O)O 240690a_100016987628_100000233687 [0,1,0,1,0,0|2,0,0]=4 8301 B11R1.314 C[C@@H]1CCN(C1)C(=O)[C@@H](C)O 240690a_100016987628_100000717761 [0,1,0,1,0,0|1,0,0]=3 8302 B11R1.314 C[C@@H]1CCN(C1)C(=O)[C@H](C)O 240690a_100016987628_217856618621 [0,1,0,1,0,0|1,0,0]=3 8303 B11R1.314 C[C@H](O)C(=O)N1CCC(C1)O 240690a_100011215560_217856618621 [0,1,0,1,0,0|2,0,0]=4 8304 B11R1.314 C[C@H](O)C(=O)N1CC[C@@H](C1)F 1626a_100015203821_217856618621 [0,1,0,1,0,0|2,0,0]=4 8305 B11R1.314 C[C@H](O)C(=O)N1CC[C@@H](C1)F 240690a_100015203821_217856618621 [0,1,0,1,0,0|2,0,0]=4 8306 B11R1.332 CC(C)[C@@H](N)COC1CCC1 34a_100011830312_100000749161 [0,1,0,1,0,0|1,0,1]=4 8307 B11R1.524 CCC(=O)COC(C)C1CC1 1458a_200000137917_100000210202 [0,1,0,1,0,0|2,0,0]=4 8308 B11R1.524 CCC(=O)COC(C)C1CC1 7a_100000744524_100000747405 [0,1,0,1,0,0|2,0,0]=4 8309 B11R1.524 CCC(=O)NCC(O)C1CC1 11a_100000751198_100000210414 [0,1,0,1,0,0|1,0,0]=3 8310 B11R1.524 CCC(=O)NCC(O)C1CC1 240690a_100000751198_100000210414 [0,1,0,1,0,0|1,0,0]=3 8311 B11R1.524 CCC(=O)NCC(O)C1CC1 527a_100000751198_100000210414 [0,1,0,1,0,0|1,0,0]=3 8312 B11R1.524 CCC(C)OC[C@H](N)C1CC1 34a_100020623730_100011215416 [0,1,0,1,0,0|1,0,1]=4 8313 B11R1.524 CNC(=O)NCC(O)C1CC1 2708a_100102657272_100000751198 [0,1,0,1,0,0|2,0,0]=4 8314 B11R1.524 CNC(=O)NCC(O)C1CC1 273464a_100000751198_100102657272 [0,1,0,1,0,0|2,0,0]=4 8315 B11R1.524 CNC(=O)NCC(O)C1CC1 273464a_100102657272_100000751198 [0,1,0,1,0,0|2,0,0]=4 8316 B11R1.524 CNC(=O)NCC(O)C1CC1 512a_106832991638_100000751198 [0,1,0,1,0,0|2,0,0]=4 8317 B11R1.524 O=C(CO)NCC(O)C1CC1 240690a_100000751198_100000210174 [0,1,0,1,0,0|2,0,0]=4 8318 B11R1.524 O=C(CO)NCC(O)C1CC1 527a_100000751198_100000210174 [0,1,0,1,0,0|2,0,0]=4 8319 B11R1.153 CC(C)C(=O)NC1CC(C1)F 11a_100016993743_100000210198 [0,1,0,1,0,0|2,0,0]=4 8320 B11R1.153 CC(C)C(=O)NC1CC(C1)F 1626a_100016993743_100000210198 [0,1,0,1,0,0|2,0,0]=4 8321 B11R1.153 CC(C)C(=O)NC1CC(C1)F 240690a_100016993743_100000210198 [0,1,0,1,0,0|2,0,0]=4 8322 B11R1.153 CC(C)C(=O)NC1CC(C1)F 527a_100016993743_100000210198 [0,1,0,1,0,0|2,0,0]=4 8323 B11R1.153 CC(C)C(=O)NC1CN(C1)C 240690a_100015196640_100000210198 [0,1,0,1,0,0|2,0,0]=4 8324 B11R1.153 CC(C)C(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000210198 [0,1,0,1,0,0|2,0,0]=4 8325 B11R1.153 CC(C)C(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000210198 [0,1,0,1,0,0|2,0,0]=4 8326 B11R1.153 CC(C)C(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210198 [0,1,0,1,0,0|2,0,0]=4 8327 B11R1.153 CC(C)C(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000210198 [0,1,0,1,0,0|2,0,0]=4 8328 B11R1.153 CC(F)C(=O)NC1CC(C1)F 11a_100016993743_100000062450 [0,1,0,1,0,0|2,0,0]=4 8329 B11R1.153 CC(F)C(=O)NC1CC(C1)F 1626a_100016993743_100000062450 [0,1,0,1,0,0|2,0,0]=4 8330 B11R1.153 CC(F)C(=O)NC1CC(C1)F 240690a_100016993743_100000062450 [0,1,0,1,0,0|2,0,0]=4 8331 B11R1.153 CC(F)C(=O)NC1CC(C1)F 527a_100016993743_100000062450 [0,1,0,1,0,0|2,0,0]=4 8332 B11R1.153 CC(F)C(=O)NC1CN(C1)C 240690a_100015196640_100000062450 [0,1,0,1,0,0|2,0,0]=4 8333 B11R1.153 CC(F)C(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000062450 [0,1,0,1,0,0|2,0,0]=4 8334 B11R1.153 CC(F)C(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000062450 [0,1,0,1,0,0|2,0,0]=4 8335 B11R1.153 CC(F)C(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000062450 [0,1,0,1,0,0|2,0,0]=4 8336 B11R1.153 CC(F)C(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000062450 [0,1,0,1,0,0|2,0,0]=4 8337 B11R1.153 CC1CN(C1)CC(=O)C(C)C 2230a_100000702820_100000753385 [0,1,0,1,0,0|2,0,0]=4 8338 B11R1.153 CC1CN(C1)CC(=O)C(C)C 269982a_100000702820_100000753385 [0,1,0,1,0,0|2,0,0]=4 8339 B11R1.153 CC1CN(C1)CC(=O)C(C)C 34a_100000702820_100000753385 [0,1,0,1,0,0|2,0,0]=4 8340 B11R1.153 C[C@@H](O)C(=O)NC1CC(C1)F 240690a_100016993743_100000717761 [0,1,0,1,0,0|2,0,0]=4 8341 B11R1.153 C[C@@H](O)C(=O)NC1CN(C1)C 240690a_100015196640_100000717761 [0,1,0,1,0,0|2,0,0]=4 8342 B11R1.153 C[C@@H](O)C(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000717761 [0,1,0,1,0,0|2,0,0]=4 8343 B11R1.153 C[C@H](O)C(=O)NC1CC(C1)F 1626a_100016993743_217856618621 [0,1,0,1,0,0|2,0,0]=4 8344 B11R1.153 C[C@H](O)C(=O)NC1CC(C1)F 240690a_100016993743_217856618621 [0,1,0,1,0,0|2,0,0]=4 8345 B11R1.153 C[C@H](O)C(=O)NC1CN(C1)C 240690a_100015196640_217856618621 [0,1,0,1,0,0|2,0,0]=4 8346 B11R1.153 C[C@H](O)C(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_217856618621 [0,1,0,1,0,0|2,0,0]=4 8347 B11R1.153 C[C@H](O)C(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_217856618621 [0,1,0,1,0,0|2,0,0]=4 8348 B11R1.333 C=C(C)C(=O)NCCC1CC1 1626a_100000764129_100000185857 [0,1,0,1,0,0|1,0,1]=4 8349 B11R1.333 CC(C)C(=O)CCCC1CO1 1458a_100000210198_100000733510 [0,1,0,1,0,0|2,0,0]=4 8350 B11R1.333 CC(C)C(=O)CNCC1CC1 2230a_100000735609_100000753385 [0,1,0,1,0,0|2,0,0]=4 8351 B11R1.333 CC(C)C(=O)CNCC1CC1 34a_100000735609_100000753385 [0,1,0,1,0,0|2,0,0]=4 8352 B11R1.333 CC(C)C(=O)COCC1CC1 34a_100000211283_100000753385 [0,1,0,1,0,0|2,0,0]=4 8353 B11R1.333 CC(C)C(=O)CSCC1CC1 1458a_200011316215_100000210206 [0,1,0,1,0,0|2,0,0]=4 8354 B11R1.333 CC(C)C(=O)CSCC1CC1 62a_100000753385_100000742324 [0,1,0,1,0,0|2,0,0]=4 8355 B11R1.333 CC(C)C(=O)CSCC1CC1 62a_100000756562_100000753385 [0,1,0,1,0,0|2,0,0]=4 8356 B11R1.333 CC(C)C(=O)NCCC1CC1 1626a_100000764129_100000210198 [0,1,0,1,0,0|1,0,0]=3 8357 B11R1.333 CC(C)C(=O)NCCC1CC1 240690a_100000764129_100000210198 [0,1,0,1,0,0|1,0,0]=3 8358 B11R1.333 CC(C)C(=O)NCCC1CC1 527a_100000764129_100000210198 [0,1,0,1,0,0|1,0,0]=3 8359 B11R1.333 CC(C)C(=O)NNCC1CC1 22a_100000736359_100000210198 [0,1,0,1,0,0|2,0,0]=4 8360 B11R1.333 CC(C)C(=O)OCSC1CC1 62a_100000139345_100000211595 [0,1,0,1,0,0|1,0,0]=3 8361 B11R1.333 CC(C)C(C)OCCC1CC1 7a_100000748068_100000764125 [0,1,0,1,0,0|1,0,1]=4 8362 B11R1.333 CC(F)C(=O)CCCC1CO1 1458a_100000062450_100000733510 [0,1,0,1,0,0|2,0,0]=4 8363 B11R1.333 CC(F)C(=O)NCCC1CC1 1626a_100000764129_100000062450 [0,1,0,1,0,0|1,0,0]=3 8364 B11R1.333 CC(F)C(=O)NCCC1CC1 240690a_100000764129_100000062450 [0,1,0,1,0,0|1,0,0]=3 8365 B11R1.333 CC(F)C(=O)NCCC1CC1 527a_100000764129_100000062450 [0,1,0,1,0,0|1,0,0]=3 8366 B11R1.333 CC(F)C(=O)NNCC1CC1 22a_100000736359_100000062450 [0,1,0,1,0,0|2,0,0]=4 8367 B11R1.333 CN(C)C(=O)NCCC1CC1 2708a_100000764129_100102631434 [0,1,0,1,0,0|2,0,0]=4 8368 B11R1.333 C[C@@H](O)C(=O)CCCC1CO1 1458a_100000717761_100000733510 [0,1,0,1,0,0|2,0,0]=4 8369 B11R1.333 C[C@@H](O)C(=O)NCCC1CC1 240690a_100000764129_100000717761 [0,1,0,1,0,0|1,0,0]=3 8370 B11R1.333 C[C@@H](O)C(=O)NNCC1CC1 22a_100000736359_100000717761 [0,1,0,1,0,0|2,0,0]=4 8371 B11R1.333 C[C@H](O)C(=O)CCCC1CO1 1458a_217856618621_100000733510 [0,1,0,1,0,0|2,0,0]=4 8372 B11R1.333 C[C@H](O)C(=O)NCCC1CC1 1626a_100000764129_217856618621 [0,1,0,1,0,0|1,0,0]=3 8373 B11R1.333 C[C@H](O)C(=O)NCCC1CC1 240690a_100000764129_217856618621 [0,1,0,1,0,0|1,0,0]=3 8374 B11R1.333 C[C@H](O)C(=O)NNCC1CC1 22a_100000736359_217856618621 [0,1,0,1,0,0|2,0,0]=4 8375 B11R1.333 O=C(NCCC1CC1)C(F)F 1626a_100000764129_100000210393 [0,1,0,1,0,0|2,0,0]=4 8376 B11R1.333 O=C(NCCC1CC1)C(F)F 240690a_100000764129_100000210393 [0,1,0,1,0,0|2,0,0]=4 8377 B11R1.333 O=C(NCCC1CC1)C(F)F 527a_100000764129_100000210393 [0,1,0,1,0,0|2,0,0]=4 8378 B11R1.333 O=C(NCCC1CC1)C(O)O 240690a_100000764129_100000233687 [0,1,0,1,0,0|2,0,0]=4 8379 B11R2.914 CCC(=O)N1CC2CC2C1 11a_100000741873_100000210414 [0,0,0,2,0,0|1,0,0]=3 8380 B11R2.914 CCC(=O)N1CC2CC2C1 1626a_100000741873_100000210414 [0,0,0,2,0,0|1,0,0]=3 8381 B11R2.914 CCC(=O)N1CC2CC2C1 240690a_100000741873_100000210414 [0,0,0,2,0,0|1,0,0]=3 8382 B11R2.914 CCC(=O)N1CC2CC2C1 527a_100000741873_100000210414 [0,0,0,2,0,0|1,0,0]=3 8383 B11R2.914 CNC(=O)N1CC2CC2C1 2708a_100102657272_100000741873 [0,0,0,2,0,0|2,0,0]=4 8384 B11R2.914 CNC(=O)N1CC2CC2C1 273464a_100102657272_100000741873 [0,0,0,2,0,0|2,0,0]=4 8385 B11R2.914 O=C(CO)N1CC2CC2C1 240690a_100000741873_100000210174 [0,0,0,2,0,0|2,0,0]=4 8386 B11R2.914 O=C(CO)N1CC2CC2C1 527a_100000741873_100000210174 [0,0,0,2,0,0|2,0,0]=4 8387 B11R2.351 O=C1CCC(C1)OC2CC2 34a_100012614533_100000211595 [0,0,0,2,0,0|2,0,0]=4 8388 B11R2.351 O=C1OCC(O1)NC2CC2 34a_100000212008_100000032252 [0,0,0,2,0,0|2,0,0]=4 8389 B11R2.113 CC1CN(C1)C2CCC2=O 269982a_100000702820_100009892977 [0,0,0,2,0,0|2,0,0]=4 8390 B11R2.113 CC1CN(C1)C2CCC2=O 34a_100000702820_100009892977 [0,0,0,2,0,0|2,0,0]=4 8391 B11R2.362 O=C1CCC1NCC2CC2 34a_100000735609_100009892977 [0,0,0,2,0,0|2,0,0]=4 8392 B11R2.362 O=C1CCC1OCC2CC2 34a_100000211283_100009892977 [0,0,0,2,0,0|2,0,0]=4 8393 B11R2.362 O=C1CCC1SCC2CC2 62a_100000756562_100009892977 [0,0,0,2,0,0|2,0,0]=4 8394 B11R2.362 O=C1CCC1SCC2CC2 62a_100009892977_100000742324 [0,0,0,2,0,0|2,0,0]=4 8395 B11R2.774 CC1CC1COC2CCC2 34a_100000744939_100000749161 [0,0,0,2,0,0|1,0,1]=4 8396 B11R2.1039 C1CC(C1)OCCC2CC2 34a_100000748187_100000694398 [0,0,0,2,0,0|1,0,1]=4 8397 B11R2.1039 C1CC(C1)OCCC2CC2 34a_100000754188_100000749161 [0,0,0,2,0,0|1,0,1]=4 8398 B11R2.924 CCC(=O)NC12CC(C1)C2 11a_100016993715_100000210414 [0,0,0,2,0,0|1,0,0]=3 8399 B11R2.924 CCC(=O)NC12CC(C1)C2 1626a_100016993715_100000210414 [0,0,0,2,0,0|1,0,0]=3 8400 B11R2.924 CCC(=O)NC12CC(C1)C2 240690a_100016993715_100000210414 [0,0,0,2,0,0|1,0,0]=3 8401 B11R2.924 CCC(=O)NC12CC(C1)C2 527a_100016993715_100000210414 [0,0,0,2,0,0|1,0,0]=3 8402 B11R2.924 CNC(=O)NC12CC(C1)C2 2708a_100102657272_100016993715 [0,0,0,2,0,0|2,0,0]=4 8403 B11R2.924 CNC(=O)NC12CC(C1)C2 273464a_100016993715_100102657272 [0,0,0,2,0,0|2,0,0]=4 8404 B11R2.924 CNC(=O)NC12CC(C1)C2 273464a_100102657272_100016993715 [0,0,0,2,0,0|2,0,0]=4 8405 B11R2.924 CNC(=O)NC12CC(C1)C2 512a_100016993715_100102657272 [0,0,0,2,0,0|2,0,0]=4 8406 B11R2.924 CNC(=O)NC12CC(C1)C2 512a_106832991638_100016993715 [0,0,0,2,0,0|2,0,0]=4 8407 B11R2.924 O=C(CO)NC12CC(C1)C2 240690a_100016993715_100000210174 [0,0,0,2,0,0|2,0,0]=4 8408 B11R2.924 O=C(CO)NC12CC(C1)C2 527a_100016993715_100000210174 [0,0,0,2,0,0|2,0,0]=4 8409 B11R2.1550 CC1(CC1)OCCC2CC2 7a_100011725673_100000764125 [0,0,0,2,0,0|1,0,1]=4 8410 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,0,0,0,1,0|0,0,2]=4 8411 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,0,0,0,1,0|0,0,2]=4 8412 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,0,0,0,1,0|0,0,2]=4 8413 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [1,0,0,0,1,0|2,0,0]=4 8414 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [1,0,0,0,1,0|2,0,0]=4 8415 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [1,0,0,0,1,0|2,0,0]=4 8416 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [1,0,0,0,1,0|2,0,0]=4 8417 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [1,0,0,0,1,0|2,0,0]=4 8418 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [1,0,0,0,1,0|2,0,0]=4 8419 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [1,0,0,0,1,0|2,0,0]=4 8420 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [1,0,0,0,1,0|2,0,0]=4 8421 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,0,0,0,1,0|0,0,2]=4 8422 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [1,0,0,0,1,0|0,0,2]=4 8423 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,0,0,0,1,0|0,0,2]=4 8424 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,0,0,0,1,0|0,0,2]=4 8425 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,0,0,0,1,0|0,0,0]=2 8426 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,0,0,0,1,0|0,0,0]=2 8427 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,0,0,0,1,0|1,0,0]=3 8428 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,0,0,0,1,0|1,0,0]=3 8429 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,0,0,0,1,0|1,0,0]=3 8430 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [1,0,0,0,1,0|1,0,1]=4 8431 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,0,0,0,1,0|1,0,0]=3 8432 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,0,0,0,1,0|1,0,0]=3 8433 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,0,0,0,1,0|1,0,0]=3 8434 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,0,0,0,1,0|1,0,0]=3 8435 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,0,0,0,1,0|1,0,0]=3 8436 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,0,0,0,1,0|1,0,0]=3 8437 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,0,0,0,1,0|1,0,0]=3 8438 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,0,0,0,1,0|2,0,0]=4 8439 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,0,0,0,1,0|2,0,0]=4 8440 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,0,0,0,1,0|2,0,0]=4 8441 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [1,0,0,0,1,0|2,0,0]=4 8442 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [1,0,0,0,1,0|1,0,1]=4 8443 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [1,0,0,0,1,0|1,0,0]=3 8444 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [1,0,0,0,1,0|0,0,2]=4 8445 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,0,0,0,1,0|0,0,0]=2 8446 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [1,0,0,0,1,0|2,0,0]=4 8447 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [1,0,0,0,1,0|2,0,0]=4 8448 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [1,0,0,0,1,0|2,0,0]=4 8449 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [1,0,0,0,1,0|2,0,0]=4 8450 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [1,0,0,0,1,0|2,0,0]=4 8451 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [1,0,0,0,1,0|2,0,0]=4 8452 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [1,0,0,0,1,0|1,0,1]=4 8453 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [1,0,0,0,1,0|1,0,1]=4 8454 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [1,0,0,0,1,0|2,0,0]=4 8455 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [1,0,0,0,1,0|2,0,0]=4 8456 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [1,0,0,0,1,0|2,0,0]=4 8457 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,0,0,0,1,0|2,0,0]=4 8458 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [1,0,0,0,1,0|2,0,0]=4 8459 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [1,0,0,0,1,0|2,0,0]=4 8460 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,0,0,0,1,0|1,0,0]=3 8461 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [1,0,0,0,1,0|2,0,0]=4 8462 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [1,0,0,0,1,0|2,0,0]=4 8463 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [1,0,0,0,1,0|2,0,0]=4 8464 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,0,0,0,1,0|1,0,0]=3 8465 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [1,0,0,0,1,0|2,0,0]=4 8466 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [1,0,0,0,1,0|2,0,0]=4 8467 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [1,0,0,0,1,0|2,0,0]=4 8468 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [1,0,0,0,1,0|2,0,0]=4 8469 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [1,0,0,0,1,0|2,0,0]=4 8470 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [1,0,0,0,1,0|2,0,0]=4 8471 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,0,0,0,1,0|1,0,0]=3 8472 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [0,0,0,0,2,0|0,0,2]=4 8473 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,0,0,0,2,0|0,0,2]=4 8474 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,0,0,0,2,0|0,0,2]=4 8475 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,0,0,0,2,0|1,0,0]=3 8476 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,0,0,0,2,0|1,0,0]=3 8477 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,0,0,0,2,0|2,0,0]=4 8478 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,0,0,0,2,0|2,0,0]=4 8479 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,0,0,0,2,0|2,0,0]=4 8480 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,0,0,0,2,0|0,0,2]=4 8481 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,0,0,0,2,0|1,0,1]=4 8482 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,0,0,0,2,0|0,0,0]=2 8483 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,0,0,0,2,0|0,0,0]=2 8484 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,0,0,0,2,0|1,0,0]=3 8485 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [0,0,0,0,2,0|2,0,0]=4 8486 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,0,0,0,2,0|1,0,0]=3 8487 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,0,0,0,2,0|1,0,0]=3 8488 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,0,0,0,2,0|1,0,0]=3 8489 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,0,0,0,2,0|1,0,0]=3 8490 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,0,0,0,2,0|1,0,0]=3 8491 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,0,0,0,2,0|1,0,0]=3 8492 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,0,0,0,2,0|1,0,0]=3 8493 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,0,0,0,2,0|1,0,0]=3 8494 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,0,0,0,2,0|1,0,1]=4 8495 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,0,0,0,2,0|1,0,1]=4 8496 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [0,0,0,0,2,0|2,0,0]=4 8497 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [0,0,0,0,2,0|2,0,0]=4 8498 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [0,0,0,0,2,0|2,0,0]=4 8499 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [0,0,0,0,2,0|2,0,0]=4 8500 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [0,0,0,0,2,0|2,0,0]=4 8501 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [0,0,0,0,2,0|2,0,0]=4 8502 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [0,0,0,0,2,0|2,0,0]=4 8503 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [0,0,0,0,2,0|2,0,0]=4 8504 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [0,0,0,0,2,0|2,0,0]=4 8505 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,0,0,0,2,0|1,0,0]=3 8506 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,0,0,0,2,0|1,0,0]=3 8507 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,0,0,0,2,0|1,0,0]=3 8508 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,0,0,0,2,0|1,0,0]=3 8509 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,0,0,0,2,0|2,0,0]=4 8510 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,0,0,0,2,0|2,0,0]=4 8511 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,0,0,0,2,0|2,0,0]=4 8512 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,0,0,0,2,0|2,0,0]=4 8513 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,0,0,0,2,0|2,0,0]=4 8514 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,0,0,0,2,0|2,0,0]=4 8515 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,0,0,0,2,0|2,0,0]=4 8516 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,0,0,0,2,0|2,0,0]=4 8517 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [0,0,0,0,2,0|2,0,0]=4 8518 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [0,0,0,0,2,0|2,0,0]=4 8519 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [0,0,0,0,2,0|2,0,0]=4 8520 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [0,0,0,0,2,0|2,0,0]=4 8521 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,0,0,0,2,0|2,0,0]=4 8522 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,0,0,0,2,0|2,0,0]=4 8523 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,0,0,0,2,0|2,0,0]=4 8524 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,0,0,0,2,0|2,0,0]=4 8525 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,0,0,0,2,0|2,0,0]=4 8526 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,0,0,0,2,0|2,0,0]=4 8527 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,0,0,0,2,0|2,0,0]=4 8528 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,0,0,0,2,0|2,0,0]=4 8529 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,0,0,0,2,0|2,0,0]=4 8530 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,0,0,0,2,0|2,0,0]=4 8531 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [0,0,0,0,2,0|2,0,0]=4 8532 B11R0.111 C=C(C)COCCOC(=O)CC 7a_200000031056_100000748629 [0,0,0,0,0,2|0,0,2]=4 8533 B11R0.111 C=CC(=O)OCCNCC(C)C 2230a_100000210953_100009813456 [0,0,0,0,0,2|0,0,2]=4 8534 B11R0.111 C=CC(=O)OCCNCC(C)C 34a_100000210953_100009813456 [0,0,0,0,0,2|0,0,2]=4 8535 B11R0.111 C=CC(=O)OCCOCC(C)C 34a_100000210257_100009813456 [0,0,0,0,0,2|0,0,2]=4 8536 B11R0.111 C=CC(=O)OCCSCC(C)C 62a_100000210624_100009813456 [0,0,0,0,0,2|0,0,2]=4 8537 B11R0.111 C=CC(=O)OCCSCC(C)C 62a_100009813456_100000210760 [0,0,0,0,0,2|0,0,2]=4 8538 B11R0.111 CC(C)CCCCCC(=O)CF 1458a_100000766313_100015361967 [0,0,0,0,0,2|2,0,0]=4 8539 B11R0.111 CC(C)CCCCCC(=O)CO 1458a_100000210174_100000210682 [0,0,0,0,0,2|2,0,0]=4 8540 B11R0.111 CC(C)OCCCNC(=O)CO 240690a_100000737246_100000210174 [0,0,0,0,0,2|2,0,0]=4 8541 B11R0.111 CC(C)OCCCNC(=O)CO 527a_100000737246_100000210174 [0,0,0,0,0,2|2,0,0]=4 8542 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000210414_100000210682 [0,0,0,0,0,2|1,0,0]=3 8543 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210202 [0,0,0,0,0,2|1,0,0]=3 8544 B11R0.111 CCC(=O)COCCC=C(C)C 34a_100000725409_100011217483 [0,0,0,0,0,2|0,0,1]=3 8545 B11R0.111 CCC(=O)COCCCC(=O)C 34a_100000725409_100000685027 [0,0,0,0,0,2|1,0,1]=4 8546 B11R0.111 CCC(=O)COCCCC(=O)C 7a_100000759063_100000747405 [0,0,0,0,0,2|1,0,1]=4 8547 B11R0.111 CCC(=O)COCCCC(C)C 34a_100000725409_100011214892 [0,0,0,0,0,2|0,0,0]=2 8548 B11R0.111 CCC(=O)COCCCC(C)C 7a_100000210774_100000747405 [0,0,0,0,0,2|0,0,0]=2 8549 B11R0.111 CCC(=O)COCCCC(C)O 34a_100000725409_200000718107 [0,0,0,0,0,2|1,0,0]=3 8550 B11R0.111 CCC(=O)COCCOC(=O)C 34a_100000725409_100009814007 [0,0,0,0,0,2|1,0,1]=4 8551 B11R0.111 CCC(=O)COCCOC(C)C 34a_100000725409_100000211751 [0,0,0,0,0,2|0,0,0]=2 8552 B11R0.111 CCC(=O)COCCOC(C)C 7a_100000211219_100000747405 [0,0,0,0,0,2|0,0,0]=2 8553 B11R0.111 CCC(=O)COCCSC(C)C 34a_100000725409_100000730970 [0,0,0,0,0,2|0,0,0]=2 8554 B11R0.111 CCC(=O)COCCSC(C)C 7a_200011212901_100000747405 [0,0,0,0,0,2|0,0,0]=2 8555 B11R0.111 CCC(=O)CSCCC=C(C)C 62a_100000747405_100011217483 [0,0,0,0,0,2|0,1,1]=4 8556 B11R0.111 CCC(=O)CSCCC=C(C)C 62a_100011217483_100000747405 [0,0,0,0,0,2|0,1,1]=4 8557 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100000747405_100011214892 [0,0,0,0,0,2|0,1,0]=3 8558 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100011214892_100000747405 [0,0,0,0,0,2|0,1,0]=3 8559 B11R0.111 CCC(=O)CSCCCC(C)O 62a_100000747405_200000718107 [0,0,0,0,0,2|1,1,0]=4 8560 B11R0.111 CCC(=O)CSCCCC(C)O 62a_200000718107_100000747405 [0,0,0,0,0,2|1,1,0]=4 8561 B11R0.111 CCC(=O)CSCCCN(C)C 62a_100000747405_100000757444 [0,0,0,0,0,2|1,1,0]=4 8562 B11R0.111 CCC(=O)CSCCOC(C)C 62a_100000211751_100000747405 [0,0,0,0,0,2|0,1,0]=3 8563 B11R0.111 CCC(=O)CSCCOC(C)C 62a_100000747405_100000211751 [0,0,0,0,0,2|0,1,0]=3 8564 B11R0.111 CCC(=O)CSCCSC(C)C 62a_100000730970_100000747405 [0,0,0,0,0,2|0,1,0]=3 8565 B11R0.111 CCC(=O)CSCCSC(C)C 62a_100000747405_100000730970 [0,0,0,0,0,2|0,1,0]=3 8566 B11R0.111 CCC(=O)NCCCCN(C)C 240690a_100025707445_100000210414 [0,0,0,0,0,2|2,0,0]=4 8567 B11R0.111 CCC(=O)NCCCOC(C)C 11a_100000737246_100000210414 [0,0,0,0,0,2|1,0,0]=3 8568 B11R0.111 CCC(=O)NCCCOC(C)C 1626a_100000737246_100000210414 [0,0,0,0,0,2|1,0,0]=3 8569 B11R0.111 CCC(=O)NCCCOC(C)C 240690a_100000737246_100000210414 [0,0,0,0,0,2|1,0,0]=3 8570 B11R0.111 CCC(=O)NCCCOC(C)C 527a_100000737246_100000210414 [0,0,0,0,0,2|1,0,0]=3 8571 B11R0.111 CCC(=O)NCCNCC(C)C 270004a_100132302217_100000210432 [0,0,0,0,0,2|1,0,0]=3 8572 B11R0.111 CCC(=O)NCCNCC(C)C 34a_100132302217_100000210624 [0,0,0,0,0,2|1,0,0]=3 8573 B11R0.111 CCC(=O)NCCNCC(C)O 34a_100132302217_100011218427 [0,0,0,0,0,2|2,0,0]=4 8574 B11R0.111 CCC(=O)NCCNC[C@@H](C)O 34a_100132302217_100009817552 [0,0,0,0,0,2|2,0,0]=4 8575 B11R0.111 CCC(=O)NCCOCC(C)C 34a_200000158885_100000210624 [0,0,0,0,0,2|1,0,0]=3 8576 B11R0.111 CCC(=O)NCCOCC(C)C 7a_200000158885_100000210760 [0,0,0,0,0,2|1,0,0]=3 8577 B11R0.111 CCC(=O)NCCOCC(C)O 34a_200000158885_100011218427 [0,0,0,0,0,2|2,0,0]=4 8578 B11R0.111 CCC(=O)NCCOCC(C)O 7a_200000158885_100011218427 [0,0,0,0,0,2|2,0,0]=4 8579 B11R0.111 CCC(=O)NCCOC[C@@H](C)O 34a_200000158885_100009817552 [0,0,0,0,0,2|2,0,0]=4 8580 B11R0.111 CCC(=O)NCCOC[C@@H](C)O 7a_200000158885_100009817552 [0,0,0,0,0,2|2,0,0]=4 8581 B11R0.111 CCC(=O)OCCOCC(C)C 7a_200000031056_100000210760 [0,0,0,0,0,2|0,0,0]=2 8582 B11R0.111 CCC(=O)OCCOCC(C)O 7a_200000031056_100011218427 [0,0,0,0,0,2|1,0,0]=3 8583 B11R0.111 CCC(=O)OCCOCC(F)F 7a_200000031056_100011934356 [0,0,0,0,0,2|2,0,0]=4 8584 B11R0.111 CCC(=O)OCCOC[C@@H](C)O 7a_200000031056_100009817552 [0,0,0,0,0,2|1,0,0]=3 8585 B11R0.111 CCC(C)CCOCCC(C)C 7a_100011215188_100000210626 [0,0,0,0,0,2|1,0,1]=4 8586 B11R0.111 CCC(C)COCCCC(C)C 34a_100000210774_100000748023 [0,0,0,0,0,2|1,0,1]=4 8587 B11R0.111 CCC(C)COCCCC(C)C 7a_100000210774_100000748023 [0,0,0,0,0,2|1,0,1]=4 8588 B11R0.111 CCC(C)COCCNC(C)C 34a_100000224655_100000748023 [0,0,0,0,0,2|1,0,1]=4 8589 B11R0.111 CCC(C)COCCOC(C)C 34a_100000211219_100000748023 [0,0,0,0,0,2|1,0,1]=4 8590 B11R0.111 CCC(C)COCCOC(C)C 7a_100000211219_100000748023 [0,0,0,0,0,2|1,0,1]=4 8591 B11R0.111 CCC(C)COCCSC(C)C 34a_200011212901_100000748023 [0,0,0,0,0,2|1,0,1]=4 8592 B11R0.111 CCC(C)COCCSC(C)C 7a_200011212901_100000748023 [0,0,0,0,0,2|1,0,1]=4 8593 B11R0.111 CCC(C)OCCCCC(C)C 34a_100011214890_100011215416 [0,0,0,0,0,2|1,0,1]=4 8594 B11R0.111 CCC(C)OCCCCC(C)C 7a_100000210228_100011216152 [0,0,0,0,0,2|1,0,1]=4 8595 B11R0.111 CCC(C)OCCCCC(C)C 7a_100011214890_100000758301 [0,0,0,0,0,2|1,0,1]=4 8596 B11R0.111 CCC(C)OCCCNC(C)C 34a_100000182298_100011215416 [0,0,0,0,0,2|1,0,1]=4 8597 B11R0.111 CCC(C)OCCNCC(C)C 34a_100015185251_100011215416 [0,0,0,0,0,2|1,0,1]=4 8598 B11R0.111 CCC(C)OCCOCC(C)C 34a_100000703358_100011215416 [0,0,0,0,0,2|1,0,1]=4 8599 B11R0.111 CCC(C)OCCOCC(C)C 7a_100000703358_100000758301 [0,0,0,0,0,2|1,0,1]=4 8600 B11R0.111 CCC(C)OCCSCC(C)C 34a_200000230437_100011215416 [0,0,0,0,0,2|1,0,1]=4 8601 B11R0.111 CCC(C)OCCSCC(C)C 7a_200000230437_100000758301 [0,0,0,0,0,2|1,0,1]=4 8602 B11R0.111 CCC(O)COCCCC(C)C 34a_100000210774_100011218378 [0,0,0,0,0,2|0,0,2]=4 8603 B11R0.111 CCC(O)COCCCC(C)C 7a_100000210774_100011218378 [0,0,0,0,0,2|0,0,2]=4 8604 B11R0.111 CCC(O)COCCNC(C)C 34a_100000224655_100011218378 [0,0,0,0,0,2|0,0,2]=4 8605 B11R0.111 CCC(O)COCCOC(C)C 34a_100000211219_100011218378 [0,0,0,0,0,2|0,0,2]=4 8606 B11R0.111 CCC(O)COCCOC(C)C 7a_100000211219_100011218378 [0,0,0,0,0,2|0,0,2]=4 8607 B11R0.111 CCC(O)COCCSC(C)C 34a_200011212901_100011218378 [0,0,0,0,0,2|0,0,2]=4 8608 B11R0.111 CCC(O)COCCSC(C)C 7a_200011212901_100011218378 [0,0,0,0,0,2|0,0,2]=4 8609 B11R0.111 CC[C@H](C)COCCCC(C)C 34a_100000210774_100009816398 [0,0,0,0,0,2|1,0,1]=4 8610 B11R0.111 CC[C@H](C)COCCCC(C)C 7a_100000210774_100009816398 [0,0,0,0,0,2|1,0,1]=4 8611 B11R0.111 CC[C@H](C)COCCCC(C)C 7a_100009816381_100011214892 [0,0,0,0,0,2|1,0,1]=4 8612 B11R0.111 CC[C@H](C)COCCNC(C)C 34a_100000224655_100009816398 [0,0,0,0,0,2|1,0,1]=4 8613 B11R0.111 CC[C@H](C)COCCOC(C)C 34a_100000211219_100009816398 [0,0,0,0,0,2|1,0,1]=4 8614 B11R0.111 CC[C@H](C)COCCOC(C)C 7a_100000211219_100009816398 [0,0,0,0,0,2|1,0,1]=4 8615 B11R0.111 CC[C@H](C)COCCOC(C)C 7a_100009816381_100000211751 [0,0,0,0,0,2|1,0,1]=4 8616 B11R0.111 CC[C@H](C)COCCSC(C)C 34a_200011212901_100009816398 [0,0,0,0,0,2|1,0,1]=4 8617 B11R0.111 CC[C@H](C)COCCSC(C)C 7a_100009816381_100000730970 [0,0,0,0,0,2|1,0,1]=4 8618 B11R0.111 CC[C@H](C)COCCSC(C)C 7a_200011212901_100009816398 [0,0,0,0,0,2|1,0,1]=4 8619 B11R0.111 CNC(=O)CCCCCC(C)C 11a_106832991635_100000766313 [0,0,0,0,0,2|2,0,0]=4 8620 B11R0.111 CNC(=O)CCCCCC(C)C 1626a_100102657272_100000766313 [0,0,0,0,0,2|2,0,0]=4 8621 B11R0.111 CNC(=O)CCCCCC(C)C 240690a_100102657272_100000766313 [0,0,0,0,0,2|2,0,0]=4 8622 B11R0.111 CNC(=O)CCCCCC(C)C 527a_100102657272_100000766313 [0,0,0,0,0,2|2,0,0]=4 8623 B11R0.111 CNC(=O)CCCNCC(C)C 2230a_100000210953_100000741757 [0,0,0,0,0,2|2,0,0]=4 8624 B11R0.111 CNC(=O)CCCNCC(C)C 2230a_100000740002_100000210760 [0,0,0,0,0,2|2,0,0]=4 8625 B11R0.111 CNC(=O)CCCNCC(C)C 270004a_100000740002_100000210432 [0,0,0,0,0,2|2,0,0]=4 8626 B11R0.111 CNC(=O)CCCNCC(C)C 34a_100000210953_100000741757 [0,0,0,0,0,2|2,0,0]=4 8627 B11R0.111 CNC(=O)CCCNCC(C)C 34a_100000740002_100000210624 [0,0,0,0,0,2|2,0,0]=4 8628 B11R0.111 CNC(=O)CCCOCC(C)C 34a_100000210257_100000741757 [0,0,0,0,0,2|2,0,0]=4 8629 B11R0.111 CNC(=O)CCCSCC(C)C 62a_100000210624_100000741757 [0,0,0,0,0,2|2,0,0]=4 8630 B11R0.111 CNC(=O)CCCSCC(C)C 62a_100000741757_100000210760 [0,0,0,0,0,2|2,0,0]=4 8631 B11R0.111 CNC(=O)CCNCCC(C)C 2230a_100000738227_100000210312 [0,0,0,0,0,2|2,0,0]=4 8632 B11R0.111 CNC(=O)CCNCCC(C)C 269862a_100000738227_100000185833 [0,0,0,0,0,2|2,0,0]=4 8633 B11R0.111 CNC(=O)CCNCCC(C)C 34a_100000738227_100000210312 [0,0,0,0,0,2|2,0,0]=4 8634 B11R0.111 CNC(=O)CCNCOC(C)C 2230a_100000738227_100000709892 [0,0,0,0,0,2|2,0,0]=4 8635 B11R0.111 CNC(=O)CCNCOC(C)C 34a_100000738227_100000709892 [0,0,0,0,0,2|2,0,0]=4 8636 B11R0.111 CNC(=O)CCOCCC(C)Br 34a_100009893172_100012179268 [0,0,0,0,0,2|2,0,0]=4 8637 B11R0.111 CNC(=O)CCOCCC(C)C 34a_100000210254_100012179268 [0,0,0,0,0,2|1,0,0]=3 8638 B11R0.111 CNC(=O)CCOCCC(C)C 34a_100000754576_100000210312 [0,0,0,0,0,2|1,0,0]=3 8639 B11R0.111 CNC(=O)CCOCCC(C)C 7a_100000210254_100000737683 [0,0,0,0,0,2|1,0,0]=3 8640 B11R0.111 CNC(=O)CCOCCC(C)O 34a_100000754576_100012276601 [0,0,0,0,0,2|2,0,0]=4 8641 B11R0.111 CNC(=O)CCOCC[C@@H](C)N 34a_100000706166_100012179268 [0,0,0,0,0,2|2,0,0]=4 8642 B11R0.111 CNC(=O)CCOCOC(C)C 34a_100000754576_100000709892 [0,0,0,0,0,2|2,0,0]=4 8643 B11R0.111 CNC(=O)CCSCCC(C)C 62a_100000210312_100000737683 [0,0,0,0,0,2|1,1,0]=4 8644 B11R0.111 CNC(=O)CCSCCC(C)C 62a_100000737683_100000210312 [0,0,0,0,0,2|1,1,0]=4 8645 B11R0.111 CNC(=O)CCSCOC(C)C 62a_100000709892_100000737683 [0,0,0,0,0,2|2,0,0]=4 8646 B11R0.111 CNC(=O)CCSCOC(C)C 62a_100000737683_100000709892 [0,0,0,0,0,2|2,0,0]=4 8647 B11R0.111 CNC(=O)CNCCCC(C)C 2230a_100000693194_100011214892 [0,0,0,0,0,2|2,0,0]=4 8648 B11R0.111 CNC(=O)CNCCCC(C)C 2230a_200000737386_100000183359 [0,0,0,0,0,2|2,0,0]=4 8649 B11R0.111 CNC(=O)CNCCCC(C)C 34a_200000737386_100000183359 [0,0,0,0,0,2|2,0,0]=4 8650 B11R0.111 CNC(=O)CNCCOC(C)C 2230a_100000693194_100000211751 [0,0,0,0,0,2|2,0,0]=4 8651 B11R0.111 CNC(=O)CNCCOC(C)C 2230a_100000701111_100000183359 [0,0,0,0,0,2|2,0,0]=4 8652 B11R0.111 CNC(=O)CNCCOC(C)C 34a_100000701111_100000183359 [0,0,0,0,0,2|2,0,0]=4 8653 B11R0.111 CNC(=O)CNCCSC(C)C 2230a_100000693194_100000730970 [0,0,0,0,0,2|2,0,0]=4 8654 B11R0.111 CNC(=O)CNCCSC(C)C 2230a_100000731138_100000183359 [0,0,0,0,0,2|2,0,0]=4 8655 B11R0.111 CNC(=O)CNCCSC(C)C 34a_100000731138_100000183359 [0,0,0,0,0,2|2,0,0]=4 8656 B11R0.111 CNC(=O)COCCC=C(C)C 34a_100000750040_100011217483 [0,0,0,0,0,2|1,0,1]=4 8657 B11R0.111 CNC(=O)COCCCC(C)C 34a_100000210774_100000183359 [0,0,0,0,0,2|1,0,0]=3 8658 B11R0.111 CNC(=O)COCCCC(C)C 34a_100000750040_100011214892 [0,0,0,0,0,2|1,0,0]=3 8659 B11R0.111 CNC(=O)COCCCC(C)C 7a_100000210774_100000183359 [0,0,0,0,0,2|1,0,0]=3 8660 B11R0.111 CNC(=O)COCCCC(C)O 34a_100000750040_200000718107 [0,0,0,0,0,2|2,0,0]=4 8661 B11R0.111 CNC(=O)COCCNC(C)C 34a_100000224655_100000183359 [0,0,0,0,0,2|1,0,0]=3 8662 B11R0.111 CNC(=O)COCCOC(C)C 34a_100000211219_100000183359 [0,0,0,0,0,2|1,0,0]=3 8663 B11R0.111 CNC(=O)COCCOC(C)C 34a_100000750040_100000211751 [0,0,0,0,0,2|1,0,0]=3 8664 B11R0.111 CNC(=O)COCCOC(C)C 7a_100000211219_100000183359 [0,0,0,0,0,2|1,0,0]=3 8665 B11R0.111 CNC(=O)COCCSC(C)C 34a_100000750040_100000730970 [0,0,0,0,0,2|1,0,0]=3 8666 B11R0.111 CNC(=O)COCCSC(C)C 34a_200011212901_100000183359 [0,0,0,0,0,2|1,0,0]=3 8667 B11R0.111 CNC(=O)COCCSC(C)C 7a_200011212901_100000183359 [0,0,0,0,0,2|1,0,0]=3 8668 B11R0.111 CNC(=O)CSCCCC(C)C 62a_100000183359_100011214892 [0,0,0,0,0,2|1,1,0]=4 8669 B11R0.111 CNC(=O)CSCCCC(C)C 62a_100011214892_100000183359 [0,0,0,0,0,2|1,1,0]=4 8670 B11R0.111 CNC(=O)CSCCOC(C)C 62a_100000183359_100000211751 [0,0,0,0,0,2|1,1,0]=4 8671 B11R0.111 CNC(=O)CSCCOC(C)C 62a_100000211751_100000183359 [0,0,0,0,0,2|1,1,0]=4 8672 B11R0.111 CNC(=O)CSCCSC(C)C 62a_100000183359_100000730970 [0,0,0,0,0,2|1,1,0]=4 8673 B11R0.111 CNC(=O)CSCCSC(C)C 62a_100000730970_100000183359 [0,0,0,0,0,2|1,1,0]=4 8674 B11R0.111 CNC(=O)NCCCOC(C)C 2708a_100000737246_106832991635 [0,0,0,0,0,2|2,0,0]=4 8675 B11R0.111 CNC(=O)NCCCOC(C)C 2708a_100102657272_100000737246 [0,0,0,0,0,2|2,0,0]=4 8676 B11R0.111 CNC(=O)NCCCOC(C)C 273464a_100000737246_100102657272 [0,0,0,0,0,2|2,0,0]=4 8677 B11R0.111 CNC(=O)NCCCOC(C)C 273464a_100102657272_100000737246 [0,0,0,0,0,2|2,0,0]=4 8678 B11R0.111 CNC(=O)NCCCOC(C)C 512a_100000737246_100102657272 [0,0,0,0,0,2|2,0,0]=4 8679 B11R0.111 CNC(=O)NCCCOC(C)C 512a_106832991638_100000737246 [0,0,0,0,0,2|2,0,0]=4 8680 B11R0.111 CNC(=O)NCCNCC(C)C 34a_100015205895_100000210624 [0,0,0,0,0,2|2,0,0]=4 8681 B11R0.111 CNC(=O)OCCNCC(C)C 34a_100000210953_200011997002 [0,0,0,0,0,2|1,0,0]=3 8682 B11R0.111 CNC(=O)OCCNCC(C)O 34a_100000210904_200011997002 [0,0,0,0,0,2|2,0,0]=4 8683 B11R0.111 CNC(=O)OCCOCC(C)Br 34a_100012180447_200011997002 [0,0,0,0,0,2|2,0,0]=4 8684 B11R0.111 CNC(=O)OCCOCC(C)C 34a_100000210257_200011997002 [0,0,0,0,0,2|1,0,0]=3 8685 B11R0.111 CNC(=O)OCCOCC(C)F 34a_100015925927_200011997002 [0,0,0,0,0,2|2,0,0]=4 8686 B11R0.111 CNC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_200011997002 [0,0,0,0,0,2|2,0,0]=4 8687 B11R0.111 CNC(=O)OCCOC[C@@H](C)N 34a_100000737577_200011997002 [0,0,0,0,0,2|2,0,0]=4 8688 B11R0.111 CNC(=O)OCCSCC(C)C 62a_100000210624_200011997002 [0,0,0,0,0,2|1,0,0]=3 8689 B11R0.111 CNC(=O)OCCSCC(C)C 62a_200011997002_100000210760 [0,0,0,0,0,2|1,0,0]=3 8690 B11R0.111 CNC(=O)OCCSCC(C)O 62a_100011218427_200011997002 [0,0,0,0,0,2|2,0,0]=4 8691 B11R0.111 CNC(=O)OCCSCC(C)O 62a_200011997002_100011218427 [0,0,0,0,0,2|2,0,0]=4 8692 B11R0.111 CNC(=O)OCCSC[C@@H](C)O 62a_100009817552_200011997002 [0,0,0,0,0,2|2,0,0]=4 8693 B11R0.111 CNC(=O)OCCSC[C@@H](C)O 62a_200011997002_100009817552 [0,0,0,0,0,2|2,0,0]=4 8694 B11R0.111 COC(=O)/C=C/CNCC(C)C 2230a_100000210953_100000742655 [0,0,0,0,0,2|2,0,0]=4 8695 B11R0.111 COC(=O)/C=C/CNCC(C)C 34a_100000210953_100000742655 [0,0,0,0,0,2|2,0,0]=4 8696 B11R0.111 COC(=O)/C=C/COCC(C)C 34a_100000210257_100000742655 [0,0,0,0,0,2|2,0,0]=4 8697 B11R0.111 COC(=O)/C=C/CSCC(C)C 62a_100000210624_100000742655 [0,0,0,0,0,2|2,0,0]=4 8698 B11R0.111 COC(=O)/C=C/CSCC(C)C 62a_100000742655_100000210760 [0,0,0,0,0,2|2,0,0]=4 8699 B11R0.111 COC(=O)CCCCNC(C)C 2230a_100138425928_100000204269 [0,0,0,0,0,2|2,0,0]=4 8700 B11R0.111 COC(=O)CCCCNC(C)C 34a_100138425928_100000204269 [0,0,0,0,0,2|2,0,0]=4 8701 B11R0.111 COC(=O)CCCCOC(C)C 34a_100000059025_100000210206 [0,0,0,0,0,2|2,0,0]=4 8702 B11R0.111 COC(=O)CCCCOC(C)C 34a_100000212225_100000204269 [0,0,0,0,0,2|2,0,0]=4 8703 B11R0.111 COC(=O)CCCCOC(C)C 7a_100000059025_100000210206 [0,0,0,0,0,2|2,0,0]=4 8704 B11R0.111 COC(=O)CCCCSC(C)C 62a_100000204269_100000210206 [0,0,0,0,0,2|2,0,0]=4 8705 B11R0.111 COC(=O)CCCCSC(C)C 62a_100000210206_100000204269 [0,0,0,0,0,2|2,0,0]=4 8706 B11R0.111 COC(=O)CCCNCC(C)C 2230a_100000210953_100011218270 [0,0,0,0,0,2|2,0,0]=4 8707 B11R0.111 COC(=O)CCCNCC(C)C 34a_100000210953_100000742333 [0,0,0,0,0,2|2,0,0]=4 8708 B11R0.111 COC(=O)CCCOCC(C)C 34a_100000210257_100000742333 [0,0,0,0,0,2|2,0,0]=4 8709 B11R0.111 COC(=O)CCCSCC(C)C 62a_100000210624_100011218270 [0,0,0,0,0,2|2,0,0]=4 8710 B11R0.111 COC(=O)CCCSCC(C)C 62a_100011218270_100000210760 [0,0,0,0,0,2|2,0,0]=4 8711 B11R0.111 COC(=O)CCOCCC(C)Br 34a_100009893172_100000742370 [0,0,0,0,0,2|2,0,0]=4 8712 B11R0.111 COC(=O)CCOCCC(C)C 34a_100000210254_100000742370 [0,0,0,0,0,2|1,0,0]=3 8713 B11R0.111 COC(=O)CCOCCC(C)C 7a_100000210254_100000204255 [0,0,0,0,0,2|1,0,0]=3 8714 B11R0.111 COC(=O)CCOCC[C@@H](C)N 34a_100000706166_100000742370 [0,0,0,0,0,2|2,0,0]=4 8715 B11R0.111 COC(=O)CCSCCC(C)C 62a_100000204255_100000210312 [0,0,0,0,0,2|1,1,0]=4 8716 B11R0.111 COC(=O)CCSCCC(C)C 62a_100000210312_100000204255 [0,0,0,0,0,2|1,1,0]=4 8717 B11R0.111 COC(=O)CCSCOC(C)C 62a_100000204255_100000709892 [0,0,0,0,0,2|2,0,0]=4 8718 B11R0.111 COC(=O)CCSCOC(C)C 62a_100000709892_100000204255 [0,0,0,0,0,2|2,0,0]=4 8719 B11R0.111 COC(=O)CNCCCC(C)C 2230a_200000737386_100000747449 [0,0,0,0,0,2|2,0,0]=4 8720 B11R0.111 COC(=O)CNCCCC(C)C 34a_200000737386_100000747449 [0,0,0,0,0,2|2,0,0]=4 8721 B11R0.111 COC(=O)CNCCOC(C)C 2230a_100000701111_100000747449 [0,0,0,0,0,2|2,0,0]=4 8722 B11R0.111 COC(=O)CNCCOC(C)C 34a_100000701111_100000747449 [0,0,0,0,0,2|2,0,0]=4 8723 B11R0.111 COC(=O)CNCCSC(C)C 2230a_100000731138_100000747449 [0,0,0,0,0,2|2,0,0]=4 8724 B11R0.111 COC(=O)CNCCSC(C)C 34a_100000731138_100000747449 [0,0,0,0,0,2|2,0,0]=4 8725 B11R0.111 COC(=O)COCCCC(C)C 34a_100000210774_100000747449 [0,0,0,0,0,2|1,0,0]=3 8726 B11R0.111 COC(=O)COCCCC(C)C 7a_100000210774_100000747449 [0,0,0,0,0,2|1,0,0]=3 8727 B11R0.111 COC(=O)COCCNC(C)C 2230a_100138425928_100000090808 [0,0,0,0,0,2|1,0,0]=3 8728 B11R0.111 COC(=O)COCCNC(C)C 34a_100000224655_100000747449 [0,0,0,0,0,2|1,0,0]=3 8729 B11R0.111 COC(=O)COCCNC(C)C 34a_100138425928_100000090808 [0,0,0,0,0,2|1,0,0]=3 8730 B11R0.111 COC(=O)COCCOC(C)C 34a_100000211219_100000747449 [0,0,0,0,0,2|1,0,0]=3 8731 B11R0.111 COC(=O)COCCOC(C)C 34a_100000212225_100000090808 [0,0,0,0,0,2|1,0,0]=3 8732 B11R0.111 COC(=O)COCCOC(C)C 7a_100000211219_100000747449 [0,0,0,0,0,2|1,0,0]=3 8733 B11R0.111 COC(=O)COCCSC(C)C 34a_200011212901_100000747449 [0,0,0,0,0,2|1,0,0]=3 8734 B11R0.111 COC(=O)COCCSC(C)C 62a_100000090808_100000210206 [0,0,0,0,0,2|1,0,0]=3 8735 B11R0.111 COC(=O)COCCSC(C)C 62a_100000210206_100000090808 [0,0,0,0,0,2|1,0,0]=3 8736 B11R0.111 COC(=O)COCCSC(C)C 7a_200011212901_100000747449 [0,0,0,0,0,2|1,0,0]=3 8737 B11R0.111 COC(=O)CSCCCC(C)C 62a_100000747449_100011214892 [0,0,0,0,0,2|1,1,0]=4 8738 B11R0.111 COC(=O)CSCCCC(C)C 62a_100011214892_100000747449 [0,0,0,0,0,2|1,1,0]=4 8739 B11R0.111 COC(=O)CSCCOC(C)C 62a_100000211751_100000747449 [0,0,0,0,0,2|1,1,0]=4 8740 B11R0.111 COC(=O)CSCCOC(C)C 62a_100000747449_100000211751 [0,0,0,0,0,2|1,1,0]=4 8741 B11R0.111 COC(=O)CSCCSC(C)C 62a_100000730970_100000747449 [0,0,0,0,0,2|1,1,0]=4 8742 B11R0.111 COC(=O)CSCCSC(C)C 62a_100000747449_100000730970 [0,0,0,0,0,2|1,1,0]=4 8743 B11R0.111 COC(=O)NCCOCC(C)C 34a_100000757965_100000210624 [0,0,0,0,0,2|2,0,0]=4 8744 B11R0.111 COC(=O)OCCOCC(C)C 34a_100010262106_100000210624 [0,0,0,0,0,2|1,0,0]=3 8745 B11R0.111 COC(=O)OCCOCC(C)O 34a_100010262106_100011218427 [0,0,0,0,0,2|2,0,0]=4 8746 B11R0.111 COC(=O)OCCOC[C@@H](C)O 34a_100010262106_100009817552 [0,0,0,0,0,2|2,0,0]=4 8747 B11R0.111 COC(=O)OCSCC=C(C)C 62a_100000761012_100000139417 [0,0,0,0,0,2|1,0,1]=4 8748 B11R0.111 COC(=O)OCSCCC(C)C 62a_100000210312_100000139417 [0,0,0,0,0,2|1,0,0]=3 8749 B11R0.111 COC(=O)OCSCCC(C)O 62a_100012276601_100000139417 [0,0,0,0,0,2|2,0,0]=4 8750 B11R0.111 COC(=O)OCSCOC(C)C 62a_100000709892_100000139417 [0,0,0,0,0,2|1,0,0]=3