0 B13R0.306 C=C(C#N)COCC(CC)CCCC 34a_100000210273_100000694840 [0,0,0,0,0,0|2,0,2]=4 1 B13R0.306 C=CC(C)COCC(CC)CCCC 34a_100011215527_100000211942 [0,0,0,0,0,0|2,0,1]=3 2 B13R0.306 C=CC(C)COCC(CC)CCCC 7a_100011215527_100000211942 [0,0,0,0,0,0|2,0,1]=3 3 B13R0.306 C=CC(O)CNCC(CC)CCCC 2230a_100000209976_100000730141 [0,0,0,0,0,0|2,0,1]=3 4 B13R0.306 C=CC(O)COC/C(=C/CCC)/CC 34a_200015372368_100000730141 [0,0,0,0,0,0|1,0,3]=4 5 B13R0.306 C=CC(O)COC/C(=C/CCC)/CC 7a_200015372368_100000730141 [0,0,0,0,0,0|1,0,3]=4 6 B13R0.306 C=CC(O)COCC(CC)CCCC 34a_100000210273_100000730141 [0,0,0,0,0,0|1,0,1]=2 7 B13R0.306 C=CC(O)COCC(CC)CCCC 7a_100000210273_100000730141 [0,0,0,0,0,0|1,0,1]=2 8 B13R0.306 C=CC(O)CSCC(CC)CCCC 62a_100000211942_100000730141 [0,0,0,0,0,0|1,1,1]=3 9 B13R0.306 C=CC(O)CSCC(CC)CCCC 62a_100000730141_100000211942 [0,0,0,0,0,0|1,1,1]=3 10 B13R0.306 C=C[C@H](N)COCC(CC)CCCC 34a_100016989147_100000211942 [0,0,0,0,0,0|2,0,1]=3 11 B13R0.306 CCC/C=C(\CC)/CNCC(C)CO 269862a_100000744482_100020616858 [0,0,0,0,0,0|2,0,2]=4 12 B13R0.306 CCC/C=C(\CC)/CNCC(O)CC 269862a_100011218483_100020616858 [0,0,0,0,0,0|2,0,2]=4 13 B13R0.306 CCC/C=C(\CC)/CNC[C@@H](F)CO 269862a_100015665980_100020616858 [0,0,0,0,0,0|2,0,2]=4 14 B13R0.306 CCC/C=C(\CC)/CNC[C@H](O)CO 269862a_100020644852_100020616858 [0,0,0,0,0,0|1,0,2]=3 15 B13R0.306 CCC/C=C(\CC)/COCC(C)CC 34a_200015372368_100000748023 [0,0,0,0,0,0|2,0,2]=4 16 B13R0.306 CCC/C=C(\CC)/COCC(C)CC 7a_200015372368_100000748023 [0,0,0,0,0,0|2,0,2]=4 17 B13R0.306 CCC/C=C(\CC)/COCC(O)CC 34a_200015372368_100011218378 [0,0,0,0,0,0|1,0,2]=3 18 B13R0.306 CCC/C=C(\CC)/COCC(O)CC 7a_200015372368_100011218378 [0,0,0,0,0,0|1,0,2]=3 19 B13R0.306 CCC/C=C(\CC)/COCC(O)CO 34a_200015372368_100011219619 [0,0,0,0,0,0|0,0,2]=2 20 B13R0.306 CCC/C=C(\CC)/COCC(O)CO 7a_200015372368_100011219619 [0,0,0,0,0,0|0,0,2]=2 21 B13R0.306 CCC/C=C(\CC)/COC[C@@H](C)CC 34a_200015372368_100009816398 [0,0,0,0,0,0|2,0,2]=4 22 B13R0.306 CCC/C=C(\CC)/COC[C@@H](C)CC 7a_200015372368_100009816398 [0,0,0,0,0,0|2,0,2]=4 23 B13R0.306 CCC/C=C(\CC)/COC[C@@H](C)CO 34a_200015372368_100000059175 [0,0,0,0,0,0|1,0,2]=3 24 B13R0.306 CCC/C=C(\CC)/COC[C@@H](C)CO 7a_200015372368_100000059175 [0,0,0,0,0,0|1,0,2]=3 25 B13R0.306 CCC/C=C(\CC)/COC[C@@H](O)CF 34a_200015372368_100015614560 [0,0,0,0,0,0|1,0,2]=3 26 B13R0.306 CCC/C=C(\CC)/COC[C@@H](O)CF 7a_200015372368_100015614560 [0,0,0,0,0,0|1,0,2]=3 27 B13R0.306 CCC/C=C(\CC)/COC[C@@H](O)CO 34a_200015372368_100009815848 [0,0,0,0,0,0|0,0,2]=2 28 B13R0.306 CCC/C=C(\CC)/COC[C@@H](O)CO 7a_200015372368_100009815848 [0,0,0,0,0,0|0,0,2]=2 29 B13R0.306 CCCCC(=NNCC(O)CC)CC 4a_100015206393_100000753412 [0,0,0,0,0,0|3,0,1]=4 30 B13R0.306 CCCCC(CC)CCCN(C)CC 2230a_100011691468_100000210202 [0,0,0,0,0,0|4,0,0]=4 31 B13R0.306 CCCCC(CC)CCCN(C)CC 269982a_100011691468_100000204670 [0,0,0,0,0,0|4,0,0]=4 32 B13R0.306 CCCCC(CC)CCCN(C)CF 269982a_100011691468_100015361967 [0,0,0,0,0,0|4,0,0]=4 33 B13R0.306 CCCCC(CC)CNCC(C)CC 2230a_100000209976_100000748023 [0,0,0,0,0,0|3,0,0]=3 34 B13R0.306 CCCCC(CC)CNCC(C)CC 2230a_100020588543_100000211942 [0,0,0,0,0,0|3,0,0]=3 35 B13R0.306 CCCCC(CC)CNCC(C)CC 269862a_100020588543_100011219736 [0,0,0,0,0,0|3,0,0]=3 36 B13R0.306 CCCCC(CC)CNCC(C)CC 270004a_100000209976_100000243153 [0,0,0,0,0,0|3,0,0]=3 37 B13R0.306 CCCCC(CC)CNCC(C)CC 270004a_100020588543_100011219736 [0,0,0,0,0,0|3,0,0]=3 38 B13R0.306 CCCCC(CC)CNCC(C)CO 269862a_100000744482_100011219736 [0,0,0,0,0,0|2,0,0]=2 39 B13R0.306 CCCCC(CC)CNCC(C)CO 34a_100000744482_100000211942 [0,0,0,0,0,0|2,0,0]=2 40 B13R0.306 CCCCC(CC)CNCC(O)CC 2230a_100000209976_100011218378 [0,0,0,0,0,0|2,0,0]=2 41 B13R0.306 CCCCC(CC)CNCC(O)CC 2230a_100011218483_100000211942 [0,0,0,0,0,0|2,0,0]=2 42 B13R0.306 CCCCC(CC)CNCC(O)CC 269862a_100011218483_100011219736 [0,0,0,0,0,0|2,0,0]=2 43 B13R0.306 CCCCC(CC)CNCC(O)CC 270004a_100011218483_100011219736 [0,0,0,0,0,0|2,0,0]=2 44 B13R0.306 CCCCC(CC)CNCC(O)CO 2230a_100000209976_100011219619 [0,0,0,0,0,0|1,0,0]=1 45 B13R0.306 CCCCC(CC)CNC[C@@H](C)CC 2230a_100000209976_100009816398 [0,0,0,0,0,0|3,0,0]=3 46 B13R0.306 CCCCC(CC)CNC[C@@H](C)CO 2230a_100000209976_100000059175 [0,0,0,0,0,0|2,0,0]=2 47 B13R0.306 CCCCC(CC)CNC[C@@H](C)OC 2230a_100020591295_100000211942 [0,0,0,0,0,0|4,0,0]=4 48 B13R0.306 CCCCC(CC)CNC[C@@H](C)OC 269862a_100020591295_100011219736 [0,0,0,0,0,0|4,0,0]=4 49 B13R0.306 CCCCC(CC)CNC[C@@H](C)OC 270004a_100020591295_100011219736 [0,0,0,0,0,0|4,0,0]=4 50 B13R0.306 CCCCC(CC)CNC[C@@H](F)CO 269862a_100015665980_100011219736 [0,0,0,0,0,0|2,0,0]=2 51 B13R0.306 CCCCC(CC)CNC[C@@H](F)CO 270004a_100015665980_100011219736 [0,0,0,0,0,0|2,0,0]=2 52 B13R0.306 CCCCC(CC)CNC[C@@H](F)CO 34a_100015665980_100000211942 [0,0,0,0,0,0|2,0,0]=2 53 B13R0.306 CCCCC(CC)CNC[C@@H](O)CF 2230a_100000209976_100015614560 [0,0,0,0,0,0|2,0,0]=2 54 B13R0.306 CCCCC(CC)CNC[C@@H](O)CO 2230a_100000209976_100009815848 [0,0,0,0,0,0|1,0,0]=1 55 B13R0.306 CCCCC(CC)CNC[C@H](O)CO 2230a_100020644852_100000211942 [0,0,0,0,0,0|1,0,0]=1 56 B13R0.306 CCCCC(CC)CNC[C@H](O)CO 269862a_100020644852_100011219736 [0,0,0,0,0,0|1,0,0]=1 57 B13R0.306 CCCCC(CC)COCC(=O)CC 34a_100000725409_100000211942 [0,0,0,0,0,0|1,0,2]=3 58 B13R0.306 CCCCC(CC)COCC(=O)CC 7a_100000210273_100000747405 [0,0,0,0,0,0|1,0,2]=3 59 B13R0.306 CCCCC(CC)COCC(=O)NC 34a_100000210273_100000183359 [0,0,0,0,0,0|2,0,2]=4 60 B13R0.306 CCCCC(CC)COCC(=O)NC 34a_100000750040_100000211942 [0,0,0,0,0,0|2,0,2]=4 61 B13R0.306 CCCCC(CC)COCC(=O)NC 7a_100000210273_100000183359 [0,0,0,0,0,0|2,0,2]=4 62 B13R0.306 CCCCC(CC)COCC(=O)OC 34a_100000210273_100000747449 [0,0,0,0,0,0|2,0,2]=4 63 B13R0.306 CCCCC(CC)COCC(=O)OC 7a_100000210273_100000747449 [0,0,0,0,0,0|2,0,2]=4 64 B13R0.306 CCCCC(CC)COCC(C)CC 34a_100000210273_100000748023 [0,0,0,0,0,0|2,0,0]=2 65 B13R0.306 CCCCC(CC)COCC(C)CC 7a_100000210273_100000748023 [0,0,0,0,0,0|2,0,0]=2 66 B13R0.306 CCCCC(CC)COCC(C)CN 34a_100000744482_100000211942 [0,0,0,0,0,0|2,0,0]=2 67 B13R0.306 CCCCC(CC)COCC(C)OC 34a_100000690652_100000211942 [0,0,0,0,0,0|3,0,0]=3 68 B13R0.306 CCCCC(CC)COCC(Cl)CCl 34a_100000033668_100000211942 [0,0,0,0,0,0|2,0,0]=2 69 B13R0.306 CCCCC(CC)COCC(O)CC 34a_100000210273_100011218378 [0,0,0,0,0,0|1,0,0]=1 70 B13R0.306 CCCCC(CC)COCC(O)CC 7a_100000210273_100011218378 [0,0,0,0,0,0|1,0,0]=1 71 B13R0.306 CCCCC(CC)COCC(O)CO 34a_100000210273_100011219619 [0,0,0,0,0,0|0,0,0]=0 72 B13R0.306 CCCCC(CC)COCC(O)CO 7a_100000210273_100011219619 [0,0,0,0,0,0|0,0,0]=0 73 B13R0.306 CCCCC(CC)COC[C@@H](C)CC 34a_100000210273_100009816398 [0,0,0,0,0,0|2,0,0]=2 74 B13R0.306 CCCCC(CC)COC[C@@H](C)CC 7a_100000210273_100009816398 [0,0,0,0,0,0|2,0,0]=2 75 B13R0.306 CCCCC(CC)COC[C@@H](C)CC 7a_100009816381_100000211942 [0,0,0,0,0,0|2,0,0]=2 76 B13R0.306 CCCCC(CC)COC[C@@H](C)CO 34a_100000210273_100000059175 [0,0,0,0,0,0|1,0,0]=1 77 B13R0.306 CCCCC(CC)COC[C@@H](C)CO 7a_100000210273_100000059175 [0,0,0,0,0,0|1,0,0]=1 78 B13R0.306 CCCCC(CC)COC[C@@H](O)CF 34a_100000210273_100015614560 [0,0,0,0,0,0|1,0,0]=1 79 B13R0.306 CCCCC(CC)COC[C@@H](O)CF 7a_100000210273_100015614560 [0,0,0,0,0,0|1,0,0]=1 80 B13R0.306 CCCCC(CC)COC[C@@H](O)CO 34a_100000210273_100009815848 [0,0,0,0,0,0|0,0,0]=0 81 B13R0.306 CCCCC(CC)COC[C@@H](O)CO 7a_100000210273_100009815848 [0,0,0,0,0,0|0,0,0]=0 82 B13R0.306 CCCCC(CC)COC[C@H](F)CN 34a_100015665980_100000211942 [0,0,0,0,0,0|2,0,0]=2 83 B13R0.306 CCCCC(CC)CSCC(=O)CC 62a_100000211942_100000747405 [0,0,0,0,0,0|1,1,2]=4 84 B13R0.306 CCCCC(CC)CSCC(=O)CC 62a_100000747405_100000211942 [0,0,0,0,0,0|1,1,2]=4 85 B13R0.306 CCCCC(CC)CSCC(C)CC 62a_100000211942_100000748023 [0,0,0,0,0,0|2,1,0]=3 86 B13R0.306 CCCCC(CC)CSCC(C)CC 62a_100000748023_100000211942 [0,0,0,0,0,0|2,1,0]=3 87 B13R0.306 CCCCC(CC)CSCC(O)CC 62a_100000211942_100011218378 [0,0,0,0,0,0|1,1,0]=2 88 B13R0.306 CCCCC(CC)CSCC(O)CC 62a_100011218378_100000211942 [0,0,0,0,0,0|1,1,0]=2 89 B13R0.306 CCCCC(CC)CSCC(O)CO 62a_100000211942_100011219619 [0,0,0,0,0,0|0,1,0]=1 90 B13R0.306 CCCCC(CC)CSCC(O)CO 62a_100011219619_100000211942 [0,0,0,0,0,0|0,1,0]=1 91 B13R0.306 CCCCC(CC)CSC[C@@H](C)CC 62a_100000211942_100009816398 [0,0,0,0,0,0|2,1,0]=3 92 B13R0.306 CCCCC(CC)CSC[C@@H](C)CC 62a_100009816398_100000211942 [0,0,0,0,0,0|2,1,0]=3 93 B13R0.306 CCCCC(CC)CSC[C@@H](C)CO 62a_100000059175_100000211942 [0,0,0,0,0,0|1,1,0]=2 94 B13R0.306 CCCCC(CC)CSC[C@@H](C)CO 62a_100000211942_100000059175 [0,0,0,0,0,0|1,1,0]=2 95 B13R0.306 CCCCC(CC)CSC[C@@H](O)CF 62a_100000211942_100015614560 [0,0,0,0,0,0|1,1,0]=2 96 B13R0.306 CCCCC(CC)CSC[C@@H](O)CF 62a_100015614560_100000211942 [0,0,0,0,0,0|1,1,0]=2 97 B13R0.306 CCCCC(CC)CSC[C@@H](O)CO 62a_100000211942_100009815848 [0,0,0,0,0,0|0,1,0]=1 98 B13R0.306 CCCCC(CC)CSC[C@@H](O)CO 62a_100009815848_100000211942 [0,0,0,0,0,0|0,1,0]=1 99 B13R0.306 CCCCC(CC)NCCC(C)CC 270004a_100020591266_100000753412 [0,0,0,0,0,0|4,0,0]=4 100 B13R0.306 CCCCC(CC)NCCC(C)CO 270004a_106354213184_100000753412 [0,0,0,0,0,0|3,0,0]=3 101 B13R0.306 CCCCC(CC)NCCC(C)CO 34a_106354213184_200011216223 [0,0,0,0,0,0|3,0,0]=3 102 B13R0.306 CCCCC(CC)OCCC(C)CC 7a_100011215188_200011216223 [0,0,0,0,0,0|4,0,0]=4 103 B13R0.306 CCCCN(CC)CCNC(C)CO 2230a_200011208488_100012180447 [0,0,0,0,0,0|4,0,0]=4 104 B12R0.102 C#CCOC(C)COCC(O)CO 34a_200000093152_100011219619 [1,0,0,0,0,0|1,0,2]=4 105 B12R0.102 C#CCOC(C)COCC(O)CO 7a_200000093152_100011219619 [1,0,0,0,0,0|1,0,2]=4 106 B12R0.102 C#CCOC(C)COC[C@@H](O)CO 34a_200000093152_100009815848 [1,0,0,0,0,0|1,0,2]=4 107 B12R0.102 C#CCOC(C)COC[C@@H](O)CO 7a_200000093152_100009815848 [1,0,0,0,0,0|1,0,2]=4 108 B12R0.102 C=CC(O)COCC(C)CCCC 34a_100011995851_100000730141 [1,0,0,0,0,0|1,0,1]=3 109 B12R0.102 C=CC(O)COCC(C)CCCC 7a_100011995851_100000730141 [1,0,0,0,0,0|1,0,1]=3 110 B12R0.102 C=CC(O)COC[C@@H](N)CCCC 34a_100011934283_100000730141 [1,0,0,0,0,0|2,0,1]=4 111 B12R0.102 CCC(O)CNC[C@H](C)CCCO 2230a_100160569302_100011218378 [1,0,0,0,0,0|3,0,0]=4 112 B12R0.102 CCC(O)CNC[C@H](C)CCCO 34a_100160569302_100011218378 [1,0,0,0,0,0|3,0,0]=4 113 B12R0.102 CCC(O)COC[C@@H](C)OCOC 34a_100016172286_100011218378 [1,0,0,0,0,0|3,0,0]=4 114 B12R0.102 CCC(O)COC[C@@H](C)OCOC 7a_100016172286_100011218378 [1,0,0,0,0,0|3,0,0]=4 115 B12R0.102 CCC(O)COC[C@@H](N)CCSC 34a_100011827619_100011218378 [1,0,0,0,0,0|3,0,0]=4 116 B12R0.102 CCCCC(C)COCC(=O)CC 7a_100011995851_100000747405 [1,0,0,0,0,0|1,0,2]=4 117 B12R0.102 CCCCC(C)COCC(C)CC 34a_100011995851_100000748023 [1,0,0,0,0,0|2,0,0]=3 118 B12R0.102 CCCCC(C)COCC(C)CC 7a_100011995851_100000748023 [1,0,0,0,0,0|2,0,0]=3 119 B12R0.102 CCCCC(C)COCC(O)CC 34a_100011995851_100011218378 [1,0,0,0,0,0|1,0,0]=2 120 B12R0.102 CCCCC(C)COCC(O)CC 7a_100011995851_100011218378 [1,0,0,0,0,0|1,0,0]=2 121 B12R0.102 CCCCC(C)COCC(O)CO 34a_100011995851_100011219619 [1,0,0,0,0,0|0,0,0]=1 122 B12R0.102 CCCCC(C)COCC(O)CO 7a_100011995851_100011219619 [1,0,0,0,0,0|0,0,0]=1 123 B12R0.102 CCCCC(C)COC[C@@H](C)CC 34a_100011995851_100009816398 [1,0,0,0,0,0|2,0,0]=3 124 B12R0.102 CCCCC(C)COC[C@@H](C)CC 7a_100011995851_100009816398 [1,0,0,0,0,0|2,0,0]=3 125 B12R0.102 CCCCC(C)COC[C@@H](C)CO 34a_100011995851_100000059175 [1,0,0,0,0,0|1,0,0]=2 126 B12R0.102 CCCCC(C)COC[C@@H](C)CO 7a_100011995851_100000059175 [1,0,0,0,0,0|1,0,0]=2 127 B12R0.102 CCCCC(C)COC[C@@H](O)CF 34a_100011995851_100015614560 [1,0,0,0,0,0|1,0,0]=2 128 B12R0.102 CCCCC(C)COC[C@@H](O)CF 7a_100011995851_100015614560 [1,0,0,0,0,0|1,0,0]=2 129 B12R0.102 CCCCC(C)COC[C@@H](O)CO 34a_100011995851_100009815848 [1,0,0,0,0,0|0,0,0]=1 130 B12R0.102 CCCCC(C)COC[C@@H](O)CO 7a_100011995851_100009815848 [1,0,0,0,0,0|0,0,0]=1 131 B12R0.102 CCCCC(C)NCCC(C)CO 2230a_106354213184_200011215066 [1,0,0,0,0,0|3,0,0]=4 132 B12R0.102 CCCCC(C)NCCC(C)CO 270004a_106354213184_100000210087 [1,0,0,0,0,0|3,0,0]=4 133 B12R0.102 CCCCC(C)NCCC(C)CO 34a_106354213184_200011215066 [1,0,0,0,0,0|3,0,0]=4 134 B12R0.102 CCCC[C@H](N)COCC(C)CC 34a_100011934283_100000748023 [1,0,0,0,0,0|3,0,0]=4 135 B12R0.102 CCCC[C@H](N)COCC(O)CC 34a_100011934283_100011218378 [1,0,0,0,0,0|2,0,0]=3 136 B12R0.102 CCCC[C@H](N)COCC(O)CO 34a_100011934283_100011219619 [1,0,0,0,0,0|1,0,0]=2 137 B12R0.102 CCCC[C@H](N)COC[C@@H](C)CC 34a_100011934283_100009816398 [1,0,0,0,0,0|3,0,0]=4 138 B12R0.102 CCCC[C@H](N)COC[C@@H](C)CO 34a_100011934283_100000059175 [1,0,0,0,0,0|2,0,0]=3 139 B12R0.102 CCCC[C@H](N)COC[C@@H](O)CF 34a_100011934283_100015614560 [1,0,0,0,0,0|2,0,0]=3 140 B12R0.102 CCCC[C@H](N)COC[C@@H](O)CO 34a_100011934283_100009815848 [1,0,0,0,0,0|1,0,0]=2 141 B12R0.102 CCCOC(C)CNCC(O)CC 2230a_100015185124_100011218378 [1,0,0,0,0,0|3,0,0]=4 142 B12R0.102 CCCOC(C)CNCC(O)CC 34a_100015185124_100011218378 [1,0,0,0,0,0|3,0,0]=4 143 B12R0.102 CCCOC(C)CNCC(O)CO 2230a_100015185124_100011219619 [1,0,0,0,0,0|2,0,0]=3 144 B12R0.102 CCCOC(C)CNCC(O)CO 34a_100015185124_100011219619 [1,0,0,0,0,0|2,0,0]=3 145 B12R0.102 CCCOC(C)CNC[C@@H](C)CO 2230a_100015185124_100000059175 [1,0,0,0,0,0|3,0,0]=4 146 B12R0.102 CCCOC(C)CNC[C@@H](C)CO 34a_100015185124_100000059175 [1,0,0,0,0,0|3,0,0]=4 147 B12R0.102 CCCOC(C)CNC[C@@H](O)CF 2230a_100015185124_100015614560 [1,0,0,0,0,0|3,0,0]=4 148 B12R0.102 CCCOC(C)CNC[C@@H](O)CF 34a_100015185124_100015614560 [1,0,0,0,0,0|3,0,0]=4 149 B12R0.102 CCCOC(C)CNC[C@@H](O)CO 2230a_100015185124_100009815848 [1,0,0,0,0,0|2,0,0]=3 150 B12R0.102 CCCOC(C)CNC[C@@H](O)CO 34a_100015185124_100009815848 [1,0,0,0,0,0|2,0,0]=3 151 B12R0.102 CCOCC(O)CNCC(O)CO 2230a_102515437182_100011219619 [1,0,0,0,0,0|3,0,0]=4 152 B12R0.102 CCOCC(O)CNCC(O)CO 34a_102515437182_100011219619 [1,0,0,0,0,0|3,0,0]=4 153 B12R0.102 CCOCC(O)CNC[C@@H](O)CO 2230a_102515437182_100009815848 [1,0,0,0,0,0|3,0,0]=4 154 B12R0.102 CCOCC(O)CNC[C@@H](O)CO 34a_102515437182_100009815848 [1,0,0,0,0,0|3,0,0]=4 155 B12R0.102 COCO[C@H](C)COCC(O)CO 34a_100016172286_100011219619 [1,0,0,0,0,0|2,0,0]=3 156 B12R0.102 COCO[C@H](C)COCC(O)CO 7a_100016172286_100011219619 [1,0,0,0,0,0|2,0,0]=3 157 B12R0.102 COCO[C@H](C)COC[C@@H](C)CO 34a_100016172286_100000059175 [1,0,0,0,0,0|3,0,0]=4 158 B12R0.102 COCO[C@H](C)COC[C@@H](C)CO 7a_100016172286_100000059175 [1,0,0,0,0,0|3,0,0]=4 159 B12R0.102 COCO[C@H](C)COC[C@@H](O)CF 34a_100016172286_100015614560 [1,0,0,0,0,0|3,0,0]=4 160 B12R0.102 COCO[C@H](C)COC[C@@H](O)CF 7a_100016172286_100015614560 [1,0,0,0,0,0|3,0,0]=4 161 B12R0.102 COCO[C@H](C)COC[C@@H](O)CO 34a_100016172286_100009815848 [1,0,0,0,0,0|2,0,0]=3 162 B12R0.102 COCO[C@H](C)COC[C@@H](O)CO 7a_100016172286_100009815848 [1,0,0,0,0,0|2,0,0]=3 163 B12R0.102 CSCC[C@H](N)COCC(O)CO 34a_100011827619_100011219619 [1,0,0,0,0,0|2,0,0]=3 164 B12R0.102 CSCC[C@H](N)COC[C@@H](C)CO 34a_100011827619_100000059175 [1,0,0,0,0,0|3,0,0]=4 165 B12R0.102 CSCC[C@H](N)COC[C@@H](O)CF 34a_100011827619_100015614560 [1,0,0,0,0,0|3,0,0]=4 166 B12R0.102 CSCC[C@H](N)COC[C@@H](O)CO 34a_100011827619_100009815848 [1,0,0,0,0,0|2,0,0]=3 167 B12R0.102 C[C@H](CCCO)CNCC(O)CO 2230a_100160569302_100011219619 [1,0,0,0,0,0|2,0,0]=3 168 B12R0.102 C[C@H](CCCO)CNCC(O)CO 34a_100160569302_100011219619 [1,0,0,0,0,0|2,0,0]=3 169 B12R0.102 C[C@H](CCCO)CNC[C@@H](C)CO 2230a_100160569302_100000059175 [1,0,0,0,0,0|3,0,0]=4 170 B12R0.102 C[C@H](CCCO)CNC[C@@H](C)CO 34a_100160569302_100000059175 [1,0,0,0,0,0|3,0,0]=4 171 B12R0.102 C[C@H](CCCO)CNC[C@@H](O)CF 2230a_100160569302_100015614560 [1,0,0,0,0,0|3,0,0]=4 172 B12R0.102 C[C@H](CCCO)CNC[C@@H](O)CF 34a_100160569302_100015614560 [1,0,0,0,0,0|3,0,0]=4 173 B12R0.102 C[C@H](CCCO)CNC[C@@H](O)CO 2230a_100160569302_100009815848 [1,0,0,0,0,0|2,0,0]=3 174 B12R0.102 C[C@H](CCCO)CNC[C@@H](O)CO 34a_100160569302_100009815848 [1,0,0,0,0,0|2,0,0]=3 175 B12R0.111 C#CCCNCC(CC)CCCC 2230a_100000209976_100000688953 [1,0,0,0,0,0|2,0,1]=4 176 B12R0.111 C#CCCNCC(CC)CCCC 34a_100000755551_100000211942 [1,0,0,0,0,0|2,0,1]=4 177 B12R0.111 C#CCCOCC(CC)CCCC 34a_100000210273_100000688953 [1,0,0,0,0,0|1,0,1]=3 178 B12R0.111 C#CCCOCC(CC)CCCC 34a_100011215631_100000211942 [1,0,0,0,0,0|1,0,1]=3 179 B12R0.111 C#CCCOCC(CC)CCCC 7a_100000210273_100000688953 [1,0,0,0,0,0|1,0,1]=3 180 B12R0.111 C#CCCSCC(CC)CCCC 62a_100000211942_100000688953 [1,0,0,0,0,0|1,1,1]=4 181 B12R0.111 C#CCCSCC(CC)CCCC 62a_100000688953_100000211942 [1,0,0,0,0,0|1,1,1]=4 182 B12R0.111 C/C=C/COCC(CC)CCCC 34a_100000210273_100102629194 [1,0,0,0,0,0|1,0,2]=4 183 B12R0.111 C/C=C/COCC(CC)CCCC 34a_100016270725_100000211942 [1,0,0,0,0,0|1,0,2]=4 184 B12R0.111 C/C=C/COCC(CC)CCCC 7a_100000210273_100102629194 [1,0,0,0,0,0|1,0,2]=4 185 B12R0.111 C=CCCNCC(CC)CCCC 2230a_100000209976_100000754431 [1,0,0,0,0,0|2,0,1]=4 186 B12R0.111 C=CCCNCC(CC)CCCC 2230a_100015191253_100000211942 [1,0,0,0,0,0|2,0,1]=4 187 B12R0.111 C=CCCNCC(CC)CCCC 269862a_100015191253_100011219736 [1,0,0,0,0,0|2,0,1]=4 188 B12R0.111 C=CCCNCC(CC)CCCC 270004a_100015191253_100011219736 [1,0,0,0,0,0|2,0,1]=4 189 B12R0.111 C=CCCOCC(CC)CCCC 34a_100000210273_100000754431 [1,0,0,0,0,0|1,0,1]=3 190 B12R0.111 C=CCCOCC(CC)CCCC 34a_100011205117_100000211942 [1,0,0,0,0,0|1,0,1]=3 191 B12R0.111 C=CCCOCC(CC)CCCC 7a_100000210273_100000754431 [1,0,0,0,0,0|1,0,1]=3 192 B12R0.111 C=CCCSCC(CC)CCCC 62a_100000211942_100000754431 [1,0,0,0,0,0|1,1,1]=4 193 B12R0.111 C=CCCSCC(CC)CCCC 62a_100000754431_100000211942 [1,0,0,0,0,0|1,1,1]=4 194 B12R0.111 CC#CCOCC(CC)CCCC 34a_100000210273_100000748600 [1,0,0,0,0,0|1,0,2]=4 195 B12R0.111 CC#CCOCC(CC)CCCC 34a_100000761923_100000211942 [1,0,0,0,0,0|1,0,2]=4 196 B12R0.111 CC#CCOCC(CC)CCCC 7a_100000210273_100000748600 [1,0,0,0,0,0|1,0,2]=4 197 B12R0.111 CC=CCOCC(CC)CCCC 34a_100000210273_100000070051 [1,0,0,0,0,0|1,0,2]=4 198 B12R0.111 CC=CCOCC(CC)CCCC 7a_100000210273_100000070051 [1,0,0,0,0,0|1,0,2]=4 199 B12R0.111 CCC/C=C(\CC)/CNCCCO 269862a_100000182051_100020616858 [1,0,0,0,0,0|1,0,2]=4 200 B12R0.111 CCC/C=C(\CC)/COCCCC 34a_200015372368_100000210210 [1,0,0,0,0,0|1,0,2]=4 201 B12R0.111 CCC/C=C(\CC)/COCCCC 7a_200015372368_100000210211 [1,0,0,0,0,0|1,0,2]=4 202 B12R0.111 CCC/C=C(\CC)/COCCCF 34a_200015372368_100011934791 [1,0,0,0,0,0|1,0,2]=4 203 B12R0.111 CCC/C=C(\CC)/COCCCF 7a_200015372368_100011934791 [1,0,0,0,0,0|1,0,2]=4 204 B12R0.111 CCC/C=C(\CC)/COCCCO 34a_200015372368_100000230001 [1,0,0,0,0,0|0,0,2]=3 205 B12R0.111 CCC/C=C(\CC)/COCCCO 7a_200015372368_100011215043 [1,0,0,0,0,0|0,0,2]=3 206 B12R0.111 CCCCC(C=NNCCO)CC 4a_100000210001_100011219736 [1,0,0,0,0,0|2,0,1]=4 207 B12R0.111 CCCCC(CC)CCCCNC 2230a_106832991635_200012094884 [1,0,0,0,0,0|3,0,0]=4 208 B12R0.111 CCCCC(CC)CCCCNC 34a_100102657272_200012094884 [1,0,0,0,0,0|3,0,0]=4 209 B12R0.111 CCCCC(CC)CCCCNC 7a_106832991635_200012094884 [1,0,0,0,0,0|3,0,0]=4 210 B12R0.111 CCCCC(CC)CCCCOC 34a_100138415774_200012094884 [1,0,0,0,0,0|3,0,0]=4 211 B12R0.111 CCCCC(CC)CCCCSC 62a_200000210301_200012094884 [1,0,0,0,0,0|3,0,0]=4 212 B12R0.111 CCCCC(CC)CCCCSC 62a_200012094884_200000210301 [1,0,0,0,0,0|3,0,0]=4 213 B12R0.111 CCCCC(CC)CCCCS[13CH3] 62a_200012094884_200025704644 [1,0,0,0,0,0|3,0,0]=4 214 B12R0.111 CCCCC(CC)CCCCS[13CH3] 62a_200025704644_200012094884 [1,0,0,0,0,0|3,0,0]=4 215 B12R0.111 CCCCC(CC)CNCCC#N 2230a_100000209976_100011215226 [1,0,0,0,0,0|2,0,1]=4 216 B12R0.111 CCCCC(CC)CNCCC#N 270004a_100000720768_100011219736 [1,0,0,0,0,0|2,0,1]=4 217 B12R0.111 CCCCC(CC)CNCCCF 2230a_100000209976_100011934791 [1,0,0,0,0,0|2,0,0]=3 218 B12R0.111 CCCCC(CC)CNCCCF 2230a_100015189416_100000211942 [1,0,0,0,0,0|2,0,0]=3 219 B12R0.111 CCCCC(CC)CNCCCF 269862a_100015189416_100011219736 [1,0,0,0,0,0|2,0,0]=3 220 B12R0.111 CCCCC(CC)CNCCCF 270004a_100015189416_100011219736 [1,0,0,0,0,0|2,0,0]=3 221 B12R0.111 CCCCC(CC)CNCCCF 34a_100015189416_100000211942 [1,0,0,0,0,0|2,0,0]=3 222 B12R0.111 CCCCC(CC)CNCCCO 2230a_100000209976_100000230001 [1,0,0,0,0,0|1,0,0]=2 223 B12R0.111 CCCCC(CC)CNCCCO 269862a_100000182051_100011219736 [1,0,0,0,0,0|1,0,0]=2 224 B12R0.111 CCCCC(CC)CNCCCO 270004a_100000182051_100011219736 [1,0,0,0,0,0|1,0,0]=2 225 B12R0.111 CCCCC(CC)CNCCOC 2230a_100000209976_100011201679 [1,0,0,0,0,0|3,0,0]=4 226 B12R0.111 CCCCC(CC)CNCCOC 2230a_100000209980_100000211942 [1,0,0,0,0,0|3,0,0]=4 227 B12R0.111 CCCCC(CC)CNCCOC 269862a_100000209980_100011219736 [1,0,0,0,0,0|3,0,0]=4 228 B12R0.111 CCCCC(CC)CNCCOC 270004a_100000209980_100011219736 [1,0,0,0,0,0|3,0,0]=4 229 B12R0.111 CCCCC(CC)CNCCSC 2230a_100000209976_100000751147 [1,0,0,0,0,0|3,0,0]=4 230 B12R0.111 CCCCC(CC)CNCCSC 2230a_100020590264_100000211942 [1,0,0,0,0,0|3,0,0]=4 231 B12R0.111 CCCCC(CC)CNCCSC 269862a_100020590264_100011219736 [1,0,0,0,0,0|3,0,0]=4 232 B12R0.111 CCCCC(CC)CNCCSC 270004a_100020590264_100011219736 [1,0,0,0,0,0|3,0,0]=4 233 B12R0.111 CCCCC(CC)COCCC#N 7a_100000210273_100000184422 [1,0,0,0,0,0|1,0,1]=3 234 B12R0.111 CCCCC(CC)COCCCBr 34a_100011217188_100000211942 [1,0,0,0,0,0|1,0,0]=2 235 B12R0.111 CCCCC(CC)COCCCCl 34a_100000230001_100000211942 [1,0,0,0,0,0|1,0,0]=2 236 B12R0.111 CCCCC(CC)COCCCF 34a_100000210273_100011934791 [1,0,0,0,0,0|1,0,0]=2 237 B12R0.111 CCCCC(CC)COCCCF 34a_100000759539_100000211942 [1,0,0,0,0,0|1,0,0]=2 238 B12R0.111 CCCCC(CC)COCCCF 7a_100000210273_100011934791 [1,0,0,0,0,0|1,0,0]=2 239 B12R0.111 CCCCC(CC)COCCCN 34a_100000182051_100000211942 [1,0,0,0,0,0|1,0,0]=2 240 B12R0.111 CCCCC(CC)COCCCO 34a_100000210273_100000230001 [1,0,0,0,0,0|0,0,0]=1 241 B12R0.111 CCCCC(CC)COCCCO 7a_100000210273_100011215043 [1,0,0,0,0,0|0,0,0]=1 242 B12R0.111 CCCCC(CC)COCCOC 34a_100000210237_100000211942 [1,0,0,0,0,0|2,0,0]=3 243 B12R0.111 CCCCC(CC)COCCOC 34a_100000210273_100011201679 [1,0,0,0,0,0|2,0,0]=3 244 B12R0.111 CCCCC(CC)COCCOC 7a_100000210273_100000233755 [1,0,0,0,0,0|2,0,0]=3 245 B12R0.111 CCCCC(CC)COCCON 34a_100000700252_100000211942 [1,0,0,0,0,0|2,0,0]=3 246 B12R0.111 CCCCC(CC)COCCSC 34a_100000210273_100000212216 [1,0,0,0,0,0|2,0,0]=3 247 B12R0.111 CCCCC(CC)COCCSC 34a_100000230434_100000211942 [1,0,0,0,0,0|2,0,0]=3 248 B12R0.111 CCCCC(CC)COCCSC 7a_100000210273_100000212216 [1,0,0,0,0,0|2,0,0]=3 249 B12R0.111 CCCCC(CC)COCCSC 7a_100000230434_100000211942 [1,0,0,0,0,0|2,0,0]=3 250 B12R0.111 CCCCC(CC)CSCCC#N 62a_100000211942_100011215226 [1,0,0,0,0,0|1,1,1]=4 251 B12R0.111 CCCCC(CC)CSCCC#N 62a_100011215226_100000211942 [1,0,0,0,0,0|1,1,1]=4 252 B12R0.111 CCCCC(CC)CSCCCF 62a_100000211942_100011934791 [1,0,0,0,0,0|1,1,0]=3 253 B12R0.111 CCCCC(CC)CSCCCF 62a_100011934791_100000211942 [1,0,0,0,0,0|1,1,0]=3 254 B12R0.111 CCCCC(CC)CSCCCO 62a_100000211942_100011215043 [1,0,0,0,0,0|0,1,0]=2 255 B12R0.111 CCCCC(CC)CSCCCO 62a_100011215043_100000211942 [1,0,0,0,0,0|0,1,0]=2 256 B12R0.111 CCCCC(CC)CSCCOC 62a_100000211942_100000233755 [1,0,0,0,0,0|2,1,0]=4 257 B12R0.111 CCCCC(CC)CSCCOC 62a_100000233755_100000211942 [1,0,0,0,0,0|2,1,0]=4 258 B12R0.111 CCCCC(CC)CSCCSC 62a_100000211942_100000751147 [1,0,0,0,0,0|2,1,0]=4 259 B12R0.111 CCCCC(CC)CSCCSC 62a_100000212216_100000211942 [1,0,0,0,0,0|2,1,0]=4 260 B12R0.111 CCCCC(CC)CSCOCC 62a_100000211942_100000739092 [1,0,0,0,0,0|2,1,0]=4 261 B12R0.111 CCCCC(CC)CSCOCC 62a_100000739092_100000211942 [1,0,0,0,0,0|2,1,0]=4 262 B12R0.111 CCCCC(CC)NCCCCO 270004a_100000750430_100000753412 [1,0,0,0,0,0|2,0,0]=3 263 B12R0.111 CCCCC(CC)NCCCCO 34a_100000750430_200011216223 [1,0,0,0,0,0|2,0,0]=3 264 B12R0.111 CCCCC(CC)OCCCCBr 34a_100011216708_200011216223 [1,0,0,0,0,0|3,0,0]=4 265 B12R0.111 CCCCC(CC)OCCCCCl 34a_100000210776_200011216223 [1,0,0,0,0,0|3,0,0]=4 266 B12R0.111 CCCCC(CC)OCCCCCl 7a_100000210776_200011216223 [1,0,0,0,0,0|3,0,0]=4 267 B12R0.111 CCCCC(CC)OCCCCF 34a_100011215227_100000729493 [1,0,0,0,0,0|3,0,0]=4 268 B12R0.111 CCCCC(CC)OCCCCF 34a_100011995726_200011216223 [1,0,0,0,0,0|3,0,0]=4 269 B12R0.111 CCCCC(CC)OCCCCF 7a_100011215227_100000729493 [1,0,0,0,0,0|3,0,0]=4 270 B12R0.111 CCCCC(CC)OCCCCF 7a_100011995726_200011216223 [1,0,0,0,0,0|3,0,0]=4 271 B12R0.111 CCCCC(CC)OCCCCI 34a_200012148704_200011216223 [1,0,0,0,0,0|3,0,0]=4 272 B12R0.111 CCCCC(CC)OCCCCN 34a_100000750430_200011216223 [1,0,0,0,0,0|3,0,0]=4 273 B12R0.111 CCCCC(CC)OCCCCO 34a_100011215227_100011216708 [1,0,0,0,0,0|2,0,0]=3 274 B12R0.111 CCCCC(CC)OCCCCO 7a_100011215227_100000210776 [1,0,0,0,0,0|2,0,0]=3 275 B12R0.111 CCCCC(CC)SCCCCF 62a_100000729493_200011216223 [1,0,0,0,0,0|3,0,0]=4 276 B12R0.111 CCCCC(CC)SCCCCF 62a_200011216223_100000729493 [1,0,0,0,0,0|3,0,0]=4 277 B12R0.111 CCCCC(CC)SCCCCO 62a_100000210776_200011216223 [1,0,0,0,0,0|2,0,0]=3 278 B12R0.111 CCCCC(CC)SCCCCO 62a_200011216223_100000210776 [1,0,0,0,0,0|2,0,0]=3 279 B12R0.111 CCCCCCC(CC)NCCC 270004a_100020643023_100011219640 [1,0,0,0,0,0|3,0,0]=4 280 B12R0.111 CCCCCCC(CC)OCCC 34a_100011215785_100000210303 [1,0,0,0,0,0|3,0,0]=4 281 B12R0.111 CCCCCCC(CC)OCCC 7a_100011215785_100000210303 [1,0,0,0,0,0|3,0,0]=4 282 B12R0.111 CCCCCCC(CCCC)NC 270004a_106832991635_200011215745 [1,0,0,0,0,0|3,0,0]=4 283 B12R0.111 CCCCCCC(CCCC)OC 34a_200011216055_200000210301 [1,0,0,0,0,0|3,0,0]=4 284 B12R0.111 CCCCCCC(CCCC)OC 7a_200011216055_200000210301 [1,0,0,0,0,0|3,0,0]=4 285 B12R0.111 CCCCCCC(CCCC)O[13CH3] 34a_200011216055_200025704644 [1,0,0,0,0,0|3,0,0]=4 286 B12R0.111 CCCCCCC(CCCC)O[13CH3] 7a_200011216055_200025704644 [1,0,0,0,0,0|3,0,0]=4 287 B12R0.111 CCCCCCN(CC)CCCC 2230a_100000207695_100000210314 [1,0,0,0,0,0|3,0,0]=4 288 B12R0.111 CCCCCCN(CC)CCCC 2230a_200000207677_100000210202 [1,0,0,0,0,0|3,0,0]=4 289 B12R0.111 CCCCCCN(CC)CCCC 269982a_100000207695_100000210757 [1,0,0,0,0,0|3,0,0]=4 290 B12R0.111 CCCCCCN(CC)CCCC 269982a_200000207677_100000204670 [1,0,0,0,0,0|3,0,0]=4 291 B12R0.111 CCCCCNC(CC)CCCC 270004a_100000209983_100000753412 [1,0,0,0,0,0|3,0,0]=4 292 B12R0.111 CCCCCOC(CC)CCCC 34a_100000210253_200011216223 [1,0,0,0,0,0|3,0,0]=4 293 B12R0.111 CCCCCOC(CC)CCCC 34a_100011215227_100000718602 [1,0,0,0,0,0|3,0,0]=4 294 B12R0.111 CCCCCOC(CC)CCCC 7a_100000210253_200011216223 [1,0,0,0,0,0|3,0,0]=4 295 B12R0.111 CCCCCOC(CC)CCCC 7a_100011215227_100000210326 [1,0,0,0,0,0|3,0,0]=4 296 B12R0.111 CCCCCSC(CC)CCCC 62a_100000210326_200011216223 [1,0,0,0,0,0|3,0,0]=4 297 B12R0.111 CCCCCSC(CC)CCCC 62a_200011216223_100000210326 [1,0,0,0,0,0|3,0,0]=4 298 B12R0.111 CCCCN(CC)CCCCCF 2230a_100000207695_100000729378 [1,0,0,0,0,0|3,0,0]=4 299 B12R0.111 CCCCN(CC)CCCCCF 269982a_100000207695_100000729378 [1,0,0,0,0,0|3,0,0]=4 300 B12R0.111 CCCCN(CC)CCCCCO 2230a_100000207695_100000746330 [1,0,0,0,0,0|2,0,0]=3 301 B12R0.111 CCCCN(CC)CCCCCO 269982a_100000207695_100000746330 [1,0,0,0,0,0|2,0,0]=3 302 B12R0.111 CCCCN(CC)CCNCCO 2230a_200011208488_100000211926 [1,0,0,0,0,0|3,0,0]=4 303 B12R0.111 CCCCN(CC)CCOCCO 2230a_100000207695_100011215305 [1,0,0,0,0,0|3,0,0]=4 304 B12R0.111 CCCCN(CC)CCOCCO 269982a_100000207695_100011215305 [1,0,0,0,0,0|3,0,0]=4 305 B12R0.111 CCCCN(CC)COCCOC 2230a_100000207695_100000231047 [1,0,0,0,0,0|3,0,0]=4 306 B12R0.111 CCCCN(CC)COCCOC 269982a_100000207695_100000231047 [1,0,0,0,0,0|3,0,0]=4 307 B12R0.111 CCCCNCC(CC)CCCC 2230a_100000102301_100000211942 [1,0,0,0,0,0|2,0,0]=3 308 B12R0.111 CCCCNCC(CC)CCCC 2230a_100000209976_100000210211 [1,0,0,0,0,0|2,0,0]=3 309 B12R0.111 CCCCNCC(CC)CCCC 269862a_100000102301_100011219736 [1,0,0,0,0,0|2,0,0]=3 310 B12R0.111 CCCCNCC(CC)CCCC 270004a_100000102301_100011219736 [1,0,0,0,0,0|2,0,0]=3 311 B12R0.111 CCCCNCC(CC)CCCC 7a_106832991798_100000211942 [1,0,0,0,0,0|2,0,0]=3 312 B12R0.111 CCCCOCC(CC)CCCC 34a_100000210227_100000211942 [1,0,0,0,0,0|1,0,0]=2 313 B12R0.111 CCCCOCC(CC)CCCC 34a_100000210273_100000210210 [1,0,0,0,0,0|1,0,0]=2 314 B12R0.111 CCCCOCC(CC)CCCC 7a_100000210227_100000211942 [1,0,0,0,0,0|1,0,0]=2 315 B12R0.111 CCCCOCC(CC)CCCC 7a_100000210273_100000210211 [1,0,0,0,0,0|1,0,0]=2 316 B12R0.111 CCCCOCN(CC)CCCC 2230a_100000207695_100011995733 [1,0,0,0,0,0|2,0,0]=3 317 B12R0.111 CCCCOCN(CC)CCCC 269982a_100000207695_100011995733 [1,0,0,0,0,0|2,0,0]=3 318 B12R0.111 CCCCOCN(CC)CCOC 2230a_100000731262_100011995733 [1,0,0,0,0,0|3,0,0]=4 319 B12R0.111 CCCCOCN(CC)CCOC 269982a_100000731262_100011995733 [1,0,0,0,0,0|3,0,0]=4 320 B12R0.111 CCCCSCC(CC)CCCC 62a_100000210211_100000211942 [1,0,0,0,0,0|1,1,0]=3 321 B12R0.111 CCCCSCC(CC)CCCC 62a_100000211942_100000210210 [1,0,0,0,0,0|1,1,0]=3 322 B12R0.111 CCCC[C@@H](CO)NCCCCO 2230a_100011934283_100000210776 [1,0,0,0,0,0|3,0,0]=4 323 B12R0.111 CCCC[C@@H](CO)NCCCCO 34a_100011934283_100011216708 [1,0,0,0,0,0|3,0,0]=4 324 B12R0.111 CCN(CCCCCO)CCOC 2230a_100000731262_100000746330 [1,0,0,0,0,0|3,0,0]=4 325 B12R0.111 CCN(CCCCCO)CCOC 269982a_100000731262_100000746330 [1,0,0,0,0,0|3,0,0]=4 326 B12R0.229 CCCC(CC)NCCC(C)CO 270004a_106354213184_100000687865 [1,0,0,0,0,0|3,0,0]=4 327 B12R0.229 CCOC(CC)CNCC(O)CC 2230a_100015183923_100011218378 [1,0,0,0,0,0|3,0,0]=4 328 B12R0.229 CCOC(CC)CNCC(O)CC 34a_100015183923_100011218378 [1,0,0,0,0,0|3,0,0]=4 329 B12R0.229 CCOC(CC)CNCC(O)CO 2230a_100015183923_100011219619 [1,0,0,0,0,0|2,0,0]=3 330 B12R0.229 CCOC(CC)CNCC(O)CO 34a_100015183923_100011219619 [1,0,0,0,0,0|2,0,0]=3 331 B12R0.229 CCOC(CC)CNC[C@@H](C)CO 2230a_100015183923_100000059175 [1,0,0,0,0,0|3,0,0]=4 332 B12R0.229 CCOC(CC)CNC[C@@H](C)CO 34a_100015183923_100000059175 [1,0,0,0,0,0|3,0,0]=4 333 B12R0.229 CCOC(CC)CNC[C@@H](O)CF 2230a_100015183923_100015614560 [1,0,0,0,0,0|3,0,0]=4 334 B12R0.229 CCOC(CC)CNC[C@@H](O)CF 34a_100015183923_100015614560 [1,0,0,0,0,0|3,0,0]=4 335 B12R0.229 CCOC(CC)CNC[C@@H](O)CO 2230a_100015183923_100009815848 [1,0,0,0,0,0|2,0,0]=3 336 B12R0.229 CCOC(CC)CNC[C@@H](O)CO 34a_100015183923_100009815848 [1,0,0,0,0,0|2,0,0]=3 337 B12R0.254 C=C(C)CNCC(CC)CCCC 2230a_100000209976_100000748629 [1,0,0,0,0,0|2,0,1]=4 338 B12R0.254 C=C(C)COCC(CC)CCCC 34a_100000210245_100000211942 [1,0,0,0,0,0|1,0,1]=3 339 B12R0.254 C=C(C)COCC(CC)CCCC 34a_100000210273_100000748629 [1,0,0,0,0,0|1,0,1]=3 340 B12R0.254 C=C(C)COCC(CC)CCCC 7a_100000210273_100000748629 [1,0,0,0,0,0|1,0,1]=3 341 B12R0.254 C=C(C)CSCC(CC)CCCC 62a_100000211942_100000211660 [1,0,0,0,0,0|1,1,1]=4 342 B12R0.254 C=C(C)CSCC(CC)CCCC 62a_100000748629_100000211942 [1,0,0,0,0,0|1,1,1]=4 343 B12R0.254 C=C(F)COCC(CC)CCCC 34a_100000210273_100009893438 [1,0,0,0,0,0|1,0,2]=4 344 B12R0.254 C=C(F)COCC(CC)CCCC 34a_200010262243_100000211942 [1,0,0,0,0,0|1,0,2]=4 345 B12R0.254 C=C(F)COCC(CC)CCCC 7a_100000210273_100000042424 [1,0,0,0,0,0|1,0,2]=4 346 B12R0.254 CCC/C=C(\CC)/CNCC(C)O 269862a_100000210904_100020616858 [1,0,0,0,0,0|1,0,2]=4 347 B12R0.254 CCC/C=C(\CC)/COCC(C)C 34a_200015372368_100000210624 [1,0,0,0,0,0|1,0,2]=4 348 B12R0.254 CCC/C=C(\CC)/COCC(C)C 7a_200015372368_100000210760 [1,0,0,0,0,0|1,0,2]=4 349 B12R0.254 CCC/C=C(\CC)/COCC(C)O 34a_200015372368_100011218427 [1,0,0,0,0,0|0,0,2]=3 350 B12R0.254 CCC/C=C(\CC)/COCC(C)O 7a_200015372368_100011218427 [1,0,0,0,0,0|0,0,2]=3 351 B12R0.254 CCC/C=C(\CC)/COC[C@@H](C)O 34a_200015372368_100009817552 [1,0,0,0,0,0|0,0,2]=3 352 B12R0.254 CCC/C=C(\CC)/COC[C@@H](C)O 7a_200015372368_100009817552 [1,0,0,0,0,0|0,0,2]=3 353 B12R0.254 CCCCC(=NNCC(C)O)CC 4a_200000730056_100000753412 [1,0,0,0,0,0|2,0,1]=4 354 B12R0.254 CCCCC(CC)CCCN(C)C 2230a_100011691468_200000210301 [1,0,0,0,0,0|3,0,0]=4 355 B12R0.254 CCCCC(CC)CCCN(C)C 269982a_100011691468_200000210301 [1,0,0,0,0,0|3,0,0]=4 356 B12R0.254 CCCCC(CC)CCCN(C)[13CH3] 2230a_100011691468_200025704644 [1,0,0,0,0,0|3,0,0]=4 357 B12R0.254 CCCCC(CC)CCCN(C)[13CH3] 269982a_100011691468_200025704644 [1,0,0,0,0,0|3,0,0]=4 358 B12R0.254 CCCCC(CC)CNCC(=O)O 269956a_100016091260_100000211942 [1,0,0,0,0,0|1,0,2]=4 359 B12R0.254 CCCCC(CC)CNCC(C)C 2230a_100000209976_100000210760 [1,0,0,0,0,0|2,0,0]=3 360 B12R0.254 CCCCC(CC)CNCC(C)C 2230a_100000210953_100000211942 [1,0,0,0,0,0|2,0,0]=3 361 B12R0.254 CCCCC(CC)CNCC(C)C 269862a_100000210953_100011219736 [1,0,0,0,0,0|2,0,0]=3 362 B12R0.254 CCCCC(CC)CNCC(C)C 270004a_100000209976_100000210432 [1,0,0,0,0,0|2,0,0]=3 363 B12R0.254 CCCCC(CC)CNCC(C)C 270004a_100000210953_100011219736 [1,0,0,0,0,0|2,0,0]=3 364 B12R0.254 CCCCC(CC)CNCC(C)C 34a_100000210953_100000211942 [1,0,0,0,0,0|2,0,0]=3 365 B12R0.254 CCCCC(CC)CNCC(C)O 2230a_100000209976_100011218427 [1,0,0,0,0,0|1,0,0]=2 366 B12R0.254 CCCCC(CC)CNCC(C)O 2230a_100000210904_100000211942 [1,0,0,0,0,0|1,0,0]=2 367 B12R0.254 CCCCC(CC)CNCC(C)O 269862a_100000210904_100011219736 [1,0,0,0,0,0|1,0,0]=2 368 B12R0.254 CCCCC(CC)CNCC(C)O 270004a_100000210904_100011219736 [1,0,0,0,0,0|1,0,0]=2 369 B12R0.254 CCCCC(CC)CNCC(C)O 34a_100000210904_100000211942 [1,0,0,0,0,0|1,0,0]=2 370 B12R0.254 CCCCC(CC)CNCC(F)F 2230a_100000209976_100011934356 [1,0,0,0,0,0|3,0,0]=4 371 B12R0.254 CCCCC(CC)CNCC(F)F 270004a_100000765723_100011219736 [1,0,0,0,0,0|3,0,0]=4 372 B12R0.254 CCCCC(CC)CNCC(F)F 34a_100000765723_100000211942 [1,0,0,0,0,0|3,0,0]=4 373 B12R0.254 CCCCC(CC)CNC[C@@H](C)O 2230a_100000209976_100009817552 [1,0,0,0,0,0|1,0,0]=2 374 B12R0.254 CCCCC(CC)COCC(=O)C 34a_100000211253_100000211942 [1,0,0,0,0,0|0,0,2]=3 375 B12R0.254 CCCCC(CC)COCC(=O)N 34a_100000210273_100000187820 [1,0,0,0,0,0|1,0,2]=4 376 B12R0.254 CCCCC(CC)COCC(=O)N 7a_100000210273_100000187820 [1,0,0,0,0,0|1,0,2]=4 377 B12R0.254 CCCCC(CC)COCC(=O)[O-] 34a_100000210273_100020667443 [1,0,0,0,0,0|0,0,3]=4 378 B12R0.254 CCCCC(CC)COCC(C)Br 34a_100012180447_100000211942 [1,0,0,0,0,0|1,0,0]=2 379 B12R0.254 CCCCC(CC)COCC(C)C 34a_100000210257_100000211942 [1,0,0,0,0,0|1,0,0]=2 380 B12R0.254 CCCCC(CC)COCC(C)C 34a_100000210273_100000210624 [1,0,0,0,0,0|1,0,0]=2 381 B12R0.254 CCCCC(CC)COCC(C)C 7a_100000210273_100000210760 [1,0,0,0,0,0|1,0,0]=2 382 B12R0.254 CCCCC(CC)COCC(C)F 34a_100015925927_100000211942 [1,0,0,0,0,0|1,0,0]=2 383 B12R0.254 CCCCC(CC)COCC(C)O 34a_100000210273_100011218427 [1,0,0,0,0,0|0,0,0]=1 384 B12R0.254 CCCCC(CC)COCC(C)O 7a_100000210273_100011218427 [1,0,0,0,0,0|0,0,0]=1 385 B12R0.254 CCCCC(CC)COCC(F)F 34a_100000210273_100011934356 [1,0,0,0,0,0|2,0,0]=3 386 B12R0.254 CCCCC(CC)COCC(F)F 34a_100000743014_100000211942 [1,0,0,0,0,0|2,0,0]=3 387 B12R0.254 CCCCC(CC)COCC(F)F 7a_100000210273_100011934356 [1,0,0,0,0,0|2,0,0]=3 388 B12R0.254 CCCCC(CC)COC[C@@H](C)Cl 34a_100016084084_100000211942 [1,0,0,0,0,0|1,0,0]=2 389 B12R0.254 CCCCC(CC)COC[C@@H](C)N 34a_100000737577_100000211942 [1,0,0,0,0,0|1,0,0]=2 390 B12R0.254 CCCCC(CC)COC[C@@H](C)O 34a_100000210273_100009817552 [1,0,0,0,0,0|0,0,0]=1 391 B12R0.254 CCCCC(CC)COC[C@@H](C)O 7a_100000210273_100009817552 [1,0,0,0,0,0|0,0,0]=1 392 B12R0.254 CCCCC(CC)COC[N+](=O)[O-] 34a_100000210273_100000761209 [1,0,0,0,0,0|1,0,2]=4 393 B12R0.254 CCCCC(CC)CSCC(C)C 62a_100000210624_100000211942 [1,0,0,0,0,0|1,1,0]=3 394 B12R0.254 CCCCC(CC)CSCC(C)C 62a_100000211942_100000210760 [1,0,0,0,0,0|1,1,0]=3 395 B12R0.254 CCCCC(CC)CSCC(C)O 62a_100000211942_100011218427 [1,0,0,0,0,0|0,1,0]=2 396 B12R0.254 CCCCC(CC)CSCC(C)O 62a_100011218427_100000211942 [1,0,0,0,0,0|0,1,0]=2 397 B12R0.254 CCCCC(CC)CSCC(F)F 62a_100000211942_100011934356 [1,0,0,0,0,0|2,1,0]=4 398 B12R0.254 CCCCC(CC)CSCC(F)F 62a_100011934356_100000211942 [1,0,0,0,0,0|2,1,0]=4 399 B12R0.254 CCCCC(CC)CSC[C@@H](C)O 62a_100000211942_100009817552 [1,0,0,0,0,0|0,1,0]=2 400 B12R0.254 CCCCC(CC)CSC[C@@H](C)O 62a_100009817552_100000211942 [1,0,0,0,0,0|0,1,0]=2 401 B12R0.254 CCCCC(CC)NCCC(C)C 270004a_100000210545_100000753412 [1,0,0,0,0,0|3,0,0]=4 402 B12R0.254 CCCCC(CC)NCCC(C)O 270004a_200000755665_100000753412 [1,0,0,0,0,0|2,0,0]=3 403 B12R0.254 CCCCC(CC)NOCC(=O)O 269956a_100000106656_200011216223 [1,0,0,0,0,0|1,0,2]=4 404 B12R0.254 CCCCC(CC)OCCC(C)Br 34a_100009893172_200011216223 [1,0,0,0,0,0|3,0,0]=4 405 B12R0.254 CCCCC(CC)OCCC(C)C 34a_100000210254_200011216223 [1,0,0,0,0,0|3,0,0]=4 406 B12R0.254 CCCCC(CC)OCCC(C)C 34a_100011215227_100000210312 [1,0,0,0,0,0|3,0,0]=4 407 B12R0.254 CCCCC(CC)OCCC(C)C 7a_100000210254_200011216223 [1,0,0,0,0,0|3,0,0]=4 408 B12R0.254 CCCCC(CC)OCCC(C)C 7a_100011215227_100000210626 [1,0,0,0,0,0|3,0,0]=4 409 B12R0.254 CCCCC(CC)OCCC(C)O 34a_100011215227_100012276601 [1,0,0,0,0,0|2,0,0]=3 410 B12R0.254 CCCCC(CC)OCCC(C)O 7a_100011215227_100012276601 [1,0,0,0,0,0|2,0,0]=3 411 B12R0.254 CCCCC(CC)OCC[C@@H](C)N 34a_100000706166_200011216223 [1,0,0,0,0,0|3,0,0]=4 412 B12R0.254 CCCCC(CC)SCCC(C)C 62a_100000210312_200011216223 [1,0,0,0,0,0|3,0,0]=4 413 B12R0.254 CCCCC(CC)SCCC(C)C 62a_200011216223_100000210312 [1,0,0,0,0,0|3,0,0]=4 414 B12R0.254 CCCCC(CC)SCCC(C)O 62a_100012276601_200011216223 [1,0,0,0,0,0|2,0,0]=3 415 B12R0.254 CCCCC(CC)SCCC(C)O 62a_200011216223_100012276601 [1,0,0,0,0,0|2,0,0]=3 416 B12R0.254 CCCCN(CC)CCCC(C)C 2230a_100000207695_100011214892 [1,0,0,0,0,0|3,0,0]=4 417 B12R0.254 CCCCN(CC)CCCC(C)C 269982a_100000207695_100011214892 [1,0,0,0,0,0|3,0,0]=4 418 B12R0.254 CCCCN(CC)CCCC(C)O 2230a_100000207695_200000718107 [1,0,0,0,0,0|2,0,0]=3 419 B12R0.254 CCCCN(CC)CCCC(C)O 269982a_100000207695_200000718107 [1,0,0,0,0,0|2,0,0]=3 420 B12R0.254 CCCC[C@@H](CO)NCCC(C)O 2230a_100011934283_100012276601 [1,0,0,0,0,0|3,0,0]=4 421 B12R0.254 CCCC[C@@H](CO)NCCC(C)O 34a_100011934283_100012276601 [1,0,0,0,0,0|3,0,0]=4 422 B12R0.254 CCN(CCCC(C)O)CCOC 2230a_100000731262_200000718107 [1,0,0,0,0,0|3,0,0]=4 423 B12R0.254 CCN(CCCC(C)O)CCOC 269982a_100000731262_200000718107 [1,0,0,0,0,0|3,0,0]=4 424 B14R0.356 CCCCC(CC)CNCC(C)C(=O)O 269956a_100000749485_100000211942 [0,1,0,0,0,0|2,0,1]=4 425 B14R0.356 CCCCC(CC)CNCC(F)C(=O)O 269956a_100000084737_100000211942 [0,1,0,0,0,0|2,0,1]=4 426 B14R0.356 CCCCC(CC)CNCC(O)C(C)C 2230a_100000759067_100000211942 [0,1,0,0,0,0|2,0,0]=3 427 B14R0.356 CCCCC(CC)CNCC(O)C(C)C 269862a_100000759067_100011219736 [0,1,0,0,0,0|2,0,0]=3 428 B14R0.356 CCCCC(CC)CNCC(O)C(C)C 270004a_100000759067_100011219736 [0,1,0,0,0,0|2,0,0]=3 429 B14R0.356 CCCCC(CC)CNCC(O)C(C)C 34a_100000759067_100000211942 [0,1,0,0,0,0|2,0,0]=3 430 B14R0.356 CCCCC(CC)COCC(=O)C(C)C 34a_100000210273_100000753385 [0,1,0,0,0,0|1,0,2]=4 431 B14R0.356 CCCCC(CC)COCC(=O)C(C)C 7a_100000210273_100000753385 [0,1,0,0,0,0|1,0,2]=4 432 B14R0.356 CCCCC(CC)COCC(C)C(=O)C 34a_100000032740_100000211942 [0,1,0,0,0,0|1,0,2]=4 433 B14R0.356 CCCCC(CC)COCC(C)C(=O)C 7a_100000032740_100000211942 [0,1,0,0,0,0|1,0,2]=4 434 B14R0.356 CCCCC(CC)COCC(C)[N+](=O)[O-] 34a_100000039676_100000211942 [0,1,0,0,0,0|2,0,1]=4 435 B14R0.356 CCCCC(CC)COCC(C)[N+](=O)[O-] 7a_100000039676_100000211942 [0,1,0,0,0,0|2,0,1]=4 436 B14R0.356 CCCCC(CC)COC[C@H](N)C(=O)N 34a_100000729942_100000211942 [0,1,0,0,0,0|1,0,2]=4 437 B14R0.356 CCCCC(CC)COC[C@H](N)C(C)C 34a_100011830312_100000211942 [0,1,0,0,0,0|2,0,0]=3 438 B14R0.357 CCCCC(CC)CC(=O)CC(C)CC 1458a_100000708755_100000211942 [0,1,0,0,0,0|3,0,0]=4 439 B14R0.357 CCCCC(CC)CC(=O)CC(O)CC 1458a_100011667805_100000211942 [0,1,0,0,0,0|2,0,0]=3 440 B14R0.357 CCCCC(CC)CC(C)OC(C)CO 7a_200011290772_100012180447 [0,1,0,0,0,0|3,0,0]=4 441 B14R0.357 CCCCC(CC)CN(C)CC(C)CC 2230a_100000753921_100000211942 [0,1,0,0,0,0|3,0,0]=4 442 B14R0.357 CCCCC(CC)CN(C)CC(C)CC 269982a_100000753921_100000211942 [0,1,0,0,0,0|3,0,0]=4 443 B14R0.357 CCCCC(CC)CN(C)CC(C)CC 270004a_100000753921_100011219736 [0,1,0,0,0,0|3,0,0]=4 444 B14R0.357 CCCCC(CC)CN(C)CC(O)CO 2230a_100011216503_100000211942 [0,1,0,0,0,0|1,0,0]=2 445 B14R0.357 CCCCC(CC)CN(C)CC(O)CO 269982a_100011216503_100000211942 [0,1,0,0,0,0|1,0,0]=2 446 B14R0.357 CCCCC(CC)CN(C)CC(O)CO 270004a_100011216503_100011219736 [0,1,0,0,0,0|1,0,0]=2 447 B14R0.370 C=C[C@@H](C)[C@@H](C)OCC(CC)CCCC 34a_100015455354_100000211942 [0,1,0,0,0,0|2,0,1]=4 448 B14R0.370 C=C[C@@H](C)[C@@H](C)OCC(CC)CCCC 7a_100015455354_100000211942 [0,1,0,0,0,0|2,0,1]=4 449 B14R0.370 CCCCC(CC)CNC(=O)C(O)CC 240690a_100000209976_100011196387 [0,1,0,0,0,0|2,0,1]=4 450 B14R0.370 CCCCC(CC)CNC(=O)C(O)CO 240690a_100000209976_100011215603 [0,1,0,0,0,0|1,0,1]=3 451 B14R0.370 CCCCC(CC)CNC(C)C(C)CC 269862a_100000209976_100000210599 [0,1,0,0,0,0|3,0,0]=4 452 B14R0.370 CCCCC(CC)CNC(C)C(C)CC 270004a_100000209976_100000210599 [0,1,0,0,0,0|3,0,0]=4 453 B14R0.370 CCCCC(CC)COC(C)C(=O)CC 7a_100000210273_100000742827 [0,1,0,0,0,0|1,0,2]=4 454 B14R0.370 CCCCC(CC)COC(C)C(C)CC 7a_100011215189_100000211942 [0,1,0,0,0,0|2,0,0]=3 455 B14R0.669 CCCCC(CCC)NCCC(C)CO 34a_106354213184_100000211913 [0,1,0,0,0,0|3,0,0]=4 456 B14R0.970 CCC/C=C(\CC)/COCC(C)(C)CO 34a_200015372368_100009813988 [0,1,0,0,0,0|1,0,2]=4 457 B14R0.970 CCC/C=C(\CC)/COCC(C)(C)CO 7a_200015372368_100009813988 [0,1,0,0,0,0|1,0,2]=4 458 B14R0.970 CCCCC(CC)CNCC(C)(C)CO 2230a_100020635058_100000211942 [0,1,0,0,0,0|2,0,0]=3 459 B14R0.970 CCCCC(CC)CNCC(C)(C)CO 269862a_100020635058_100011219736 [0,1,0,0,0,0|2,0,0]=3 460 B14R0.970 CCCCC(CC)CNCC(C)(C)CO 270004a_100020635058_100011219736 [0,1,0,0,0,0|2,0,0]=3 461 B14R0.970 CCCCC(CC)COCC(C)(C)CC 7a_100000765029_100000211942 [0,1,0,0,0,0|2,0,0]=3 462 B14R0.970 CCCCC(CC)COCC(C)(C)CCl 7a_100011217199_100000211942 [0,1,0,0,0,0|2,0,0]=3 463 B14R0.970 CCCCC(CC)COCC(C)(C)CO 34a_100000210273_100009813988 [0,1,0,0,0,0|1,0,0]=2 464 B14R0.970 CCCCC(CC)COCC(C)(C)CO 7a_100000210273_100009813988 [0,1,0,0,0,0|1,0,0]=2 465 B14R0.970 CCCCC(CC)COCC(C)(C)OC 34a_100000210273_100000701081 [0,1,0,0,0,0|3,0,0]=4 466 B14R0.970 CCCCC(CC)COCC(F)(F)CN 34a_100000703232_100000211942 [0,1,0,0,0,0|2,0,0]=3 467 B14R0.970 CCCCC(CC)CSCC(C)(C)CO 62a_100000211942_100009813988 [0,1,0,0,0,0|1,1,0]=3 468 B14R0.970 CCCCC(CC)CSCC(C)(C)CO 62a_100009813988_100000211942 [0,1,0,0,0,0|1,1,0]=3 469 B14R0.2010 CCCCCC(CC)NCCC(C)CO 270004a_106354213184_100011215316 [0,1,0,0,0,0|3,0,0]=4 470 B14R0.2166 CCCCC(CC)CNCC(CC)CC 2230a_100000209976_100011215472 [0,1,0,0,0,0|3,0,0]=4 471 B14R0.2166 CCCCC(CC)CNCC(CC)CC 2230a_100102946423_100000211942 [0,1,0,0,0,0|3,0,0]=4 472 B14R0.2166 CCCCC(CC)CNCC(CC)CC 269862a_100000209976_100000211137 [0,1,0,0,0,0|3,0,0]=4 473 B14R0.2166 CCCCC(CC)CNCC(CC)CC 269862a_100102946423_100011219736 [0,1,0,0,0,0|3,0,0]=4 474 B14R0.2166 CCCCC(CC)CNCC(CC)CC 270004a_100000209976_100000211137 [0,1,0,0,0,0|3,0,0]=4 475 B14R0.2166 CCCCC(CC)CNCC(CC)CC 270004a_100102946423_100011219736 [0,1,0,0,0,0|3,0,0]=4 476 B14R0.2166 CCCCC(CC)CNCC(CC)OC 269862a_100000731041_100011219736 [0,1,0,0,0,0|2,0,0]=3 477 B14R0.2166 CCCCC(CC)CNCC(CC)OC 270004a_100000731041_100011219736 [0,1,0,0,0,0|2,0,0]=3 478 B14R0.2166 CCCCC(CC)CNCC(OC)OC 2230a_100000209976_100000751394 [0,1,0,0,0,0|3,0,0]=4 479 B14R0.2166 CCCCC(CC)CNCC(OC)OC 270004a_100000209976_100000752162 [0,1,0,0,0,0|3,0,0]=4 480 B14R0.2166 CCCCC(CC)CNCC(OC)OC 270004a_100000210479_100011219736 [0,1,0,0,0,0|3,0,0]=4 481 B14R0.2166 CCCCC(CC)COCC(CC)CC 34a_100000210273_100011215472 [0,1,0,0,0,0|2,0,0]=3 482 B14R0.2166 CCCCC(CC)COCC(CC)CC 7a_100000210273_100011215472 [0,1,0,0,0,0|2,0,0]=3 483 B14R0.2166 CCCCC(CC)COCC(CC)CC 7a_100000703878_100000211942 [0,1,0,0,0,0|2,0,0]=3 484 B14R0.2166 CCCCC(CC)COCC(CC)OC 34a_100011934954_100000211942 [0,1,0,0,0,0|1,0,0]=2 485 B14R0.2166 CCCCC(CC)COCC(CC)OC 7a_100011934954_100000211942 [0,1,0,0,0,0|1,0,0]=2 486 B14R0.2166 CCCCC(CC)COCC(OC)OC 34a_100000210273_100000211822 [0,1,0,0,0,0|2,0,0]=3 487 B14R0.2166 CCCCC(CC)COCC(OC)OC 34a_100011216393_100000211942 [0,1,0,0,0,0|2,0,0]=3 488 B14R0.2166 CCCCC(CC)COCC(OC)OC 7a_100000210273_100000751394 [0,1,0,0,0,0|2,0,0]=3 489 B14R0.2166 CCCCC(CC)COCN(CC)CC 7a_200015374951_100000211942 [0,1,0,0,0,0|3,0,0]=4 490 B14R0.2166 CCCCC(CC)CSCC(OC)OC 62a_100000211942_100000751394 [0,1,0,0,0,0|2,1,0]=4 491 B14R0.2166 CCCCC(CC)CSCC(OC)OC 62a_100000751394_100000211942 [0,1,0,0,0,0|2,1,0]=4 492 B14R0.2270 C=CCC(C)COCC(CC)CCCC 34a_100009832082_100000211942 [0,1,0,0,0,0|2,0,0]=3 493 B14R0.2270 C=CCC(C)COCC(CC)CCCC 7a_100009832082_100000211942 [0,1,0,0,0,0|2,0,0]=3 494 B14R0.2270 C=CC[C@@H](N)COCC(CC)CCCC 34a_100020615467_100000211942 [0,1,0,0,0,0|2,0,0]=3 495 B14R0.2270 CCC/C=C(\CC)/CNCC(O)COC 269862a_100000756049_100020616858 [0,1,0,0,0,0|1,0,2]=4 496 B14R0.2270 CCC/C=C(\CC)/COCC(O)COC 34a_200015372368_100011215053 [0,1,0,0,0,0|0,0,2]=3 497 B14R0.2270 CCC/C=C(\CC)/COCC(O)COC 7a_200015372368_100011215053 [0,1,0,0,0,0|0,0,2]=3 498 B14R0.2270 CCC/C=C(\CC)/COC[C@@H](O)CC#N 7a_200015372368_100000001066 [0,1,0,0,0,0|1,0,2]=4 499 B14R0.2270 CCCCC(CC)CCCN(C)CCO 2230a_100011691468_100000211926 [0,1,0,0,0,0|3,0,0]=4 500 B14R0.2270 CCCCC(CC)CCCN(C)CCO 269982a_100011691468_100000211926 [0,1,0,0,0,0|3,0,0]=4 501 B14R0.2270 CCCCC(CC)CCCN(C)COC 2230a_100011691468_100000766300 [0,1,0,0,0,0|3,0,0]=4 502 B14R0.2270 CCCCC(CC)CCCN(C)COC 269982a_100011691468_100000766300 [0,1,0,0,0,0|3,0,0]=4 503 B14R0.2270 CCCCC(CC)CNCC(=O)NCO 2230a_100000209976_100000185155 [0,1,0,0,0,0|1,0,2]=4 504 B14R0.2270 CCCCC(CC)CNCC(C)CCC 2230a_100000209976_100011216630 [0,1,0,0,0,0|3,0,0]=4 505 B14R0.2270 CCCCC(CC)CNCC(C)CCC 270004a_100000209976_100000243154 [0,1,0,0,0,0|3,0,0]=4 506 B14R0.2270 CCCCC(CC)CNCC(O)COC 2230a_100000756049_100000211942 [0,1,0,0,0,0|1,0,0]=2 507 B14R0.2270 CCCCC(CC)CNCC(O)COC 269862a_100000756049_100011219736 [0,1,0,0,0,0|1,0,0]=2 508 B14R0.2270 CCCCC(CC)CNCC(O)COC 270004a_100000756049_100011219736 [0,1,0,0,0,0|1,0,0]=2 509 B14R0.2270 CCCCC(CC)CNCC(O)COC 34a_100000756049_100000211942 [0,1,0,0,0,0|1,0,0]=2 510 B14R0.2270 CCCCC(CC)CNC[C@@H](O)CC#N 2230a_100000209976_100000001066 [0,1,0,0,0,0|2,0,0]=3 511 B14R0.2270 CCCCC(CC)COCC(=O)CCC 7a_100000210273_100000747444 [0,1,0,0,0,0|1,0,2]=4 512 B14R0.2270 CCCCC(CC)COCC(=O)NCC 34a_100000210273_100000183381 [0,1,0,0,0,0|1,0,2]=4 513 B14R0.2270 CCCCC(CC)COCC(=O)NCC 7a_100000210273_100000183381 [0,1,0,0,0,0|1,0,2]=4 514 B14R0.2270 CCCCC(CC)COCC(=O)NCO 34a_100000210273_100000185155 [0,1,0,0,0,0|0,0,2]=3 515 B14R0.2270 CCCCC(CC)COCC(=O)NCO 7a_100000210273_100000185155 [0,1,0,0,0,0|0,0,2]=3 516 B14R0.2270 CCCCC(CC)COCC(=O)OCC 34a_100000210273_100000188475 [0,1,0,0,0,0|1,0,2]=4 517 B14R0.2270 CCCCC(CC)COCC(=O)OCC 7a_100000210273_100000188475 [0,1,0,0,0,0|1,0,2]=4 518 B14R0.2270 CCCCC(CC)COCC(C)CCC 34a_100000210273_100011216630 [0,1,0,0,0,0|2,0,0]=3 519 B14R0.2270 CCCCC(CC)COCC(C)CCC 34a_100000688023_100000211942 [0,1,0,0,0,0|2,0,0]=3 520 B14R0.2270 CCCCC(CC)COCC(C)CCC 7a_100000210273_100011216630 [0,1,0,0,0,0|2,0,0]=3 521 B14R0.2270 CCCCC(CC)COCC(C)CCC 7a_100000688023_100000211942 [0,1,0,0,0,0|2,0,0]=3 522 B14R0.2270 CCCCC(CC)COCC(C)CCN 34a_106354213184_100000211942 [0,1,0,0,0,0|2,0,0]=3 523 B14R0.2270 CCCCC(CC)COCC(N)COC 34a_100000724102_100000211942 [0,1,0,0,0,0|1,0,0]=2 524 B14R0.2270 CCCCC(CC)COCC(O)COC 34a_100000210273_100011215053 [0,1,0,0,0,0|0,0,0]=1 525 B14R0.2270 CCCCC(CC)COCC(O)COC 7a_100000210273_100011215053 [0,1,0,0,0,0|0,0,0]=1 526 B14R0.2270 CCCCC(CC)COC[C@@H](N)CCC 34a_100000732646_100000211942 [0,1,0,0,0,0|2,0,0]=3 527 B14R0.2270 CCCCC(CC)COC[C@@H](O)CC#N 7a_100000210273_100000001066 [0,1,0,0,0,0|1,0,0]=2 528 B14R0.2270 CCCCC(CC)CSCC(=O)NCO 62a_100000185155_100000211942 [0,1,0,0,0,0|0,1,2]=4 529 B14R0.2270 CCCCC(CC)CSCC(=O)NCO 62a_100000211942_100000185155 [0,1,0,0,0,0|0,1,2]=4 530 B14R0.2270 CCCCC(CC)CSCC(O)COC 62a_100000211942_100011215053 [0,1,0,0,0,0|0,1,0]=2 531 B14R0.2270 CCCCC(CC)CSCC(O)COC 62a_100011215053_100000211942 [0,1,0,0,0,0|0,1,0]=2 532 B14R0.2270 CCCCC(CC)CSC[C@@H](O)CC#N 62a_100000001066_100000211942 [0,1,0,0,0,0|1,1,0]=3 533 B14R0.2270 CCCCC(CC)CSC[C@@H](O)CC#N 62a_100000211942_100000001066 [0,1,0,0,0,0|1,1,0]=3 534 B14R0.2348 CCC(C)CC(CC)NCCC(C)CO 270004a_106354213184_100000184709 [0,1,0,0,0,0|3,0,0]=4 535 B14R0.2520 CCCCC(NCCC(C)CO)C(C)C 270004a_106354213184_200011215219 [0,1,0,0,0,0|3,0,0]=4 536 B14R0.2911 C=CC(O)COC(C)C(CC)CCCC 34a_200011290779_100000730141 [0,1,0,0,0,0|1,0,1]=3 537 B14R0.2911 C=CC(O)COC(C)C(CC)CCCC 7a_200011290779_100000730141 [0,1,0,0,0,0|1,0,1]=3 538 B14R0.2911 CCCCC(CC)C(=O)NCC(C)CO 240690a_100000744482_100000211130 [0,1,0,0,0,0|2,0,1]=4 539 B14R0.2911 CCCCC(CC)C(=O)NCC(C)CO 527a_100000744482_100000211130 [0,1,0,0,0,0|2,0,1]=4 540 B14R0.2911 CCCCC(CC)C(=O)NCC(O)CC 11a_100011218483_100000211130 [0,1,0,0,0,0|2,0,1]=4 541 B14R0.2911 CCCCC(CC)C(=O)NCC(O)CC 240690a_100011218483_100000211130 [0,1,0,0,0,0|2,0,1]=4 542 B14R0.2911 CCCCC(CC)C(=O)NCC(O)CC 527a_100011218483_100000211130 [0,1,0,0,0,0|2,0,1]=4 543 B14R0.2911 CCCCC(CC)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000211130 [0,1,0,0,0,0|2,0,1]=4 544 B14R0.2911 CCCCC(CC)C(=O)NC[C@@H](F)CO 527a_100015665980_100000211130 [0,1,0,0,0,0|2,0,1]=4 545 B14R0.2911 CCCCC(CC)C(=O)NC[C@H](O)CO 240690a_100020644852_100000211130 [0,1,0,0,0,0|1,0,1]=3 546 B14R0.2911 CCCCC(CC)C(=O)NC[C@H](O)CO 527a_100020644852_100000211130 [0,1,0,0,0,0|1,0,1]=3 547 B14R0.2911 CCCCC(CC)C(C)OCC(=O)CC 7a_200011290779_100000747405 [0,1,0,0,0,0|1,0,2]=4 548 B14R0.2911 CCCCC(CC)C(C)OCC(C)CC 34a_200011290779_100000748023 [0,1,0,0,0,0|2,0,0]=3 549 B14R0.2911 CCCCC(CC)C(C)OCC(C)CC 7a_200011290779_100000748023 [0,1,0,0,0,0|2,0,0]=3 550 B14R0.2911 CCCCC(CC)C(C)OCC(O)CC 34a_200011290779_100011218378 [0,1,0,0,0,0|1,0,0]=2 551 B14R0.2911 CCCCC(CC)C(C)OCC(O)CC 7a_200011290779_100011218378 [0,1,0,0,0,0|1,0,0]=2 552 B14R0.2911 CCCCC(CC)C(C)OCC(O)CO 34a_200011290779_100011219619 [0,1,0,0,0,0|0,0,0]=1 553 B14R0.2911 CCCCC(CC)C(C)OCC(O)CO 7a_200011290779_100011219619 [0,1,0,0,0,0|0,0,0]=1 554 B14R0.2911 CCCCC(CC)C(C)OC[C@@H](C)CC 34a_200011290779_100009816398 [0,1,0,0,0,0|2,0,0]=3 555 B14R0.2911 CCCCC(CC)C(C)OC[C@@H](C)CC 7a_200011290779_100009816398 [0,1,0,0,0,0|2,0,0]=3 556 B14R0.2911 CCCCC(CC)C(C)OC[C@@H](C)CO 34a_200011290779_100000059175 [0,1,0,0,0,0|1,0,0]=2 557 B14R0.2911 CCCCC(CC)C(C)OC[C@@H](C)CO 7a_200011290779_100000059175 [0,1,0,0,0,0|1,0,0]=2 558 B14R0.2911 CCCCC(CC)C(C)OC[C@@H](O)CF 34a_200011290779_100015614560 [0,1,0,0,0,0|1,0,0]=2 559 B14R0.2911 CCCCC(CC)C(C)OC[C@@H](O)CF 7a_200011290779_100015614560 [0,1,0,0,0,0|1,0,0]=2 560 B14R0.2911 CCCCC(CC)C(C)OC[C@@H](O)CO 34a_200011290779_100009815848 [0,1,0,0,0,0|0,0,0]=1 561 B14R0.2911 CCCCC(CC)C(C)OC[C@@H](O)CO 7a_200011290779_100009815848 [0,1,0,0,0,0|0,0,0]=1 562 B14R0.2911 CCCCN(CC)C(=O)NC[C@H](O)CO 273464a_100020644852_100000207695 [0,1,0,0,0,0|2,0,1]=4 563 B14R0.3223 CCC(O)(CCCO)CNC[C@@H](C)CO 2230a_100015186943_100000059175 [0,1,0,0,0,0|3,0,0]=4 564 B14R0.3223 CCC(O)(CCCO)CNC[C@@H](O)CF 2230a_100015186943_100015614560 [0,1,0,0,0,0|3,0,0]=4 565 B14R0.3223 CCC(O)CNCC(O)(CC)CCCO 2230a_100015186943_100011218378 [0,1,0,0,0,0|3,0,0]=4 566 B14R1.13 C=C1CCC(CC1)COCC(O)CC 34a_100000074039_100011218378 [0,0,0,1,0,0|1,0,2]=4 567 B14R1.13 C=C1CCC(CC1)COCC(O)CO 34a_100000074039_100011219619 [0,0,0,1,0,0|0,0,2]=3 568 B14R1.13 C=C1CCC(CC1)COC[C@@H](C)CO 34a_100000074039_100000059175 [0,0,0,1,0,0|1,0,2]=4 569 B14R1.13 C=C1CCC(CC1)COC[C@@H](O)CF 34a_100000074039_100015614560 [0,0,0,1,0,0|1,0,2]=4 570 B14R1.13 C=C1CCC(CC1)COC[C@@H](O)CO 34a_100000074039_100009815848 [0,0,0,1,0,0|0,0,2]=3 571 B14R1.13 C=CC(O)CNCC1CCC(CC1)C 2230a_103436935547_100000730141 [0,0,0,1,0,0|2,0,1]=4 572 B14R1.13 C=CC(O)CNCC1CCC(CC1)C 34a_103436935547_100000730141 [0,0,0,1,0,0|2,0,1]=4 573 B14R1.13 C=CC(O)COCC1CCC(CC1)C 34a_100000701341_100000730141 [0,0,0,1,0,0|1,0,1]=3 574 B14R1.13 C=CC(O)COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000730141 [0,0,0,1,0,0|2,0,1]=4 575 B14R1.13 CC(CO)CCNC1CCC(CC1)C 270004a_106354213184_100000185489 [0,0,0,1,0,0|3,0,0]=4 576 B14R1.13 CC(CO)CCNC1CCC(CC1)C 34a_106354213184_200011216234 [0,0,0,1,0,0|3,0,0]=4 577 B14R1.13 CC1CCC(CC1)CNCC(O)CO 2230a_103436935547_100011219619 [0,0,0,1,0,0|1,0,0]=2 578 B14R1.13 CC1CCC(CC1)CNCC(O)CO 34a_103436935547_100011219619 [0,0,0,1,0,0|1,0,0]=2 579 B14R1.13 CC1CCC(CC1)CNC[C@@H](C)CO 2230a_103436935547_100000059175 [0,0,0,1,0,0|2,0,0]=3 580 B14R1.13 CC1CCC(CC1)CNC[C@@H](C)CO 34a_103436935547_100000059175 [0,0,0,1,0,0|2,0,0]=3 581 B14R1.13 CC1CCC(CC1)CNC[C@@H](O)CF 2230a_103436935547_100015614560 [0,0,0,1,0,0|2,0,0]=3 582 B14R1.13 CC1CCC(CC1)CNC[C@@H](O)CF 34a_103436935547_100015614560 [0,0,0,1,0,0|2,0,0]=3 583 B14R1.13 CC1CCC(CC1)CNC[C@@H](O)CO 2230a_103436935547_100009815848 [0,0,0,1,0,0|1,0,0]=2 584 B14R1.13 CC1CCC(CC1)CNC[C@@H](O)CO 34a_103436935547_100009815848 [0,0,0,1,0,0|1,0,0]=2 585 B14R1.13 CC1CCC(CC1)COCC(O)CO 34a_100000701341_100011219619 [0,0,0,1,0,0|0,0,0]=1 586 B14R1.13 CC1CCC(CC1)COC[C@@H](C)CO 34a_100000701341_100000059175 [0,0,0,1,0,0|1,0,0]=2 587 B14R1.13 CC1CCC(CC1)COC[C@@H](O)CF 34a_100000701341_100015614560 [0,0,0,1,0,0|1,0,0]=2 588 B14R1.13 CC1CCC(CC1)COC[C@@H](O)CO 34a_100000701341_100009815848 [0,0,0,1,0,0|0,0,0]=1 589 B14R1.13 CCC(C)CNCC1CCC(CC1)C 2230a_103436935547_100000748023 [0,0,0,1,0,0|3,0,0]=4 590 B14R1.13 CCC(C)CNCC1CCC(CC1)C 270004a_103436935547_100000243153 [0,0,0,1,0,0|3,0,0]=4 591 B14R1.13 CCC(C)CNCC1CCC(CC1)C 34a_103436935547_100000748023 [0,0,0,1,0,0|3,0,0]=4 592 B14R1.13 CCC(C)COCC1CCC(CC1)C 34a_100000701341_100000748023 [0,0,0,1,0,0|2,0,0]=3 593 B14R1.13 CCC(C)COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000748023 [0,0,0,1,0,0|3,0,0]=4 594 B14R1.13 CCC(O)CNCC1CCC(CC1)C 2230a_103436935547_100011218378 [0,0,0,1,0,0|2,0,0]=3 595 B14R1.13 CCC(O)CNCC1CCC(CC1)C 34a_103436935547_100011218378 [0,0,0,1,0,0|2,0,0]=3 596 B14R1.13 CCC(O)COCC1CCC(=O)CC1 34a_100000062911_100011218378 [0,0,0,1,0,0|2,0,1]=4 597 B14R1.13 CCC(O)COCC1CCC(CC1)C 34a_100000701341_100011218378 [0,0,0,1,0,0|1,0,0]=2 598 B14R1.13 CCC(O)COC[C@@H]1CN[C@H](CN1)C 34a_100160570299_100011218378 [0,0,0,1,0,0|3,0,0]=4 599 B14R1.13 CCC(O)COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100011218378 [0,0,0,1,0,0|2,0,0]=3 600 B14R1.13 CCC(O)CSCC1CCN(CC1)C 62a_100011218378_100015183002 [0,0,0,1,0,0|2,1,0]=4 601 B14R1.13 CCC(O)CSCC1CCN(CC1)C 62a_100015183002_100011218378 [0,0,0,1,0,0|2,1,0]=4 602 B14R1.13 CC[C@H](C)CNCC1CCC(CC1)C 2230a_103436935547_100009816398 [0,0,0,1,0,0|3,0,0]=4 603 B14R1.13 CC[C@H](C)CNCC1CCC(CC1)C 34a_103436935547_100009816398 [0,0,0,1,0,0|3,0,0]=4 604 B14R1.13 CC[C@H](C)COCC1CCC(CC1)C 34a_100000701341_100009816398 [0,0,0,1,0,0|2,0,0]=3 605 B14R1.13 CC[C@H](C)COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100009816398 [0,0,0,1,0,0|3,0,0]=4 606 B14R1.13 CN1CCC(CC1)CSCC(O)CO 62a_100011219619_100015183002 [0,0,0,1,0,0|1,1,0]=3 607 B14R1.13 CN1CCC(CC1)CSCC(O)CO 62a_100015183002_100011219619 [0,0,0,1,0,0|1,1,0]=3 608 B14R1.13 CN1CCC(CC1)CSC[C@@H](O)CF 62a_100015183002_100015614560 [0,0,0,1,0,0|2,1,0]=4 609 B14R1.13 CN1CCC(CC1)CSC[C@@H](O)CF 62a_100015614560_100015183002 [0,0,0,1,0,0|2,1,0]=4 610 B14R1.13 CN1CCC(CC1)CSC[C@@H](O)CO 62a_100009815848_100015183002 [0,0,0,1,0,0|1,1,0]=3 611 B14R1.13 CN1CCC(CC1)CSC[C@@H](O)CO 62a_100015183002_100009815848 [0,0,0,1,0,0|1,1,0]=3 612 B14R1.13 C[C@@H](CO)COCC1CCC(=O)CC1 34a_100000062911_100000059175 [0,0,0,1,0,0|2,0,1]=4 613 B14R1.13 C[C@@H](CO)COC[C@@H]1CN[C@H](CN1)C 34a_100160570299_100000059175 [0,0,0,1,0,0|3,0,0]=4 614 B14R1.13 C[C@@H](CO)COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000059175 [0,0,0,1,0,0|2,0,0]=3 615 B14R1.13 C[C@@H](CO)CSCC1CCN(CC1)C 62a_100000059175_100015183002 [0,0,0,1,0,0|2,1,0]=4 616 B14R1.13 C[C@@H](CO)CSCC1CCN(CC1)C 62a_100015183002_100000059175 [0,0,0,1,0,0|2,1,0]=4 617 B14R1.13 C[C@H]1CN[C@@H](CN1)COCC(O)CO 34a_100160570299_100011219619 [0,0,0,1,0,0|2,0,0]=3 618 B14R1.13 C[C@H]1CN[C@@H](CN1)COC[C@@H](O)CF 34a_100160570299_100015614560 [0,0,0,1,0,0|3,0,0]=4 619 B14R1.13 C[C@H]1CN[C@@H](CN1)COC[C@@H](O)CO 34a_100160570299_100009815848 [0,0,0,1,0,0|2,0,0]=3 620 B14R1.13 N[C@H]1CC[C@@H](CC1)COCC(O)CO 34a_100009821084_100011219619 [0,0,0,1,0,0|1,0,0]=2 621 B14R1.13 N[C@H]1CC[C@@H](CC1)COC[C@@H](O)CF 34a_100009821084_100015614560 [0,0,0,1,0,0|2,0,0]=3 622 B14R1.13 N[C@H]1CC[C@@H](CC1)COC[C@@H](O)CO 34a_100009821084_100009815848 [0,0,0,1,0,0|1,0,0]=2 623 B14R1.13 O=C1CCC(CC1)COCC(O)CO 34a_100000062911_100011219619 [0,0,0,1,0,0|1,0,1]=3 624 B14R1.13 O=C1CCC(CC1)COC[C@@H](O)CF 34a_100000062911_100015614560 [0,0,0,1,0,0|2,0,1]=4 625 B14R1.13 O=C1CCC(CC1)COC[C@@H](O)CO 34a_100000062911_100009815848 [0,0,0,1,0,0|1,0,1]=3 626 B14R1.21 CCCCC(CC)N1CCC(CC1)O 269982a_100025773856_200011216223 [0,0,0,1,0,0|3,0,0]=4 627 B14R1.21 CCCCC(CC)N1CCC(CC1)O 270004a_100025773856_100000753412 [0,0,0,1,0,0|3,0,0]=4 628 B14R1.21 CCCCN(CC)C1CCC(CC1)O 270004a_100000207695_100000764474 [0,0,0,1,0,0|3,0,0]=4 629 B14R1.65 CCCCC1CCN(CC1)C(C)CO 2230a_200016987432_100012180447 [0,0,0,1,0,0|3,0,0]=4 630 B14R1.65 CCCCC1CCN(CC1)C(C)CO 34a_200016987432_100012180447 [0,0,0,1,0,0|3,0,0]=4 631 B14R1.65 CCCCC1CCN(CC1)[C@H](C)CO 269982a_200016987432_100016084084 [0,0,0,1,0,0|3,0,0]=4 632 B14R1.65 CCCCN1CCC(CC1)C(O)CC 2230a_100011935121_100000210211 [0,0,0,1,0,0|3,0,0]=4 633 B14R1.65 CCCCN1CCC(CC1)C(O)CC 269982a_100011935121_100000210211 [0,0,0,1,0,0|3,0,0]=4 634 B14R1.65 CCCCN1CCC(CC1)C(O)CC 34a_100011935121_100000210210 [0,0,0,1,0,0|3,0,0]=4 635 B14R1.466 CCCCC(CC)CN1CCC(C1)O 2230a_100011215560_100000211942 [0,0,0,1,0,0|2,0,0]=3 636 B14R1.466 CCCCC(CC)CN1CCC(C1)O 269982a_100011215560_100000211942 [0,0,0,1,0,0|2,0,0]=3 637 B14R1.466 CCCCC(CC)CN1CCC(C1)O 270004a_100011215560_100011219736 [0,0,0,1,0,0|2,0,0]=3 638 B14R1.466 CCCCC(CC)CN1CC[C@@H](C1)F 2230a_100015203821_100000211942 [0,0,0,1,0,0|3,0,0]=4 639 B14R1.466 CCCCC(CC)CN1CC[C@@H](C1)F 269982a_100015203821_100000211942 [0,0,0,1,0,0|3,0,0]=4 640 B14R1.466 CCCCC(CC)CN1CC[C@@H](C1)F 270004a_100015203821_100011219736 [0,0,0,1,0,0|3,0,0]=4 641 B14R1.466 CCCCC(CC)CN1CC[C@@H](C1)F 34a_100015203821_100000211942 [0,0,0,1,0,0|3,0,0]=4 642 B14R1.466 CCCCC(CC)CN1CC[C@H](C1)C 2230a_100016987628_100000211942 [0,0,0,1,0,0|3,0,0]=4 643 B14R1.466 CCCCC(CC)CN1CC[C@H](C1)C 269982a_100016987628_100000211942 [0,0,0,1,0,0|3,0,0]=4 644 B14R1.466 CCCCC(CC)CN1CC[C@H](C1)C 270004a_100016987628_100011219736 [0,0,0,1,0,0|3,0,0]=4 645 B14R1.466 CCCCC(CC)CN1CC[C@H](C1)C 34a_100016987628_100000211942 [0,0,0,1,0,0|3,0,0]=4 646 B14R1.466 CCCCC(CC)N[C@H]1CC[C@H](C1)O 270004a_100015195300_100000753412 [0,0,0,1,0,0|3,0,0]=4 647 B14R1.837 C=CC(O)COCC1CCCCN1C 34a_100000225079_100000730141 [0,0,0,1,0,0|2,0,1]=4 648 B14R1.837 CC(CN)COCC1CCCCN1C 34a_100000744482_100015186950 [0,0,0,1,0,0|3,0,0]=4 649 B14R1.837 CC(CO)CCNC1CCCCC1C 269862a_106354213184_100000210921 [0,0,0,1,0,0|3,0,0]=4 650 B14R1.837 CC(CO)CCNC1CCCCC1C 270004a_106354213184_100000210921 [0,0,0,1,0,0|3,0,0]=4 651 B14R1.837 CC(CO)CNCC1CCCCN1C 34a_100000744482_100015186950 [0,0,0,1,0,0|3,0,0]=4 652 B14R1.837 CC1CC=CCC1CNC[C@H](O)CO 269862a_100020644852_100000117039 [0,0,0,1,0,0|1,0,2]=4 653 B14R1.837 CC1CC=CCC1COCC(O)CO 34a_100000211322_100011219619 [0,0,0,1,0,0|0,0,2]=3 654 B14R1.837 CC1CC=CCC1COC[C@@H](C)CO 34a_100000211322_100000059175 [0,0,0,1,0,0|1,0,2]=4 655 B14R1.837 CC1CC=CCC1COC[C@@H](O)CF 34a_100000211322_100015614560 [0,0,0,1,0,0|1,0,2]=4 656 B14R1.837 CC1CC=CCC1COC[C@@H](O)CO 34a_100000211322_100009815848 [0,0,0,1,0,0|0,0,2]=3 657 B14R1.837 CCC(C)COCC1CCCCN1C 34a_100000225079_100000748023 [0,0,0,1,0,0|3,0,0]=4 658 B14R1.837 CCC(O)CNCC1CCCCC1O 34a_100011216029_100011218378 [0,0,0,1,0,0|3,0,0]=4 659 B14R1.837 CCC(O)CNCC1CCCCN1C 34a_100011228421_100011218378 [0,0,0,1,0,0|3,0,0]=4 660 B14R1.837 CCC(O)COCC1CC=CCC1C 34a_100000211322_100011218378 [0,0,0,1,0,0|1,0,2]=4 661 B14R1.837 CCC(O)COCC1CCCCC1=O 34a_100009861125_100011218378 [0,0,0,1,0,0|2,0,1]=4 662 B14R1.837 CCC(O)COCC1CCCCC1=O 7a_100009861125_100011218378 [0,0,0,1,0,0|2,0,1]=4 663 B14R1.837 CCC(O)COCC1CCCCN1C 34a_100000225079_100011218378 [0,0,0,1,0,0|2,0,0]=3 664 B14R1.837 CCC(O)COCC1COCCC1N 34a_214813039666_100011218378 [0,0,0,1,0,0|3,0,0]=4 665 B14R1.837 CCC(O)COCC1COCCN1C 34a_100013547906_100011218378 [0,0,0,1,0,0|3,0,0]=4 666 B14R1.837 CCC(O)CSCC1CCCCN1C 62a_100011218378_100015185383 [0,0,0,1,0,0|2,1,0]=4 667 B14R1.837 CCC(O)CSCC1CCCCN1C 62a_100015185383_100011218378 [0,0,0,1,0,0|2,1,0]=4 668 B14R1.837 CC[C@H](C)COCC1CCCCN1C 34a_100000225079_100009816398 [0,0,0,1,0,0|3,0,0]=4 669 B14R1.837 CC[C@H](C)COCC1CCCCN1C 7a_100009816381_100015185383 [0,0,0,1,0,0|3,0,0]=4 670 B14R1.837 CN1CCCCC1CNCC(O)CO 34a_100011228421_100011219619 [0,0,0,1,0,0|2,0,0]=3 671 B14R1.837 CN1CCCCC1CNC[C@@H](F)CO 34a_100015665980_100015186950 [0,0,0,1,0,0|3,0,0]=4 672 B14R1.837 CN1CCCCC1CNC[C@@H](O)CF 34a_100011228421_100015614560 [0,0,0,1,0,0|3,0,0]=4 673 B14R1.837 CN1CCCCC1CNC[C@@H](O)CO 34a_100011228421_100009815848 [0,0,0,1,0,0|2,0,0]=3 674 B14R1.837 CN1CCCCC1COCC(Cl)CCl 34a_100000033668_100015186950 [0,0,0,1,0,0|3,0,0]=4 675 B14R1.837 CN1CCCCC1COCC(O)CO 34a_100000225079_100011219619 [0,0,0,1,0,0|1,0,0]=2 676 B14R1.837 CN1CCCCC1COC[C@@H](O)CF 34a_100000225079_100015614560 [0,0,0,1,0,0|2,0,0]=3 677 B14R1.837 CN1CCCCC1COC[C@@H](O)CO 34a_100000225079_100009815848 [0,0,0,1,0,0|1,0,0]=2 678 B14R1.837 CN1CCCCC1COC[C@H](F)CN 34a_100015665980_100015186950 [0,0,0,1,0,0|3,0,0]=4 679 B14R1.837 CN1CCCCC1CSCC(O)CO 62a_100011219619_100015185383 [0,0,0,1,0,0|1,1,0]=3 680 B14R1.837 CN1CCCCC1CSCC(O)CO 62a_100015185383_100011219619 [0,0,0,1,0,0|1,1,0]=3 681 B14R1.837 CN1CCCCC1CSC[C@@H](O)CF 62a_100015185383_100015614560 [0,0,0,1,0,0|2,1,0]=4 682 B14R1.837 CN1CCCCC1CSC[C@@H](O)CF 62a_100015614560_100015185383 [0,0,0,1,0,0|2,1,0]=4 683 B14R1.837 CN1CCCCC1CSC[C@@H](O)CO 62a_100009815848_100015185383 [0,0,0,1,0,0|1,1,0]=3 684 B14R1.837 CN1CCCCC1CSC[C@@H](O)CO 62a_100015185383_100009815848 [0,0,0,1,0,0|1,1,0]=3 685 B14R1.837 CN1CCOCC1COCC(O)CO 34a_100013547906_100011219619 [0,0,0,1,0,0|2,0,0]=3 686 B14R1.837 CN1CCOCC1COC[C@@H](O)CF 34a_100013547906_100015614560 [0,0,0,1,0,0|3,0,0]=4 687 B14R1.837 CN1CCOCC1COC[C@@H](O)CO 34a_100013547906_100009815848 [0,0,0,1,0,0|2,0,0]=3 688 B14R1.837 C[C@@H](CO)CNCC1CCCCC1O 34a_100011216029_100000059175 [0,0,0,1,0,0|3,0,0]=4 689 B14R1.837 C[C@@H](CO)CNCC1CCCCN1C 34a_100011228421_100000059175 [0,0,0,1,0,0|3,0,0]=4 690 B14R1.837 C[C@@H](CO)COCC1CCCCC1=O 34a_100009861125_100000059175 [0,0,0,1,0,0|2,0,1]=4 691 B14R1.837 C[C@@H](CO)COCC1CCCCC1=O 7a_100009861125_100000059175 [0,0,0,1,0,0|2,0,1]=4 692 B14R1.837 C[C@@H](CO)COCC1CCCCN1C 34a_100000225079_100000059175 [0,0,0,1,0,0|2,0,0]=3 693 B14R1.837 C[C@@H](CO)COCC1COCCC1N 34a_214813039666_100000059175 [0,0,0,1,0,0|3,0,0]=4 694 B14R1.837 C[C@@H](CO)COCC1COCCN1C 34a_100013547906_100000059175 [0,0,0,1,0,0|3,0,0]=4 695 B14R1.837 C[C@@H](CO)CSCC1CCCCN1C 62a_100000059175_100015185383 [0,0,0,1,0,0|2,1,0]=4 696 B14R1.837 C[C@@H](CO)CSCC1CCCCN1C 62a_100015185383_100000059175 [0,0,0,1,0,0|2,1,0]=4 697 B14R1.837 NC1CCOCC1COCC(O)CO 34a_214813039666_100011219619 [0,0,0,1,0,0|2,0,0]=3 698 B14R1.837 NC1CCOCC1COC[C@@H](O)CF 34a_214813039666_100015614560 [0,0,0,1,0,0|3,0,0]=4 699 B14R1.837 NC1CCOCC1COC[C@@H](O)CO 34a_214813039666_100009815848 [0,0,0,1,0,0|2,0,0]=3 700 B14R1.837 O=C1CCCCC1COCC(O)CO 34a_100009861125_100011219619 [0,0,0,1,0,0|1,0,1]=3 701 B14R1.837 O=C1CCCCC1COCC(O)CO 7a_100009861125_100011219619 [0,0,0,1,0,0|1,0,1]=3 702 B14R1.837 O=C1CCCCC1COC[C@@H](O)CF 34a_100009861125_100015614560 [0,0,0,1,0,0|2,0,1]=4 703 B14R1.837 O=C1CCCCC1COC[C@@H](O)CF 7a_100009861125_100015614560 [0,0,0,1,0,0|2,0,1]=4 704 B14R1.837 O=C1CCCCC1COC[C@@H](O)CO 34a_100009861125_100009815848 [0,0,0,1,0,0|1,0,1]=3 705 B14R1.837 O=C1CCCCC1COC[C@@H](O)CO 7a_100009861125_100009815848 [0,0,0,1,0,0|1,0,1]=3 706 B14R1.837 OC1CCCCC1CNC[C@@H](O)CF 34a_100011216029_100015614560 [0,0,0,1,0,0|3,0,0]=4 707 B14R1.837 OCC(O)CNCC1CCCCC1O 34a_100011216029_100011219619 [0,0,0,1,0,0|2,0,0]=3 708 B14R1.837 OC[C@H](O)CNCC1CCCCC1O 34a_100011216029_100009815848 [0,0,0,1,0,0|2,0,0]=3 709 B14R1.863 C=CC(O)COC1CCCCC1CC 34a_100000210738_100000730141 [0,0,0,1,0,0|1,0,1]=3 710 B14R1.863 C=CC(O)COC1CCCCC1CC 7a_100000210738_100000730141 [0,0,0,1,0,0|1,0,1]=3 711 B14R1.863 C=CC(O)COC1CCCCC1CN 34a_100011216029_100000730141 [0,0,0,1,0,0|2,0,1]=4 712 B14R1.863 C=CC(O)CO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000730141 [0,0,0,1,0,0|2,0,1]=4 713 B14R1.863 C=CC(O)CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000730141 [0,0,0,1,0,0|2,0,1]=4 714 B14R1.863 C=CC(O)CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000730141 [0,0,0,1,0,0|2,0,1]=4 715 B14R1.863 CCC(=O)COC1CCCCC1CC 7a_100000210738_100000747405 [0,0,0,1,0,0|1,0,2]=4 716 B14R1.863 CCC(C)CNC1CCCCC1CC 269862a_100020588543_100000757040 [0,0,0,1,0,0|3,0,0]=4 717 B14R1.863 CCC(C)CNC1CCCCC1CC 270004a_100020588543_100000757040 [0,0,0,1,0,0|3,0,0]=4 718 B14R1.863 CCC(C)COC1CCCCC1CC 34a_100000210738_100000748023 [0,0,0,1,0,0|2,0,0]=3 719 B14R1.863 CCC(C)COC1CCCCC1CC 7a_100000210738_100000748023 [0,0,0,1,0,0|2,0,0]=3 720 B14R1.863 CCC(C)COC1CCCCC1CN 34a_100011216029_100000748023 [0,0,0,1,0,0|3,0,0]=4 721 B14R1.863 CCC(C)CO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000748023 [0,0,0,1,0,0|3,0,0]=4 722 B14R1.863 CCC(C)CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000748023 [0,0,0,1,0,0|3,0,0]=4 723 B14R1.863 CCC(C)CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000748023 [0,0,0,1,0,0|3,0,0]=4 724 B14R1.863 CCC(O)CNC1CCCCC1CC 269862a_100011218483_100000757040 [0,0,0,1,0,0|2,0,0]=3 725 B14R1.863 CCC(O)CNC1CCCCC1CC 270004a_100011218483_100000757040 [0,0,0,1,0,0|2,0,0]=3 726 B14R1.863 CCC(O)CNC1CCCCC1CO 270004a_100011218483_100009861125 [0,0,0,1,0,0|3,0,0]=4 727 B14R1.863 CCC(O)CNC1CCCCC1OC 270004a_100011218483_100000740605 [0,0,0,1,0,0|3,0,0]=4 728 B14R1.863 CCC(O)CNC1CCCCC1OC 34a_100011208099_100011218378 [0,0,0,1,0,0|3,0,0]=4 729 B14R1.863 CCC(O)COC1CCCCC1CC 34a_100000210738_100011218378 [0,0,0,1,0,0|1,0,0]=2 730 B14R1.863 CCC(O)COC1CCCCC1CC 7a_100000210738_100011218378 [0,0,0,1,0,0|1,0,0]=2 731 B14R1.863 CCC(O)COC1CCCCC1CN 34a_100011216029_100011218378 [0,0,0,1,0,0|2,0,0]=3 732 B14R1.863 CCC(O)CO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100011218378 [0,0,0,1,0,0|2,0,0]=3 733 B14R1.863 CCC(O)CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100011218378 [0,0,0,1,0,0|2,0,0]=3 734 B14R1.863 CCC(O)CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100011218378 [0,0,0,1,0,0|2,0,0]=3 735 B14R1.863 CCC1CCCCC1NCC(C)CO 269862a_100000744482_100000757040 [0,0,0,1,0,0|2,0,0]=3 736 B14R1.863 CCC1CCCCC1NC[C@@H](F)CO 269862a_100015665980_100000757040 [0,0,0,1,0,0|2,0,0]=3 737 B14R1.863 CCC1CCCCC1NC[C@@H](F)CO 270004a_100015665980_100000757040 [0,0,0,1,0,0|2,0,0]=3 738 B14R1.863 CCC1CCCCC1NC[C@H](O)CO 269862a_100020644852_100000757040 [0,0,0,1,0,0|1,0,0]=2 739 B14R1.863 CCC1CCCCC1OCC(O)CO 34a_100000210738_100011219619 [0,0,0,1,0,0|0,0,0]=1 740 B14R1.863 CCC1CCCCC1OCC(O)CO 7a_100000210738_100011219619 [0,0,0,1,0,0|0,0,0]=1 741 B14R1.863 CCC1CCCCC1OC[C@@H](C)CC 34a_100000210738_100009816398 [0,0,0,1,0,0|2,0,0]=3 742 B14R1.863 CCC1CCCCC1OC[C@@H](C)CC 7a_100000210738_100009816398 [0,0,0,1,0,0|2,0,0]=3 743 B14R1.863 CCC1CCCCC1OC[C@@H](C)CO 34a_100000210738_100000059175 [0,0,0,1,0,0|1,0,0]=2 744 B14R1.863 CCC1CCCCC1OC[C@@H](C)CO 7a_100000210738_100000059175 [0,0,0,1,0,0|1,0,0]=2 745 B14R1.863 CCC1CCCCC1OC[C@@H](O)CF 34a_100000210738_100015614560 [0,0,0,1,0,0|1,0,0]=2 746 B14R1.863 CCC1CCCCC1OC[C@@H](O)CF 7a_100000210738_100015614560 [0,0,0,1,0,0|1,0,0]=2 747 B14R1.863 CCC1CCCCC1OC[C@@H](O)CO 34a_100000210738_100009815848 [0,0,0,1,0,0|0,0,0]=1 748 B14R1.863 CCC1CCCCC1OC[C@@H](O)CO 7a_100000210738_100009815848 [0,0,0,1,0,0|0,0,0]=1 749 B14R1.863 CC[C@H](C)COC1CCCCC1CN 34a_100011216029_100009816398 [0,0,0,1,0,0|3,0,0]=4 750 B14R1.863 CC[C@H](C)CO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100009816398 [0,0,0,1,0,0|3,0,0]=4 751 B14R1.863 CC[C@H](C)CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100009816398 [0,0,0,1,0,0|3,0,0]=4 752 B14R1.863 CC[C@H](C)CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100009816398 [0,0,0,1,0,0|3,0,0]=4 753 B14R1.863 CN[C@@H]1CCCC[C@H]1OCC(O)CO 34a_100000708425_100011219619 [0,0,0,1,0,0|1,0,0]=2 754 B14R1.863 CN[C@@H]1CCCC[C@H]1OC[C@@H](C)CO 34a_100000708425_100000059175 [0,0,0,1,0,0|2,0,0]=3 755 B14R1.863 CN[C@@H]1CCCC[C@H]1OC[C@@H](O)CF 34a_100000708425_100015614560 [0,0,0,1,0,0|2,0,0]=3 756 B14R1.863 CN[C@@H]1CCCC[C@H]1OC[C@@H](O)CO 34a_100000708425_100009815848 [0,0,0,1,0,0|1,0,0]=2 757 B14R1.863 COC1CCCCC1NCC(O)CO 34a_100011208099_100011219619 [0,0,0,1,0,0|2,0,0]=3 758 B14R1.863 COC1CCCCC1NC[C@@H](C)CO 34a_100011208099_100000059175 [0,0,0,1,0,0|3,0,0]=4 759 B14R1.863 COC1CCCCC1NC[C@@H](F)CO 270004a_100015665980_100000740605 [0,0,0,1,0,0|3,0,0]=4 760 B14R1.863 COC1CCCCC1NC[C@@H](O)CF 34a_100011208099_100015614560 [0,0,0,1,0,0|3,0,0]=4 761 B14R1.863 COC1CCCCC1NC[C@@H](O)CO 34a_100011208099_100009815848 [0,0,0,1,0,0|2,0,0]=3 762 B14R1.863 CO[C@H]1CCCC[C@@H]1OCC(O)CO 34a_200009815850_100011219619 [0,0,0,1,0,0|1,0,0]=2 763 B14R1.863 CO[C@H]1CCCC[C@@H]1OCC(O)CO 7a_200009815850_100011219619 [0,0,0,1,0,0|1,0,0]=2 764 B14R1.863 CO[C@H]1CCCC[C@@H]1OC[C@@H](C)CO 34a_200009815850_100000059175 [0,0,0,1,0,0|2,0,0]=3 765 B14R1.863 CO[C@H]1CCCC[C@@H]1OC[C@@H](C)CO 7a_200009815850_100000059175 [0,0,0,1,0,0|2,0,0]=3 766 B14R1.863 CO[C@H]1CCCC[C@@H]1OC[C@@H](O)CF 34a_200009815850_100015614560 [0,0,0,1,0,0|2,0,0]=3 767 B14R1.863 CO[C@H]1CCCC[C@@H]1OC[C@@H](O)CF 7a_200009815850_100015614560 [0,0,0,1,0,0|2,0,0]=3 768 B14R1.863 CO[C@H]1CCCC[C@@H]1OC[C@@H](O)CO 34a_200009815850_100009815848 [0,0,0,1,0,0|1,0,0]=2 769 B14R1.863 CO[C@H]1CCCC[C@@H]1OC[C@@H](O)CO 7a_200009815850_100009815848 [0,0,0,1,0,0|1,0,0]=2 770 B14R1.863 C[C@@H](CO)COC1CCCCC1CN 34a_100011216029_100000059175 [0,0,0,1,0,0|2,0,0]=3 771 B14R1.863 NCC1CCCCC1OCC(O)CO 34a_100011216029_100011219619 [0,0,0,1,0,0|1,0,0]=2 772 B14R1.863 NCC1CCCCC1OC[C@@H](O)CF 34a_100011216029_100015614560 [0,0,0,1,0,0|2,0,0]=3 773 B14R1.863 NCC1CCCCC1OC[C@@H](O)CO 34a_100011216029_100009815848 [0,0,0,1,0,0|1,0,0]=2 774 B14R1.863 OCC(O)CNC1CCOCC1CO 2230a_214813039666_100011219619 [0,0,0,1,0,0|3,0,0]=4 775 B14R1.863 OCC(O)CNC1CCOCC1CO 34a_214813039666_100011219619 [0,0,0,1,0,0|3,0,0]=4 776 B14R1.863 OCC1CCCCC1NC[C@@H](F)CO 270004a_100015665980_100009861125 [0,0,0,1,0,0|3,0,0]=4 777 B14R1.863 OCC1COCCC1NC[C@@H](O)CO 2230a_214813039666_100009815848 [0,0,0,1,0,0|3,0,0]=4 778 B14R1.863 OCC1COCCC1NC[C@@H](O)CO 34a_214813039666_100009815848 [0,0,0,1,0,0|3,0,0]=4 779 B14R1.1521 CN1CCC(C1=O)COCC(O)CO 34a_100009823153_100011219619 [0,0,0,1,0,0|2,0,1]=4 780 B14R1.1521 CN1CCC(C1=O)COC[C@@H](O)CO 34a_100009823153_100009815848 [0,0,0,1,0,0|2,0,1]=4 781 B14R1.1586 C=CC(C)COCC1CCCCCC1 34a_100011215527_200000696569 [0,0,0,1,0,0|2,0,1]=4 782 B14R1.1586 C=CC(C)COCC1CCCCCC1 7a_100011215527_200000696569 [0,0,0,1,0,0|2,0,1]=4 783 B14R1.1586 C=CC(O)CNCC1CCCCCC1 2230a_100015204231_100000730141 [0,0,0,1,0,0|2,0,1]=4 784 B14R1.1586 C=CC(O)CNCC1CCCCCC1 34a_100015204231_100000730141 [0,0,0,1,0,0|2,0,1]=4 785 B14R1.1586 C=CC(O)COCC1CCCCCC1 34a_100000699130_100000730141 [0,0,0,1,0,0|1,0,1]=3 786 B14R1.1586 C=CC(O)COCC1CCCCCC1 7a_100000699130_100000730141 [0,0,0,1,0,0|1,0,1]=3 787 B14R1.1586 C=CC(O)CSCC1CCCCCC1 62a_100000730141_200000696569 [0,0,0,1,0,0|1,1,1]=4 788 B14R1.1586 C=CC(O)CSCC1CCCCCC1 62a_200000696569_100000730141 [0,0,0,1,0,0|1,1,1]=4 789 B14R1.1586 C=C[C@H](N)COCC1CCCCCC1 34a_100016989147_200000696569 [0,0,0,1,0,0|2,0,1]=4 790 B14R1.1586 CC(CN)COCC1CCCCCC1 34a_100000744482_200000696569 [0,0,0,1,0,0|2,0,0]=3 791 B14R1.1586 CC(CO)CCNC1CCCCCC1 270004a_106354213184_100000210131 [0,0,0,1,0,0|3,0,0]=4 792 B14R1.1586 CC(CO)CCNC1CCCCCC1 34a_106354213184_100011217769 [0,0,0,1,0,0|3,0,0]=4 793 B14R1.1586 CC(CO)CNCC1CCCCCC1 269862a_100000744482_200000763224 [0,0,0,1,0,0|2,0,0]=3 794 B14R1.1586 CC(CO)CNCC1CCCCCC1 34a_100000744482_200000696569 [0,0,0,1,0,0|2,0,0]=3 795 B14R1.1586 CC(CO)NCCC1CCCCCC1 2230a_100011532351_100012180447 [0,0,0,1,0,0|3,0,0]=4 796 B14R1.1586 CC(CO)NCCC1CCCCCC1 34a_100011532351_100012180447 [0,0,0,1,0,0|3,0,0]=4 797 B14R1.1586 CCC(=O)COCC1CCCCCC1 34a_100000725409_200000696569 [0,0,0,1,0,0|1,0,2]=4 798 B14R1.1586 CCC(=O)COCC1CCCCCC1 7a_100000699130_100000747405 [0,0,0,1,0,0|1,0,2]=4 799 B14R1.1586 CCC(C)CNCC1CCCCCC1 2230a_100015204231_100000748023 [0,0,0,1,0,0|3,0,0]=4 800 B14R1.1586 CCC(C)CNCC1CCCCCC1 2230a_100020588543_200000696569 [0,0,0,1,0,0|3,0,0]=4 801 B14R1.1586 CCC(C)CNCC1CCCCCC1 269862a_100020588543_200000763224 [0,0,0,1,0,0|3,0,0]=4 802 B14R1.1586 CCC(C)CNCC1CCCCCC1 270004a_100015204231_100000243153 [0,0,0,1,0,0|3,0,0]=4 803 B14R1.1586 CCC(C)CNCC1CCCCCC1 34a_100015204231_100000748023 [0,0,0,1,0,0|3,0,0]=4 804 B14R1.1586 CCC(C)COCC1CCCCCC1 34a_100000699130_100000748023 [0,0,0,1,0,0|2,0,0]=3 805 B14R1.1586 CCC(C)COCC1CCCCCC1 7a_100000699130_100000748023 [0,0,0,1,0,0|2,0,0]=3 806 B14R1.1586 CCC(C)CSCC1CCCCCC1 62a_100000748023_200000696569 [0,0,0,1,0,0|2,1,0]=4 807 B14R1.1586 CCC(C)CSCC1CCCCCC1 62a_200000696569_100000748023 [0,0,0,1,0,0|2,1,0]=4 808 B14R1.1586 CCC(O)CNCC1CCCCCC1 2230a_100011218483_200000696569 [0,0,0,1,0,0|2,0,0]=3 809 B14R1.1586 CCC(O)CNCC1CCCCCC1 2230a_100015204231_100011218378 [0,0,0,1,0,0|2,0,0]=3 810 B14R1.1586 CCC(O)CNCC1CCCCCC1 269862a_100011218483_200000763224 [0,0,0,1,0,0|2,0,0]=3 811 B14R1.1586 CCC(O)CNCC1CCCCCC1 34a_100015204231_100011218378 [0,0,0,1,0,0|2,0,0]=3 812 B14R1.1586 CCC(O)COCC1CCCCCC1 34a_100000699130_100011218378 [0,0,0,1,0,0|1,0,0]=2 813 B14R1.1586 CCC(O)COCC1CCCCCC1 7a_100000699130_100011218378 [0,0,0,1,0,0|1,0,0]=2 814 B14R1.1586 CCC(O)COCC1CNCCOC1 34a_100103147999_100011218378 [0,0,0,1,0,0|3,0,0]=4 815 B14R1.1586 CCC(O)CSCC1CCCCCC1 62a_100011218378_200000696569 [0,0,0,1,0,0|1,1,0]=3 816 B14R1.1586 CCC(O)CSCC1CCCCCC1 62a_200000696569_100011218378 [0,0,0,1,0,0|1,1,0]=3 817 B14R1.1586 CC[C@H](C)CNCC1CCCCCC1 2230a_100015204231_100009816398 [0,0,0,1,0,0|3,0,0]=4 818 B14R1.1586 CC[C@H](C)CNCC1CCCCCC1 34a_100015204231_100009816398 [0,0,0,1,0,0|3,0,0]=4 819 B14R1.1586 CC[C@H](C)COCC1CCCCCC1 34a_100000699130_100009816398 [0,0,0,1,0,0|2,0,0]=3 820 B14R1.1586 CC[C@H](C)COCC1CCCCCC1 7a_100000699130_100009816398 [0,0,0,1,0,0|2,0,0]=3 821 B14R1.1586 CC[C@H](C)COCC1CCCCCC1 7a_100009816381_200000696569 [0,0,0,1,0,0|2,0,0]=3 822 B14R1.1586 CC[C@H](C)CSCC1CCCCCC1 62a_100009816398_200000696569 [0,0,0,1,0,0|2,1,0]=4 823 B14R1.1586 CC[C@H](C)CSCC1CCCCCC1 62a_200000696569_100009816398 [0,0,0,1,0,0|2,1,0]=4 824 B14R1.1586 COC(C)COCC1CCCCCC1 34a_100000690652_200000696569 [0,0,0,1,0,0|3,0,0]=4 825 B14R1.1586 C[C@@H](CO)CNCC1CCCCCC1 2230a_100015204231_100000059175 [0,0,0,1,0,0|2,0,0]=3 826 B14R1.1586 C[C@@H](CO)CNCC1CCCCCC1 34a_100015204231_100000059175 [0,0,0,1,0,0|2,0,0]=3 827 B14R1.1586 C[C@@H](CO)COCC1CCCCCC1 34a_100000699130_100000059175 [0,0,0,1,0,0|1,0,0]=2 828 B14R1.1586 C[C@@H](CO)COCC1CCCCCC1 7a_100000699130_100000059175 [0,0,0,1,0,0|1,0,0]=2 829 B14R1.1586 C[C@@H](CO)COCC1CNCCOC1 34a_100103147999_100000059175 [0,0,0,1,0,0|3,0,0]=4 830 B14R1.1586 C[C@@H](CO)CSCC1CCCCCC1 62a_100000059175_200000696569 [0,0,0,1,0,0|1,1,0]=3 831 B14R1.1586 C[C@@H](CO)CSCC1CCCCCC1 62a_200000696569_100000059175 [0,0,0,1,0,0|1,1,0]=3 832 B14R1.1586 ClCC(Cl)COCC1CCCCCC1 34a_100000033668_200000696569 [0,0,0,1,0,0|2,0,0]=3 833 B14R1.1586 NC[C@@H](F)COCC1CCCCCC1 34a_100015665980_200000696569 [0,0,0,1,0,0|2,0,0]=3 834 B14R1.1586 OCC(O)CNCC1CCCCCC1 2230a_100015204231_100011219619 [0,0,0,1,0,0|1,0,0]=2 835 B14R1.1586 OCC(O)CNCC1CCCCCC1 34a_100015204231_100011219619 [0,0,0,1,0,0|1,0,0]=2 836 B14R1.1586 OCC(O)COCC1CCCCCC1 34a_100000699130_100011219619 [0,0,0,1,0,0|0,0,0]=1 837 B14R1.1586 OCC(O)COCC1CCCCCC1 7a_100000699130_100011219619 [0,0,0,1,0,0|0,0,0]=1 838 B14R1.1586 OCC(O)COCC1CNCCOC1 34a_100103147999_100011219619 [0,0,0,1,0,0|2,0,0]=3 839 B14R1.1586 OCC(O)CSCC1CCCCCC1 62a_100011219619_200000696569 [0,0,0,1,0,0|0,1,0]=2 840 B14R1.1586 OCC(O)CSCC1CCCCCC1 62a_200000696569_100011219619 [0,0,0,1,0,0|0,1,0]=2 841 B14R1.1586 OC[C@@H](O)CNCC1CCCCCC1 2230a_100020644852_200000696569 [0,0,0,1,0,0|1,0,0]=2 842 B14R1.1586 OC[C@@H](O)CNCC1CCCCCC1 269862a_100020644852_200000763224 [0,0,0,1,0,0|1,0,0]=2 843 B14R1.1586 OC[C@H](F)CNCC1CCCCCC1 269862a_100015665980_200000763224 [0,0,0,1,0,0|2,0,0]=3 844 B14R1.1586 OC[C@H](F)CNCC1CCCCCC1 34a_100015665980_200000696569 [0,0,0,1,0,0|2,0,0]=3 845 B14R1.1586 OC[C@H](O)CNCC1CCCCCC1 2230a_100015204231_100009815848 [0,0,0,1,0,0|1,0,0]=2 846 B14R1.1586 OC[C@H](O)CNCC1CCCCCC1 34a_100015204231_100009815848 [0,0,0,1,0,0|1,0,0]=2 847 B14R1.1586 OC[C@H](O)COCC1CCCCCC1 34a_100000699130_100009815848 [0,0,0,1,0,0|0,0,0]=1 848 B14R1.1586 OC[C@H](O)COCC1CCCCCC1 7a_100000699130_100009815848 [0,0,0,1,0,0|0,0,0]=1 849 B14R1.1586 OC[C@H](O)COCC1CNCCOC1 34a_100103147999_100009815848 [0,0,0,1,0,0|2,0,0]=3 850 B14R1.1586 OC[C@H](O)CSCC1CCCCCC1 62a_100009815848_200000696569 [0,0,0,1,0,0|0,1,0]=2 851 B14R1.1586 OC[C@H](O)CSCC1CCCCCC1 62a_200000696569_100009815848 [0,0,0,1,0,0|0,1,0]=2 852 B14R1.1586 O[C@@H](CF)CNCC1CCCCCC1 2230a_100015204231_100015614560 [0,0,0,1,0,0|2,0,0]=3 853 B14R1.1586 O[C@@H](CF)CNCC1CCCCCC1 34a_100015204231_100015614560 [0,0,0,1,0,0|2,0,0]=3 854 B14R1.1586 O[C@@H](CF)COCC1CCCCCC1 34a_100000699130_100015614560 [0,0,0,1,0,0|1,0,0]=2 855 B14R1.1586 O[C@@H](CF)COCC1CCCCCC1 7a_100000699130_100015614560 [0,0,0,1,0,0|1,0,0]=2 856 B14R1.1586 O[C@@H](CF)COCC1CNCCOC1 34a_100103147999_100015614560 [0,0,0,1,0,0|3,0,0]=4 857 B14R1.1586 O[C@@H](CF)CSCC1CCCCCC1 62a_100015614560_200000696569 [0,0,0,1,0,0|1,1,0]=3 858 B14R1.1586 O[C@@H](CF)CSCC1CCCCCC1 62a_200000696569_100015614560 [0,0,0,1,0,0|1,1,0]=3 859 B14R1.1732 OCC(O)CN1CCOCC(C1)CO 2230a_100103147999_100011219619 [0,0,0,1,0,0|3,0,0]=4 860 B14R1.1732 OCC(O)CN1CCOCC(C1)CO 34a_100103147999_100011219619 [0,0,0,1,0,0|3,0,0]=4 861 B14R1.1732 OCC1COCCN(C1)C[C@@H](O)CO 2230a_100103147999_100009815848 [0,0,0,1,0,0|3,0,0]=4 862 B14R1.1732 OCC1COCCN(C1)C[C@@H](O)CO 34a_100103147999_100009815848 [0,0,0,1,0,0|3,0,0]=4 863 B14R1.3114 CCCCC(CC)COC1CCC1=O 34a_100000210273_100009892977 [0,0,0,1,0,0|1,0,2]=4 864 B14R1.3114 CCCCC(CC)COC1CCC1=O 7a_100000210273_100009892977 [0,0,0,1,0,0|1,0,2]=4 865 B14R1.3115 CCCCC(CC)N1CCC(C1)CO 269982a_100000748654_200011216223 [0,0,0,1,0,0|3,0,0]=4 866 B14R1.3115 CCCCC(CC)N1CCC(C1)CO 270004a_100000748654_100000753412 [0,0,0,1,0,0|3,0,0]=4 867 B14R1.3115 CCCCC(CC)N1CCC(C1)CO 34a_100000748654_200011216223 [0,0,0,1,0,0|3,0,0]=4 868 B14R1.3119 CCC/C=C(\CC)/COCC1CCO1 34a_200015372368_100000103362 [0,0,0,1,0,0|1,0,2]=4 869 B14R1.3119 CCC/C=C(\CC)/COCC1CCO1 7a_200015372368_100000103362 [0,0,0,1,0,0|1,0,2]=4 870 B14R1.3119 CCC/C=C(\CC)/COCC1COC1 34a_200015372368_100010264016 [0,0,0,1,0,0|1,0,2]=4 871 B14R1.3119 CCC/C=C(\CC)/COCC1COC1 7a_200015372368_100010264016 [0,0,0,1,0,0|1,0,2]=4 872 B14R1.3119 CCCCC(CC)CNCC1CCC1 2230a_100000209976_100000763275 [0,0,0,1,0,0|3,0,0]=4 873 B14R1.3119 CCCCC(CC)CNCC1CCC1 2230a_100000738700_100000211942 [0,0,0,1,0,0|3,0,0]=4 874 B14R1.3119 CCCCC(CC)CNCC1CCC1 269862a_100000209976_100000753134 [0,0,0,1,0,0|3,0,0]=4 875 B14R1.3119 CCCCC(CC)CNCC1CCC1 269862a_100000738700_100011219736 [0,0,0,1,0,0|3,0,0]=4 876 B14R1.3119 CCCCC(CC)CNCC1CCC1 270004a_100000738700_100011219736 [0,0,0,1,0,0|3,0,0]=4 877 B14R1.3119 CCCCC(CC)CNCC1CCC1 34a_100000738700_100000211942 [0,0,0,1,0,0|3,0,0]=4 878 B14R1.3119 CCCCC(CC)CNCC1CCO1 2230a_100000209976_100000103362 [0,0,0,1,0,0|2,0,0]=3 879 B14R1.3119 CCCCC(CC)CNCC1COC1 2230a_100000209976_100010264016 [0,0,0,1,0,0|2,0,0]=3 880 B14R1.3119 CCCCC(CC)CNCC1COC1 2230a_100015281925_100000211942 [0,0,0,1,0,0|2,0,0]=3 881 B14R1.3119 CCCCC(CC)CNCC1COC1 269862a_100015281925_100011219736 [0,0,0,1,0,0|2,0,0]=3 882 B14R1.3119 CCCCC(CC)CNCC1COC1 270004a_100015281925_100011219736 [0,0,0,1,0,0|2,0,0]=3 883 B14R1.3119 CCCCC(CC)CNCC1COC1 34a_100015281925_100000211942 [0,0,0,1,0,0|2,0,0]=3 884 B14R1.3119 CCCCC(CC)CNC[C@@H]1CCO1 2230a_100020831831_100000211942 [0,0,0,1,0,0|2,0,0]=3 885 B14R1.3119 CCCCC(CC)CNC[C@@H]1CCO1 269862a_100020831831_100011219736 [0,0,0,1,0,0|2,0,0]=3 886 B14R1.3119 CCCCC(CC)CNC[C@@H]1CCO1 270004a_100020831831_100011219736 [0,0,0,1,0,0|2,0,0]=3 887 B14R1.3119 CCCCC(CC)CNC[C@@H]1CCO1 34a_100020831831_100000211942 [0,0,0,1,0,0|2,0,0]=3 888 B14R1.3119 CCCCC(CC)COCC1CCC1 34a_100000210273_100000763275 [0,0,0,1,0,0|2,0,0]=3 889 B14R1.3119 CCCCC(CC)COCC1CCC1 34a_100000760304_100000211942 [0,0,0,1,0,0|2,0,0]=3 890 B14R1.3119 CCCCC(CC)COCC1CCC1 7a_100000210273_100000763275 [0,0,0,1,0,0|2,0,0]=3 891 B14R1.3119 CCCCC(CC)COCC1CCO1 34a_100000039022_100000211942 [0,0,0,1,0,0|1,0,0]=2 892 B14R1.3119 CCCCC(CC)COCC1CCO1 34a_100000210273_100000103362 [0,0,0,1,0,0|1,0,0]=2 893 B14R1.3119 CCCCC(CC)COCC1CCO1 7a_100000210273_100000103362 [0,0,0,1,0,0|1,0,0]=2 894 B14R1.3119 CCCCC(CC)COCC1CNC1 34a_100016987283_100000211942 [0,0,0,1,0,0|2,0,0]=3 895 B14R1.3119 CCCCC(CC)COCC1COC1 34a_100000060846_100000211942 [0,0,0,1,0,0|1,0,0]=2 896 B14R1.3119 CCCCC(CC)COCC1COC1 34a_100000210273_100010264016 [0,0,0,1,0,0|1,0,0]=2 897 B14R1.3119 CCCCC(CC)COCC1COC1 7a_100000210273_100010264016 [0,0,0,1,0,0|1,0,0]=2 898 B14R1.3119 CCCCC(CC)CSCC1CCC1 62a_100000211942_100000763275 [0,0,0,1,0,0|2,1,0]=4 899 B14R1.3119 CCCCC(CC)CSCC1CCC1 62a_100000763275_100000211942 [0,0,0,1,0,0|2,1,0]=4 900 B14R1.3119 CCCCC(CC)CSCC1CCO1 62a_100000103362_100000211942 [0,0,0,1,0,0|1,1,0]=3 901 B14R1.3119 CCCCC(CC)CSCC1CCO1 62a_100000211942_100000103362 [0,0,0,1,0,0|1,1,0]=3 902 B14R1.3119 CCCCC(CC)CSCC1COC1 62a_100000211942_100010264016 [0,0,0,1,0,0|1,1,0]=3 903 B14R1.3119 CCCCC(CC)CSCC1COC1 62a_100010264016_100000211942 [0,0,0,1,0,0|1,1,0]=3 904 B14R1.3119 CCCCC(CC)OCCC1COC1 34a_100009855314_200011216223 [0,0,0,1,0,0|3,0,0]=4 905 B14R1.3427 C=CC(O)COC[C@H]1CC[C@H](C1)CN 34a_206354213956_100000730141 [0,0,0,1,0,0|2,0,1]=4 906 B14R1.3427 CCC(C)COC[C@H]1CC[C@H](C1)CN 34a_206354213956_100000748023 [0,0,0,1,0,0|3,0,0]=4 907 B14R1.3427 CCC(O)CNCC1CCN(C1)CC 2230a_100011218483_100015184589 [0,0,0,1,0,0|3,0,0]=4 908 B14R1.3427 CCC(O)CNCC1CCN(C1)CC 2230a_100011224064_100011218378 [0,0,0,1,0,0|3,0,0]=4 909 B14R1.3427 CCC(O)CNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100011218378 [0,0,0,1,0,0|3,0,0]=4 910 B14R1.3427 CCC(O)COC[C@H]1CC[C@H](C1)CN 34a_206354213956_100011218378 [0,0,0,1,0,0|2,0,0]=3 911 B14R1.3427 CCC(O)CSCC1CCN(C1)CC 62a_100011218378_100015184589 [0,0,0,1,0,0|2,1,0]=4 912 B14R1.3427 CCC(O)CSCC1CCN(C1)CC 62a_100015184589_100011218378 [0,0,0,1,0,0|2,1,0]=4 913 B14R1.3427 CCC1CCC(C1)NCCC(C)CO 270004a_106354213184_100011218773 [0,0,0,1,0,0|3,0,0]=4 914 B14R1.3427 CCN1CCC(C1)CNCC(O)CO 2230a_100011224064_100011219619 [0,0,0,1,0,0|2,0,0]=3 915 B14R1.3427 CCN1CCC(C1)CNC[C@@H](C)CO 2230a_100011224064_100000059175 [0,0,0,1,0,0|3,0,0]=4 916 B14R1.3427 CCN1CCC(C1)CNC[C@@H](O)CF 2230a_100011224064_100015614560 [0,0,0,1,0,0|3,0,0]=4 917 B14R1.3427 CCN1CCC(C1)CNC[C@@H](O)CO 2230a_100011224064_100009815848 [0,0,0,1,0,0|2,0,0]=3 918 B14R1.3427 CCN1CCC(C1)CNC[C@H](O)CO 2230a_100020644852_100015184589 [0,0,0,1,0,0|2,0,0]=3 919 B14R1.3427 CCN1CCC(C1)CSCC(O)CO 62a_100011219619_100015184589 [0,0,0,1,0,0|1,1,0]=3 920 B14R1.3427 CCN1CCC(C1)CSCC(O)CO 62a_100015184589_100011219619 [0,0,0,1,0,0|1,1,0]=3 921 B14R1.3427 CCN1CCC(C1)CSC[C@@H](C)CO 62a_100000059175_100015184589 [0,0,0,1,0,0|2,1,0]=4 922 B14R1.3427 CCN1CCC(C1)CSC[C@@H](C)CO 62a_100015184589_100000059175 [0,0,0,1,0,0|2,1,0]=4 923 B14R1.3427 CCN1CCC(C1)CSC[C@@H](O)CF 62a_100015184589_100015614560 [0,0,0,1,0,0|2,1,0]=4 924 B14R1.3427 CCN1CCC(C1)CSC[C@@H](O)CF 62a_100015614560_100015184589 [0,0,0,1,0,0|2,1,0]=4 925 B14R1.3427 CCN1CCC(C1)CSC[C@@H](O)CO 62a_100009815848_100015184589 [0,0,0,1,0,0|1,1,0]=3 926 B14R1.3427 CCN1CCC(C1)CSC[C@@H](O)CO 62a_100015184589_100009815848 [0,0,0,1,0,0|1,1,0]=3 927 B14R1.3427 CC[C@H](C)COCC1CCN(C1)CC 7a_100009816381_100015184589 [0,0,0,1,0,0|3,0,0]=4 928 B14R1.3427 CC[C@H](C)COC[C@H]1CC[C@H](C1)CN 34a_206354213956_100009816398 [0,0,0,1,0,0|3,0,0]=4 929 B14R1.3427 C[C@@H](CO)CNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100000059175 [0,0,0,1,0,0|3,0,0]=4 930 B14R1.3427 C[C@@H](CO)COC[C@H]1CC[C@H](C1)CN 34a_206354213956_100000059175 [0,0,0,1,0,0|2,0,0]=3 931 B14R1.3427 NC[C@@H]1CC[C@@H](C1)COCC(O)CO 34a_206354213956_100011219619 [0,0,0,1,0,0|1,0,0]=2 932 B14R1.3427 NC[C@@H]1CC[C@@H](C1)COC[C@@H](O)CF 34a_206354213956_100015614560 [0,0,0,1,0,0|2,0,0]=3 933 B14R1.3427 NC[C@@H]1CC[C@@H](C1)COC[C@@H](O)CO 34a_206354213956_100009815848 [0,0,0,1,0,0|1,0,0]=2 934 B14R1.3427 OCC(O)CNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100011219619 [0,0,0,1,0,0|2,0,0]=3 935 B14R1.3427 OC[C@H](O)CNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100009815848 [0,0,0,1,0,0|2,0,0]=3 936 B14R1.3427 OC[C@H]1CC[C@H](C1)CNC[C@@H](O)CF 34a_206354213956_100015614560 [0,0,0,1,0,0|3,0,0]=4 937 B14R1.3724 C=CC(O)CN1CC(CCC1C)CC 2230a_100011219223_100000730141 [0,0,0,1,0,0|2,0,1]=4 938 B14R1.3724 C=CC(O)CN1CC(CCC1C)CC 34a_100011219223_100000730141 [0,0,0,1,0,0|2,0,1]=4 939 B14R1.3724 CCC(C)CN1CC(CCC1C)CC 2230a_100011219223_100000748023 [0,0,0,1,0,0|3,0,0]=4 940 B14R1.3724 CCC(C)CN1CC(CCC1C)CC 269982a_100011219223_100000748023 [0,0,0,1,0,0|3,0,0]=4 941 B14R1.3724 CCC(C)CN1CC(CCC1C)CC 270004a_100011219223_100000243153 [0,0,0,1,0,0|3,0,0]=4 942 B14R1.3724 CCC(C)CN1CC(CCC1C)CC 34a_100011219223_100000748023 [0,0,0,1,0,0|3,0,0]=4 943 B14R1.3724 CCC(O)CN1CC(CCC1C)CC 2230a_100011219223_100011218378 [0,0,0,1,0,0|2,0,0]=3 944 B14R1.3724 CCC(O)CN1CC(CCC1C)CC 269982a_100011219223_100011218378 [0,0,0,1,0,0|2,0,0]=3 945 B14R1.3724 CCC(O)CN1CC(CCC1C)CC 34a_100011219223_100011218378 [0,0,0,1,0,0|2,0,0]=3 946 B14R1.3724 CCC1CCC(N(C1)CC(O)CO)C 2230a_100011219223_100011219619 [0,0,0,1,0,0|1,0,0]=2 947 B14R1.3724 CCC1CCC(N(C1)CC(O)CO)C 34a_100011219223_100011219619 [0,0,0,1,0,0|1,0,0]=2 948 B14R1.3724 CCC1CCC(N(C1)C[C@@H](C)CC)C 2230a_100011219223_100009816398 [0,0,0,1,0,0|3,0,0]=4 949 B14R1.3724 CCC1CCC(N(C1)C[C@@H](C)CC)C 269982a_100011219223_100009816398 [0,0,0,1,0,0|3,0,0]=4 950 B14R1.3724 CCC1CCC(N(C1)C[C@@H](C)CC)C 34a_100011219223_100009816398 [0,0,0,1,0,0|3,0,0]=4 951 B14R1.3724 CCC1CCC(N(C1)C[C@@H](C)CO)C 2230a_100011219223_100000059175 [0,0,0,1,0,0|2,0,0]=3 952 B14R1.3724 CCC1CCC(N(C1)C[C@@H](C)CO)C 269982a_100011219223_100000059175 [0,0,0,1,0,0|2,0,0]=3 953 B14R1.3724 CCC1CCC(N(C1)C[C@@H](C)CO)C 34a_100011219223_100000059175 [0,0,0,1,0,0|2,0,0]=3 954 B14R1.3724 CCC1CCC(N(C1)C[C@@H](O)CF)C 2230a_100011219223_100015614560 [0,0,0,1,0,0|2,0,0]=3 955 B14R1.3724 CCC1CCC(N(C1)C[C@@H](O)CF)C 34a_100011219223_100015614560 [0,0,0,1,0,0|2,0,0]=3 956 B14R1.3724 CCC1CCC(N(C1)C[C@@H](O)CO)C 2230a_100011219223_100009815848 [0,0,0,1,0,0|1,0,0]=2 957 B14R1.3724 CCC1CCC(N(C1)C[C@@H](O)CO)C 34a_100011219223_100009815848 [0,0,0,1,0,0|1,0,0]=2 958 B14R1.9619 CCCCC(CC)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000211942 [0,0,0,1,0,0|2,0,0]=3 959 B14R1.9619 CCCCC(CC)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000211942 [0,0,0,1,0,0|2,0,0]=3 960 B14R1.9619 CCCCC(CC)CN1C[C@@H]([C@@H]1C)O 270004a_206633788156_100011219736 [0,0,0,1,0,0|2,0,0]=3 961 B14R1.9621 CCCCC(CC)CN1CC(C1)CC 2230a_100015205115_100000211942 [0,0,0,1,0,0|3,0,0]=4 962 B14R1.9621 CCCCC(CC)CN1CC(C1)CC 269982a_100015205115_100000211942 [0,0,0,1,0,0|3,0,0]=4 963 B14R1.9621 CCCCC(CC)CN1CC(C1)CC 270004a_100015205115_100011219736 [0,0,0,1,0,0|3,0,0]=4 964 B14R1.9621 CCCCC(CC)CN1CC(C1)CF 269982a_100010363649_100000211942 [0,0,0,1,0,0|3,0,0]=4 965 B14R1.9621 CCCCC(CC)CN1CC(C1)CF 34a_100010363649_100000211942 [0,0,0,1,0,0|3,0,0]=4 966 B14R1.9621 CCCCC(CC)CN1CC(C1)CO 269982a_100016987283_100000211942 [0,0,0,1,0,0|2,0,0]=3 967 B14R1.9621 CCCCC(CC)CN1CC(C1)CO 34a_100016987283_100000211942 [0,0,0,1,0,0|2,0,0]=3 968 B14R1.9621 CCCCC(CC)NC1CC(C1)CO 270004a_100000095622_100000753412 [0,0,0,1,0,0|3,0,0]=4 969 B14R1.9621 CCCCC(CC)SC1CC(C1)CO 62a_100009874164_200011216223 [0,0,0,1,0,0|3,0,0]=4 970 B14R1.9621 CCCCC(CC)SC1CC(C1)CO 62a_200011216223_100009874164 [0,0,0,1,0,0|3,0,0]=4 971 B14R1.10342 CCCCC(CC)COCC1CC1C 34a_100000744939_100000211942 [0,0,0,1,0,0|2,0,0]=3 972 B14R1.10342 CCCCC(CC)COCC1CC1C 7a_100000744939_100000211942 [0,0,0,1,0,0|2,0,0]=3 973 B14R1.10360 CCC/C=C(\CC)/COCC1(CO1)C 34a_200015372368_100000760498 [0,0,0,1,0,0|1,0,2]=4 974 B14R1.10360 CCCCC(CC)CNCC1(CC1)C 2230a_100000766693_100000211942 [0,0,0,1,0,0|3,0,0]=4 975 B14R1.10360 CCCCC(CC)CNCC1(CC1)C 269862a_100000766693_100011219736 [0,0,0,1,0,0|3,0,0]=4 976 B14R1.10360 CCCCC(CC)CNCC1(CC1)C 270004a_100000766693_100011219736 [0,0,0,1,0,0|3,0,0]=4 977 B14R1.10360 CCCCC(CC)CNCC1(CC1)O 2230a_100011936951_100000211942 [0,0,0,1,0,0|2,0,0]=3 978 B14R1.10360 CCCCC(CC)CNCC1(CC1)O 269862a_100011936951_100011219736 [0,0,0,1,0,0|2,0,0]=3 979 B14R1.10360 CCCCC(CC)CNCC1(CC1)O 270004a_100011936951_100011219736 [0,0,0,1,0,0|2,0,0]=3 980 B14R1.10360 CCCCC(CC)COCC1(CC1)C 7a_100000698024_100000211942 [0,0,0,1,0,0|2,0,0]=3 981 B14R1.10360 CCCCC(CC)COCC1(CC1)F 34a_200000703853_100000211942 [0,0,0,1,0,0|2,0,0]=3 982 B14R1.10360 CCCCC(CC)COCC1(CC1)F 7a_200000703853_100000211942 [0,0,0,1,0,0|2,0,0]=3 983 B14R1.10360 CCCCC(CC)COCC1(CO1)C 34a_100000210273_100000760498 [0,0,0,1,0,0|1,0,0]=2 984 B14R1.10360 CCCCC(CC)CSCC1(CO1)C 62a_100000211942_100000760498 [0,0,0,1,0,0|1,1,0]=3 985 B14R1.10360 CCCCC(CC)CSCC1(CO1)C 62a_100000760498_100000211942 [0,0,0,1,0,0|1,1,0]=3 986 B14R1.19347 CCCCN1CCCC(CC1)(O)CO 2230a_200015185645_100000210211 [0,0,0,1,0,0|2,0,0]=3 987 B14R1.19347 CCCCN1CCCC(CC1)(O)CO 269982a_200015185645_100000210211 [0,0,0,1,0,0|2,0,0]=3 988 B14R1.19347 CCOCN1CCCC(CC1)(O)CO 269982a_200015185645_100000739092 [0,0,0,1,0,0|3,0,0]=4 989 B14R1.19347 COCCN1CCCC(CC1)(O)CO 2230a_200015185645_100011201679 [0,0,0,1,0,0|3,0,0]=4 990 B14R1.19347 COCCN1CCCC(CC1)(O)CO 269982a_200015185645_100000233755 [0,0,0,1,0,0|3,0,0]=4 991 B14R1.19347 CSCCN1CCCC(CC1)(O)CO 2230a_200015185645_100000751147 [0,0,0,1,0,0|3,0,0]=4 992 B14R1.19347 CSCCN1CCCC(CC1)(O)CO 269982a_200015185645_100000212216 [0,0,0,1,0,0|3,0,0]=4 993 B14R1.19347 OCC1(CCCN(CC1)CCCF)O 2230a_200015185645_100011934791 [0,0,0,1,0,0|3,0,0]=4 994 B14R1.19347 OCC1(CCCN(CC1)CCCF)O 269982a_200015185645_100011934791 [0,0,0,1,0,0|3,0,0]=4 995 B14R1.19347 OCCCN1CCCC(CC1)(O)CO 2230a_200015185645_100000230001 [0,0,0,1,0,0|3,0,0]=4 996 B14R1.19347 OCCCN1CCCC(CC1)(O)CO 269982a_200015185645_100011215043 [0,0,0,1,0,0|3,0,0]=4 997 B14R1.21063 C=CC(O)COCC1(CCCC1)CN 34a_100000699429_100000730141 [0,0,0,1,0,0|2,0,1]=4 998 B14R1.21063 CCC(C)COCC1(CCCC1)CN 34a_100000699429_100000748023 [0,0,0,1,0,0|3,0,0]=4 999 B14R1.21063 CCC(O)CNCC1(CCCC1)CO 2230a_100000699429_100011218378 [0,0,0,1,0,0|3,0,0]=4 1000 B14R1.21063 CCC(O)CNCC1(CCCC1)CO 34a_100000699429_100011218378 [0,0,0,1,0,0|3,0,0]=4 1001 B14R1.21063 CCC(O)COCC1(CCCC1)CN 34a_100000699429_100011218378 [0,0,0,1,0,0|2,0,0]=3 1002 B14R1.21063 CC[C@H](C)COCC1(CCCC1)CN 34a_100000699429_100009816398 [0,0,0,1,0,0|3,0,0]=4 1003 B14R1.21063 C[C@@H](CO)CNCC1(CCCC1)CO 2230a_100000699429_100000059175 [0,0,0,1,0,0|3,0,0]=4 1004 B14R1.21063 C[C@@H](CO)CNCC1(CCCC1)CO 34a_100000699429_100000059175 [0,0,0,1,0,0|3,0,0]=4 1005 B14R1.21063 C[C@@H](CO)COCC1(CCCC1)CN 34a_100000699429_100000059175 [0,0,0,1,0,0|2,0,0]=3 1006 B14R1.21063 NCC1(CCCC1)COCC(O)CO 34a_100000699429_100011219619 [0,0,0,1,0,0|1,0,0]=2 1007 B14R1.21063 NCC1(CCCC1)COC[C@@H](O)CF 34a_100000699429_100015614560 [0,0,0,1,0,0|2,0,0]=3 1008 B14R1.21063 NCC1(CCCC1)COC[C@@H](O)CO 34a_100000699429_100009815848 [0,0,0,1,0,0|1,0,0]=2 1009 B14R1.21063 OCC(O)CNCC1(CCCC1)CO 2230a_100000699429_100011219619 [0,0,0,1,0,0|2,0,0]=3 1010 B14R1.21063 OCC(O)CNCC1(CCCC1)CO 34a_100000699429_100011219619 [0,0,0,1,0,0|2,0,0]=3 1011 B14R1.21063 OCC1(CCCC1)CNC[C@@H](O)CF 2230a_100000699429_100015614560 [0,0,0,1,0,0|3,0,0]=4 1012 B14R1.21063 OCC1(CCCC1)CNC[C@@H](O)CF 34a_100000699429_100015614560 [0,0,0,1,0,0|3,0,0]=4 1013 B14R1.21063 OC[C@H](O)CNCC1(CCCC1)CO 2230a_100000699429_100009815848 [0,0,0,1,0,0|2,0,0]=3 1014 B14R1.21063 OC[C@H](O)CNCC1(CCCC1)CO 34a_100000699429_100009815848 [0,0,0,1,0,0|2,0,0]=3 1015 B12R0.216 C#CC(C)OCC(CC)CCCC 34a_100000210273_200000035995 [0,0,0,0,1,0|2,0,1]=4 1016 B12R0.216 C#CC(CCCC)OCC(O)CC 34a_200011217967_100011218378 [0,0,0,0,1,0|1,0,2]=4 1017 B12R0.216 C#CC(CCCC)OCC(O)CC 7a_200011217967_100011218378 [0,0,0,0,1,0|1,0,2]=4 1018 B12R0.216 C#CC(CCCC)OCC(O)CO 34a_200011217967_100011219619 [0,0,0,0,1,0|0,0,2]=3 1019 B12R0.216 C#CC(CCCC)OCC(O)CO 7a_200011217967_100011219619 [0,0,0,0,1,0|0,0,2]=3 1020 B12R0.216 C#CC(CCCC)OC[C@@H](C)CO 34a_200011217967_100000059175 [0,0,0,0,1,0|1,0,2]=4 1021 B12R0.216 C#CC(CCCC)OC[C@@H](C)CO 7a_200011217967_100000059175 [0,0,0,0,1,0|1,0,2]=4 1022 B12R0.216 C#CC(CCCC)OC[C@@H](O)CF 34a_200011217967_100015614560 [0,0,0,0,1,0|1,0,2]=4 1023 B12R0.216 C#CC(CCCC)OC[C@@H](O)CF 7a_200011217967_100015614560 [0,0,0,0,1,0|1,0,2]=4 1024 B12R0.216 C#CC(CCCC)OC[C@@H](O)CO 34a_200011217967_100009815848 [0,0,0,0,1,0|0,0,2]=3 1025 B12R0.216 C#CC(CCCC)OC[C@@H](O)CO 7a_200011217967_100009815848 [0,0,0,0,1,0|0,0,2]=3 1026 B12R0.216 C#C[C@@H](C)OCC(CC)CCCC 34a_100009815206_100000211942 [0,0,0,0,1,0|2,0,1]=4 1027 B12R0.216 C#C[C@@H](C)OCC(CC)CCCC 7a_100009815206_100000211942 [0,0,0,0,1,0|2,0,1]=4 1028 B12R0.216 C=CC(C)COC(CC)CCCC 34a_100011215527_200011216223 [0,0,0,0,1,0|2,0,1]=4 1029 B12R0.216 C=CC(C)COC(CC)CCCC 7a_100011215527_200011216223 [0,0,0,0,1,0|2,0,1]=4 1030 B12R0.216 C=CC(C)OCC(CC)CCCC 34a_100000695699_100000211942 [0,0,0,0,1,0|2,0,1]=4 1031 B12R0.216 C=CC(CCCC)OCC(O)CC 34a_200011215037_100011218378 [0,0,0,0,1,0|1,0,2]=4 1032 B12R0.216 C=CC(CCCC)OCC(O)CC 7a_200011215037_100011218378 [0,0,0,0,1,0|1,0,2]=4 1033 B12R0.216 C=CC(CCCC)OCC(O)CO 34a_200011215037_100011219619 [0,0,0,0,1,0|0,0,2]=3 1034 B12R0.216 C=CC(CCCC)OCC(O)CO 7a_200011215037_100011219619 [0,0,0,0,1,0|0,0,2]=3 1035 B12R0.216 C=CC(CCCC)OC[C@@H](C)CO 34a_200011215037_100000059175 [0,0,0,0,1,0|1,0,2]=4 1036 B12R0.216 C=CC(CCCC)OC[C@@H](C)CO 7a_200011215037_100000059175 [0,0,0,0,1,0|1,0,2]=4 1037 B12R0.216 C=CC(CCCC)OC[C@@H](O)CF 34a_200011215037_100015614560 [0,0,0,0,1,0|1,0,2]=4 1038 B12R0.216 C=CC(CCCC)OC[C@@H](O)CF 7a_200011215037_100015614560 [0,0,0,0,1,0|1,0,2]=4 1039 B12R0.216 C=CC(CCCC)OC[C@@H](O)CO 34a_200011215037_100009815848 [0,0,0,0,1,0|0,0,2]=3 1040 B12R0.216 C=CC(CCCC)OC[C@@H](O)CO 7a_200011215037_100009815848 [0,0,0,0,1,0|0,0,2]=3 1041 B12R0.216 C=CC(O)COC(CC)CCCC 34a_100011215227_100000730141 [0,0,0,0,1,0|1,0,1]=3 1042 B12R0.216 C=CC(O)COC(CC)CCCC 7a_100011215227_100000730141 [0,0,0,0,1,0|1,0,1]=3 1043 B12R0.216 C=CC(O)CSC(CC)CCCC 62a_100000730141_200011216223 [0,0,0,0,1,0|1,1,1]=4 1044 B12R0.216 C=CC(O)CSC(CC)CCCC 62a_200011216223_100000730141 [0,0,0,0,1,0|1,1,1]=4 1045 B12R0.216 C=C[C@H](N)COC(CC)CCCC 34a_100016989147_200011216223 [0,0,0,0,1,0|2,0,1]=4 1046 B12R0.216 CCC/C=C(\CC)/COC(C)CO 34a_200015372368_100012180447 [0,0,0,0,1,0|1,0,2]=4 1047 B12R0.216 CCC/C=C(\CC)/COC(C)CO 7a_200015372368_100012180447 [0,0,0,0,1,0|1,0,2]=4 1048 B12R0.216 CCCCC(CC)CCC(=O)CC 1458a_100011216959_100000210202 [0,0,0,0,1,0|1,0,2]=4 1049 B12R0.216 CCCCC(CC)CCC(=O)CF 1458a_100011216959_100015361967 [0,0,0,0,1,0|1,0,2]=4 1050 B12R0.216 CCCCC(CC)CNC(=O)CO 240690a_100000209976_100000210174 [0,0,0,0,1,0|1,0,2]=4 1051 B12R0.216 CCCCC(CC)CNC(=O)CO 527a_100000209976_100000210174 [0,0,0,0,1,0|1,0,2]=4 1052 B12R0.216 CCCCC(CC)CNC(C)CC 2230a_100000209976_100000758301 [0,0,0,0,1,0|3,0,0]=4 1053 B12R0.216 CCCCC(CC)CNC(C)CC 2230a_100000209981_100000211942 [0,0,0,0,1,0|3,0,0]=4 1054 B12R0.216 CCCCC(CC)CNC(C)CC 269862a_100000209981_100011219736 [0,0,0,0,1,0|3,0,0]=4 1055 B12R0.216 CCCCC(CC)CNC(C)CC 270004a_100000209981_100011219736 [0,0,0,0,1,0|3,0,0]=4 1056 B12R0.216 CCCCC(CC)CNC(C)CO 2230a_100000209976_100012180447 [0,0,0,0,1,0|2,0,0]=3 1057 B12R0.216 CCCCC(CC)CN[C@H](C)CF 269862a_100102880703_100011219736 [0,0,0,0,1,0|3,0,0]=4 1058 B12R0.216 CCCCC(CC)CN[C@H](C)CF 270004a_100102880703_100011219736 [0,0,0,0,1,0|3,0,0]=4 1059 B12R0.216 CCCCC(CC)CN[C@H](C)CO 2230a_100000737577_100000211942 [0,0,0,0,1,0|2,0,0]=3 1060 B12R0.216 CCCCC(CC)CN[C@H](C)CO 269862a_100000737577_100011219736 [0,0,0,0,1,0|2,0,0]=3 1061 B12R0.216 CCCCC(CC)CN[C@H](C)CO 270004a_100000737577_100011219736 [0,0,0,0,1,0|2,0,0]=3 1062 B12R0.216 CCCCC(CC)COC(C)C#N 34a_100011218135_100000211942 [0,0,0,0,1,0|2,0,1]=4 1063 B12R0.216 CCCCC(CC)COC(C)C#N 7a_100000210273_100000703298 [0,0,0,0,1,0|2,0,1]=4 1064 B12R0.216 CCCCC(CC)COC(C)CC 34a_100000210273_100011215416 [0,0,0,0,1,0|2,0,0]=3 1065 B12R0.216 CCCCC(CC)COC(C)CC 7a_100000210228_100000211942 [0,0,0,0,1,0|2,0,0]=3 1066 B12R0.216 CCCCC(CC)COC(C)CC 7a_100000210273_100000758301 [0,0,0,0,1,0|2,0,0]=3 1067 B12R0.216 CCCCC(CC)COC(C)CF 34a_100016041109_100000211942 [0,0,0,0,1,0|2,0,0]=3 1068 B12R0.216 CCCCC(CC)COC(C)CF 7a_100016041109_100000211942 [0,0,0,0,1,0|2,0,0]=3 1069 B12R0.216 CCCCC(CC)COC(C)CN 34a_100000210904_100000211942 [0,0,0,0,1,0|2,0,0]=3 1070 B12R0.216 CCCCC(CC)COC(C)CO 34a_100000210273_100012180447 [0,0,0,0,1,0|1,0,0]=2 1071 B12R0.216 CCCCC(CC)COC(C)CO 7a_100000210273_100012180447 [0,0,0,0,1,0|1,0,0]=2 1072 B12R0.216 CCCCC(CC)CSC(C)CC 62a_100000211942_100000758301 [0,0,0,0,1,0|2,1,0]=4 1073 B12R0.216 CCCCC(CC)CSC(C)CC 62a_100000758301_100000211942 [0,0,0,0,1,0|2,1,0]=4 1074 B12R0.216 CCCCC(CC)CSC(C)CO 62a_100012180447_100000211942 [0,0,0,0,1,0|1,1,0]=3 1075 B12R0.216 CCCCC(CC)CS[C@H](C)CO 62a_100000211942_100016084084 [0,0,0,0,1,0|1,1,0]=3 1076 B12R0.216 CCCCC(CC)CS[C@H](C)CO 62a_100016084084_100000211942 [0,0,0,0,1,0|1,1,0]=3 1077 B12R0.216 CCCCC(CC)NCC(C)CC 270004a_100020588543_100000753412 [0,0,0,0,1,0|3,0,0]=4 1078 B12R0.216 CCCCC(CC)NCC(C)CO 34a_100000744482_200011216223 [0,0,0,0,1,0|2,0,0]=3 1079 B12R0.216 CCCCC(CC)NCC(O)CC 270004a_100011218483_100000753412 [0,0,0,0,1,0|2,0,0]=3 1080 B12R0.216 CCCCC(CC)NC[C@@H](F)CO 270004a_100015665980_100000753412 [0,0,0,0,1,0|2,0,0]=3 1081 B12R0.216 CCCCC(CC)NC[C@@H](F)CO 34a_100015665980_200011216223 [0,0,0,0,1,0|2,0,0]=3 1082 B12R0.216 CCCCC(CC)OCC(=O)CC 34a_100000725409_200011216223 [0,0,0,0,1,0|1,0,2]=4 1083 B12R0.216 CCCCC(CC)OCC(=O)CC 7a_100011215227_100000747405 [0,0,0,0,1,0|1,0,2]=4 1084 B12R0.216 CCCCC(CC)OCC(C)CC 34a_100011215227_100000748023 [0,0,0,0,1,0|2,0,0]=3 1085 B12R0.216 CCCCC(CC)OCC(C)CC 7a_100011215227_100000748023 [0,0,0,0,1,0|2,0,0]=3 1086 B12R0.216 CCCCC(CC)OCC(C)CN 34a_100000744482_200011216223 [0,0,0,0,1,0|2,0,0]=3 1087 B12R0.216 CCCCC(CC)OCC(C)OC 34a_100000690652_200011216223 [0,0,0,0,1,0|3,0,0]=4 1088 B12R0.216 CCCCC(CC)OCC(Cl)CCl 34a_100000033668_200011216223 [0,0,0,0,1,0|2,0,0]=3 1089 B12R0.216 CCCCC(CC)OCC(O)CC 34a_100011215227_100011218378 [0,0,0,0,1,0|1,0,0]=2 1090 B12R0.216 CCCCC(CC)OCC(O)CC 7a_100011215227_100011218378 [0,0,0,0,1,0|1,0,0]=2 1091 B12R0.216 CCCCC(CC)OCC(O)CO 34a_100011215227_100011219619 [0,0,0,0,1,0|0,0,0]=1 1092 B12R0.216 CCCCC(CC)OCC(O)CO 7a_100011215227_100011219619 [0,0,0,0,1,0|0,0,0]=1 1093 B12R0.216 CCCCC(CC)OC[C@@H](C)CC 34a_100011215227_100009816398 [0,0,0,0,1,0|2,0,0]=3 1094 B12R0.216 CCCCC(CC)OC[C@@H](C)CC 7a_100009816381_200011216223 [0,0,0,0,1,0|2,0,0]=3 1095 B12R0.216 CCCCC(CC)OC[C@@H](C)CC 7a_100011215227_100009816398 [0,0,0,0,1,0|2,0,0]=3 1096 B12R0.216 CCCCC(CC)OC[C@@H](C)CO 34a_100011215227_100000059175 [0,0,0,0,1,0|1,0,0]=2 1097 B12R0.216 CCCCC(CC)OC[C@@H](C)CO 7a_100011215227_100000059175 [0,0,0,0,1,0|1,0,0]=2 1098 B12R0.216 CCCCC(CC)OC[C@@H](O)CF 34a_100011215227_100015614560 [0,0,0,0,1,0|1,0,0]=2 1099 B12R0.216 CCCCC(CC)OC[C@@H](O)CF 7a_100011215227_100015614560 [0,0,0,0,1,0|1,0,0]=2 1100 B12R0.216 CCCCC(CC)OC[C@@H](O)CO 34a_100011215227_100009815848 [0,0,0,0,1,0|0,0,0]=1 1101 B12R0.216 CCCCC(CC)OC[C@@H](O)CO 7a_100011215227_100009815848 [0,0,0,0,1,0|0,0,0]=1 1102 B12R0.216 CCCCC(CC)OC[C@H](F)CN 34a_100015665980_200011216223 [0,0,0,0,1,0|2,0,0]=3 1103 B12R0.216 CCCCC(CC)SCC(C)CC 62a_100000748023_200011216223 [0,0,0,0,1,0|2,1,0]=4 1104 B12R0.216 CCCCC(CC)SCC(C)CC 62a_200011216223_100000748023 [0,0,0,0,1,0|2,1,0]=4 1105 B12R0.216 CCCCC(CC)SCC(O)CC 62a_100011218378_200011216223 [0,0,0,0,1,0|1,1,0]=3 1106 B12R0.216 CCCCC(CC)SCC(O)CC 62a_200011216223_100011218378 [0,0,0,0,1,0|1,1,0]=3 1107 B12R0.216 CCCCC(CC)SCC(O)CO 62a_100011219619_200011216223 [0,0,0,0,1,0|0,1,0]=2 1108 B12R0.216 CCCCC(CC)SCC(O)CO 62a_200011216223_100011219619 [0,0,0,0,1,0|0,1,0]=2 1109 B12R0.216 CCCCC(CC)SC[C@@H](C)CC 62a_100009816398_200011216223 [0,0,0,0,1,0|2,1,0]=4 1110 B12R0.216 CCCCC(CC)SC[C@@H](C)CC 62a_200011216223_100009816398 [0,0,0,0,1,0|2,1,0]=4 1111 B12R0.216 CCCCC(CC)SC[C@@H](C)CO 62a_100000059175_200011216223 [0,0,0,0,1,0|1,1,0]=3 1112 B12R0.216 CCCCC(CC)SC[C@@H](C)CO 62a_200011216223_100000059175 [0,0,0,0,1,0|1,1,0]=3 1113 B12R0.216 CCCCC(CC)SC[C@@H](O)CF 62a_100015614560_200011216223 [0,0,0,0,1,0|1,1,0]=3 1114 B12R0.216 CCCCC(CC)SC[C@@H](O)CF 62a_200011216223_100015614560 [0,0,0,0,1,0|1,1,0]=3 1115 B12R0.216 CCCCC(CC)SC[C@@H](O)CO 62a_100009815848_200011216223 [0,0,0,0,1,0|0,1,0]=2 1116 B12R0.216 CCCCC(CC)SC[C@@H](O)CO 62a_200011216223_100009815848 [0,0,0,0,1,0|0,1,0]=2 1117 B12R0.216 CCCC[C@@H](CO)NCC(O)CC 2230a_100011934283_100011218378 [0,0,0,0,1,0|3,0,0]=4 1118 B12R0.216 CCCC[C@@H](CO)NCC(O)CC 34a_100011934283_100011218378 [0,0,0,0,1,0|3,0,0]=4 1119 B12R0.216 CCCC[C@@H](CO)NCC(O)CO 2230a_100011934283_100011219619 [0,0,0,0,1,0|2,0,0]=3 1120 B12R0.216 CCCC[C@@H](CO)NCC(O)CO 34a_100011934283_100011219619 [0,0,0,0,1,0|2,0,0]=3 1121 B12R0.216 CCCC[C@@H](CO)NC[C@@H](C)CO 2230a_100011934283_100000059175 [0,0,0,0,1,0|3,0,0]=4 1122 B12R0.216 CCCC[C@@H](CO)NC[C@@H](C)CO 34a_100011934283_100000059175 [0,0,0,0,1,0|3,0,0]=4 1123 B12R0.216 CCCC[C@@H](CO)NC[C@@H](O)CF 2230a_100011934283_100015614560 [0,0,0,0,1,0|3,0,0]=4 1124 B12R0.216 CCCC[C@@H](CO)NC[C@@H](O)CF 34a_100011934283_100015614560 [0,0,0,0,1,0|3,0,0]=4 1125 B12R0.216 CCCC[C@@H](CO)NC[C@@H](O)CO 2230a_100011934283_100009815848 [0,0,0,0,1,0|2,0,0]=3 1126 B12R0.216 CCCC[C@@H](CO)NC[C@@H](O)CO 34a_100011934283_100009815848 [0,0,0,0,1,0|2,0,0]=3 1127 B12R0.216 CCOCC(CN)OCC(O)CC 34a_102515437182_100011218378 [0,0,0,0,1,0|3,0,0]=4 1128 B12R0.216 CCOCC(CN)OCC(O)CO 34a_102515437182_100011219619 [0,0,0,0,1,0|2,0,0]=3 1129 B12R0.216 CCOCC(CN)OC[C@@H](C)CO 34a_102515437182_100000059175 [0,0,0,0,1,0|3,0,0]=4 1130 B12R0.216 CCOCC(CN)OC[C@@H](O)CF 34a_102515437182_100015614560 [0,0,0,0,1,0|3,0,0]=4 1131 B12R0.216 CCOCC(CN)OC[C@@H](O)CO 34a_102515437182_100009815848 [0,0,0,0,1,0|2,0,0]=3 1132 B12R0.216 CSCC[C@@H](CO)NCC(O)CO 2230a_100011827619_100011219619 [0,0,0,0,1,0|3,0,0]=4 1133 B12R0.216 CSCC[C@@H](CO)NC[C@@H](O)CO 2230a_100011827619_100009815848 [0,0,0,0,1,0|3,0,0]=4 1134 B14R0.353 CCCCC(C=NNCC(O)CC)CC 4a_100015206393_100011219736 [0,0,0,0,0,1|2,0,1]=4 1135 B14R0.353 CCCCC(CC)CCCCC(=O)CO 1458a_100000210174_200012094884 [0,0,0,0,0,1|1,0,2]=4 1136 B14R0.353 CCCCC(CC)CNCCC(C)CC 2230a_100020591266_100000211942 [0,0,0,0,0,1|3,0,0]=4 1137 B14R0.353 CCCCC(CC)CNCCC(C)CC 269862a_100020591266_100011219736 [0,0,0,0,0,1|3,0,0]=4 1138 B14R0.353 CCCCC(CC)CNCCC(C)CC 270004a_100020591266_100011219736 [0,0,0,0,0,1|3,0,0]=4 1139 B14R0.353 CCCCC(CC)CNCCC(C)CO 2230a_106354213184_100000211942 [0,0,0,0,0,1|2,0,0]=3 1140 B14R0.353 CCCCC(CC)CNCCC(C)CO 269862a_106354213184_100011219736 [0,0,0,0,0,1|2,0,0]=3 1141 B14R0.353 CCCCC(CC)CNCCC(C)CO 270004a_106354213184_100011219736 [0,0,0,0,0,1|2,0,0]=3 1142 B14R0.353 CCCCC(CC)CNCCC(C)CO 34a_106354213184_100000211942 [0,0,0,0,0,1|2,0,0]=3 1143 B14R0.353 CCCCC(CC)COCCC(=NO)N 34a_100000749954_100000211942 [0,0,0,0,0,1|2,0,1]=4 1144 B14R0.353 CCCCC(CC)COCCC(C)CC 7a_100011215188_100000211942 [0,0,0,0,0,1|2,0,0]=3 1145 B14R0.353 CCCCC(CC)COCCC(C)OC 7a_100000764861_100000211942 [0,0,0,0,0,1|3,0,0]=4 1146 B14R0.353 CCCCC(CC)OCCCC(C)CC 7a_100011216074_200011216223 [0,0,0,0,0,1|3,0,0]=4 1147 B14R0.353 CCCCC(CC)OCCC[C@@H](C)CN 34a_100160569302_200011216223 [0,0,0,0,0,1|3,0,0]=4 1148 B14R0.353 CCCCN(CC)CCNCC(O)CC 2230a_200011208488_100011218378 [0,0,0,0,0,1|3,0,0]=4 1149 B14R0.353 CCCCN(CC)CCNCC(O)CO 2230a_200011208488_100011219619 [0,0,0,0,0,1|2,0,0]=3 1150 B14R0.353 CCCCN(CC)CCNC[C@@H](C)CO 2230a_200011208488_100000059175 [0,0,0,0,0,1|3,0,0]=4 1151 B14R0.353 CCCCN(CC)CCNC[C@@H](O)CF 2230a_200011208488_100015614560 [0,0,0,0,0,1|3,0,0]=4 1152 B14R0.353 CCCCN(CC)CCNC[C@@H](O)CO 2230a_200011208488_100009815848 [0,0,0,0,0,1|2,0,0]=3 1153 B11R0.40 C#CCCCCOCC(O)CO 34a_100000766709_100011219619 [2,0,0,0,0,0|0,0,2]=4 1154 B11R0.40 C#CCCCCOCC(O)CO 7a_100000766709_100011219619 [2,0,0,0,0,0|0,0,2]=4 1155 B11R0.40 C#CCCCCOC[C@@H](O)CO 34a_100000766709_100009815848 [2,0,0,0,0,0|0,0,2]=4 1156 B11R0.40 C#CCCCCOC[C@@H](O)CO 7a_100000766709_100009815848 [2,0,0,0,0,0|0,0,2]=4 1157 B11R0.40 C=CC(O)COCCCCCC 34a_100000210259_100000730141 [2,0,0,0,0,0|1,0,1]=4 1158 B11R0.40 C=CC(O)COCCCCCC 7a_100000210259_100000730141 [2,0,0,0,0,0|1,0,1]=4 1159 B11R0.40 C=CCCCCOCC(O)CO 34a_100000766645_100011219619 [2,0,0,0,0,0|0,0,2]=4 1160 B11R0.40 C=CCCCCOCC(O)CO 7a_100000766645_100011219619 [2,0,0,0,0,0|0,0,2]=4 1161 B11R0.40 C=CCCCCOC[C@@H](O)CO 34a_100000766645_100009815848 [2,0,0,0,0,0|0,0,2]=4 1162 B11R0.40 C=CCCCCOC[C@@H](O)CO 7a_100000766645_100009815848 [2,0,0,0,0,0|0,0,2]=4 1163 B11R0.40 CC/C=C\CCOCC(O)CO 34a_100016288707_100011219619 [2,0,0,0,0,0|0,0,2]=4 1164 B11R0.40 CC/C=C\CCOCC(O)CO 7a_100016288707_100011219619 [2,0,0,0,0,0|0,0,2]=4 1165 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 34a_100016288707_100009815848 [2,0,0,0,0,0|0,0,2]=4 1166 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 7a_100016288707_100009815848 [2,0,0,0,0,0|0,0,2]=4 1167 B11R0.40 CC=CCCCOCC(O)CO 34a_100020645299_100011219619 [2,0,0,0,0,0|0,0,2]=4 1168 B11R0.40 CC=CCCCOC[C@@H](O)CO 34a_100020645299_100009815848 [2,0,0,0,0,0|0,0,2]=4 1169 B11R0.40 CCC#CCCOCC(O)CO 34a_100000036655_100011219619 [2,0,0,0,0,0|0,0,2]=4 1170 B11R0.40 CCC#CCCOCC(O)CO 7a_100000036655_100011219619 [2,0,0,0,0,0|0,0,2]=4 1171 B11R0.40 CCC#CCCOC[C@@H](O)CO 34a_100000036655_100009815848 [2,0,0,0,0,0|0,0,2]=4 1172 B11R0.40 CCC#CCCOC[C@@H](O)CO 7a_100000036655_100009815848 [2,0,0,0,0,0|0,0,2]=4 1173 B11R0.40 CCC(O)COCCCCCBr 34a_100000746331_100011218378 [2,0,0,0,0,0|2,0,0]=4 1174 B11R0.40 CCC(O)COCCCCCBr 7a_100000746331_100011218378 [2,0,0,0,0,0|2,0,0]=4 1175 B11R0.40 CCC(O)COCCCCCCl 34a_100000746330_100011218378 [2,0,0,0,0,0|2,0,0]=4 1176 B11R0.40 CCC(O)COCCCCCCl 7a_100000746330_100011218378 [2,0,0,0,0,0|2,0,0]=4 1177 B11R0.40 CCC(O)COCCCCCI 34a_200012148887_100011218378 [2,0,0,0,0,0|2,0,0]=4 1178 B11R0.40 CCC(O)COCCCCCI 7a_200012148887_100011218378 [2,0,0,0,0,0|2,0,0]=4 1179 B11R0.40 CCC(O)COCCCCCN 34a_100000762737_100011218378 [2,0,0,0,0,0|2,0,0]=4 1180 B11R0.40 CCC(O)COCCCCOC 34a_100000740925_100011218378 [2,0,0,0,0,0|2,0,0]=4 1181 B11R0.40 CCC(O)COCCCCSC 34a_100011217163_100011218378 [2,0,0,0,0,0|2,0,0]=4 1182 B11R0.40 CCC(O)COCCCCSC 7a_100011217163_100011218378 [2,0,0,0,0,0|2,0,0]=4 1183 B11R0.40 CCC/C=C/COCC(O)CO 34a_100016278788_100011219619 [2,0,0,0,0,0|0,0,2]=4 1184 B11R0.40 CCC/C=C/COCC(O)CO 7a_100016278788_100011219619 [2,0,0,0,0,0|0,0,2]=4 1185 B11R0.40 CCC/C=C/COC[C@@H](O)CO 34a_100016278788_100009815848 [2,0,0,0,0,0|0,0,2]=4 1186 B11R0.40 CCC/C=C/COC[C@@H](O)CO 7a_100016278788_100009815848 [2,0,0,0,0,0|0,0,2]=4 1187 B11R0.40 CCCC#CCOCC(O)CO 34a_100000034806_100011219619 [2,0,0,0,0,0|0,0,2]=4 1188 B11R0.40 CCCC#CCOCC(O)CO 7a_100000034806_100011219619 [2,0,0,0,0,0|0,0,2]=4 1189 B11R0.40 CCCC#CCOC[C@@H](O)CO 34a_100000034806_100009815848 [2,0,0,0,0,0|0,0,2]=4 1190 B11R0.40 CCCC#CCOC[C@@H](O)CO 7a_100000034806_100009815848 [2,0,0,0,0,0|0,0,2]=4 1191 B11R0.40 CCCCCCNCC(C)CO 34a_100000744482_100000210314 [2,0,0,0,0,0|2,0,0]=4 1192 B11R0.40 CCCCCCNCC(O)CC 2230a_100000210581_100011218378 [2,0,0,0,0,0|2,0,0]=4 1193 B11R0.40 CCCCCCNCC(O)CC 2230a_100011218483_100000210314 [2,0,0,0,0,0|2,0,0]=4 1194 B11R0.40 CCCCCCNCC(O)CO 2230a_100000210581_100011219619 [2,0,0,0,0,0|1,0,0]=3 1195 B11R0.40 CCCCCCNC[C@@H](C)CO 2230a_100000210581_100000059175 [2,0,0,0,0,0|2,0,0]=4 1196 B11R0.40 CCCCCCNC[C@@H](F)CO 34a_100015665980_100000210314 [2,0,0,0,0,0|2,0,0]=4 1197 B11R0.40 CCCCCCNC[C@@H](O)CF 2230a_100000210581_100015614560 [2,0,0,0,0,0|2,0,0]=4 1198 B11R0.40 CCCCCCNC[C@@H](O)CO 2230a_100000210581_100009815848 [2,0,0,0,0,0|1,0,0]=3 1199 B11R0.40 CCCCCCNC[C@H](O)CO 2230a_100020644852_100000210314 [2,0,0,0,0,0|1,0,0]=3 1200 B11R0.40 CCCCCCOCC(C)CC 34a_100000210259_100000748023 [2,0,0,0,0,0|2,0,0]=4 1201 B11R0.40 CCCCCCOCC(C)CC 7a_100000210259_100000748023 [2,0,0,0,0,0|2,0,0]=4 1202 B11R0.40 CCCCCCOCC(C)CN 34a_100000744482_100000210314 [2,0,0,0,0,0|2,0,0]=4 1203 B11R0.40 CCCCCCOCC(Cl)CCl 34a_100000033668_100000210314 [2,0,0,0,0,0|2,0,0]=4 1204 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [2,0,0,0,0,0|1,0,0]=3 1205 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [2,0,0,0,0,0|1,0,0]=3 1206 B11R0.40 CCCCCCOCC(O)CO 34a_100000210259_100011219619 [2,0,0,0,0,0|0,0,0]=2 1207 B11R0.40 CCCCCCOCC(O)CO 7a_100000210259_100011219619 [2,0,0,0,0,0|0,0,0]=2 1208 B11R0.40 CCCCCCOC[C@@H](C)CC 34a_100000210259_100009816398 [2,0,0,0,0,0|2,0,0]=4 1209 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100000210259_100009816398 [2,0,0,0,0,0|2,0,0]=4 1210 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100009816381_100000210314 [2,0,0,0,0,0|2,0,0]=4 1211 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [2,0,0,0,0,0|1,0,0]=3 1212 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [2,0,0,0,0,0|1,0,0]=3 1213 B11R0.40 CCCCCCOC[C@@H](O)CF 34a_100000210259_100015614560 [2,0,0,0,0,0|1,0,0]=3 1214 B11R0.40 CCCCCCOC[C@@H](O)CF 7a_100000210259_100015614560 [2,0,0,0,0,0|1,0,0]=3 1215 B11R0.40 CCCCCCOC[C@@H](O)CO 34a_100000210259_100009815848 [2,0,0,0,0,0|0,0,0]=2 1216 B11R0.40 CCCCCCOC[C@@H](O)CO 7a_100000210259_100009815848 [2,0,0,0,0,0|0,0,0]=2 1217 B11R0.40 CCCCCCOC[C@H](F)CN 34a_100015665980_100000210314 [2,0,0,0,0,0|2,0,0]=4 1218 B11R0.40 CCCCCCSCC(O)CC 62a_100000210314_100011218378 [2,0,0,0,0,0|1,1,0]=4 1219 B11R0.40 CCCCCCSCC(O)CC 62a_100011218378_100000210757 [2,0,0,0,0,0|1,1,0]=4 1220 B11R0.40 CCCCCCSCC(O)CO 62a_100000210314_100011219619 [2,0,0,0,0,0|0,1,0]=3 1221 B11R0.40 CCCCCCSCC(O)CO 62a_100011219619_100000210757 [2,0,0,0,0,0|0,1,0]=3 1222 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000059175_100000210757 [2,0,0,0,0,0|1,1,0]=4 1223 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000210314_100000059175 [2,0,0,0,0,0|1,1,0]=4 1224 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100000210314_100015614560 [2,0,0,0,0,0|1,1,0]=4 1225 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100015614560_100000210757 [2,0,0,0,0,0|1,1,0]=4 1226 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100000210314_100009815848 [2,0,0,0,0,0|0,1,0]=3 1227 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100009815848_100000210757 [2,0,0,0,0,0|0,1,0]=3 1228 B11R0.40 CCCCOCNC[C@H](O)CO 2230a_100020644852_100011995733 [2,0,0,0,0,0|2,0,0]=4 1229 B11R0.40 CCCCOCSCC(O)CO 62a_100011219619_100011995733 [2,0,0,0,0,0|1,1,0]=4 1230 B11R0.40 CCCCOCSCC(O)CO 62a_100011995733_100011219619 [2,0,0,0,0,0|1,1,0]=4 1231 B11R0.40 CCCCOCSC[C@@H](O)CO 62a_100009815848_100011995733 [2,0,0,0,0,0|1,1,0]=4 1232 B11R0.40 CCCCOCSC[C@@H](O)CO 62a_100011995733_100009815848 [2,0,0,0,0,0|1,1,0]=4 1233 B11R0.40 CCCOCCNCC(O)CO 2230a_100161115042_100011219619 [2,0,0,0,0,0|2,0,0]=4 1234 B11R0.40 CCCOCCNCC(O)CO 34a_100161115042_100011219619 [2,0,0,0,0,0|2,0,0]=4 1235 B11R0.40 CCCOCCNC[C@@H](O)CO 2230a_100161115042_100009815848 [2,0,0,0,0,0|2,0,0]=4 1236 B11R0.40 CCCOCCNC[C@@H](O)CO 34a_100161115042_100009815848 [2,0,0,0,0,0|2,0,0]=4 1237 B11R0.40 CCCOCCNC[C@H](O)CO 2230a_100020644852_100011215938 [2,0,0,0,0,0|2,0,0]=4 1238 B11R0.40 CCCOCCOCC(O)CC 34a_100000752267_100011218378 [2,0,0,0,0,0|2,0,0]=4 1239 B11R0.40 CCCOCCOCC(O)CC 7a_100000752267_100011218378 [2,0,0,0,0,0|2,0,0]=4 1240 B11R0.40 CCCOCCOCC(O)CO 34a_100000752267_100011219619 [2,0,0,0,0,0|1,0,0]=3 1241 B11R0.40 CCCOCCOCC(O)CO 7a_100000752267_100011219619 [2,0,0,0,0,0|1,0,0]=3 1242 B11R0.40 CCCOCCOC[C@@H](C)CO 34a_100000752267_100000059175 [2,0,0,0,0,0|2,0,0]=4 1243 B11R0.40 CCCOCCOC[C@@H](C)CO 7a_100000752267_100000059175 [2,0,0,0,0,0|2,0,0]=4 1244 B11R0.40 CCCOCCOC[C@@H](O)CF 34a_100000752267_100015614560 [2,0,0,0,0,0|2,0,0]=4 1245 B11R0.40 CCCOCCOC[C@@H](O)CF 7a_100000752267_100015614560 [2,0,0,0,0,0|2,0,0]=4 1246 B11R0.40 CCCOCCOC[C@@H](O)CO 34a_100000752267_100009815848 [2,0,0,0,0,0|1,0,0]=3 1247 B11R0.40 CCCOCCOC[C@@H](O)CO 7a_100000752267_100009815848 [2,0,0,0,0,0|1,0,0]=3 1248 B11R0.40 CCCOCCSCC(O)CO 62a_100011215938_100011219619 [2,0,0,0,0,0|1,1,0]=4 1249 B11R0.40 CCCOCCSCC(O)CO 62a_100011219619_100011215938 [2,0,0,0,0,0|1,1,0]=4 1250 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100009815848_100011215938 [2,0,0,0,0,0|1,1,0]=4 1251 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100011215938_100009815848 [2,0,0,0,0,0|1,1,0]=4 1252 B11R0.40 CCCSCCNCC(O)CO 2230a_100020603323_100011219619 [2,0,0,0,0,0|2,0,0]=4 1253 B11R0.40 CCCSCCNC[C@@H](O)CO 2230a_100020603323_100009815848 [2,0,0,0,0,0|2,0,0]=4 1254 B11R0.40 CCCSCCOCC(O)CC 34a_200000230433_100011218378 [2,0,0,0,0,0|2,0,0]=4 1255 B11R0.40 CCCSCCOCC(O)CC 7a_200000230433_100011218378 [2,0,0,0,0,0|2,0,0]=4 1256 B11R0.40 CCCSCCOCC(O)CO 34a_200000230433_100011219619 [2,0,0,0,0,0|1,0,0]=3 1257 B11R0.40 CCCSCCOCC(O)CO 7a_200000230433_100011219619 [2,0,0,0,0,0|1,0,0]=3 1258 B11R0.40 CCCSCCOC[C@@H](C)CO 34a_200000230433_100000059175 [2,0,0,0,0,0|2,0,0]=4 1259 B11R0.40 CCCSCCOC[C@@H](C)CO 7a_200000230433_100000059175 [2,0,0,0,0,0|2,0,0]=4 1260 B11R0.40 CCCSCCOC[C@@H](O)CF 34a_200000230433_100015614560 [2,0,0,0,0,0|2,0,0]=4 1261 B11R0.40 CCCSCCOC[C@@H](O)CF 7a_200000230433_100015614560 [2,0,0,0,0,0|2,0,0]=4 1262 B11R0.40 CCCSCCOC[C@@H](O)CO 34a_200000230433_100009815848 [2,0,0,0,0,0|1,0,0]=3 1263 B11R0.40 CCCSCCOC[C@@H](O)CO 7a_200000230433_100009815848 [2,0,0,0,0,0|1,0,0]=3 1264 B11R0.40 CCOCCCNCC(O)CO 2230a_100000210961_100011219619 [2,0,0,0,0,0|2,0,0]=4 1265 B11R0.40 CCOCCCNCC(O)CO 34a_100000210961_100011219619 [2,0,0,0,0,0|2,0,0]=4 1266 B11R0.40 CCOCCCNC[C@@H](O)CO 2230a_100000210961_100009815848 [2,0,0,0,0,0|2,0,0]=4 1267 B11R0.40 CCOCCCNC[C@@H](O)CO 34a_100000210961_100009815848 [2,0,0,0,0,0|2,0,0]=4 1268 B11R0.40 CCOCCCNC[C@H](O)CO 2230a_100020644852_100012232248 [2,0,0,0,0,0|2,0,0]=4 1269 B11R0.40 CCOCCCOCC(O)CC 34a_100000757476_100011218378 [2,0,0,0,0,0|2,0,0]=4 1270 B11R0.40 CCOCCCOCC(O)CC 7a_100000757476_100011218378 [2,0,0,0,0,0|2,0,0]=4 1271 B11R0.40 CCOCCCOCC(O)CO 34a_100000757476_100011219619 [2,0,0,0,0,0|1,0,0]=3 1272 B11R0.40 CCOCCCOCC(O)CO 7a_100000757476_100011219619 [2,0,0,0,0,0|1,0,0]=3 1273 B11R0.40 CCOCCCOC[C@@H](C)CO 34a_100000757476_100000059175 [2,0,0,0,0,0|2,0,0]=4 1274 B11R0.40 CCOCCCOC[C@@H](C)CO 7a_100000757476_100000059175 [2,0,0,0,0,0|2,0,0]=4 1275 B11R0.40 CCOCCCOC[C@@H](O)CF 34a_100000757476_100015614560 [2,0,0,0,0,0|2,0,0]=4 1276 B11R0.40 CCOCCCOC[C@@H](O)CF 7a_100000757476_100015614560 [2,0,0,0,0,0|2,0,0]=4 1277 B11R0.40 CCOCCCOC[C@@H](O)CO 34a_100000757476_100009815848 [2,0,0,0,0,0|1,0,0]=3 1278 B11R0.40 CCOCCCOC[C@@H](O)CO 7a_100000757476_100009815848 [2,0,0,0,0,0|1,0,0]=3 1279 B11R0.40 CCOCCCSCC(O)CO 62a_100011219619_100012232248 [2,0,0,0,0,0|1,1,0]=4 1280 B11R0.40 CCOCCCSCC(O)CO 62a_100012232248_100011219619 [2,0,0,0,0,0|1,1,0]=4 1281 B11R0.40 CCOCCCSC[C@@H](O)CO 62a_100009815848_100012232248 [2,0,0,0,0,0|1,1,0]=4 1282 B11R0.40 CCOCCCSC[C@@H](O)CO 62a_100012232248_100009815848 [2,0,0,0,0,0|1,1,0]=4 1283 B11R0.40 CCSCCCOCC(O)CC 34a_100011216438_100011218378 [2,0,0,0,0,0|2,0,0]=4 1284 B11R0.40 CCSCCCOCC(O)CC 7a_100011216438_100011218378 [2,0,0,0,0,0|2,0,0]=4 1285 B11R0.40 CCSCCCOCC(O)CO 34a_100011216438_100011219619 [2,0,0,0,0,0|1,0,0]=3 1286 B11R0.40 CCSCCCOCC(O)CO 7a_100011216438_100011219619 [2,0,0,0,0,0|1,0,0]=3 1287 B11R0.40 CCSCCCOC[C@@H](C)CO 34a_100011216438_100000059175 [2,0,0,0,0,0|2,0,0]=4 1288 B11R0.40 CCSCCCOC[C@@H](C)CO 7a_100011216438_100000059175 [2,0,0,0,0,0|2,0,0]=4 1289 B11R0.40 CCSCCCOC[C@@H](O)CF 34a_100011216438_100015614560 [2,0,0,0,0,0|2,0,0]=4 1290 B11R0.40 CCSCCCOC[C@@H](O)CF 7a_100011216438_100015614560 [2,0,0,0,0,0|2,0,0]=4 1291 B11R0.40 CCSCCCOC[C@@H](O)CO 34a_100011216438_100009815848 [2,0,0,0,0,0|1,0,0]=3 1292 B11R0.40 CCSCCCOC[C@@H](O)CO 7a_100011216438_100009815848 [2,0,0,0,0,0|1,0,0]=3 1293 B11R0.40 COCCCCNC[C@H](O)CO 2230a_100020644852_100000730899 [2,0,0,0,0,0|2,0,0]=4 1294 B11R0.40 COCCCCOCC(O)CO 34a_100000740925_100011219619 [2,0,0,0,0,0|1,0,0]=3 1295 B11R0.40 COCCCCOC[C@@H](C)CO 34a_100000740925_100000059175 [2,0,0,0,0,0|2,0,0]=4 1296 B11R0.40 COCCCCOC[C@@H](O)CF 34a_100000740925_100015614560 [2,0,0,0,0,0|2,0,0]=4 1297 B11R0.40 COCCCCOC[C@@H](O)CO 34a_100000740925_100009815848 [2,0,0,0,0,0|1,0,0]=3 1298 B11R0.40 COCCCCSCC(O)CO 62a_100000730899_100011219619 [2,0,0,0,0,0|1,1,0]=4 1299 B11R0.40 COCCCCSCC(O)CO 62a_100011219619_100000730899 [2,0,0,0,0,0|1,1,0]=4 1300 B11R0.40 COCCCCSC[C@@H](O)CO 62a_100000730899_100009815848 [2,0,0,0,0,0|1,1,0]=4 1301 B11R0.40 COCCCCSC[C@@H](O)CO 62a_100009815848_100000730899 [2,0,0,0,0,0|1,1,0]=4 1302 B11R0.40 CSCCCCOCC(O)CO 34a_100011217163_100011219619 [2,0,0,0,0,0|1,0,0]=3 1303 B11R0.40 CSCCCCOCC(O)CO 7a_100011217163_100011219619 [2,0,0,0,0,0|1,0,0]=3 1304 B11R0.40 CSCCCCOC[C@@H](C)CO 34a_100011217163_100000059175 [2,0,0,0,0,0|2,0,0]=4 1305 B11R0.40 CSCCCCOC[C@@H](C)CO 7a_100011217163_100000059175 [2,0,0,0,0,0|2,0,0]=4 1306 B11R0.40 CSCCCCOC[C@@H](O)CF 34a_100011217163_100015614560 [2,0,0,0,0,0|2,0,0]=4 1307 B11R0.40 CSCCCCOC[C@@H](O)CF 7a_100011217163_100015614560 [2,0,0,0,0,0|2,0,0]=4 1308 B11R0.40 CSCCCCOC[C@@H](O)CO 34a_100011217163_100009815848 [2,0,0,0,0,0|1,0,0]=3 1309 B11R0.40 CSCCCCOC[C@@H](O)CO 7a_100011217163_100009815848 [2,0,0,0,0,0|1,0,0]=3 1310 B11R0.40 C[C@@H](CO)COCCCCCBr 34a_100000746331_100000059175 [2,0,0,0,0,0|2,0,0]=4 1311 B11R0.40 C[C@@H](CO)COCCCCCBr 7a_100000746331_100000059175 [2,0,0,0,0,0|2,0,0]=4 1312 B11R0.40 C[C@@H](CO)COCCCCCCl 34a_100000746330_100000059175 [2,0,0,0,0,0|2,0,0]=4 1313 B11R0.40 C[C@@H](CO)COCCCCCCl 7a_100000746330_100000059175 [2,0,0,0,0,0|2,0,0]=4 1314 B11R0.40 C[C@@H](CO)COCCCCCI 34a_200012148887_100000059175 [2,0,0,0,0,0|2,0,0]=4 1315 B11R0.40 C[C@@H](CO)COCCCCCI 7a_200012148887_100000059175 [2,0,0,0,0,0|2,0,0]=4 1316 B11R0.40 C[C@@H](CO)COCCCCCN 34a_100000762737_100000059175 [2,0,0,0,0,0|2,0,0]=4 1317 B11R0.40 NCCCCCOCC(O)CO 34a_100000762737_100011219619 [2,0,0,0,0,0|1,0,0]=3 1318 B11R0.40 NCCCCCOC[C@@H](O)CF 34a_100000762737_100015614560 [2,0,0,0,0,0|2,0,0]=4 1319 B11R0.40 NCCCCCOC[C@@H](O)CO 34a_100000762737_100009815848 [2,0,0,0,0,0|1,0,0]=3 1320 B11R0.40 NCCOCCOCC(O)CO 34a_100000211614_100011219619 [2,0,0,0,0,0|2,0,0]=4 1321 B11R0.40 NCCOCCOC[C@@H](O)CO 34a_100000211614_100009815848 [2,0,0,0,0,0|2,0,0]=4 1322 B11R0.40 OCC(O)COCCCCCBr 34a_100000746331_100011219619 [2,0,0,0,0,0|1,0,0]=3 1323 B11R0.40 OCC(O)COCCCCCBr 7a_100000746331_100011219619 [2,0,0,0,0,0|1,0,0]=3 1324 B11R0.40 OCC(O)COCCCCCCl 34a_100000746330_100011219619 [2,0,0,0,0,0|1,0,0]=3 1325 B11R0.40 OCC(O)COCCCCCCl 7a_100000746330_100011219619 [2,0,0,0,0,0|1,0,0]=3 1326 B11R0.40 OCC(O)COCCCCCI 34a_200012148887_100011219619 [2,0,0,0,0,0|1,0,0]=3 1327 B11R0.40 OCC(O)COCCCCCI 7a_200012148887_100011219619 [2,0,0,0,0,0|1,0,0]=3 1328 B11R0.40 OCC(O)COCCOCCBr 34a_100000692535_100011219619 [2,0,0,0,0,0|2,0,0]=4 1329 B11R0.40 OCC(O)COCCOCCBr 7a_100000692535_100011219619 [2,0,0,0,0,0|2,0,0]=4 1330 B11R0.40 OCC(O)COCCOCCCl 34a_100011215305_100011219619 [2,0,0,0,0,0|2,0,0]=4 1331 B11R0.40 OCC(O)COCCOCCCl 7a_100011215305_100011219619 [2,0,0,0,0,0|2,0,0]=4 1332 B11R0.40 OCC(O)COCCOCCF 34a_200015357709_100011219619 [2,0,0,0,0,0|2,0,0]=4 1333 B11R0.40 OCC(O)COCCOCCF 7a_200015357709_100011219619 [2,0,0,0,0,0|2,0,0]=4 1334 B11R0.40 OCC(O)COCCOCCI 34a_100012149058_100011219619 [2,0,0,0,0,0|2,0,0]=4 1335 B11R0.40 OCC(O)COCCOCCI 7a_100012149058_100011219619 [2,0,0,0,0,0|2,0,0]=4 1336 B11R0.40 OCC(O)CSCCCCCF 62a_100000729378_100011219619 [2,0,0,0,0,0|1,1,0]=4 1337 B11R0.40 OCC(O)CSCCCCCF 62a_100011219619_100000729378 [2,0,0,0,0,0|1,1,0]=4 1338 B11R0.40 OCCCCCNCC(O)CO 2230a_100000762737_100011219619 [2,0,0,0,0,0|2,0,0]=4 1339 B11R0.40 OCCCCCNCC(O)CO 34a_100000762737_100011219619 [2,0,0,0,0,0|2,0,0]=4 1340 B11R0.40 OCCCCCNC[C@@H](O)CO 2230a_100000762737_100009815848 [2,0,0,0,0,0|2,0,0]=4 1341 B11R0.40 OCCCCCNC[C@@H](O)CO 34a_100000762737_100009815848 [2,0,0,0,0,0|2,0,0]=4 1342 B11R0.40 OCCCCCNC[C@H](O)CO 2230a_100020644852_100000746330 [2,0,0,0,0,0|2,0,0]=4 1343 B11R0.40 OCCCCCSCC(O)CO 62a_100000746330_100011219619 [2,0,0,0,0,0|1,1,0]=4 1344 B11R0.40 OCCCCCSCC(O)CO 62a_100011219619_100000746330 [2,0,0,0,0,0|1,1,0]=4 1345 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100000746330_100009815848 [2,0,0,0,0,0|1,1,0]=4 1346 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100009815848_100000746330 [2,0,0,0,0,0|1,1,0]=4 1347 B11R0.40 OC[C@@H](O)CNCCCCCF 2230a_100020644852_100000729378 [2,0,0,0,0,0|2,0,0]=4 1348 B11R0.40 OC[C@H](O)COCCCCCBr 34a_100000746331_100009815848 [2,0,0,0,0,0|1,0,0]=3 1349 B11R0.40 OC[C@H](O)COCCCCCBr 7a_100000746331_100009815848 [2,0,0,0,0,0|1,0,0]=3 1350 B11R0.40 OC[C@H](O)COCCCCCCl 34a_100000746330_100009815848 [2,0,0,0,0,0|1,0,0]=3 1351 B11R0.40 OC[C@H](O)COCCCCCCl 7a_100000746330_100009815848 [2,0,0,0,0,0|1,0,0]=3 1352 B11R0.40 OC[C@H](O)COCCCCCI 34a_200012148887_100009815848 [2,0,0,0,0,0|1,0,0]=3 1353 B11R0.40 OC[C@H](O)COCCCCCI 7a_200012148887_100009815848 [2,0,0,0,0,0|1,0,0]=3 1354 B11R0.40 OC[C@H](O)COCCOCCBr 34a_100000692535_100009815848 [2,0,0,0,0,0|2,0,0]=4 1355 B11R0.40 OC[C@H](O)COCCOCCBr 7a_100000692535_100009815848 [2,0,0,0,0,0|2,0,0]=4 1356 B11R0.40 OC[C@H](O)COCCOCCCl 34a_100011215305_100009815848 [2,0,0,0,0,0|2,0,0]=4 1357 B11R0.40 OC[C@H](O)COCCOCCCl 7a_100011215305_100009815848 [2,0,0,0,0,0|2,0,0]=4 1358 B11R0.40 OC[C@H](O)COCCOCCF 34a_200015357709_100009815848 [2,0,0,0,0,0|2,0,0]=4 1359 B11R0.40 OC[C@H](O)COCCOCCF 7a_200015357709_100009815848 [2,0,0,0,0,0|2,0,0]=4 1360 B11R0.40 OC[C@H](O)COCCOCCI 34a_100012149058_100009815848 [2,0,0,0,0,0|2,0,0]=4 1361 B11R0.40 OC[C@H](O)COCCOCCI 7a_100012149058_100009815848 [2,0,0,0,0,0|2,0,0]=4 1362 B11R0.40 OC[C@H](O)CSCCCCCF 62a_100000729378_100009815848 [2,0,0,0,0,0|1,1,0]=4 1363 B11R0.40 OC[C@H](O)CSCCCCCF 62a_100009815848_100000729378 [2,0,0,0,0,0|1,1,0]=4 1364 B11R0.40 O[C@@H](CF)COCCCCCBr 34a_100000746331_100015614560 [2,0,0,0,0,0|2,0,0]=4 1365 B11R0.40 O[C@@H](CF)COCCCCCBr 7a_100000746331_100015614560 [2,0,0,0,0,0|2,0,0]=4 1366 B11R0.40 O[C@@H](CF)COCCCCCCl 34a_100000746330_100015614560 [2,0,0,0,0,0|2,0,0]=4 1367 B11R0.40 O[C@@H](CF)COCCCCCCl 7a_100000746330_100015614560 [2,0,0,0,0,0|2,0,0]=4 1368 B11R0.40 O[C@@H](CF)COCCCCCI 34a_200012148887_100015614560 [2,0,0,0,0,0|2,0,0]=4 1369 B11R0.40 O[C@@H](CF)COCCCCCI 7a_200012148887_100015614560 [2,0,0,0,0,0|2,0,0]=4 1370 B11R0.81 C#CCCOCC(C)CCCC 34a_100011995851_100000688953 [2,0,0,0,0,0|1,0,1]=4 1371 B11R0.81 C#CCCOCC(C)CCCC 7a_100011995851_100000688953 [2,0,0,0,0,0|1,0,1]=4 1372 B11R0.81 C=CCCOCC(C)CCCC 34a_100011995851_100000754431 [2,0,0,0,0,0|1,0,1]=4 1373 B11R0.81 C=CCCOCC(C)CCCC 7a_100011995851_100000754431 [2,0,0,0,0,0|1,0,1]=4 1374 B11R0.81 CCCCC(C)COCCC#N 7a_100011995851_100000184422 [2,0,0,0,0,0|1,0,1]=4 1375 B11R0.81 CCCCC(C)COCCCF 34a_100011995851_100011934791 [2,0,0,0,0,0|1,0,0]=3 1376 B11R0.81 CCCCC(C)COCCCF 7a_100011995851_100011934791 [2,0,0,0,0,0|1,0,0]=3 1377 B11R0.81 CCCCC(C)COCCCO 34a_100011995851_100000230001 [2,0,0,0,0,0|0,0,0]=2 1378 B11R0.81 CCCCC(C)COCCCO 7a_100011995851_100011215043 [2,0,0,0,0,0|0,0,0]=2 1379 B11R0.81 CCCCC(C)COCCOC 34a_100011995851_100011201679 [2,0,0,0,0,0|2,0,0]=4 1380 B11R0.81 CCCCC(C)COCCOC 7a_100011995851_100000233755 [2,0,0,0,0,0|2,0,0]=4 1381 B11R0.81 CCCCC(C)COCCSC 34a_100011995851_100000212216 [2,0,0,0,0,0|2,0,0]=4 1382 B11R0.81 CCCCC(C)COCCSC 7a_100011995851_100000212216 [2,0,0,0,0,0|2,0,0]=4 1383 B11R0.81 CCCCC(C)NCCCCO 2230a_100000126638_100000210776 [2,0,0,0,0,0|2,0,0]=4 1384 B11R0.81 CCCCC(C)NCCCCO 2230a_100000750430_200011215066 [2,0,0,0,0,0|2,0,0]=4 1385 B11R0.81 CCCCC(C)NCCCCO 270004a_100000750430_100000210087 [2,0,0,0,0,0|2,0,0]=4 1386 B11R0.81 CCCCC(C)NCCCCO 34a_100000750430_200011215066 [2,0,0,0,0,0|2,0,0]=4 1387 B11R0.81 CCCCC(C)OCCCCO 34a_100000687866_100011216708 [2,0,0,0,0,0|2,0,0]=4 1388 B11R0.81 CCCCC(C)OCCCCO 7a_100000687866_100000210776 [2,0,0,0,0,0|2,0,0]=4 1389 B11R0.81 CCCCC(C)SCCCCO 62a_100000210776_200011215066 [2,0,0,0,0,0|2,0,0]=4 1390 B11R0.81 CCCCC(C)SCCCCO 62a_200011215066_100000210776 [2,0,0,0,0,0|2,0,0]=4 1391 B11R0.81 CCCCN(C)CCCCCO 2230a_100000207549_100000746330 [2,0,0,0,0,0|2,0,0]=4 1392 B11R0.81 CCCCN(C)CCCCCO 2230a_100000722520_100000210211 [2,0,0,0,0,0|2,0,0]=4 1393 B11R0.81 CCCCN(C)CCCCCO 269982a_100000207549_100000746330 [2,0,0,0,0,0|2,0,0]=4 1394 B11R0.81 CCCCN(C)CCCCCO 269982a_100000722520_100000210211 [2,0,0,0,0,0|2,0,0]=4 1395 B11R0.81 CCCCOCC(C)CCCC 34a_100011995851_100000210210 [2,0,0,0,0,0|1,0,0]=3 1396 B11R0.81 CCCCOCC(C)CCCC 7a_100011995851_100000210211 [2,0,0,0,0,0|1,0,0]=3 1397 B11R0.81 CCCCOCC(C)OCCC 34a_100011217071_100000210303 [2,0,0,0,0,0|2,0,0]=4 1398 B11R0.81 CCCCOCC(C)OCCC 7a_100011217071_100000210303 [2,0,0,0,0,0|2,0,0]=4 1399 B11R0.81 CCCCOCN(C)CCCC 2230a_100000207549_100011995733 [2,0,0,0,0,0|2,0,0]=4 1400 B11R0.81 CCCCOCN(C)CCCC 269982a_100000207549_100011995733 [2,0,0,0,0,0|2,0,0]=4 1401 B11R0.81 CCCCOC[C@@H](N)CCCC 34a_100011934283_100000210210 [2,0,0,0,0,0|2,0,0]=4 1402 B11R0.81 CCCC[C@H](N)COCCCF 34a_100011934283_100011934791 [2,0,0,0,0,0|2,0,0]=4 1403 B11R0.81 CCCC[C@H](N)COCCCO 34a_100011934283_100000230001 [2,0,0,0,0,0|1,0,0]=3 1404 B11R0.81 CCCOC(C)CNCCCO 2230a_100015185124_100000230001 [2,0,0,0,0,0|2,0,0]=4 1405 B11R0.81 CCCOC(C)CNCCCO 34a_100015185124_100000230001 [2,0,0,0,0,0|2,0,0]=4 1406 B11R0.81 COCO[C@H](C)COCCCO 34a_100016172286_100000230001 [2,0,0,0,0,0|2,0,0]=4 1407 B11R0.81 COCO[C@H](C)COCCCO 7a_100016172286_100011215043 [2,0,0,0,0,0|2,0,0]=4 1408 B11R0.81 CSCC[C@H](N)COCCCO 34a_100011827619_100000230001 [2,0,0,0,0,0|2,0,0]=4 1409 B11R0.81 C[C@H](CCCO)CNCCCO 2230a_100160569302_100000230001 [2,0,0,0,0,0|2,0,0]=4 1410 B11R0.81 C[C@H](CCCO)CNCCCO 34a_100160569302_100000230001 [2,0,0,0,0,0|2,0,0]=4 1411 B11R0.147 C=C(C)COCC(C)CCCC 34a_100011995851_100000748629 [2,0,0,0,0,0|1,0,1]=4 1412 B11R0.147 C=C(C)COCC(C)CCCC 7a_100011995851_100000748629 [2,0,0,0,0,0|1,0,1]=4 1413 B11R0.147 CC(O)CNC[C@H](C)CCCO 2230a_100160569302_100011218427 [2,0,0,0,0,0|2,0,0]=4 1414 B11R0.147 CC(O)CNC[C@H](C)CCCO 34a_100160569302_100011218427 [2,0,0,0,0,0|2,0,0]=4 1415 B11R0.147 CCCCC(C)COCC(C)C 34a_100011995851_100000210624 [2,0,0,0,0,0|1,0,0]=3 1416 B11R0.147 CCCCC(C)COCC(C)C 7a_100011995851_100000210760 [2,0,0,0,0,0|1,0,0]=3 1417 B11R0.147 CCCCC(C)COCC(C)O 34a_100011995851_100011218427 [2,0,0,0,0,0|0,0,0]=2 1418 B11R0.147 CCCCC(C)COCC(C)O 7a_100011995851_100011218427 [2,0,0,0,0,0|0,0,0]=2 1419 B11R0.147 CCCCC(C)COCC(F)F 34a_100011995851_100011934356 [2,0,0,0,0,0|2,0,0]=4 1420 B11R0.147 CCCCC(C)COCC(F)F 7a_100011995851_100011934356 [2,0,0,0,0,0|2,0,0]=4 1421 B11R0.147 CCCCC(C)COC[C@@H](C)O 34a_100011995851_100009817552 [2,0,0,0,0,0|0,0,0]=2 1422 B11R0.147 CCCCC(C)COC[C@@H](C)O 7a_100011995851_100009817552 [2,0,0,0,0,0|0,0,0]=2 1423 B11R0.147 CCCCC(C)NCCC(C)O 2230a_100000126638_100012276601 [2,0,0,0,0,0|2,0,0]=4 1424 B11R0.147 CCCCC(C)NCCC(C)O 2230a_200000755665_200011215066 [2,0,0,0,0,0|2,0,0]=4 1425 B11R0.147 CCCCC(C)NCCC(C)O 270004a_200000755665_100000210087 [2,0,0,0,0,0|2,0,0]=4 1426 B11R0.147 CCCCC(C)OCCC(C)O 34a_100000687866_100012276601 [2,0,0,0,0,0|2,0,0]=4 1427 B11R0.147 CCCCC(C)OCCC(C)O 7a_100000687866_100012276601 [2,0,0,0,0,0|2,0,0]=4 1428 B11R0.147 CCCCC(C)SCCC(C)O 62a_100012276601_200011215066 [2,0,0,0,0,0|2,0,0]=4 1429 B11R0.147 CCCCC(C)SCCC(C)O 62a_200011215066_100012276601 [2,0,0,0,0,0|2,0,0]=4 1430 B11R0.147 CCCCN(C)CCCC(C)O 2230a_100000207549_200000718107 [2,0,0,0,0,0|2,0,0]=4 1431 B11R0.147 CCCCN(C)CCCC(C)O 269982a_100000207549_200000718107 [2,0,0,0,0,0|2,0,0]=4 1432 B11R0.147 CCCC[C@H](N)COCC(C)C 34a_100011934283_100000210624 [2,0,0,0,0,0|2,0,0]=4 1433 B11R0.147 CCCC[C@H](N)COCC(C)O 34a_100011934283_100011218427 [2,0,0,0,0,0|1,0,0]=3 1434 B11R0.147 CCCC[C@H](N)COC[C@@H](C)O 34a_100011934283_100009817552 [2,0,0,0,0,0|1,0,0]=3 1435 B11R0.147 CCCOC(C)CNCC(C)O 2230a_100015185124_100011218427 [2,0,0,0,0,0|2,0,0]=4 1436 B11R0.147 CCCOC(C)CNCC(C)O 34a_100015185124_100011218427 [2,0,0,0,0,0|2,0,0]=4 1437 B11R0.147 CCCOC(C)CNC[C@@H](C)O 2230a_100015185124_100009817552 [2,0,0,0,0,0|2,0,0]=4 1438 B11R0.147 CCCOC(C)CNC[C@@H](C)O 34a_100015185124_100009817552 [2,0,0,0,0,0|2,0,0]=4 1439 B11R0.147 COCO[C@H](C)COCC(C)O 34a_100016172286_100011218427 [2,0,0,0,0,0|2,0,0]=4 1440 B11R0.147 COCO[C@H](C)COCC(C)O 7a_100016172286_100011218427 [2,0,0,0,0,0|2,0,0]=4 1441 B11R0.147 COCO[C@H](C)COC[C@@H](C)O 34a_100016172286_100009817552 [2,0,0,0,0,0|2,0,0]=4 1442 B11R0.147 COCO[C@H](C)COC[C@@H](C)O 7a_100016172286_100009817552 [2,0,0,0,0,0|2,0,0]=4 1443 B11R0.147 CSCC[C@H](N)COCC(C)O 34a_100011827619_100011218427 [2,0,0,0,0,0|2,0,0]=4 1444 B11R0.147 CSCC[C@H](N)COC[C@@H](C)O 34a_100011827619_100009817552 [2,0,0,0,0,0|2,0,0]=4 1445 B11R0.147 C[C@H](CCCO)CNC[C@@H](C)O 2230a_100160569302_100009817552 [2,0,0,0,0,0|2,0,0]=4 1446 B11R0.147 C[C@H](CCCO)CNC[C@@H](C)O 34a_100160569302_100009817552 [2,0,0,0,0,0|2,0,0]=4 1447 B11R0.174 C=CC(O)COCC(C)CCC 34a_100000688023_100000730141 [2,0,0,0,0,0|1,0,1]=4 1448 B11R0.174 C=CC(O)COCC(C)CCC 7a_100000688023_100000730141 [2,0,0,0,0,0|1,0,1]=4 1449 B11R0.174 C=CCC(C)COCC(O)CO 34a_100009832082_100011219619 [2,0,0,0,0,0|0,0,2]=4 1450 B11R0.174 C=CCC(C)COCC(O)CO 7a_100009832082_100011219619 [2,0,0,0,0,0|0,0,2]=4 1451 B11R0.174 C=CCC(C)COC[C@@H](O)CO 34a_100009832082_100009815848 [2,0,0,0,0,0|0,0,2]=4 1452 B11R0.174 C=CCC(C)COC[C@@H](O)CO 7a_100009832082_100009815848 [2,0,0,0,0,0|0,0,2]=4 1453 B11R0.174 CC(CCN)COCC(O)CO 34a_106354213184_100011219619 [2,0,0,0,0,0|1,0,0]=3 1454 B11R0.174 CC(CCN)COC[C@@H](C)CO 34a_106354213184_100000059175 [2,0,0,0,0,0|2,0,0]=4 1455 B11R0.174 CC(CCN)COC[C@@H](O)CF 34a_106354213184_100015614560 [2,0,0,0,0,0|2,0,0]=4 1456 B11R0.174 CC(CCN)COC[C@@H](O)CO 34a_106354213184_100009815848 [2,0,0,0,0,0|1,0,0]=3 1457 B11R0.174 CCC(O)COCC(C)CCN 34a_106354213184_100011218378 [2,0,0,0,0,0|2,0,0]=4 1458 B11R0.174 CCCC(C)CNCC(C)CO 34a_100000744482_100011216630 [2,0,0,0,0,0|2,0,0]=4 1459 B11R0.174 CCCC(C)CNCC(O)CC 2230a_100011218483_100011216630 [2,0,0,0,0,0|2,0,0]=4 1460 B11R0.174 CCCC(C)CNCC(O)CC 270004a_100011218483_100000243154 [2,0,0,0,0,0|2,0,0]=4 1461 B11R0.174 CCCC(C)CNC[C@@H](F)CO 270004a_100015665980_100000243154 [2,0,0,0,0,0|2,0,0]=4 1462 B11R0.174 CCCC(C)CNC[C@@H](F)CO 34a_100015665980_100011216630 [2,0,0,0,0,0|2,0,0]=4 1463 B11R0.174 CCCC(C)CNC[C@H](O)CO 2230a_100020644852_100011216630 [2,0,0,0,0,0|1,0,0]=3 1464 B11R0.174 CCCC(C)COCC(C)CC 34a_100000688023_100000748023 [2,0,0,0,0,0|2,0,0]=4 1465 B11R0.174 CCCC(C)COCC(C)CC 7a_100000688023_100000748023 [2,0,0,0,0,0|2,0,0]=4 1466 B11R0.174 CCCC(C)COCC(C)CN 34a_100000744482_100011216630 [2,0,0,0,0,0|2,0,0]=4 1467 B11R0.174 CCCC(C)COCC(Cl)CCl 34a_100000033668_100011216630 [2,0,0,0,0,0|2,0,0]=4 1468 B11R0.174 CCCC(C)COCC(O)CC 34a_100000688023_100011218378 [2,0,0,0,0,0|1,0,0]=3 1469 B11R0.174 CCCC(C)COCC(O)CC 7a_100000688023_100011218378 [2,0,0,0,0,0|1,0,0]=3 1470 B11R0.174 CCCC(C)COCC(O)CO 34a_100000688023_100011219619 [2,0,0,0,0,0|0,0,0]=2 1471 B11R0.174 CCCC(C)COCC(O)CO 7a_100000688023_100011219619 [2,0,0,0,0,0|0,0,0]=2 1472 B11R0.174 CCCC(C)COC[C@@H](C)CC 34a_100000688023_100009816398 [2,0,0,0,0,0|2,0,0]=4 1473 B11R0.174 CCCC(C)COC[C@@H](C)CC 7a_100000688023_100009816398 [2,0,0,0,0,0|2,0,0]=4 1474 B11R0.174 CCCC(C)COC[C@@H](C)CC 7a_100009816381_100011216630 [2,0,0,0,0,0|2,0,0]=4 1475 B11R0.174 CCCC(C)COC[C@@H](C)CO 34a_100000688023_100000059175 [2,0,0,0,0,0|1,0,0]=3 1476 B11R0.174 CCCC(C)COC[C@@H](C)CO 7a_100000688023_100000059175 [2,0,0,0,0,0|1,0,0]=3 1477 B11R0.174 CCCC(C)COC[C@@H](O)CF 34a_100000688023_100015614560 [2,0,0,0,0,0|1,0,0]=3 1478 B11R0.174 CCCC(C)COC[C@@H](O)CF 7a_100000688023_100015614560 [2,0,0,0,0,0|1,0,0]=3 1479 B11R0.174 CCCC(C)COC[C@@H](O)CO 34a_100000688023_100009815848 [2,0,0,0,0,0|0,0,0]=2 1480 B11R0.174 CCCC(C)COC[C@@H](O)CO 7a_100000688023_100009815848 [2,0,0,0,0,0|0,0,0]=2 1481 B11R0.174 CCCC(C)COC[C@H](F)CN 34a_100015665980_100011216630 [2,0,0,0,0,0|2,0,0]=4 1482 B11R0.174 CCCC(C)CSCC(O)CC 62a_100011216630_100011218378 [2,0,0,0,0,0|1,1,0]=4 1483 B11R0.174 CCCC(C)CSCC(O)CC 62a_100011218378_100011216630 [2,0,0,0,0,0|1,1,0]=4 1484 B11R0.174 CCCC(C)CSCC(O)CO 62a_100011216630_100011219619 [2,0,0,0,0,0|0,1,0]=3 1485 B11R0.174 CCCC(C)CSCC(O)CO 62a_100011219619_100011216630 [2,0,0,0,0,0|0,1,0]=3 1486 B11R0.174 CCCC(C)CSC[C@@H](C)CO 62a_100000059175_100011216630 [2,0,0,0,0,0|1,1,0]=4 1487 B11R0.174 CCCC(C)CSC[C@@H](C)CO 62a_100011216630_100000059175 [2,0,0,0,0,0|1,1,0]=4 1488 B11R0.174 CCCC(C)CSC[C@@H](O)CF 62a_100011216630_100015614560 [2,0,0,0,0,0|1,1,0]=4 1489 B11R0.174 CCCC(C)CSC[C@@H](O)CF 62a_100015614560_100011216630 [2,0,0,0,0,0|1,1,0]=4 1490 B11R0.174 CCCC(C)CSC[C@@H](O)CO 62a_100009815848_100011216630 [2,0,0,0,0,0|0,1,0]=3 1491 B11R0.174 CCCC(C)CSC[C@@H](O)CO 62a_100011216630_100009815848 [2,0,0,0,0,0|0,1,0]=3 1492 B11R0.174 CCC[C@H](N)COCC(O)CC 34a_100000732646_100011218378 [2,0,0,0,0,0|2,0,0]=4 1493 B11R0.174 CCC[C@H](N)COCC(O)CO 34a_100000732646_100011219619 [2,0,0,0,0,0|1,0,0]=3 1494 B11R0.174 CCC[C@H](N)COC[C@@H](C)CO 34a_100000732646_100000059175 [2,0,0,0,0,0|2,0,0]=4 1495 B11R0.174 CCC[C@H](N)COC[C@@H](O)CF 34a_100000732646_100015614560 [2,0,0,0,0,0|2,0,0]=4 1496 B11R0.174 CCC[C@H](N)COC[C@@H](O)CO 34a_100000732646_100009815848 [2,0,0,0,0,0|1,0,0]=3 1497 B11R0.174 COCC(N)COCC(O)CO 34a_100000724102_100011219619 [2,0,0,0,0,0|2,0,0]=4 1498 B11R0.174 COCC(N)COC[C@@H](O)CO 34a_100000724102_100009815848 [2,0,0,0,0,0|2,0,0]=4 1499 B11R0.152 C#CC(CCCC)OCCCO 34a_200011217967_100000230001 [2,0,0,0,0,0|0,0,2]=4 1500 B11R0.152 C#CC(CCCC)OCCCO 7a_200011217967_100011215043 [2,0,0,0,0,0|0,0,2]=4 1501 B11R0.152 C#CCCOC(CC)CCCC 34a_100011215227_100000688953 [2,0,0,0,0,0|1,0,1]=4 1502 B11R0.152 C#CCCOC(CC)CCCC 34a_100011215631_200011216223 [2,0,0,0,0,0|1,0,1]=4 1503 B11R0.152 C#CCCOC(CC)CCCC 7a_100011215227_100000688953 [2,0,0,0,0,0|1,0,1]=4 1504 B11R0.152 C#CCOCC(CC)CCCC 34a_100000210247_100000211942 [2,0,0,0,0,0|0,0,2]=4 1505 B11R0.152 C#CCOCC(CC)CCCC 34a_100000210273_100000184674 [2,0,0,0,0,0|0,0,2]=4 1506 B11R0.152 C#CCOCC(CC)CCCC 7a_100000210273_100000038162 [2,0,0,0,0,0|0,0,2]=4 1507 B11R0.152 C=CC(CCCC)OCCCO 34a_200011215037_100000230001 [2,0,0,0,0,0|0,0,2]=4 1508 B11R0.152 C=CC(CCCC)OCCCO 7a_200011215037_100011215043 [2,0,0,0,0,0|0,0,2]=4 1509 B11R0.152 C=CCCOC(CC)CCCC 34a_100011205117_200011216223 [2,0,0,0,0,0|1,0,1]=4 1510 B11R0.152 C=CCCOC(CC)CCCC 34a_100011215227_100000754431 [2,0,0,0,0,0|1,0,1]=4 1511 B11R0.152 C=CCCOC(CC)CCCC 7a_100011215227_100000754431 [2,0,0,0,0,0|1,0,1]=4 1512 B11R0.152 C=CCOCC(CC)CCCC 34a_100000210273_100015514636 [2,0,0,0,0,0|0,0,2]=4 1513 B11R0.152 C=CCOCC(CC)CCCC 34a_200000210373_100000211942 [2,0,0,0,0,0|0,0,2]=4 1514 B11R0.152 C=CCOCC(CC)CCCC 7a_100000210273_100015514636 [2,0,0,0,0,0|0,0,2]=4 1515 B11R0.152 CCC/C=C(\CC)/COCCC 34a_200015372368_100000210303 [2,0,0,0,0,0|0,0,2]=4 1516 B11R0.152 CCC/C=C(\CC)/COCCC 7a_200015372368_100000210303 [2,0,0,0,0,0|0,0,2]=4 1517 B11R0.152 CCC/C=C(\CC)/COCCO 34a_200015372368_100000211926 [2,0,0,0,0,0|0,0,2]=4 1518 B11R0.152 CCC/C=C(\CC)/COCCO 7a_200015372368_100000211926 [2,0,0,0,0,0|0,0,2]=4 1519 B11R0.152 CCCCC(CC)CNCCC 2230a_100000209976_100000210303 [2,0,0,0,0,0|1,0,0]=3 1520 B11R0.152 CCCCC(CC)CNCCC 269862a_100020643023_100011219736 [2,0,0,0,0,0|1,0,0]=3 1521 B11R0.152 CCCCC(CC)CNCCC 270004a_100020643023_100011219736 [2,0,0,0,0,0|1,0,0]=3 1522 B11R0.152 CCCCC(CC)CNCCF 2230a_100000209976_100011217306 [2,0,0,0,0,0|2,0,0]=4 1523 B11R0.152 CCCCC(CC)CNCCF 269862a_100000724931_100011219736 [2,0,0,0,0,0|2,0,0]=4 1524 B11R0.152 CCCCC(CC)CNCCF 34a_100000724931_100000211942 [2,0,0,0,0,0|2,0,0]=4 1525 B11R0.152 CCCCC(CC)CNCCO 2230a_100000209976_100000211926 [2,0,0,0,0,0|1,0,0]=3 1526 B11R0.152 CCCCC(CC)CNCCO 2230a_100016997473_100000211942 [2,0,0,0,0,0|1,0,0]=3 1527 B11R0.152 CCCCC(CC)CNCCO 269862a_100000210304_100011219736 [2,0,0,0,0,0|1,0,0]=3 1528 B11R0.152 CCCCC(CC)CNCCO 270004a_100000210304_100011219736 [2,0,0,0,0,0|1,0,0]=3 1529 B11R0.152 CCCCC(CC)CNCCO 34a_100016990907_100000211942 [2,0,0,0,0,0|1,0,0]=3 1530 B11R0.152 CCCCC(CC)CNCOC 2230a_100000209976_100000766300 [2,0,0,0,0,0|2,0,0]=4 1531 B11R0.152 CCCCC(CC)CNCSC 2230a_100000209976_100011218213 [2,0,0,0,0,0|2,0,0]=4 1532 B11R0.152 CCCCC(CC)COCC#N 7a_100000210273_100011215382 [2,0,0,0,0,0|1,0,1]=4 1533 B11R0.152 CCCCC(CC)COCC=O 34a_100000210273_200009817547 [2,0,0,0,0,0|0,0,2]=4 1534 B11R0.152 CCCCC(CC)COCC=O 7a_100000210273_200015260668 [2,0,0,0,0,0|0,0,2]=4 1535 B11R0.152 CCCCC(CC)COCCBr 34a_100000211926_100000211942 [2,0,0,0,0,0|1,0,0]=3 1536 B11R0.152 CCCCC(CC)COCCC 34a_100000210258_100000211942 [2,0,0,0,0,0|0,0,0]=2 1537 B11R0.152 CCCCC(CC)COCCC 34a_100000210273_100000210303 [2,0,0,0,0,0|0,0,0]=2 1538 B11R0.152 CCCCC(CC)COCCC 7a_100000210273_100000210303 [2,0,0,0,0,0|0,0,0]=2 1539 B11R0.152 CCCCC(CC)COCCF 34a_100000210273_100011217306 [2,0,0,0,0,0|1,0,0]=3 1540 B11R0.152 CCCCC(CC)COCCF 7a_100000210273_100011217306 [2,0,0,0,0,0|1,0,0]=3 1541 B11R0.152 CCCCC(CC)COCCN 34a_100000210304_100000211942 [2,0,0,0,0,0|1,0,0]=3 1542 B11R0.152 CCCCC(CC)COCCO 34a_100000210273_100000211926 [2,0,0,0,0,0|0,0,0]=2 1543 B11R0.152 CCCCC(CC)COCCO 7a_100000210273_100000211926 [2,0,0,0,0,0|0,0,0]=2 1544 B11R0.152 CCCCC(CC)COCSC 34a_100000210273_100011218213 [2,0,0,0,0,0|1,0,0]=3 1545 B11R0.152 CCCCC(CC)CSCCC 62a_100000210303_100000211942 [2,0,0,0,0,0|0,1,0]=3 1546 B11R0.152 CCCCC(CC)CSCCC 62a_100000211942_100000210303 [2,0,0,0,0,0|0,1,0]=3 1547 B11R0.152 CCCCC(CC)CSCCF 62a_100000211942_100011217306 [2,0,0,0,0,0|1,1,0]=4 1548 B11R0.152 CCCCC(CC)CSCCF 62a_100011217306_100000211942 [2,0,0,0,0,0|1,1,0]=4 1549 B11R0.152 CCCCC(CC)CSCCO 62a_100000211926_100000211942 [2,0,0,0,0,0|0,1,0]=3 1550 B11R0.152 CCCCC(CC)CSCCO 62a_100000211942_100000211926 [2,0,0,0,0,0|0,1,0]=3 1551 B11R0.152 CCCCC(CC)CSCOC 62a_100000211942_100000766300 [2,0,0,0,0,0|1,1,0]=4 1552 B11R0.152 CCCCC(CC)CSCOC 62a_100000766300_100000211942 [2,0,0,0,0,0|1,1,0]=4 1553 B11R0.152 CCCCC(CC)CSCSC 62a_100000211942_100011218213 [2,0,0,0,0,0|1,1,0]=4 1554 B11R0.152 CCCCC(CC)CSCSC 62a_100011218213_100000211942 [2,0,0,0,0,0|1,1,0]=4 1555 B11R0.152 CCCCC(CC)NCCCF 270004a_100015189416_100000753412 [2,0,0,0,0,0|2,0,0]=4 1556 B11R0.152 CCCCC(CC)NCCCF 34a_100015189416_200011216223 [2,0,0,0,0,0|2,0,0]=4 1557 B11R0.152 CCCCC(CC)NCCCO 270004a_100000182051_100000753412 [2,0,0,0,0,0|1,0,0]=3 1558 B11R0.152 CCCCC(CC)OCCC#N 7a_100011215227_100000184422 [2,0,0,0,0,0|1,0,1]=4 1559 B11R0.152 CCCCC(CC)OCCCBr 34a_100011217188_200011216223 [2,0,0,0,0,0|1,0,0]=3 1560 B11R0.152 CCCCC(CC)OCCCCl 34a_100000230001_200011216223 [2,0,0,0,0,0|1,0,0]=3 1561 B11R0.152 CCCCC(CC)OCCCF 34a_100000759539_200011216223 [2,0,0,0,0,0|1,0,0]=3 1562 B11R0.152 CCCCC(CC)OCCCF 34a_100011215227_100011934791 [2,0,0,0,0,0|1,0,0]=3 1563 B11R0.152 CCCCC(CC)OCCCF 7a_100011215227_100011934791 [2,0,0,0,0,0|1,0,0]=3 1564 B11R0.152 CCCCC(CC)OCCCN 34a_100000182051_200011216223 [2,0,0,0,0,0|1,0,0]=3 1565 B11R0.152 CCCCC(CC)OCCCO 34a_100011215227_100000230001 [2,0,0,0,0,0|0,0,0]=2 1566 B11R0.152 CCCCC(CC)OCCCO 7a_100011215227_100011215043 [2,0,0,0,0,0|0,0,0]=2 1567 B11R0.152 CCCCC(CC)OCCOC 34a_100000210237_200011216223 [2,0,0,0,0,0|2,0,0]=4 1568 B11R0.152 CCCCC(CC)OCCOC 34a_100011215227_100011201679 [2,0,0,0,0,0|2,0,0]=4 1569 B11R0.152 CCCCC(CC)OCCOC 7a_100011215227_100000233755 [2,0,0,0,0,0|2,0,0]=4 1570 B11R0.152 CCCCC(CC)OCCON 34a_100000700252_200011216223 [2,0,0,0,0,0|2,0,0]=4 1571 B11R0.152 CCCCC(CC)OCCSC 34a_100000230434_200011216223 [2,0,0,0,0,0|2,0,0]=4 1572 B11R0.152 CCCCC(CC)OCCSC 34a_100011215227_100000212216 [2,0,0,0,0,0|2,0,0]=4 1573 B11R0.152 CCCCC(CC)OCCSC 7a_100000230434_200011216223 [2,0,0,0,0,0|2,0,0]=4 1574 B11R0.152 CCCCC(CC)OCCSC 7a_100011215227_100000212216 [2,0,0,0,0,0|2,0,0]=4 1575 B11R0.152 CCCCC(CC)SCCCF 62a_100011934791_200011216223 [2,0,0,0,0,0|1,1,0]=4 1576 B11R0.152 CCCCC(CC)SCCCF 62a_200011216223_100011934791 [2,0,0,0,0,0|1,1,0]=4 1577 B11R0.152 CCCCC(CC)SCCCO 62a_100011215043_200011216223 [2,0,0,0,0,0|0,1,0]=3 1578 B11R0.152 CCCCC(CC)SCCCO 62a_200011216223_100011215043 [2,0,0,0,0,0|0,1,0]=3 1579 B11R0.152 CCCCCC(CC)NCCC 270004a_100020643023_100011215316 [2,0,0,0,0,0|2,0,0]=4 1580 B11R0.152 CCCCCC(CC)OCCC 34a_100011215405_100000210303 [2,0,0,0,0,0|2,0,0]=4 1581 B11R0.152 CCCCCC(CC)OCCC 7a_100011215405_100000210303 [2,0,0,0,0,0|2,0,0]=4 1582 B11R0.152 CCCCCC(CCCC)NC 270004a_106832991635_200011218572 [2,0,0,0,0,0|2,0,0]=4 1583 B11R0.152 CCCCCN(CC)CCCC 2230a_100000207695_100000210326 [2,0,0,0,0,0|2,0,0]=4 1584 B11R0.152 CCCCCN(CC)CCCC 269982a_100000207695_100000210215 [2,0,0,0,0,0|2,0,0]=4 1585 B11R0.152 CCCCN(CC)CCCCF 2230a_100000207695_100000729493 [2,0,0,0,0,0|2,0,0]=4 1586 B11R0.152 CCCCN(CC)CCCCF 269982a_100000207695_100000729493 [2,0,0,0,0,0|2,0,0]=4 1587 B11R0.152 CCCCN(CC)CCCCO 2230a_100000207695_100000210776 [2,0,0,0,0,0|1,0,0]=3 1588 B11R0.152 CCCCN(CC)CCCCO 2230a_100011217355_100000210211 [2,0,0,0,0,0|1,0,0]=3 1589 B11R0.152 CCCCN(CC)CCCCO 2230a_200011216965_100000210202 [2,0,0,0,0,0|1,0,0]=3 1590 B11R0.152 CCCCN(CC)CCCCO 269982a_100000207695_100000210776 [2,0,0,0,0,0|1,0,0]=3 1591 B11R0.152 CCCCN(CC)CCCCO 269982a_100011217355_100000210211 [2,0,0,0,0,0|1,0,0]=3 1592 B11R0.152 CCCCN(CC)CCCCO 269982a_200011216965_100000204670 [2,0,0,0,0,0|1,0,0]=3 1593 B11R0.152 CCCCN(CF)CCCCO 269982a_200011216965_100015361967 [2,0,0,0,0,0|2,0,0]=4 1594 B11R0.152 CCCCNC(CC)CCCC 270004a_100000102301_100000753412 [2,0,0,0,0,0|2,0,0]=4 1595 B11R0.152 CCCCNC(CC)CCCC 7a_106832991798_200011216223 [2,0,0,0,0,0|2,0,0]=4 1596 B11R0.152 CCCCOC(CC)CCCC 34a_100000210227_200011216223 [2,0,0,0,0,0|1,0,0]=3 1597 B11R0.152 CCCCOC(CC)CCCC 34a_100011215227_100000210210 [2,0,0,0,0,0|1,0,0]=3 1598 B11R0.152 CCCCOC(CC)CCCC 7a_100000210227_200011216223 [2,0,0,0,0,0|1,0,0]=3 1599 B11R0.152 CCCCOC(CC)CCCC 7a_100011215227_100000210211 [2,0,0,0,0,0|1,0,0]=3 1600 B11R0.152 CCCCSC(CC)CCCC 62a_100000210211_200011216223 [2,0,0,0,0,0|1,1,0]=4 1601 B11R0.152 CCCCSC(CC)CCCC 62a_200011216223_100000210210 [2,0,0,0,0,0|1,1,0]=4 1602 B11R0.152 CCCC[C@@H](CO)NCCCO 2230a_100011934283_100000230001 [2,0,0,0,0,0|2,0,0]=4 1603 B11R0.152 CCCC[C@@H](CO)NCCCO 34a_100011934283_100000230001 [2,0,0,0,0,0|2,0,0]=4 1604 B11R0.152 CCN(CCCCO)CCOC 2230a_100000731262_100000210776 [2,0,0,0,0,0|2,0,0]=4 1605 B11R0.152 CCN(CCCCO)CCOC 2230a_100011217355_100011201679 [2,0,0,0,0,0|2,0,0]=4 1606 B11R0.152 CCN(CCCCO)CCOC 269982a_100000731262_100000210776 [2,0,0,0,0,0|2,0,0]=4 1607 B11R0.152 CCN(CCCCO)CCOC 269982a_100011217355_100000233755 [2,0,0,0,0,0|2,0,0]=4 1608 B11R0.152 CCN(CCCCO)CCSC 2230a_100011217355_100000751147 [2,0,0,0,0,0|2,0,0]=4 1609 B11R0.152 CCN(CCCCO)CCSC 269982a_100011217355_100000212216 [2,0,0,0,0,0|2,0,0]=4 1610 B11R0.152 CCN(CCCF)CCCCO 2230a_100011217355_100011934791 [2,0,0,0,0,0|2,0,0]=4 1611 B11R0.152 CCN(CCCF)CCCCO 269982a_100011217355_100011934791 [2,0,0,0,0,0|2,0,0]=4 1612 B11R0.152 CCN(CCCO)CCCCO 2230a_100011217355_100000230001 [2,0,0,0,0,0|2,0,0]=4 1613 B11R0.152 CCN(CCCO)CCCCO 269982a_100011217355_100011215043 [2,0,0,0,0,0|2,0,0]=4 1614 B11R0.152 CCOCC(CN)OCCCO 34a_102515437182_100000230001 [2,0,0,0,0,0|2,0,0]=4 1615 B11R0.152 CCOCN(CC)CCCCO 269982a_100011217355_100000739092 [2,0,0,0,0,0|2,0,0]=4 1616 B11R0.161 CCCC(CC)NCCCCO 2230a_100000747048_100000210776 [2,0,0,0,0,0|2,0,0]=4 1617 B11R0.161 CCCC(CC)NCCCCO 270004a_100000750430_100000687865 [2,0,0,0,0,0|2,0,0]=4 1618 B11R0.161 CCCC(CC)OCCCCO 34a_100000687864_100011216708 [2,0,0,0,0,0|2,0,0]=4 1619 B11R0.161 CCCC(CC)OCCCCO 7a_100000687864_100000210776 [2,0,0,0,0,0|2,0,0]=4 1620 B11R0.161 CCCC(CC)SCCCCO 62a_100000210776_100011219200 [2,0,0,0,0,0|2,0,0]=4 1621 B11R0.161 CCCC(CC)SCCCCO 62a_100011219200_100000210776 [2,0,0,0,0,0|2,0,0]=4 1622 B11R0.161 CCCCOCN(CC)CCC 2230a_100000226822_100011995733 [2,0,0,0,0,0|2,0,0]=4 1623 B11R0.161 CCCCOCN(CC)CCC 269982a_100000226822_100011995733 [2,0,0,0,0,0|2,0,0]=4 1624 B11R0.161 CCCN(CC)CCCCCO 2230a_100000226822_100000746330 [2,0,0,0,0,0|2,0,0]=4 1625 B11R0.161 CCCN(CC)CCCCCO 269982a_100000226822_100000746330 [2,0,0,0,0,0|2,0,0]=4 1626 B11R0.161 CCOC(CC)CNCCCO 2230a_100015183923_100000230001 [2,0,0,0,0,0|2,0,0]=4 1627 B11R0.161 CCOC(CC)CNCCCO 34a_100015183923_100000230001 [2,0,0,0,0,0|2,0,0]=4 1628 B11R0.45 CCCC(CC)NCCC(C)O 2230a_100000747048_100012276601 [2,0,0,0,0,0|2,0,0]=4 1629 B11R0.45 CCCC(CC)NCCC(C)O 270004a_200000755665_100000687865 [2,0,0,0,0,0|2,0,0]=4 1630 B11R0.45 CCCC(CC)OCCC(C)O 34a_100000687864_100012276601 [2,0,0,0,0,0|2,0,0]=4 1631 B11R0.45 CCCC(CC)OCCC(C)O 7a_100000687864_100012276601 [2,0,0,0,0,0|2,0,0]=4 1632 B11R0.45 CCCC(CC)SCCC(C)O 62a_100011219200_100012276601 [2,0,0,0,0,0|2,0,0]=4 1633 B11R0.45 CCCC(CC)SCCC(C)O 62a_100012276601_100011219200 [2,0,0,0,0,0|2,0,0]=4 1634 B11R0.45 CCCN(CC)CCCC(C)O 2230a_100000226822_200000718107 [2,0,0,0,0,0|2,0,0]=4 1635 B11R0.45 CCCN(CC)CCCC(C)O 269982a_100000226822_200000718107 [2,0,0,0,0,0|2,0,0]=4 1636 B11R0.45 CCOC(CC)CNCC(C)O 2230a_100015183923_100011218427 [2,0,0,0,0,0|2,0,0]=4 1637 B11R0.45 CCOC(CC)CNCC(C)O 34a_100015183923_100011218427 [2,0,0,0,0,0|2,0,0]=4 1638 B11R0.45 CCOC(CC)CNC[C@@H](C)O 2230a_100015183923_100009817552 [2,0,0,0,0,0|2,0,0]=4 1639 B11R0.45 CCOC(CC)CNC[C@@H](C)O 34a_100015183923_100009817552 [2,0,0,0,0,0|2,0,0]=4 1640 B11R0.200 C=CC(O)COCC(CC)CC 7a_100000703878_100000730141 [2,0,0,0,0,0|1,0,1]=4 1641 B11R0.200 CCC(C)COCC(CC)CC 7a_100000703878_100000748023 [2,0,0,0,0,0|2,0,0]=4 1642 B11R0.200 CCC(CC)CNCC(C)CO 269862a_100000744482_100000211137 [2,0,0,0,0,0|2,0,0]=4 1643 B11R0.200 CCC(CC)CNCC(C)CO 34a_100000744482_100011215472 [2,0,0,0,0,0|2,0,0]=4 1644 B11R0.200 CCC(CC)CNCC(O)CO 2230a_100102946423_100011219619 [2,0,0,0,0,0|1,0,0]=3 1645 B11R0.200 CCC(CC)CNC[C@@H](C)CO 2230a_100102946423_100000059175 [2,0,0,0,0,0|2,0,0]=4 1646 B11R0.200 CCC(CC)CNC[C@@H](F)CO 269862a_100015665980_100000211137 [2,0,0,0,0,0|2,0,0]=4 1647 B11R0.200 CCC(CC)CNC[C@@H](F)CO 270004a_100015665980_100000211137 [2,0,0,0,0,0|2,0,0]=4 1648 B11R0.200 CCC(CC)CNC[C@@H](F)CO 34a_100015665980_100011215472 [2,0,0,0,0,0|2,0,0]=4 1649 B11R0.200 CCC(CC)CNC[C@@H](O)CF 2230a_100102946423_100015614560 [2,0,0,0,0,0|2,0,0]=4 1650 B11R0.200 CCC(CC)CNC[C@@H](O)CO 2230a_100102946423_100009815848 [2,0,0,0,0,0|1,0,0]=3 1651 B11R0.200 CCC(CC)CNC[C@H](O)CO 2230a_100020644852_100011215472 [2,0,0,0,0,0|1,0,0]=3 1652 B11R0.200 CCC(CC)CNC[C@H](O)CO 269862a_100020644852_100000211137 [2,0,0,0,0,0|1,0,0]=3 1653 B11R0.200 CCC(CC)COCC(C)CN 34a_100000744482_100011215472 [2,0,0,0,0,0|2,0,0]=4 1654 B11R0.200 CCC(CC)COCC(Cl)CCl 34a_100000033668_100011215472 [2,0,0,0,0,0|2,0,0]=4 1655 B11R0.200 CCC(CC)COCC(O)CO 7a_100000703878_100011219619 [2,0,0,0,0,0|0,0,0]=2 1656 B11R0.200 CCC(CC)COC[C@@H](C)CC 7a_100000703878_100009816398 [2,0,0,0,0,0|2,0,0]=4 1657 B11R0.200 CCC(CC)COC[C@@H](C)CC 7a_100009816381_100011215472 [2,0,0,0,0,0|2,0,0]=4 1658 B11R0.200 CCC(CC)COC[C@@H](C)CO 7a_100000703878_100000059175 [2,0,0,0,0,0|1,0,0]=3 1659 B11R0.200 CCC(CC)COC[C@@H](O)CF 7a_100000703878_100015614560 [2,0,0,0,0,0|1,0,0]=3 1660 B11R0.200 CCC(CC)COC[C@@H](O)CO 7a_100000703878_100009815848 [2,0,0,0,0,0|0,0,0]=2 1661 B11R0.200 CCC(CC)COC[C@H](F)CN 34a_100015665980_100011215472 [2,0,0,0,0,0|2,0,0]=4 1662 B11R0.200 CCC(CC)CSCC(O)CO 62a_100011215472_100011219619 [2,0,0,0,0,0|0,1,0]=3 1663 B11R0.200 CCC(CC)CSCC(O)CO 62a_100011219619_100011215472 [2,0,0,0,0,0|0,1,0]=3 1664 B11R0.200 CCC(CC)CSC[C@@H](C)CO 62a_100000059175_100011215472 [2,0,0,0,0,0|1,1,0]=4 1665 B11R0.200 CCC(CC)CSC[C@@H](C)CO 62a_100011215472_100000059175 [2,0,0,0,0,0|1,1,0]=4 1666 B11R0.200 CCC(CC)CSC[C@@H](O)CF 62a_100011215472_100015614560 [2,0,0,0,0,0|1,1,0]=4 1667 B11R0.200 CCC(CC)CSC[C@@H](O)CF 62a_100015614560_100011215472 [2,0,0,0,0,0|1,1,0]=4 1668 B11R0.200 CCC(CC)CSC[C@@H](O)CO 62a_100009815848_100011215472 [2,0,0,0,0,0|0,1,0]=3 1669 B11R0.200 CCC(CC)CSC[C@@H](O)CO 62a_100011215472_100009815848 [2,0,0,0,0,0|0,1,0]=3 1670 B11R0.200 CCC(COCC(O)CO)OC 34a_100011934954_100011219619 [2,0,0,0,0,0|1,0,0]=3 1671 B11R0.200 CCC(COCC(O)CO)OC 7a_100011934954_100011219619 [2,0,0,0,0,0|1,0,0]=3 1672 B11R0.200 CCC(COC[C@@H](C)CO)OC 34a_100011934954_100000059175 [2,0,0,0,0,0|2,0,0]=4 1673 B11R0.200 CCC(COC[C@@H](C)CO)OC 7a_100011934954_100000059175 [2,0,0,0,0,0|2,0,0]=4 1674 B11R0.200 CCC(COC[C@@H](O)CF)OC 34a_100011934954_100015614560 [2,0,0,0,0,0|2,0,0]=4 1675 B11R0.200 CCC(COC[C@@H](O)CF)OC 7a_100011934954_100015614560 [2,0,0,0,0,0|2,0,0]=4 1676 B11R0.200 CCC(COC[C@@H](O)CO)OC 34a_100011934954_100009815848 [2,0,0,0,0,0|1,0,0]=3 1677 B11R0.200 CCC(COC[C@@H](O)CO)OC 7a_100011934954_100009815848 [2,0,0,0,0,0|1,0,0]=3 1678 B11R0.200 CCC(O)CNCC(CC)CC 2230a_100011218483_100011215472 [2,0,0,0,0,0|2,0,0]=4 1679 B11R0.200 CCC(O)CNCC(CC)CC 2230a_100102946423_100011218378 [2,0,0,0,0,0|2,0,0]=4 1680 B11R0.200 CCC(O)CNCC(CC)CC 269862a_100011218483_100000211137 [2,0,0,0,0,0|2,0,0]=4 1681 B11R0.200 CCC(O)CNCC(CC)CC 270004a_100011218483_100000211137 [2,0,0,0,0,0|2,0,0]=4 1682 B11R0.200 CCC(O)COCC(CC)CC 7a_100000703878_100011218378 [2,0,0,0,0,0|1,0,0]=3 1683 B11R0.200 CCC(O)COCC(CC)OC 34a_100011934954_100011218378 [2,0,0,0,0,0|2,0,0]=4 1684 B11R0.200 CCC(O)COCC(CC)OC 7a_100011934954_100011218378 [2,0,0,0,0,0|2,0,0]=4 1685 B11R0.200 CCC(O)COCN(CC)CC 7a_200015374951_100011218378 [2,0,0,0,0,0|2,0,0]=4 1686 B11R0.200 CCC(O)CSCC(CC)CC 62a_100011215472_100011218378 [2,0,0,0,0,0|1,1,0]=4 1687 B11R0.200 CCC(O)CSCC(CC)CC 62a_100011218378_100011215472 [2,0,0,0,0,0|1,1,0]=4 1688 B11R0.200 CCN(CC)COCC(O)CO 7a_200015374951_100011219619 [2,0,0,0,0,0|1,0,0]=3 1689 B11R0.200 CCN(CC)COC[C@@H](C)CO 7a_200015374951_100000059175 [2,0,0,0,0,0|2,0,0]=4 1690 B11R0.200 CCN(CC)COC[C@@H](O)CF 7a_200015374951_100015614560 [2,0,0,0,0,0|2,0,0]=4 1691 B11R0.200 CCN(CC)COC[C@@H](O)CO 7a_200015374951_100009815848 [2,0,0,0,0,0|1,0,0]=3 1692 B11R0.200 COC(COCC(O)CO)OC 34a_100011216393_100011219619 [2,0,0,0,0,0|2,0,0]=4 1693 B11R0.200 COC(COC[C@@H](O)CO)OC 34a_100011216393_100009815848 [2,0,0,0,0,0|2,0,0]=4 1694 B13R0.3 CCCCC(C)COCC(CC)CC 34a_100011995851_100011215472 [1,1,0,0,0,0|2,0,0]=4 1695 B13R0.3 CCCCC(C)COCC(CC)CC 7a_100011995851_100011215472 [1,1,0,0,0,0|2,0,0]=4 1696 B13R0.3 CCCCC(C)COCC(OC)OC 34a_100011995851_100000211822 [1,1,0,0,0,0|2,0,0]=4 1697 B13R0.3 CCCCC(C)COCC(OC)OC 7a_100011995851_100000751394 [1,1,0,0,0,0|2,0,0]=4 1698 B13R0.40 CCCCC(C)C(=O)NC[C@H](O)CO 240690a_100020644852_100000725509 [1,1,0,0,0,0|1,0,1]=4 1699 B13R0.40 CCCCC(C)C(=O)NC[C@H](O)CO 527a_100020644852_100000725509 [1,1,0,0,0,0|1,0,1]=4 1700 B13R0.175 CCCCC(C)COCC(=O)NCO 34a_100011995851_100000185155 [1,1,0,0,0,0|0,0,2]=4 1701 B13R0.175 CCCCC(C)COCC(=O)NCO 7a_100011995851_100000185155 [1,1,0,0,0,0|0,0,2]=4 1702 B13R0.175 CCCCC(C)COCC(C)CCC 34a_100011995851_100011216630 [1,1,0,0,0,0|2,0,0]=4 1703 B13R0.175 CCCCC(C)COCC(C)CCC 7a_100011995851_100011216630 [1,1,0,0,0,0|2,0,0]=4 1704 B13R0.175 CCCCC(C)COCC(O)COC 34a_100011995851_100011215053 [1,1,0,0,0,0|0,0,0]=2 1705 B13R0.175 CCCCC(C)COCC(O)COC 7a_100011995851_100011215053 [1,1,0,0,0,0|0,0,0]=2 1706 B13R0.175 CCCCC(C)COC[C@@H](O)CC#N 7a_100011995851_100000001066 [1,1,0,0,0,0|1,0,0]=3 1707 B13R0.175 CCCC[C@H](N)COCC(O)COC 34a_100011934283_100011215053 [1,1,0,0,0,0|1,0,0]=3 1708 B13R0.175 CCCOC(C)CNCC(O)COC 34a_100015185124_100011215053 [1,1,0,0,0,0|2,0,0]=4 1709 B13R0.175 COCC(O)CNC[C@H](C)CCCO 34a_100160569302_100011215053 [1,1,0,0,0,0|2,0,0]=4 1710 B13R0.175 COCC(O)COC[C@@H](N)CCSC 34a_100011827619_100011215053 [1,1,0,0,0,0|2,0,0]=4 1711 B13R0.175 COCO[C@H](C)COCC(O)COC 34a_100016172286_100011215053 [1,1,0,0,0,0|2,0,0]=4 1712 B13R0.175 COCO[C@H](C)COCC(O)COC 7a_100016172286_100011215053 [1,1,0,0,0,0|2,0,0]=4 1713 B13R0.194 CCC(O)COC[C@@H](N)CCCCN 34a_100016993712_100011218378 [1,1,0,0,0,0|2,0,0]=4 1714 B13R0.194 C[C@@H](CO)COC[C@@H](N)CCCCN 34a_100016993712_100000059175 [1,1,0,0,0,0|2,0,0]=4 1715 B13R0.194 NCCCC[C@H](N)COCC(O)CO 34a_100016993712_100011219619 [1,1,0,0,0,0|1,0,0]=3 1716 B13R0.194 NCCCC[C@H](N)COC[C@@H](O)CF 34a_100016993712_100015614560 [1,1,0,0,0,0|2,0,0]=4 1717 B13R0.194 NCCCC[C@H](N)COC[C@@H](O)CO 34a_100016993712_100009815848 [1,1,0,0,0,0|1,0,0]=3 1718 B13R0.462 C=CC(O)COCC(C)(C)CCCC 7a_200011995781_100000730141 [1,1,0,0,0,0|1,0,1]=4 1719 B13R0.462 CCCCC(C)(C)COCC(C)CC 7a_200011995781_100000748023 [1,1,0,0,0,0|2,0,0]=4 1720 B13R0.462 CCCCC(C)(C)COCC(O)CC 7a_200011995781_100011218378 [1,1,0,0,0,0|1,0,0]=3 1721 B13R0.462 CCCCC(C)(C)COCC(O)CO 7a_200011995781_100011219619 [1,1,0,0,0,0|0,0,0]=2 1722 B13R0.462 CCCCC(C)(C)COC[C@@H](C)CC 7a_200011995781_100009816398 [1,1,0,0,0,0|2,0,0]=4 1723 B13R0.462 CCCCC(C)(C)COC[C@@H](C)CO 7a_200011995781_100000059175 [1,1,0,0,0,0|1,0,0]=3 1724 B13R0.462 CCCCC(C)(C)COC[C@@H](O)CF 7a_200011995781_100015614560 [1,1,0,0,0,0|1,0,0]=3 1725 B13R0.462 CCCCC(C)(C)COC[C@@H](O)CO 7a_200011995781_100009815848 [1,1,0,0,0,0|0,0,0]=2 1726 B13R0.462 CCCC[Si](C)(C)CSCC(O)CO 62a_100011219619_200000073895 [1,1,0,0,0,0|0,2,0]=4 1727 B13R0.462 CCCC[Si](C)(C)CSCC(O)CO 62a_200000073895_100011219619 [1,1,0,0,0,0|0,2,0]=4 1728 B13R0.462 CCCC[Si](C)(C)CSC[C@@H](O)CO 62a_100009815848_200000073895 [1,1,0,0,0,0|0,2,0]=4 1729 B13R0.462 CCCC[Si](C)(C)CSC[C@@H](O)CO 62a_200000073895_100009815848 [1,1,0,0,0,0|0,2,0]=4 1730 B13R0.685 CCCCC(C)COCC(C)(C)CO 34a_100011995851_100009813988 [1,1,0,0,0,0|1,0,0]=3 1731 B13R0.685 CCCCC(C)COCC(C)(C)CO 7a_100011995851_100009813988 [1,1,0,0,0,0|1,0,0]=3 1732 B13R0.685 CCCC[C@H](N)COCC(C)(C)CO 34a_100011934283_100009813988 [1,1,0,0,0,0|2,0,0]=4 1733 B13R0.59 CCCC(C)C(CC)OCCCCO 34a_200011218412_100011216708 [1,1,0,0,0,0|2,0,0]=4 1734 B13R0.59 CCCC(C)C(CC)OCCCCO 7a_200011218412_100000210776 [1,1,0,0,0,0|2,0,0]=4 1735 B13R0.114 CCCCC(=O)CC(CC)CCCC 1458a_100000210183_100000211942 [1,1,0,0,0,0|2,0,0]=4 1736 B13R0.114 CCCCC(CC)CC(C)OCCO 7a_200011290772_100000211926 [1,1,0,0,0,0|2,0,0]=4 1737 B13R0.114 CCCCC(CC)CN(C)CCCC 2230a_100000207549_100000211942 [1,1,0,0,0,0|2,0,0]=4 1738 B13R0.114 CCCCC(CC)CN(C)CCCC 269982a_100000207549_100000211942 [1,1,0,0,0,0|2,0,0]=4 1739 B13R0.114 CCCCC(CC)CN(C)CCCC 270004a_100000207549_100011219736 [1,1,0,0,0,0|2,0,0]=4 1740 B13R0.114 CCCCC(CC)CN(C)CCCO 2230a_100000213112_100000211942 [1,1,0,0,0,0|1,0,0]=3 1741 B13R0.114 CCCCC(CC)CN(C)CCCO 269982a_100000213112_100000211942 [1,1,0,0,0,0|1,0,0]=3 1742 B13R0.114 CCCCC(CC)CN(C)CCCO 270004a_100000213112_100011219736 [1,1,0,0,0,0|1,0,0]=3 1743 B13R0.143 CCCCC(NCCCCO)C(C)C 270004a_100000750430_200011215219 [1,1,0,0,0,0|2,0,0]=4 1744 B13R0.143 CCCCN(CCCCCO)C(C)C 2230a_100000207398_100000746330 [1,1,0,0,0,0|2,0,0]=4 1745 B13R0.143 CCCCN(CCCCCO)C(C)C 2230a_100011629493_100000210211 [1,1,0,0,0,0|2,0,0]=4 1746 B13R0.143 CCCCN(CCCCCO)C(C)C 269982a_100000207398_100000746330 [1,1,0,0,0,0|2,0,0]=4 1747 B13R0.143 CCCCN(CCCCCO)C(C)C 269982a_100011629493_100000210211 [1,1,0,0,0,0|2,0,0]=4 1748 B13R0.143 CCCCN(CCCCCO)C(C)C 34a_100011629493_100000210210 [1,1,0,0,0,0|2,0,0]=4 1749 B13R0.143 CCCCOCN(CCCC)C(C)C 2230a_100000207398_100011995733 [1,1,0,0,0,0|2,0,0]=4 1750 B13R0.143 CCCCOCN(CCCC)C(C)C 269982a_100000207398_100011995733 [1,1,0,0,0,0|2,0,0]=4 1751 B13R0.272 C#CCCCNCC(CC)CCCC 2230a_100000209976_100000731252 [1,1,0,0,0,0|2,0,0]=4 1752 B13R0.272 C#CCCCNCC(CC)CCCC 270004a_100000718082_100011219736 [1,1,0,0,0,0|2,0,0]=4 1753 B13R0.272 C#CCCCNCC(CC)CCCC 34a_100000718082_100000211942 [1,1,0,0,0,0|2,0,0]=4 1754 B13R0.272 C#CCCCOCC(CC)CCCC 34a_100000210273_100000695029 [1,1,0,0,0,0|1,0,0]=3 1755 B13R0.272 C#CCCCOCC(CC)CCCC 34a_100000215630_100000211942 [1,1,0,0,0,0|1,0,0]=3 1756 B13R0.272 C#CCCCOCC(CC)CCCC 7a_100000210273_100011215417 [1,1,0,0,0,0|1,0,0]=3 1757 B13R0.272 C#CCCCOCC(CC)CCCC 7a_100000215630_100000211942 [1,1,0,0,0,0|1,0,0]=3 1758 B13R0.272 C#CCCCSCC(CC)CCCC 62a_100000211942_100011215417 [1,1,0,0,0,0|1,1,0]=4 1759 B13R0.272 C#CCCCSCC(CC)CCCC 62a_100011215417_100000211942 [1,1,0,0,0,0|1,1,0]=4 1760 B13R0.272 C/C=C/CCOCC(CC)CCCC 34a_100016278192_100000211942 [1,1,0,0,0,0|1,0,1]=4 1761 B13R0.272 C=CCCCNCC(CC)CCCC 2230a_100000209976_100011713584 [1,1,0,0,0,0|2,0,0]=4 1762 B13R0.272 C=CCCCNCC(CC)CCCC 2230a_100000700776_100000211942 [1,1,0,0,0,0|2,0,0]=4 1763 B13R0.272 C=CCCCNCC(CC)CCCC 269862a_100000700776_100011219736 [1,1,0,0,0,0|2,0,0]=4 1764 B13R0.272 C=CCCCNCC(CC)CCCC 270004a_100000700776_100011219736 [1,1,0,0,0,0|2,0,0]=4 1765 B13R0.272 C=CCCCNCC(CC)CCCC 34a_100000700776_100000211942 [1,1,0,0,0,0|2,0,0]=4 1766 B13R0.272 C=CCCCOCC(CC)CCCC 34a_100000210273_100000757094 [1,1,0,0,0,0|1,0,0]=3 1767 B13R0.272 C=CCCCOCC(CC)CCCC 34a_100000758997_100000211942 [1,1,0,0,0,0|1,0,0]=3 1768 B13R0.272 C=CCCCOCC(CC)CCCC 7a_100000210273_100000757094 [1,1,0,0,0,0|1,0,0]=3 1769 B13R0.272 C=CCCCOCC(CC)CCCC 7a_100000758997_100000211942 [1,1,0,0,0,0|1,0,0]=3 1770 B13R0.272 C=CCCCSCC(CC)CCCC 62a_100000211942_100000757094 [1,1,0,0,0,0|1,1,0]=4 1771 B13R0.272 C=CCCCSCC(CC)CCCC 62a_100011713584_100000211942 [1,1,0,0,0,0|1,1,0]=4 1772 B13R0.272 C=COCCOCC(CC)CCCC 34a_100000033082_100000211942 [1,1,0,0,0,0|1,0,1]=4 1773 B13R0.272 C=COCCOCC(CC)CCCC 34a_100000210273_100000039644 [1,1,0,0,0,0|1,0,1]=4 1774 B13R0.272 C=COCCOCC(CC)CCCC 7a_100000210273_100000039644 [1,1,0,0,0,0|1,0,1]=4 1775 B13R0.272 CC#CCCOCC(CC)CCCC 34a_100000750427_100000211942 [1,1,0,0,0,0|1,0,1]=4 1776 B13R0.272 CC/C=C\COCC(CC)CCCC 34a_100000210273_100103147603 [1,1,0,0,0,0|1,0,1]=4 1777 B13R0.272 CC/C=C\COCC(CC)CCCC 34a_100016268518_100000211942 [1,1,0,0,0,0|1,0,1]=4 1778 B13R0.272 CC/C=C\COCC(CC)CCCC 7a_100000210273_100103147603 [1,1,0,0,0,0|1,0,1]=4 1779 B13R0.272 CCC#CCOCC(CC)CCCC 34a_100000032950_100000211942 [1,1,0,0,0,0|1,0,1]=4 1780 B13R0.272 CCC#CCOCC(CC)CCCC 34a_100000210273_100009813939 [1,1,0,0,0,0|1,0,1]=4 1781 B13R0.272 CCC#CCOCC(CC)CCCC 7a_100000210273_100009813939 [1,1,0,0,0,0|1,0,1]=4 1782 B13R0.272 CCC/C=C(\CC)/COCCCCO 34a_200015372368_100011216708 [1,1,0,0,0,0|0,0,2]=4 1783 B13R0.272 CCC/C=C(\CC)/COCCCCO 7a_200015372368_100000210776 [1,1,0,0,0,0|0,0,2]=4 1784 B13R0.272 CCC/C=C(\CC)/COCCCOC 34a_200015372368_100000740836 [1,1,0,0,0,0|0,0,2]=4 1785 B13R0.272 CCC/C=C(\CC)/COCCCOC 7a_200015372368_100000740836 [1,1,0,0,0,0|0,0,2]=4 1786 B13R0.272 CCCCC(CC)CCCCNCC 2230a_100015525214_200012094884 [1,1,0,0,0,0|2,0,0]=4 1787 B13R0.272 CCCCC(CC)CCCCOCC 34a_100121572206_200012094884 [1,1,0,0,0,0|2,0,0]=4 1788 B13R0.272 CCCCC(CC)CNCC#CCO 2230a_100000209976_200000047223 [1,1,0,0,0,0|1,0,1]=4 1789 B13R0.272 CCCCC(CC)CNCCCC#N 2230a_100000209976_100000687738 [1,1,0,0,0,0|2,0,0]=4 1790 B13R0.272 CCCCC(CC)CNCCCC=O 2230a_100000209976_200011292268 [1,1,0,0,0,0|1,0,1]=4 1791 B13R0.272 CCCCC(CC)CNCCCCF 2230a_100000209976_100000729493 [1,1,0,0,0,0|2,0,0]=4 1792 B13R0.272 CCCCC(CC)CNCCCCO 2230a_100000209976_100000210776 [1,1,0,0,0,0|1,0,0]=3 1793 B13R0.272 CCCCC(CC)CNCCCCO 2230a_100000750430_100000211942 [1,1,0,0,0,0|1,0,0]=3 1794 B13R0.272 CCCCC(CC)CNCCCCO 269862a_100000750430_100011219736 [1,1,0,0,0,0|1,0,0]=3 1795 B13R0.272 CCCCC(CC)CNCCCCO 270004a_100000750430_100011219736 [1,1,0,0,0,0|1,0,0]=3 1796 B13R0.272 CCCCC(CC)CNCCCCO 34a_100000750430_100000211942 [1,1,0,0,0,0|1,0,0]=3 1797 B13R0.272 CCCCC(CC)CNCCCOC 2230a_100000209976_100000740836 [1,1,0,0,0,0|1,0,0]=3 1798 B13R0.272 CCCCC(CC)CNCCCOC 269862a_100150723488_100011219736 [1,1,0,0,0,0|1,0,0]=3 1799 B13R0.272 CCCCC(CC)CNCCCOC 270004a_100150723488_100011219736 [1,1,0,0,0,0|1,0,0]=3 1800 B13R0.272 CCCCC(CC)CNCCCOC 34a_100150723488_100000211942 [1,1,0,0,0,0|1,0,0]=3 1801 B13R0.272 CCCCC(CC)CNCCCSC 2230a_100000749238_100000211942 [1,1,0,0,0,0|1,1,0]=4 1802 B13R0.272 CCCCC(CC)CNCCCSC 269862a_100000749238_100011219736 [1,1,0,0,0,0|1,1,0]=4 1803 B13R0.272 CCCCC(CC)CNCCCSC 270004a_100000749238_100011219736 [1,1,0,0,0,0|1,1,0]=4 1804 B13R0.272 CCCCC(CC)CNCCOCC 2230a_100000209976_100011215890 [1,1,0,0,0,0|2,0,0]=4 1805 B13R0.272 CCCCC(CC)CNCCOCC 2230a_102516460346_100000211942 [1,1,0,0,0,0|2,0,0]=4 1806 B13R0.272 CCCCC(CC)CNCCOCC 269862a_100011200944_100011219736 [1,1,0,0,0,0|2,0,0]=4 1807 B13R0.272 CCCCC(CC)CNCCOCC 270004a_102516460346_100011219736 [1,1,0,0,0,0|2,0,0]=4 1808 B13R0.272 CCCCC(CC)CNCCOCC 34a_102516460346_100000211942 [1,1,0,0,0,0|2,0,0]=4 1809 B13R0.272 CCCCC(CC)CNCCSCC 2230a_100000106463_100000211942 [1,1,0,0,0,0|2,0,0]=4 1810 B13R0.272 CCCCC(CC)CNCCSCC 2230a_100000209976_100000757381 [1,1,0,0,0,0|2,0,0]=4 1811 B13R0.272 CCCCC(CC)CNCCSCC 269862a_100000106463_100011219736 [1,1,0,0,0,0|2,0,0]=4 1812 B13R0.272 CCCCC(CC)CNCCSCC 270004a_100000106463_100011219736 [1,1,0,0,0,0|2,0,0]=4 1813 B13R0.272 CCCCC(CC)COCC#CCCl 34a_200000047223_100000211942 [1,1,0,0,0,0|1,0,1]=4 1814 B13R0.272 CCCCC(CC)COCC#CCO 34a_100000210273_200000047223 [1,1,0,0,0,0|0,0,1]=3 1815 B13R0.272 CCCCC(CC)COCC#CCO 7a_100000210273_200000047223 [1,1,0,0,0,0|0,0,1]=3 1816 B13R0.272 CCCCC(CC)COCCCC#N 7a_100000210273_100000687738 [1,1,0,0,0,0|1,0,0]=3 1817 B13R0.272 CCCCC(CC)COCCCC=O 7a_100000210273_200011292268 [1,1,0,0,0,0|0,0,1]=3 1818 B13R0.272 CCCCC(CC)COCCCCBr 34a_100011216708_100000211942 [1,1,0,0,0,0|1,0,0]=3 1819 B13R0.272 CCCCC(CC)COCCCCCl 34a_100000210776_100000211942 [1,1,0,0,0,0|1,0,0]=3 1820 B13R0.272 CCCCC(CC)COCCCCCl 7a_100000210776_100000211942 [1,1,0,0,0,0|1,0,0]=3 1821 B13R0.272 CCCCC(CC)COCCCCF 34a_100000210273_100000729493 [1,1,0,0,0,0|1,0,0]=3 1822 B13R0.272 CCCCC(CC)COCCCCF 34a_100011995726_100000211942 [1,1,0,0,0,0|1,0,0]=3 1823 B13R0.272 CCCCC(CC)COCCCCF 7a_100000210273_100000729493 [1,1,0,0,0,0|1,0,0]=3 1824 B13R0.272 CCCCC(CC)COCCCCF 7a_100011995726_100000211942 [1,1,0,0,0,0|1,0,0]=3 1825 B13R0.272 CCCCC(CC)COCCCCI 34a_200012148704_100000211942 [1,1,0,0,0,0|1,0,0]=3 1826 B13R0.272 CCCCC(CC)COCCCCN 34a_100000750430_100000211942 [1,1,0,0,0,0|1,0,0]=3 1827 B13R0.272 CCCCC(CC)COCCCCO 34a_100000210273_100011216708 [1,1,0,0,0,0|0,0,0]=2 1828 B13R0.272 CCCCC(CC)COCCCCO 7a_100000210273_100000210776 [1,1,0,0,0,0|0,0,0]=2 1829 B13R0.272 CCCCC(CC)COCCCNC 2230a_200011218343_200000210301 [1,1,0,0,0,0|1,0,0]=3 1830 B13R0.272 CCCCC(CC)COCCCNC 34a_100000213112_100000211942 [1,1,0,0,0,0|1,0,0]=3 1831 B13R0.272 CCCCC(CC)COCCCN[13CH3] 2230a_200011218343_200025704644 [1,1,0,0,0,0|1,0,0]=3 1832 B13R0.272 CCCCC(CC)COCCCOC 34a_100000210273_100000740836 [1,1,0,0,0,0|0,0,0]=2 1833 B13R0.272 CCCCC(CC)COCCCOC 34a_100000740835_100000211942 [1,1,0,0,0,0|0,0,0]=2 1834 B13R0.272 CCCCC(CC)COCCCOC 7a_100000210273_100000740836 [1,1,0,0,0,0|0,0,0]=2 1835 B13R0.272 CCCCC(CC)COCCCSC 34a_100000690336_100000211942 [1,1,0,0,0,0|0,1,0]=3 1836 B13R0.272 CCCCC(CC)COCCCSC 7a_100000690336_100000211942 [1,1,0,0,0,0|0,1,0]=3 1837 B13R0.272 CCCCC(CC)COCCOCC 34a_100000210136_100000211942 [1,1,0,0,0,0|1,0,0]=3 1838 B13R0.272 CCCCC(CC)COCCOCC 34a_100000210273_100000210147 [1,1,0,0,0,0|1,0,0]=3 1839 B13R0.272 CCCCC(CC)COCCOCC 7a_100000210136_100000211942 [1,1,0,0,0,0|1,0,0]=3 1840 B13R0.272 CCCCC(CC)COCCOCC 7a_100000210273_100011215890 [1,1,0,0,0,0|1,0,0]=3 1841 B13R0.272 CCCCC(CC)COCCSCC 34a_100000210273_100000757381 [1,1,0,0,0,0|1,0,0]=3 1842 B13R0.272 CCCCC(CC)COCCSCC 34a_100000212035_100000211942 [1,1,0,0,0,0|1,0,0]=3 1843 B13R0.272 CCCCC(CC)COCCSCC 7a_100000210273_100000757381 [1,1,0,0,0,0|1,0,0]=3 1844 B13R0.272 CCCCC(CC)COCCSCC 7a_100000212035_100000211942 [1,1,0,0,0,0|1,0,0]=3 1845 B13R0.272 CCCCC(CC)CSCC#CCO 62a_100000211942_200000047223 [1,1,0,0,0,0|0,1,1]=4 1846 B13R0.272 CCCCC(CC)CSCC#CCO 62a_200000047223_100000211942 [1,1,0,0,0,0|0,1,1]=4 1847 B13R0.272 CCCCC(CC)CSCCCC#N 62a_100000211942_100000687738 [1,1,0,0,0,0|1,1,0]=4 1848 B13R0.272 CCCCC(CC)CSCCCC#N 62a_100000687738_100000211942 [1,1,0,0,0,0|1,1,0]=4 1849 B13R0.272 CCCCC(CC)CSCCCC=O 62a_100000211942_200011292268 [1,1,0,0,0,0|0,1,1]=4 1850 B13R0.272 CCCCC(CC)CSCCCC=O 62a_200011292268_100000211942 [1,1,0,0,0,0|0,1,1]=4 1851 B13R0.272 CCCCC(CC)CSCCCCF 62a_100000211942_100000729493 [1,1,0,0,0,0|1,1,0]=4 1852 B13R0.272 CCCCC(CC)CSCCCCF 62a_100000729493_100000211942 [1,1,0,0,0,0|1,1,0]=4 1853 B13R0.272 CCCCC(CC)CSCCCCO 62a_100000210776_100000211942 [1,1,0,0,0,0|0,1,0]=3 1854 B13R0.272 CCCCC(CC)CSCCCCO 62a_100000211942_100000210776 [1,1,0,0,0,0|0,1,0]=3 1855 B13R0.272 CCCCC(CC)CSCCCOC 62a_100000211942_100000709357 [1,1,0,0,0,0|0,1,0]=3 1856 B13R0.272 CCCCC(CC)CSCCCOC 62a_100000709357_100000211942 [1,1,0,0,0,0|0,1,0]=3 1857 B13R0.272 CCCCC(CC)CSCCOCC 62a_100000210147_100000211942 [1,1,0,0,0,0|1,1,0]=4 1858 B13R0.272 CCCCC(CC)CSCCOCC 62a_100000211942_100011215890 [1,1,0,0,0,0|1,1,0]=4 1859 B13R0.272 CCCCC(CC)CSCCSCC 62a_100000211942_100000757381 [1,1,0,0,0,0|1,1,0]=4 1860 B13R0.272 CCCCC(CC)CSCCSCC 62a_100000757381_100000211942 [1,1,0,0,0,0|1,1,0]=4 1861 B13R0.272 CCCCC(CC)NCCCCCO 270004a_100000762737_100000753412 [1,1,0,0,0,0|1,0,0]=3 1862 B13R0.272 CCCCC(CC)NCCCCCO 34a_100000762737_200011216223 [1,1,0,0,0,0|1,0,0]=3 1863 B13R0.272 CCCCC(CC)NCCOCCO 270004a_100000211614_100000753412 [1,1,0,0,0,0|2,0,0]=4 1864 B13R0.272 CCCCC(CC)NCCOCCO 34a_100000211614_200011216223 [1,1,0,0,0,0|2,0,0]=4 1865 B13R0.272 CCCCC(CC)NCCSCCO 270004a_100011219999_100000753412 [1,1,0,0,0,0|2,0,0]=4 1866 B13R0.272 CCCCC(CC)OCCCCCBr 34a_100000746331_200011216223 [1,1,0,0,0,0|2,0,0]=4 1867 B13R0.272 CCCCC(CC)OCCCCCBr 7a_100000746331_200011216223 [1,1,0,0,0,0|2,0,0]=4 1868 B13R0.272 CCCCC(CC)OCCCCCCl 34a_100000746330_200011216223 [1,1,0,0,0,0|2,0,0]=4 1869 B13R0.272 CCCCC(CC)OCCCCCCl 7a_100000746330_200011216223 [1,1,0,0,0,0|2,0,0]=4 1870 B13R0.272 CCCCC(CC)OCCCCCF 34a_100011215227_100000729378 [1,1,0,0,0,0|2,0,0]=4 1871 B13R0.272 CCCCC(CC)OCCCCCF 7a_100011215227_100000729378 [1,1,0,0,0,0|2,0,0]=4 1872 B13R0.272 CCCCC(CC)OCCCCCI 34a_200012148887_200011216223 [1,1,0,0,0,0|2,0,0]=4 1873 B13R0.272 CCCCC(CC)OCCCCCI 7a_200012148887_200011216223 [1,1,0,0,0,0|2,0,0]=4 1874 B13R0.272 CCCCC(CC)OCCCCCN 34a_100000762737_200011216223 [1,1,0,0,0,0|2,0,0]=4 1875 B13R0.272 CCCCC(CC)OCCCCCO 34a_100011215227_100000746330 [1,1,0,0,0,0|1,0,0]=3 1876 B13R0.272 CCCCC(CC)OCCCCCO 7a_100011215227_100000746330 [1,1,0,0,0,0|1,0,0]=3 1877 B13R0.272 CCCCC(CC)OCCCCOC 34a_100000740925_200011216223 [1,1,0,0,0,0|2,0,0]=4 1878 B13R0.272 CCCCC(CC)OCCCCOC 34a_100011215227_100000755781 [1,1,0,0,0,0|2,0,0]=4 1879 B13R0.272 CCCCC(CC)OCCCCOC 7a_100011215227_100000730899 [1,1,0,0,0,0|2,0,0]=4 1880 B13R0.272 CCCCC(CC)OCCOCCO 34a_100011215227_100000692535 [1,1,0,0,0,0|2,0,0]=4 1881 B13R0.272 CCCCC(CC)OCCOCCO 7a_100011215227_100011215305 [1,1,0,0,0,0|2,0,0]=4 1882 B13R0.272 CCCCC(CC)SCCCCCF 62a_100000729378_200011216223 [1,1,0,0,0,0|2,0,0]=4 1883 B13R0.272 CCCCC(CC)SCCCCCF 62a_200011216223_100000729378 [1,1,0,0,0,0|2,0,0]=4 1884 B13R0.272 CCCCC(CC)SCCCCCO 62a_100000746330_200011216223 [1,1,0,0,0,0|1,0,0]=3 1885 B13R0.272 CCCCC(CC)SCCCCCO 62a_200011216223_100000746330 [1,1,0,0,0,0|1,0,0]=3 1886 B13R0.272 CCCCC(CC)SCCCCOC 62a_100000730899_200011216223 [1,1,0,0,0,0|2,0,0]=4 1887 B13R0.272 CCCCC(CC)SCCCCOC 62a_200011216223_100000730899 [1,1,0,0,0,0|2,0,0]=4 1888 B13R0.272 CCCCC(CC)SCCOCCO 62a_100011215305_200011216223 [1,1,0,0,0,0|2,0,0]=4 1889 B13R0.272 CCCCC(CC)SCCOCCO 62a_200011216223_100011215305 [1,1,0,0,0,0|2,0,0]=4 1890 B13R0.272 CCCCC(CC)SCOCCOC 62a_100000231047_200011216223 [1,1,0,0,0,0|2,0,0]=4 1891 B13R0.272 CCCCC(CC)SCOCCOC 62a_200011216223_100000231047 [1,1,0,0,0,0|2,0,0]=4 1892 B13R0.272 CCCCCCNC(CC)CCCC 270004a_100000210581_100000753412 [1,1,0,0,0,0|2,0,0]=4 1893 B13R0.272 CCCCCCOC(CC)CCCC 34a_100000210259_200011216223 [1,1,0,0,0,0|2,0,0]=4 1894 B13R0.272 CCCCCCOC(CC)CCCC 34a_100011215227_100000210314 [1,1,0,0,0,0|2,0,0]=4 1895 B13R0.272 CCCCCCOC(CC)CCCC 7a_100000210259_200011216223 [1,1,0,0,0,0|2,0,0]=4 1896 B13R0.272 CCCCCCOC(CC)CCCC 7a_100011215227_100000210314 [1,1,0,0,0,0|2,0,0]=4 1897 B13R0.272 CCCCCNCC(CC)CCCC 2230a_100000209976_100000210326 [1,1,0,0,0,0|2,0,0]=4 1898 B13R0.272 CCCCCNCC(CC)CCCC 2230a_100000209983_100000211942 [1,1,0,0,0,0|2,0,0]=4 1899 B13R0.272 CCCCCNCC(CC)CCCC 269862a_100000209983_100011219736 [1,1,0,0,0,0|2,0,0]=4 1900 B13R0.272 CCCCCNCC(CC)CCCC 270004a_100000209983_100011219736 [1,1,0,0,0,0|2,0,0]=4 1901 B13R0.272 CCCCCOCC(CC)CCCC 34a_100000210253_100000211942 [1,1,0,0,0,0|1,0,0]=3 1902 B13R0.272 CCCCCOCC(CC)CCCC 34a_100000210273_100000718602 [1,1,0,0,0,0|1,0,0]=3 1903 B13R0.272 CCCCCOCC(CC)CCCC 7a_100000210253_100000211942 [1,1,0,0,0,0|1,0,0]=3 1904 B13R0.272 CCCCCOCC(CC)CCCC 7a_100000210273_100000210326 [1,1,0,0,0,0|1,0,0]=3 1905 B13R0.272 CCCCN(CC)CCCCCCO 2230a_100000207695_100000766143 [1,1,0,0,0,0|2,0,0]=4 1906 B13R0.272 CCCCN(CC)CCCCCCO 269982a_100000207695_100000766143 [1,1,0,0,0,0|2,0,0]=4 1907 B13R0.272 CCCCN(CC)CCNCCCO 2230a_200011208488_100000230001 [1,1,0,0,0,0|2,0,0]=4 1908 B13R0.272 CCCCOCCN(CC)CCCC 2230a_100000207695_100000743108 [1,1,0,0,0,0|2,0,0]=4 1909 B13R0.272 CCCCOCCN(CC)CCCC 269982a_100000207695_100000743108 [1,1,0,0,0,0|2,0,0]=4 1910 B13R0.272 CCCCOCN[C@H](CO)CCCC 2230a_100011934283_100011995733 [1,1,0,0,0,0|2,0,0]=4 1911 B13R0.272 CCCCOCN[C@H](CO)CCCC 34a_100011934283_100011995733 [1,1,0,0,0,0|2,0,0]=4 1912 B13R0.272 CCCCOCOC(CC)CCCC 34a_100011215227_100011995733 [1,1,0,0,0,0|1,0,0]=3 1913 B13R0.272 CCCCOCSC(CC)CCCC 62a_100011995733_200011216223 [1,1,0,0,0,0|1,0,0]=3 1914 B13R0.272 CCCCOCSC(CC)CCCC 62a_200011216223_100011995733 [1,1,0,0,0,0|1,0,0]=3 1915 B13R0.272 CCCC[C@@H](CO)NCCCCCO 2230a_100011934283_100000746330 [1,1,0,0,0,0|2,0,0]=4 1916 B13R0.272 CCCC[C@@H](CO)NCCCCCO 34a_100011934283_100000746330 [1,1,0,0,0,0|2,0,0]=4 1917 B13R0.278 CCCCCC(CC)NCCCCO 270004a_100000750430_100011215316 [1,1,0,0,0,0|2,0,0]=4 1918 B13R0.278 CCCCCC(CC)OCCCCO 34a_100011215405_100011216708 [1,1,0,0,0,0|2,0,0]=4 1919 B13R0.278 CCCCCC(CC)OCCCCO 7a_100011215405_100000210776 [1,1,0,0,0,0|2,0,0]=4 1920 B13R0.278 CCCCCCC(CC)NCCCC 270004a_100000102301_100011219640 [1,1,0,0,0,0|2,0,0]=4 1921 B13R0.278 CCCCCCC(CC)OCCCC 34a_100011215785_100000210210 [1,1,0,0,0,0|2,0,0]=4 1922 B13R0.278 CCCCCCC(CC)OCCCC 7a_100011215785_100000210211 [1,1,0,0,0,0|2,0,0]=4 1923 B13R0.278 CCCCOCN(CC)CCCCO 2230a_100011217355_100011995733 [1,1,0,0,0,0|2,0,0]=4 1924 B13R0.278 CCCCOCN(CC)CCCCO 269982a_100011217355_100011995733 [1,1,0,0,0,0|2,0,0]=4 1925 B13R0.278 CCN(CCCCO)CCCCCO 2230a_100011217355_100000746330 [1,1,0,0,0,0|2,0,0]=4 1926 B13R0.278 CCN(CCCCO)CCCCCO 269982a_100011217355_100000746330 [1,1,0,0,0,0|2,0,0]=4 1927 B13R0.279 CCCCC(CCC)NCCCCO 34a_100000750430_100000211913 [1,1,0,0,0,0|2,0,0]=4 1928 B13R0.279 CCCCC(CCC)OCCCCO 34a_100011215800_100011216708 [1,1,0,0,0,0|2,0,0]=4 1929 B13R0.279 CCCCC(CCC)OCCCCO 7a_100011215800_100000210776 [1,1,0,0,0,0|2,0,0]=4 1930 B13R0.279 CCCCC(CCC)SCCCCO 62a_100000210776_100000211913 [1,1,0,0,0,0|2,0,0]=4 1931 B13R0.279 CCCCC(CCC)SCCCCO 62a_100000211913_100000210776 [1,1,0,0,0,0|2,0,0]=4 1932 B13R0.279 CCCCCCC(CCCC)CNC 2230a_100009981901_200000210301 [1,1,0,0,0,0|2,0,0]=4 1933 B13R0.279 CCCCCCC(CCCC)CNC 2230a_106832991635_100010759479 [1,1,0,0,0,0|2,0,0]=4 1934 B13R0.279 CCCCCCC(CCCC)CNC 34a_100009981901_200000210301 [1,1,0,0,0,0|2,0,0]=4 1935 B13R0.279 CCCCCCC(CCCC)CNC 34a_100102657272_100010759479 [1,1,0,0,0,0|2,0,0]=4 1936 B13R0.279 CCCCCCC(CCCC)CNC 7a_106832991635_100010759479 [1,1,0,0,0,0|2,0,0]=4 1937 B13R0.279 CCCCCCC(CCCC)CN[13CH3] 2230a_100009981901_200025704644 [1,1,0,0,0,0|2,0,0]=4 1938 B13R0.279 CCCCCCC(CCCC)CN[13CH3] 34a_100009981901_200025704644 [1,1,0,0,0,0|2,0,0]=4 1939 B13R0.279 CCCCCCC(CCCC)COC 34a_100000033092_200000210301 [1,1,0,0,0,0|2,0,0]=4 1940 B13R0.279 CCCCCCC(CCCC)COC 34a_100138415774_100010759479 [1,1,0,0,0,0|2,0,0]=4 1941 B13R0.279 CCCCCCC(CCCC)COC 7a_100000033092_200000210301 [1,1,0,0,0,0|2,0,0]=4 1942 B13R0.279 CCCCCCC(CCCC)CO[13CH3] 34a_100000033092_200025704644 [1,1,0,0,0,0|2,0,0]=4 1943 B13R0.279 CCCCCCC(CCCC)CO[13CH3] 7a_100000033092_200025704644 [1,1,0,0,0,0|2,0,0]=4 1944 B13R0.279 CCCCCCC(CCCC)NCC 270004a_100015525214_200011215745 [1,1,0,0,0,0|2,0,0]=4 1945 B13R0.279 CCCCCCC(CCCC)OCC 34a_200011216055_100000210202 [1,1,0,0,0,0|2,0,0]=4 1946 B13R0.279 CCCCCCC(CCCC)OCC 7a_200011216055_100000210202 [1,1,0,0,0,0|2,0,0]=4 1947 B13R0.279 CCCCN(CCC)CCCCCO 2230a_200000207744_100000746330 [1,1,0,0,0,0|2,0,0]=4 1948 B13R0.279 CCCCN(CCC)CCCCCO 269982a_200000207744_100000746330 [1,1,0,0,0,0|2,0,0]=4 1949 B13R0.279 CCCCN(CCO)CCCCCO 2230a_100000198060_100000746330 [1,1,0,0,0,0|2,0,0]=4 1950 B13R0.279 CCCCN(CCO)CCCCCO 269982a_100000198060_100000746330 [1,1,0,0,0,0|2,0,0]=4 1951 B13R0.279 CCCCOCN(CCC)CCCC 2230a_200000207744_100011995733 [1,1,0,0,0,0|2,0,0]=4 1952 B13R0.279 CCCCOCN(CCC)CCCC 269982a_200000207744_100011995733 [1,1,0,0,0,0|2,0,0]=4 1953 B13R0.279 CCCCOCN(CCO)CCCC 2230a_100000198060_100011995733 [1,1,0,0,0,0|2,0,0]=4 1954 B13R0.279 CCCCOCN(CCO)CCCC 269982a_100000198060_100011995733 [1,1,0,0,0,0|2,0,0]=4 1955 B13R0.285 CCC(CCC(C)C)OCCCCO 34a_100011216567_100011216708 [1,1,0,0,0,0|2,0,0]=4 1956 B13R0.285 CCC(CCC(C)C)OCCCCO 7a_100011216567_100000210776 [1,1,0,0,0,0|2,0,0]=4 1957 B13R0.285 CCCCOCN(CC)CCC(C)C 2230a_100000207693_100011995733 [1,1,0,0,0,0|2,0,0]=4 1958 B13R0.285 CCCCOCN(CC)CCC(C)C 269982a_100000207693_100011995733 [1,1,0,0,0,0|2,0,0]=4 1959 B13R0.285 CCN(CCCCCO)CCC(C)C 2230a_100000207693_100000746330 [1,1,0,0,0,0|2,0,0]=4 1960 B13R0.285 CCN(CCCCCO)CCC(C)C 269982a_100000207693_100000746330 [1,1,0,0,0,0|2,0,0]=4 1961 B13R0.287 CCC(C)CC(CC)NCCCCO 270004a_100000750430_100000184709 [1,1,0,0,0,0|2,0,0]=4 1962 B13R0.287 CCC(C)CC(CC)OCCCCO 7a_200011216566_100000210776 [1,1,0,0,0,0|2,0,0]=4 1963 B13R0.287 CCC(O)CN(CC)CCCCCO 2230a_100011365200_100000746330 [1,1,0,0,0,0|2,0,0]=4 1964 B13R0.287 CCC(O)CN(CC)CCCCCO 269982a_100011365200_100000746330 [1,1,0,0,0,0|2,0,0]=4 1965 B13R0.287 CCCCOCN(CC)CC(O)CC 2230a_100011365200_100011995733 [1,1,0,0,0,0|2,0,0]=4 1966 B13R0.287 CCCCOCN(CC)CC(O)CC 269982a_100011365200_100011995733 [1,1,0,0,0,0|2,0,0]=4 1967 B13R0.300 C=C(Br)CCOCC(CC)CCCC 34a_100009813270_100000211942 [1,1,0,0,0,0|1,0,1]=4 1968 B13R0.300 C=C(C)CCOCC(CC)CCCC 34a_100000210273_100000730704 [1,1,0,0,0,0|1,0,1]=4 1969 B13R0.300 C=C(C)CCOCC(CC)CCCC 34a_100000764851_100000211942 [1,1,0,0,0,0|1,0,1]=4 1970 B13R0.300 C=C(C)CCOCC(CC)CCCC 7a_100000210273_100000730704 [1,1,0,0,0,0|1,0,1]=4 1971 B13R0.300 CCC/C=C(\CC)/COCCC(C)O 34a_200015372368_100012276601 [1,1,0,0,0,0|0,0,2]=4 1972 B13R0.300 CCC/C=C(\CC)/COCCC(C)O 7a_200015372368_100012276601 [1,1,0,0,0,0|0,0,2]=4 1973 B13R0.300 CCCCC(CC)CNCCC(C)C 2230a_100000209976_100000210312 [1,1,0,0,0,0|2,0,0]=4 1974 B13R0.300 CCCCC(CC)CNCCC(C)C 269862a_100000209976_100000185833 [1,1,0,0,0,0|2,0,0]=4 1975 B13R0.300 CCCCC(CC)CNCCC(C)C 269862a_100000210545_100011219736 [1,1,0,0,0,0|2,0,0]=4 1976 B13R0.300 CCCCC(CC)CNCCC(C)C 270004a_100000210545_100011219736 [1,1,0,0,0,0|2,0,0]=4 1977 B13R0.300 CCCCC(CC)CNCCC(C)O 2230a_100000209976_100012276601 [1,1,0,0,0,0|1,0,0]=3 1978 B13R0.300 CCCCC(CC)CNCCC(C)O 2230a_200000755665_100000211942 [1,1,0,0,0,0|1,0,0]=3 1979 B13R0.300 CCCCC(CC)CNCCC(C)O 269862a_200000755665_100011219736 [1,1,0,0,0,0|1,0,0]=3 1980 B13R0.300 CCCCC(CC)CNCCC(C)O 270004a_200000755665_100011219736 [1,1,0,0,0,0|1,0,0]=3 1981 B13R0.300 CCCCC(CC)COCCC(=O)C 34a_100000759926_100000211942 [1,1,0,0,0,0|0,0,2]=4 1982 B13R0.300 CCCCC(CC)COCCC(=O)C 7a_100000210273_100000053229 [1,1,0,0,0,0|0,0,2]=4 1983 B13R0.300 CCCCC(CC)COCCC(=O)C 7a_100000759926_100000211942 [1,1,0,0,0,0|0,0,2]=4 1984 B13R0.300 CCCCC(CC)COCCC(=O)N 34a_100000210273_100000731001 [1,1,0,0,0,0|0,0,2]=4 1985 B13R0.300 CCCCC(CC)COCCC(=O)N 34a_100000757172_100000211942 [1,1,0,0,0,0|0,0,2]=4 1986 B13R0.300 CCCCC(CC)COCCC(=O)N 7a_100000210273_100000744528 [1,1,0,0,0,0|0,0,2]=4 1987 B13R0.300 CCCCC(CC)COCCC(=O)N 7a_100000757172_100000211942 [1,1,0,0,0,0|0,0,2]=4 1988 B13R0.300 CCCCC(CC)COCCC(C)Br 34a_100009893172_100000211942 [1,1,0,0,0,0|1,0,0]=3 1989 B13R0.300 CCCCC(CC)COCCC(C)C 34a_100000210254_100000211942 [1,1,0,0,0,0|1,0,0]=3 1990 B13R0.300 CCCCC(CC)COCCC(C)C 34a_100000210273_100000210312 [1,1,0,0,0,0|1,0,0]=3 1991 B13R0.300 CCCCC(CC)COCCC(C)C 7a_100000210254_100000211942 [1,1,0,0,0,0|1,0,0]=3 1992 B13R0.300 CCCCC(CC)COCCC(C)C 7a_100000210273_100000210626 [1,1,0,0,0,0|1,0,0]=3 1993 B13R0.300 CCCCC(CC)COCCC(C)O 34a_100000210273_100012276601 [1,1,0,0,0,0|0,0,0]=2 1994 B13R0.300 CCCCC(CC)COCCC(C)O 7a_100000210273_100012276601 [1,1,0,0,0,0|0,0,0]=2 1995 B13R0.300 CCCCC(CC)COCCC(F)F 34a_100103093639_100000211942 [1,1,0,0,0,0|1,0,0]=3 1996 B13R0.300 CCCCC(CC)COCCN(C)C 7a_100000210273_100000755713 [1,1,0,0,0,0|2,0,0]=4 1997 B13R0.300 CCCCC(CC)COCC[C@@H](C)N 34a_100000706166_100000211942 [1,1,0,0,0,0|1,0,0]=3 1998 B13R0.300 CCCCC(CC)COCOC(C)C 34a_100000210273_100000709892 [1,1,0,0,0,0|2,0,0]=4 1999 B13R0.300 CCCCC(CC)CSCCC(C)C 62a_100000210312_100000211942 [1,1,0,0,0,0|1,1,0]=4 2000 B13R0.300 CCCCC(CC)CSCCC(C)C 62a_100000211942_100000210312 [1,1,0,0,0,0|1,1,0]=4 2001 B13R0.300 CCCCC(CC)CSCCC(C)O 62a_100000211942_100012276601 [1,1,0,0,0,0|0,1,0]=3 2002 B13R0.300 CCCCC(CC)CSCCC(C)O 62a_100012276601_100000211942 [1,1,0,0,0,0|0,1,0]=3 2003 B13R0.300 CCCCC(CC)OCCCC(C)O 34a_100011215227_200000718107 [1,1,0,0,0,0|2,0,0]=4 2004 B13R0.300 CCCCC(CC)OCCCC(C)O 7a_100011215227_200000718107 [1,1,0,0,0,0|2,0,0]=4 2005 B13R0.300 CCCCC(CC)SCCCC(C)O 62a_200000718107_200011216223 [1,1,0,0,0,0|2,0,0]=4 2006 B13R0.300 CCCCC(CC)SCCCC(C)O 62a_200011216223_200000718107 [1,1,0,0,0,0|2,0,0]=4 2007 B13R0.305 C#CCC(C)OCC(CC)CCCC 34a_100000685586_100000211942 [1,1,0,0,0,0|1,0,1]=4 2008 B13R0.305 C#CCC(C)OCC(CC)CCCC 7a_100000685586_100000211942 [1,1,0,0,0,0|1,0,1]=4 2009 B13R0.305 C=CC[C@@H](C)OCC(CC)CCCC 34a_100000731007_100000211942 [1,1,0,0,0,0|1,0,1]=4 2010 B13R0.305 C=CC[C@@H](C)OCC(CC)CCCC 7a_100000731007_100000211942 [1,1,0,0,0,0|1,0,1]=4 2011 B13R0.305 CCC/C=C(\CC)/COC(C)CCO 34a_200015372368_100009893172 [1,1,0,0,0,0|0,0,2]=4 2012 B13R0.305 CCC/C=C(\CC)/COC(C)CCO 7a_200015372368_100009893172 [1,1,0,0,0,0|0,0,2]=4 2013 B13R0.305 CCCCC(CC)CCC(=O)CCO 1458a_100011216959_100000211926 [1,1,0,0,0,0|1,0,1]=4 2014 B13R0.305 CCCCC(CC)CNC(=O)CCO 240690a_100000209976_100011216618 [1,1,0,0,0,0|1,0,1]=4 2015 B13R0.305 CCCCC(CC)CNC(C)CCC 2230a_100000209976_100000766640 [1,1,0,0,0,0|2,0,0]=4 2016 B13R0.305 CCCCC(CC)CNC(C)CCC 2230a_100000741246_100000211942 [1,1,0,0,0,0|2,0,0]=4 2017 B13R0.305 CCCCC(CC)CNC(C)CCC 269862a_100000741246_100011219736 [1,1,0,0,0,0|2,0,0]=4 2018 B13R0.305 CCCCC(CC)CNC(C)CCC 270004a_100000209976_100000211909 [1,1,0,0,0,0|2,0,0]=4 2019 B13R0.305 CCCCC(CC)CNC(C)CCC 270004a_100000741246_100011219736 [1,1,0,0,0,0|2,0,0]=4 2020 B13R0.305 CCCCC(CC)CNC(C)CCO 2230a_100000209976_100009893172 [1,1,0,0,0,0|1,0,0]=3 2021 B13R0.305 CCCCC(CC)CN[C@H](C)CCO 2230a_100000706166_100000211942 [1,1,0,0,0,0|1,0,0]=3 2022 B13R0.305 CCCCC(CC)CN[C@H](C)CCO 269862a_100000706166_100011219736 [1,1,0,0,0,0|1,0,0]=3 2023 B13R0.305 CCCCC(CC)CN[C@H](C)CCO 270004a_100000706166_100011219736 [1,1,0,0,0,0|1,0,0]=3 2024 B13R0.305 CCCCC(CC)CN[C@H](C)CCO 34a_100000706166_100000211942 [1,1,0,0,0,0|1,0,0]=3 2025 B13R0.305 CCCCC(CC)COC(C)CC#N 7a_100000210273_100009813641 [1,1,0,0,0,0|1,0,1]=4 2026 B13R0.305 CCCCC(CC)COC(C)CCBr 34a_100012276601_100000211942 [1,1,0,0,0,0|1,0,0]=3 2027 B13R0.305 CCCCC(CC)COC(C)CCC 34a_100000210273_100000766640 [1,1,0,0,0,0|1,0,0]=3 2028 B13R0.305 CCCCC(CC)COC(C)CCC 34a_100000764384_100000211942 [1,1,0,0,0,0|1,0,0]=3 2029 B13R0.305 CCCCC(CC)COC(C)CCC 7a_100000210273_100000766640 [1,1,0,0,0,0|1,0,0]=3 2030 B13R0.305 CCCCC(CC)COC(C)CCC 7a_100000764384_100000211942 [1,1,0,0,0,0|1,0,0]=3 2031 B13R0.305 CCCCC(CC)COC(C)CCO 34a_100000210273_100009893172 [1,1,0,0,0,0|0,0,0]=2 2032 B13R0.305 CCCCC(CC)COC(C)CCO 7a_100000210273_100009893172 [1,1,0,0,0,0|0,0,0]=2 2033 B13R0.305 CCCCC(CC)COC(C)COC 34a_100000210273_100000765312 [1,1,0,0,0,0|2,0,0]=4 2034 B13R0.305 CCCCC(CC)COC(C)COC 7a_100000210273_100000765312 [1,1,0,0,0,0|2,0,0]=4 2035 B13R0.305 CCCCC(CC)CO[C@H](C)COC 34a_100011934205_100000211942 [1,1,0,0,0,0|2,0,0]=4 2036 B13R0.305 CCCCC(CC)CSC(C)CCO 62a_100000211942_100009893172 [1,1,0,0,0,0|0,1,0]=3 2037 B13R0.305 CCCCC(CC)CSC(C)CCO 62a_100009893172_100000211942 [1,1,0,0,0,0|0,1,0]=3 2038 B13R0.1281 C#CCCOC(C)C(CC)CCCC 34a_200011290779_100000688953 [1,1,0,0,0,0|1,0,1]=4 2039 B13R0.1281 C#CCCOC(C)C(CC)CCCC 7a_200011290779_100000688953 [1,1,0,0,0,0|1,0,1]=4 2040 B13R0.1281 C=CCCOC(C)C(CC)CCCC 34a_200011290779_100000754431 [1,1,0,0,0,0|1,0,1]=4 2041 B13R0.1281 C=CCCOC(C)C(CC)CCCC 7a_200011290779_100000754431 [1,1,0,0,0,0|1,0,1]=4 2042 B13R0.1281 CCCCC(CC)C(=O)CCCCO 1458a_100000211130_100000210776 [1,1,0,0,0,0|1,0,1]=4 2043 B13R0.1281 CCCCC(CC)C(=O)CCCCO 1458a_100000695505_200011216223 [1,1,0,0,0,0|1,0,1]=4 2044 B13R0.1281 CCCCC(CC)C(=O)NCCCO 240690a_100000182051_100000211130 [1,1,0,0,0,0|1,0,1]=4 2045 B13R0.1281 CCCCC(CC)C(=O)NCCCO 527a_100000182051_100000211130 [1,1,0,0,0,0|1,0,1]=4 2046 B13R0.1281 CCCCC(CC)C(C)OCCC#N 7a_200011290779_100000184422 [1,1,0,0,0,0|1,0,1]=4 2047 B13R0.1281 CCCCC(CC)C(C)OCCCF 34a_200011290779_100011934791 [1,1,0,0,0,0|1,0,0]=3 2048 B13R0.1281 CCCCC(CC)C(C)OCCCF 7a_200011290779_100011934791 [1,1,0,0,0,0|1,0,0]=3 2049 B13R0.1281 CCCCC(CC)C(C)OCCCO 34a_200011290779_100000230001 [1,1,0,0,0,0|0,0,0]=2 2050 B13R0.1281 CCCCC(CC)C(C)OCCCO 7a_200011290779_100011215043 [1,1,0,0,0,0|0,0,0]=2 2051 B13R0.1281 CCCCC(CC)C(C)OCCOC 34a_200011290779_100011201679 [1,1,0,0,0,0|2,0,0]=4 2052 B13R0.1281 CCCCC(CC)C(C)OCCOC 7a_200011290779_100000233755 [1,1,0,0,0,0|2,0,0]=4 2053 B13R0.1281 CCCCC(CC)C(C)OCCSC 34a_200011290779_100000212216 [1,1,0,0,0,0|2,0,0]=4 2054 B13R0.1281 CCCCC(CC)C(C)OCCSC 7a_200011290779_100000212216 [1,1,0,0,0,0|2,0,0]=4 2055 B13R0.1281 CCCCC(CC)N(C)CCCCO 269982a_100000717598_200011216223 [1,1,0,0,0,0|2,0,0]=4 2056 B13R0.1281 CCCCC(CC)N(C)CCCCO 270004a_100000717598_100000753412 [1,1,0,0,0,0|2,0,0]=4 2057 B13R0.1281 CCCCOC(C)C(CC)CCCC 34a_200011290779_100000210210 [1,1,0,0,0,0|1,0,0]=3 2058 B13R0.1281 CCCCOC(C)C(CC)CCCC 7a_200011290779_100000210211 [1,1,0,0,0,0|1,0,0]=3 2059 B13R0.1984 CCC(O)(CCCO)CNCCCO 2230a_100015186943_100000230001 [1,1,0,0,0,0|2,0,0]=4 2060 B13R0.1984 CCCCC(C)(CC)OCCCCO 7a_200011218725_100000210776 [1,1,0,0,0,0|2,0,0]=4 2061 B13R0.23 CCOC(CC)CNCC(O)COC 34a_100015183923_100011215053 [1,1,0,0,0,0|2,0,0]=4 2062 B13R0.222 C=CC(O)COCC(CCC)CCC 34a_200011215456_100000730141 [1,1,0,0,0,0|1,0,1]=4 2063 B13R0.222 C=CC(O)COCC(CCC)CCC 7a_200011215456_100000730141 [1,1,0,0,0,0|1,0,1]=4 2064 B13R0.222 CCCC(CCC)COCC(C)CC 34a_200011215456_100000748023 [1,1,0,0,0,0|2,0,0]=4 2065 B13R0.222 CCCC(CCC)COCC(C)CC 7a_200011215456_100000748023 [1,1,0,0,0,0|2,0,0]=4 2066 B13R0.222 CCCC(CCC)COCC(O)CC 34a_200011215456_100011218378 [1,1,0,0,0,0|1,0,0]=3 2067 B13R0.222 CCCC(CCC)COCC(O)CC 7a_200011215456_100011218378 [1,1,0,0,0,0|1,0,0]=3 2068 B13R0.222 CCCC(CCC)COCC(O)CO 34a_200011215456_100011219619 [1,1,0,0,0,0|0,0,0]=2 2069 B13R0.222 CCCC(CCC)COCC(O)CO 7a_200011215456_100011219619 [1,1,0,0,0,0|0,0,0]=2 2070 B13R0.222 CCCC(CCC)COC[C@@H](C)CC 34a_200011215456_100009816398 [1,1,0,0,0,0|2,0,0]=4 2071 B13R0.222 CCCC(CCC)COC[C@@H](C)CC 7a_200011215456_100009816398 [1,1,0,0,0,0|2,0,0]=4 2072 B13R0.222 CCCC(CCC)COC[C@@H](C)CO 34a_200011215456_100000059175 [1,1,0,0,0,0|1,0,0]=3 2073 B13R0.222 CCCC(CCC)COC[C@@H](C)CO 7a_200011215456_100000059175 [1,1,0,0,0,0|1,0,0]=3 2074 B13R0.222 CCCC(CCC)COC[C@@H](O)CF 34a_200011215456_100015614560 [1,1,0,0,0,0|1,0,0]=3 2075 B13R0.222 CCCC(CCC)COC[C@@H](O)CF 7a_200011215456_100015614560 [1,1,0,0,0,0|1,0,0]=3 2076 B13R0.222 CCCC(CCC)COC[C@@H](O)CO 34a_200011215456_100009815848 [1,1,0,0,0,0|0,0,0]=2 2077 B13R0.222 CCCC(CCC)COC[C@@H](O)CO 7a_200011215456_100009815848 [1,1,0,0,0,0|0,0,0]=2 2078 B13R0.222 CCOC(CNCC(O)CO)OCC 34a_100000211098_100011219619 [1,1,0,0,0,0|2,0,0]=4 2079 B13R0.222 CCOC(CNC[C@@H](O)CO)OCC 34a_100000211098_100009815848 [1,1,0,0,0,0|2,0,0]=4 2080 B13R0.222 CCOC(CNC[C@H](O)CO)OCC 2230a_100020644852_100000210512 [1,1,0,0,0,0|2,0,0]=4 2081 B13R0.222 CCOC(COCC(O)CC)OCC 34a_100011216334_100011218378 [1,1,0,0,0,0|2,0,0]=4 2082 B13R0.222 CCOC(COCC(O)CC)OCC 7a_100011216334_100011218378 [1,1,0,0,0,0|2,0,0]=4 2083 B13R0.222 CCOC(COCC(O)CO)OCC 34a_100011216334_100011219619 [1,1,0,0,0,0|1,0,0]=3 2084 B13R0.222 CCOC(COCC(O)CO)OCC 7a_100011216334_100011219619 [1,1,0,0,0,0|1,0,0]=3 2085 B13R0.222 CCOC(COC[C@@H](C)CO)OCC 34a_100011216334_100000059175 [1,1,0,0,0,0|2,0,0]=4 2086 B13R0.222 CCOC(COC[C@@H](C)CO)OCC 7a_100011216334_100000059175 [1,1,0,0,0,0|2,0,0]=4 2087 B13R0.222 CCOC(COC[C@@H](O)CF)OCC 34a_100011216334_100015614560 [1,1,0,0,0,0|2,0,0]=4 2088 B13R0.222 CCOC(COC[C@@H](O)CF)OCC 7a_100011216334_100015614560 [1,1,0,0,0,0|2,0,0]=4 2089 B13R0.222 CCOC(COC[C@@H](O)CO)OCC 34a_100011216334_100009815848 [1,1,0,0,0,0|1,0,0]=3 2090 B13R0.222 CCOC(COC[C@@H](O)CO)OCC 7a_100011216334_100009815848 [1,1,0,0,0,0|1,0,0]=3 2091 B13R0.222 CCOC(CSCC(O)CO)OCC 62a_100000210512_100011219619 [1,1,0,0,0,0|1,1,0]=4 2092 B13R0.222 CCOC(CSCC(O)CO)OCC 62a_100011219619_100000210512 [1,1,0,0,0,0|1,1,0]=4 2093 B13R0.222 CCOC(CSC[C@@H](O)CO)OCC 62a_100000210512_100009815848 [1,1,0,0,0,0|1,1,0]=4 2094 B13R0.222 CCOC(CSC[C@@H](O)CO)OCC 62a_100009815848_100000210512 [1,1,0,0,0,0|1,1,0]=4 2095 B13R0.568 CCCC(CC)C(=O)NC[C@H](O)CO 240690a_100020644852_100011416436 [1,1,0,0,0,0|1,0,1]=4 2096 B13R0.568 CCCC(CC)C(=O)NC[C@H](O)CO 527a_100020644852_100011416436 [1,1,0,0,0,0|1,0,1]=4 2097 B13R0.1248 C=CC(O)COCC(CC)CC(C)C 34a_100012186708_100000730141 [1,1,0,0,0,0|1,0,1]=4 2098 B13R0.1248 C=CC(O)COCC(CC)CC(C)C 7a_100012186708_100000730141 [1,1,0,0,0,0|1,0,1]=4 2099 B13R0.1248 CC(C)CC(CN)COCC(O)CO 34a_200000723437_100011219619 [1,1,0,0,0,0|1,0,0]=3 2100 B13R0.1248 CC(C)CC(CN)COC[C@@H](C)CO 34a_200000723437_100000059175 [1,1,0,0,0,0|2,0,0]=4 2101 B13R0.1248 CC(C)CC(CN)COC[C@@H](O)CF 34a_200000723437_100015614560 [1,1,0,0,0,0|2,0,0]=4 2102 B13R0.1248 CC(C)CC(CN)COC[C@@H](O)CO 34a_200000723437_100009815848 [1,1,0,0,0,0|1,0,0]=3 2103 B13R0.1248 CC(C)CC(CO)CNCC(O)CO 34a_200000723437_100011219619 [1,1,0,0,0,0|2,0,0]=4 2104 B13R0.1248 CC(C)CC(CO)CNC[C@@H](O)CO 34a_200000723437_100009815848 [1,1,0,0,0,0|2,0,0]=4 2105 B13R0.1248 CCC(C)COCC(CC)CC(C)C 34a_100012186708_100000748023 [1,1,0,0,0,0|2,0,0]=4 2106 B13R0.1248 CCC(C)COCC(CC)CC(C)C 7a_100012186708_100000748023 [1,1,0,0,0,0|2,0,0]=4 2107 B13R0.1248 CCC(COCC(O)CO)CC(C)C 34a_100012186708_100011219619 [1,1,0,0,0,0|0,0,0]=2 2108 B13R0.1248 CCC(COCC(O)CO)CC(C)C 7a_100012186708_100011219619 [1,1,0,0,0,0|0,0,0]=2 2109 B13R0.1248 CCC(COC[C@@H](C)CC)CC(C)C 34a_100012186708_100009816398 [1,1,0,0,0,0|2,0,0]=4 2110 B13R0.1248 CCC(COC[C@@H](C)CC)CC(C)C 7a_100012186708_100009816398 [1,1,0,0,0,0|2,0,0]=4 2111 B13R0.1248 CCC(COC[C@@H](C)CO)CC(C)C 34a_100012186708_100000059175 [1,1,0,0,0,0|1,0,0]=3 2112 B13R0.1248 CCC(COC[C@@H](C)CO)CC(C)C 7a_100012186708_100000059175 [1,1,0,0,0,0|1,0,0]=3 2113 B13R0.1248 CCC(COC[C@@H](O)CF)CC(C)C 34a_100012186708_100015614560 [1,1,0,0,0,0|1,0,0]=3 2114 B13R0.1248 CCC(COC[C@@H](O)CF)CC(C)C 7a_100012186708_100015614560 [1,1,0,0,0,0|1,0,0]=3 2115 B13R0.1248 CCC(COC[C@@H](O)CO)CC(C)C 34a_100012186708_100009815848 [1,1,0,0,0,0|0,0,0]=2 2116 B13R0.1248 CCC(COC[C@@H](O)CO)CC(C)C 7a_100012186708_100009815848 [1,1,0,0,0,0|0,0,0]=2 2117 B13R0.1248 CCC(O)COCC(CC)CC(C)C 34a_100012186708_100011218378 [1,1,0,0,0,0|1,0,0]=3 2118 B13R0.1248 CCC(O)COCC(CC)CC(C)C 7a_100012186708_100011218378 [1,1,0,0,0,0|1,0,0]=3 2119 B13R0.1248 CCC(O)COCC(CN)CC(C)C 34a_200000723437_100011218378 [1,1,0,0,0,0|2,0,0]=4 2120 B13R0.94 CCCC(C)C(CC)OCCC(C)O 34a_200011218412_100012276601 [1,1,0,0,0,0|2,0,0]=4 2121 B13R0.94 CCCC(C)C(CC)OCCC(C)O 7a_200011218412_100012276601 [1,1,0,0,0,0|2,0,0]=4 2122 B13R0.153 CCCCCC(CC)NCCC(C)O 270004a_200000755665_100011215316 [1,1,0,0,0,0|2,0,0]=4 2123 B13R0.153 CCCCCC(CC)OCCC(C)O 34a_100011215405_100012276601 [1,1,0,0,0,0|2,0,0]=4 2124 B13R0.153 CCCCCC(CC)OCCC(C)O 7a_100011215405_100012276601 [1,1,0,0,0,0|2,0,0]=4 2125 B13R0.153 CCN(CCCCO)CCCC(C)O 2230a_100011217355_200000718107 [1,1,0,0,0,0|2,0,0]=4 2126 B13R0.153 CCN(CCCCO)CCCC(C)O 269982a_100011217355_200000718107 [1,1,0,0,0,0|2,0,0]=4 2127 B13R0.207 CCC(C)CC(CC)NCCC(C)O 270004a_200000755665_100000184709 [1,1,0,0,0,0|2,0,0]=4 2128 B13R0.207 CCC(C)CC(CC)OCCC(C)O 7a_200011216566_100012276601 [1,1,0,0,0,0|2,0,0]=4 2129 B13R0.207 CCC(O)CN(CC)CCCC(C)O 2230a_100011365200_200000718107 [1,1,0,0,0,0|2,0,0]=4 2130 B13R0.207 CCC(O)CN(CC)CCCC(C)O 269982a_100011365200_200000718107 [1,1,0,0,0,0|2,0,0]=4 2131 B13R0.307 CCC/C=C(\CC)/COCC(C)(C)O 34a_200015372368_100000764493 [1,1,0,0,0,0|0,0,2]=4 2132 B13R0.307 CCC/C=C(\CC)/COCC(C)(C)O 7a_200015372368_100000764493 [1,1,0,0,0,0|0,0,2]=4 2133 B13R0.307 CCCCC(CC)CNCC(C)(C)C 2230a_100000743828_100000211942 [1,1,0,0,0,0|2,0,0]=4 2134 B13R0.307 CCCCC(CC)CNCC(C)(C)C 269862a_100000743828_100011219736 [1,1,0,0,0,0|2,0,0]=4 2135 B13R0.307 CCCCC(CC)CNCC(C)(C)C 270004a_100000209976_100011204126 [1,1,0,0,0,0|2,0,0]=4 2136 B13R0.307 CCCCC(CC)CNCC(C)(C)C 270004a_100000743828_100011219736 [1,1,0,0,0,0|2,0,0]=4 2137 B13R0.307 CCCCC(CC)CNCC(C)(C)F 2230a_100020643315_100000211942 [1,1,0,0,0,0|2,0,0]=4 2138 B13R0.307 CCCCC(CC)CNCC(C)(C)F 269862a_100020643315_100011219736 [1,1,0,0,0,0|2,0,0]=4 2139 B13R0.307 CCCCC(CC)CNCC(C)(C)F 270004a_100020643315_100011219736 [1,1,0,0,0,0|2,0,0]=4 2140 B13R0.307 CCCCC(CC)CNCC(C)(C)O 2230a_100000751335_100000211942 [1,1,0,0,0,0|1,0,0]=3 2141 B13R0.307 CCCCC(CC)CNCC(C)(C)O 269862a_100000751335_100011219736 [1,1,0,0,0,0|1,0,0]=3 2142 B13R0.307 CCCCC(CC)CNCC(C)(C)O 270004a_100000751335_100011219736 [1,1,0,0,0,0|1,0,0]=3 2143 B13R0.307 CCCCC(CC)CNCC(C)(F)F 269862a_100000731000_100011219736 [1,1,0,0,0,0|2,0,0]=4 2144 B13R0.307 CCCCC(CC)CNCC(C)(F)F 270004a_100000731000_100011219736 [1,1,0,0,0,0|2,0,0]=4 2145 B13R0.307 CCCCC(CC)COCC(C)(C)C 34a_100000210273_100011219605 [1,1,0,0,0,0|1,0,0]=3 2146 B13R0.307 CCCCC(CC)COCC(C)(C)F 34a_100000210273_100011997219 [1,1,0,0,0,0|1,0,0]=3 2147 B13R0.307 CCCCC(CC)COCC(C)(C)F 34a_100000716592_100000211942 [1,1,0,0,0,0|1,0,0]=3 2148 B13R0.307 CCCCC(CC)COCC(C)(C)O 34a_100000210273_100000764493 [1,1,0,0,0,0|0,0,0]=2 2149 B13R0.307 CCCCC(CC)COCC(C)(C)O 7a_100000210273_100000764493 [1,1,0,0,0,0|0,0,0]=2 2150 B13R0.307 CCCCC(CC)COCC(C)(F)F 34a_100000068830_100000211942 [1,1,0,0,0,0|1,0,0]=3 2151 B13R0.307 CCCCC(CC)COCC(F)(F)Br 34a_100011217949_100000211942 [1,1,0,0,0,0|2,0,0]=4 2152 B13R0.307 CCCCC(CC)COCC(F)(F)Cl 34a_100000734434_100000211942 [1,1,0,0,0,0|2,0,0]=4 2153 B13R0.307 CCCCC(CC)COCC(F)(F)F 34a_100000210435_100000211942 [1,1,0,0,0,0|2,0,0]=4 2154 B13R0.307 CCCCC(CC)COC[Si](C)(C)C 7a_100000210273_100000233785 [1,1,0,0,0,0|1,1,0]=4 2155 B13R0.307 CCCCC(CC)CSCC(C)(C)C 62a_100000211942_100011219605 [1,1,0,0,0,0|1,1,0]=4 2156 B13R0.307 CCCCC(CC)CSCC(C)(C)C 62a_100011219605_100000211942 [1,1,0,0,0,0|1,1,0]=4 2157 B13R0.307 CCCCC(CC)CSCC(C)(C)F 62a_100000211942_100011997219 [1,1,0,0,0,0|1,1,0]=4 2158 B13R0.307 CCCCC(CC)CSCC(C)(C)F 62a_100011997219_100000211942 [1,1,0,0,0,0|1,1,0]=4 2159 B13R0.307 CCCCC(CC)CSCC(C)(C)O 62a_100000211942_100000764493 [1,1,0,0,0,0|0,1,0]=3 2160 B13R0.307 CCCCC(CC)CSCC(C)(C)O 62a_100000764493_100000211942 [1,1,0,0,0,0|0,1,0]=3 2161 B13R0.307 CCCCC(CC)NCCC(C)(C)O 270004a_100000707701_100000753412 [1,1,0,0,0,0|2,0,0]=4 2162 B13R0.307 CCCCC(CC)OCCC(C)(C)O 34a_100011215227_100000702414 [1,1,0,0,0,0|2,0,0]=4 2163 B13R0.307 CCCCC(CC)OCCC(C)(C)O 7a_100011215227_100000702414 [1,1,0,0,0,0|2,0,0]=4 2164 B13R0.307 CCCCC(CC)SCCC(C)(C)O 62a_100000702414_200011216223 [1,1,0,0,0,0|2,0,0]=4 2165 B13R0.307 CCCCC(CC)SCCC(C)(C)O 62a_200011216223_100000702414 [1,1,0,0,0,0|2,0,0]=4 2166 B13R0.307 CCCCN(CC)CCCC(C)(C)O 2230a_100000207695_100009888830 [1,1,0,0,0,0|2,0,0]=4 2167 B13R0.307 CCCCN(CC)CCCC(C)(C)O 269982a_100000207695_100009888830 [1,1,0,0,0,0|2,0,0]=4 2168 B13R0.378 C=C(C)COC(C)C(CC)CCCC 34a_200011290779_100000748629 [1,1,0,0,0,0|1,0,1]=4 2169 B13R0.378 C=C(C)COC(C)C(CC)CCCC 7a_200011290779_100000748629 [1,1,0,0,0,0|1,0,1]=4 2170 B13R0.378 CCCCC(CC)C(=O)CCC(C)O 1458a_100000211130_100012276601 [1,1,0,0,0,0|1,0,1]=4 2171 B13R0.378 CCCCC(CC)C(=O)NCC(C)O 11a_100000210904_100000211130 [1,1,0,0,0,0|1,0,1]=4 2172 B13R0.378 CCCCC(CC)C(=O)NCC(C)O 240690a_100000210904_100000211130 [1,1,0,0,0,0|1,0,1]=4 2173 B13R0.378 CCCCC(CC)C(=O)NCC(C)O 527a_100000210904_100000211130 [1,1,0,0,0,0|1,0,1]=4 2174 B13R0.378 CCCCC(CC)C(C)OCC(C)C 34a_200011290779_100000210624 [1,1,0,0,0,0|1,0,0]=3 2175 B13R0.378 CCCCC(CC)C(C)OCC(C)C 7a_200011290779_100000210760 [1,1,0,0,0,0|1,0,0]=3 2176 B13R0.378 CCCCC(CC)C(C)OCC(C)O 34a_200011290779_100011218427 [1,1,0,0,0,0|0,0,0]=2 2177 B13R0.378 CCCCC(CC)C(C)OCC(C)O 7a_200011290779_100011218427 [1,1,0,0,0,0|0,0,0]=2 2178 B13R0.378 CCCCC(CC)C(C)OCC(F)F 34a_200011290779_100011934356 [1,1,0,0,0,0|2,0,0]=4 2179 B13R0.378 CCCCC(CC)C(C)OCC(F)F 7a_200011290779_100011934356 [1,1,0,0,0,0|2,0,0]=4 2180 B13R0.378 CCCCC(CC)C(C)OC[C@@H](C)O 34a_200011290779_100009817552 [1,1,0,0,0,0|0,0,0]=2 2181 B13R0.378 CCCCC(CC)C(C)OC[C@@H](C)O 7a_200011290779_100009817552 [1,1,0,0,0,0|0,0,0]=2 2182 B13R0.506 CCC(O)(CCCO)CNCC(C)O 2230a_100015186943_100011218427 [1,1,0,0,0,0|2,0,0]=4 2183 B13R0.506 CCC(O)(CCCO)CNC[C@@H](C)O 2230a_100015186943_100009817552 [1,1,0,0,0,0|2,0,0]=4 2184 B13R0.506 CCCCC(C)(CC)OCCC(C)O 7a_200011218725_100012276601 [1,1,0,0,0,0|2,0,0]=4 2185 B13R0.519 CCCCC(CCC)OCCC(C)O 34a_100011215800_100012276601 [1,1,0,0,0,0|2,0,0]=4 2186 B13R0.519 CCCCC(CCC)OCCC(C)O 7a_100011215800_100012276601 [1,1,0,0,0,0|2,0,0]=4 2187 B13R0.519 CCCCC(CCC)SCCC(C)O 62a_100000211913_100012276601 [1,1,0,0,0,0|2,0,0]=4 2188 B13R0.519 CCCCC(CCC)SCCC(C)O 62a_100012276601_100000211913 [1,1,0,0,0,0|2,0,0]=4 2189 B13R0.519 CCCCN(CCC)CCCC(C)O 2230a_200000207744_200000718107 [1,1,0,0,0,0|2,0,0]=4 2190 B13R0.519 CCCCN(CCC)CCCC(C)O 269982a_200000207744_200000718107 [1,1,0,0,0,0|2,0,0]=4 2191 B13R0.519 CCCCN(CCO)CCCC(C)O 2230a_100000198060_200000718107 [1,1,0,0,0,0|2,0,0]=4 2192 B13R0.519 CCCCN(CCO)CCCC(C)O 269982a_100000198060_200000718107 [1,1,0,0,0,0|2,0,0]=4 2193 B13R0.1157 CCC(CCC(C)C)OCCC(C)O 34a_100011216567_100012276601 [1,1,0,0,0,0|2,0,0]=4 2194 B13R0.1157 CCC(CCC(C)C)OCCC(C)O 7a_100011216567_100012276601 [1,1,0,0,0,0|2,0,0]=4 2195 B13R0.1157 CCN(CCCC(C)O)CCC(C)C 2230a_100000207693_200000718107 [1,1,0,0,0,0|2,0,0]=4 2196 B13R0.1157 CCN(CCCC(C)O)CCC(C)C 269982a_100000207693_200000718107 [1,1,0,0,0,0|2,0,0]=4 2197 B13R0.1186 CCCCC(CC)CC(=O)CC(C)C 1458a_100000210554_100000211942 [1,1,0,0,0,0|2,0,0]=4 2198 B13R0.1186 CCCCC(CC)CC(=O)C[C@@H](C)O 1458a_100011933948_100000211942 [1,1,0,0,0,0|1,0,0]=3 2199 B13R0.1186 CCCCC(CC)CN(C)CC(C)C 2230a_100000747067_100000211942 [1,1,0,0,0,0|2,0,0]=4 2200 B13R0.1186 CCCCC(CC)CN(C)CC(C)C 269982a_100000747067_100000211942 [1,1,0,0,0,0|2,0,0]=4 2201 B13R0.1186 CCCCC(CC)CN(C)CC(C)C 270004a_100000747067_100011219736 [1,1,0,0,0,0|2,0,0]=4 2202 B13R0.1186 CCCCC(CC)CN(C)CC(C)O 2230a_100000227577_100000211942 [1,1,0,0,0,0|1,0,0]=3 2203 B13R0.1186 CCCCC(CC)CN(C)CC(C)O 269982a_100000227577_100000211942 [1,1,0,0,0,0|1,0,0]=3 2204 B13R0.1186 CCCCC(CC)CN(C)CC(C)O 270004a_100000227577_100011219736 [1,1,0,0,0,0|1,0,0]=3 2205 B13R0.1188 CCCCC(CC)CNC(=O)C(O)O 240690a_100000209976_100000233687 [1,1,0,0,0,0|1,0,1]=4 2206 B13R0.1188 CCCCC(CC)CNC(=O)[C@@H](C)O 240690a_100000209976_100000717761 [1,1,0,0,0,0|1,0,1]=4 2207 B13R0.1188 CCCCC(CC)CNC(=O)[C@H](C)O 1626a_100000209976_217856618621 [1,1,0,0,0,0|1,0,1]=4 2208 B13R0.1188 CCCCC(CC)CNC(=O)[C@H](C)O 240690a_100000209976_217856618621 [1,1,0,0,0,0|1,0,1]=4 2209 B13R0.1188 CCCCC(CC)CNC(C)C(C)C 2230a_100000211541_100000211942 [1,1,0,0,0,0|2,0,0]=4 2210 B13R0.1188 CCCCC(CC)CNC(C)C(C)C 269862a_100000211541_100011219736 [1,1,0,0,0,0|2,0,0]=4 2211 B13R0.1188 CCCCC(CC)CNC(C)C(C)C 270004a_100000211541_100011219736 [1,1,0,0,0,0|2,0,0]=4 2212 B13R0.1188 CCCCC(CC)COC(C)C(=O)C 34a_100000212229_100000211942 [1,1,0,0,0,0|0,0,2]=4 2213 B13R0.1188 CCCCC(CC)COC(C)C(=O)C 7a_100000210273_100000179758 [1,1,0,0,0,0|0,0,2]=4 2214 B13R0.1188 CCCCC(CC)COC(C)C(C)C 7a_100000748068_100000211942 [1,1,0,0,0,0|1,0,0]=3 2215 B13R0.1298 CCCCC(NCCC(C)O)C(C)C 270004a_200000755665_200011215219 [1,1,0,0,0,0|2,0,0]=4 2216 B13R0.1298 CCCCN(CCCC(C)O)C(C)C 2230a_100000207398_200000718107 [1,1,0,0,0,0|2,0,0]=4 2217 B13R0.1298 CCCCN(CCCC(C)O)C(C)C 269982a_100000207398_200000718107 [1,1,0,0,0,0|2,0,0]=4 2218 B13R0.376 CCCCC(CC)C(=O)CC(O)CC 1458a_100000211130_100011218378 [0,1,0,0,1,0|1,0,1]=4 2219 B13R0.376 CCCCC(CC)C(=O)CC(O)CC 1458a_100011667805_200011216223 [0,1,0,0,1,0|1,0,1]=4 2220 B13R0.376 CCCCC(CC)C(=O)C[C@@H](C)CO 1458a_100000211130_100000059175 [0,1,0,0,1,0|1,0,1]=4 2221 B13R0.376 CCCCC(CC)C(C)OC(C)CC 34a_200011290779_100011215416 [0,1,0,0,1,0|2,0,0]=4 2222 B13R0.376 CCCCC(CC)C(C)OC(C)CC 7a_200011290779_100000758301 [0,1,0,0,1,0|2,0,0]=4 2223 B13R0.376 CCCCC(CC)C(C)OC(C)CO 34a_200011290779_100012180447 [0,1,0,0,1,0|1,0,0]=3 2224 B13R0.376 CCCCC(CC)C(C)OC(C)CO 7a_200011290779_100012180447 [0,1,0,0,1,0|1,0,0]=3 2225 B13R0.376 CCCCC(CC)N(C)CC(O)CO 269982a_100011216503_200011216223 [0,1,0,0,1,0|1,0,0]=3 2226 B13R0.376 CCCCC(CC)N(C)CC(O)CO 270004a_100011216503_100000753412 [0,1,0,0,1,0|1,0,0]=3 2227 B13R0.435 C=CC(O)COC(CC)CCC(C)C 34a_100011216567_100000730141 [0,1,0,0,1,0|1,0,1]=4 2228 B13R0.435 C=CC(O)COC(CC)CCC(C)C 7a_100011216567_100000730141 [0,1,0,0,1,0|1,0,1]=4 2229 B13R0.435 CCC(C)COC(CC)CCC(C)C 34a_100011216567_100000748023 [0,1,0,0,1,0|2,0,0]=4 2230 B13R0.435 CCC(C)COC(CC)CCC(C)C 7a_100011216567_100000748023 [0,1,0,0,1,0|2,0,0]=4 2231 B13R0.435 CCC(CCC(C)C)OCC(O)CO 34a_100011216567_100011219619 [0,1,0,0,1,0|0,0,0]=2 2232 B13R0.435 CCC(CCC(C)C)OCC(O)CO 7a_100011216567_100011219619 [0,1,0,0,1,0|0,0,0]=2 2233 B13R0.435 CCC(CCC(C)C)OC[C@@H](C)CC 34a_100011216567_100009816398 [0,1,0,0,1,0|2,0,0]=4 2234 B13R0.435 CCC(CCC(C)C)OC[C@@H](C)CC 7a_100011216567_100009816398 [0,1,0,0,1,0|2,0,0]=4 2235 B13R0.435 CCC(CCC(C)C)OC[C@@H](C)CO 34a_100011216567_100000059175 [0,1,0,0,1,0|1,0,0]=3 2236 B13R0.435 CCC(CCC(C)C)OC[C@@H](C)CO 7a_100011216567_100000059175 [0,1,0,0,1,0|1,0,0]=3 2237 B13R0.435 CCC(CCC(C)C)OC[C@@H](O)CF 34a_100011216567_100015614560 [0,1,0,0,1,0|1,0,0]=3 2238 B13R0.435 CCC(CCC(C)C)OC[C@@H](O)CF 7a_100011216567_100015614560 [0,1,0,0,1,0|1,0,0]=3 2239 B13R0.435 CCC(CCC(C)C)OC[C@@H](O)CO 34a_100011216567_100009815848 [0,1,0,0,1,0|0,0,0]=2 2240 B13R0.435 CCC(CCC(C)C)OC[C@@H](O)CO 7a_100011216567_100009815848 [0,1,0,0,1,0|0,0,0]=2 2241 B13R0.435 CCC(O)COC(CC)CCC(C)C 34a_100011216567_100011218378 [0,1,0,0,1,0|1,0,0]=3 2242 B13R0.435 CCC(O)COC(CC)CCC(C)C 7a_100011216567_100011218378 [0,1,0,0,1,0|1,0,0]=3 2243 B13R0.436 C=CC(O)COC(CC)CC(C)CC 7a_200011216566_100000730141 [0,1,0,0,1,0|1,0,1]=4 2244 B13R0.436 CCC(C)CC(CC)NCC(O)CC 270004a_100011218483_100000184709 [0,1,0,0,1,0|2,0,0]=4 2245 B13R0.436 CCC(C)CC(CC)NC[C@@H](F)CO 270004a_100015665980_100000184709 [0,1,0,0,1,0|2,0,0]=4 2246 B13R0.436 CCC(C)CC(CC)OCC(O)CC 7a_200011216566_100011218378 [0,1,0,0,1,0|1,0,0]=3 2247 B13R0.436 CCC(C)CC(CC)OCC(O)CO 7a_200011216566_100011219619 [0,1,0,0,1,0|0,0,0]=2 2248 B13R0.436 CCC(C)CC(CC)OC[C@@H](C)CC 7a_200011216566_100009816398 [0,1,0,0,1,0|2,0,0]=4 2249 B13R0.436 CCC(C)CC(CC)OC[C@@H](C)CO 7a_200011216566_100000059175 [0,1,0,0,1,0|1,0,0]=3 2250 B13R0.436 CCC(C)CC(CC)OC[C@@H](O)CF 7a_200011216566_100015614560 [0,1,0,0,1,0|1,0,0]=3 2251 B13R0.436 CCC(C)CC(CC)OC[C@@H](O)CO 7a_200011216566_100009815848 [0,1,0,0,1,0|0,0,0]=2 2252 B13R0.436 CCC(C)COC(CC)CC(C)CC 7a_200011216566_100000748023 [0,1,0,0,1,0|2,0,0]=4 2253 B13R0.436 CC[C@@H](CC(=O)OC)OCC(O)CO 7a_200015357724_100011219619 [0,1,0,0,1,0|1,0,1]=4 2254 B13R0.436 CC[C@@H](CC(=O)OC)OC[C@@H](O)CO 7a_200015357724_100009815848 [0,1,0,0,1,0|1,0,1]=4 2255 B13R0.523 C=CC(O)COC(CCC)CCCC 34a_100011215800_100000730141 [0,1,0,0,1,0|1,0,1]=4 2256 B13R0.523 C=CC(O)COC(CCC)CCCC 7a_100011215800_100000730141 [0,1,0,0,1,0|1,0,1]=4 2257 B13R0.523 C=CCC(CCCC)OCC(O)CC 34a_200011216941_100011218378 [0,1,0,0,1,0|1,0,1]=4 2258 B13R0.523 C=CCC(CCCC)OCC(O)CC 7a_200011216941_100011218378 [0,1,0,0,1,0|1,0,1]=4 2259 B13R0.523 C=CCC(CCCC)OCC(O)CO 34a_200011216941_100011219619 [0,1,0,0,1,0|0,0,1]=3 2260 B13R0.523 C=CCC(CCCC)OCC(O)CO 7a_200011216941_100011219619 [0,1,0,0,1,0|0,0,1]=3 2261 B13R0.523 C=CCC(CCCC)OC[C@@H](C)CO 34a_200011216941_100000059175 [0,1,0,0,1,0|1,0,1]=4 2262 B13R0.523 C=CCC(CCCC)OC[C@@H](C)CO 7a_200011216941_100000059175 [0,1,0,0,1,0|1,0,1]=4 2263 B13R0.523 C=CCC(CCCC)OC[C@@H](O)CF 34a_200011216941_100015614560 [0,1,0,0,1,0|1,0,1]=4 2264 B13R0.523 C=CCC(CCCC)OC[C@@H](O)CF 7a_200011216941_100015614560 [0,1,0,0,1,0|1,0,1]=4 2265 B13R0.523 C=CCC(CCCC)OC[C@@H](O)CO 34a_200011216941_100009815848 [0,1,0,0,1,0|0,0,1]=3 2266 B13R0.523 C=CCC(CCCC)OC[C@@H](O)CO 7a_200011216941_100009815848 [0,1,0,0,1,0|0,0,1]=3 2267 B13R0.523 CCCCC(CCC)NCC(C)CO 34a_100000744482_100000211913 [0,1,0,0,1,0|2,0,0]=4 2268 B13R0.523 CCCCC(CCC)NC[C@@H](F)CO 34a_100015665980_100000211913 [0,1,0,0,1,0|2,0,0]=4 2269 B13R0.523 CCCCC(CCC)OCC(C)CC 34a_100011215800_100000748023 [0,1,0,0,1,0|2,0,0]=4 2270 B13R0.523 CCCCC(CCC)OCC(C)CC 7a_100011215800_100000748023 [0,1,0,0,1,0|2,0,0]=4 2271 B13R0.523 CCCCC(CCC)OCC(C)CN 34a_100000744482_100000211913 [0,1,0,0,1,0|2,0,0]=4 2272 B13R0.523 CCCCC(CCC)OCC(Cl)CCl 34a_100000033668_100000211913 [0,1,0,0,1,0|2,0,0]=4 2273 B13R0.523 CCCCC(CCC)OCC(O)CC 34a_100011215800_100011218378 [0,1,0,0,1,0|1,0,0]=3 2274 B13R0.523 CCCCC(CCC)OCC(O)CC 7a_100011215800_100011218378 [0,1,0,0,1,0|1,0,0]=3 2275 B13R0.523 CCCCC(CCC)OCC(O)CO 34a_100011215800_100011219619 [0,1,0,0,1,0|0,0,0]=2 2276 B13R0.523 CCCCC(CCC)OCC(O)CO 7a_100011215800_100011219619 [0,1,0,0,1,0|0,0,0]=2 2277 B13R0.523 CCCCC(CCC)OC[C@@H](C)CC 34a_100011215800_100009816398 [0,1,0,0,1,0|2,0,0]=4 2278 B13R0.523 CCCCC(CCC)OC[C@@H](C)CC 7a_100009816381_100000211913 [0,1,0,0,1,0|2,0,0]=4 2279 B13R0.523 CCCCC(CCC)OC[C@@H](C)CC 7a_100011215800_100009816398 [0,1,0,0,1,0|2,0,0]=4 2280 B13R0.523 CCCCC(CCC)OC[C@@H](C)CO 34a_100011215800_100000059175 [0,1,0,0,1,0|1,0,0]=3 2281 B13R0.523 CCCCC(CCC)OC[C@@H](C)CO 7a_100011215800_100000059175 [0,1,0,0,1,0|1,0,0]=3 2282 B13R0.523 CCCCC(CCC)OC[C@@H](O)CF 34a_100011215800_100015614560 [0,1,0,0,1,0|1,0,0]=3 2283 B13R0.523 CCCCC(CCC)OC[C@@H](O)CF 7a_100011215800_100015614560 [0,1,0,0,1,0|1,0,0]=3 2284 B13R0.523 CCCCC(CCC)OC[C@@H](O)CO 34a_100011215800_100009815848 [0,1,0,0,1,0|0,0,0]=2 2285 B13R0.523 CCCCC(CCC)OC[C@@H](O)CO 7a_100011215800_100009815848 [0,1,0,0,1,0|0,0,0]=2 2286 B13R0.523 CCCCC(CCC)OC[C@H](F)CN 34a_100015665980_100000211913 [0,1,0,0,1,0|2,0,0]=4 2287 B13R0.523 CCCCC(CCC)SCC(O)CC 62a_100000211913_100011218378 [0,1,0,0,1,0|1,1,0]=4 2288 B13R0.523 CCCCC(CCC)SCC(O)CC 62a_100011218378_100000211913 [0,1,0,0,1,0|1,1,0]=4 2289 B13R0.523 CCCCC(CCC)SCC(O)CO 62a_100000211913_100011219619 [0,1,0,0,1,0|0,1,0]=3 2290 B13R0.523 CCCCC(CCC)SCC(O)CO 62a_100011219619_100000211913 [0,1,0,0,1,0|0,1,0]=3 2291 B13R0.523 CCCCC(CCC)SC[C@@H](C)CO 62a_100000059175_100000211913 [0,1,0,0,1,0|1,1,0]=4 2292 B13R0.523 CCCCC(CCC)SC[C@@H](C)CO 62a_100000211913_100000059175 [0,1,0,0,1,0|1,1,0]=4 2293 B13R0.523 CCCCC(CCC)SC[C@@H](O)CF 62a_100000211913_100015614560 [0,1,0,0,1,0|1,1,0]=4 2294 B13R0.523 CCCCC(CCC)SC[C@@H](O)CF 62a_100015614560_100000211913 [0,1,0,0,1,0|1,1,0]=4 2295 B13R0.523 CCCCC(CCC)SC[C@@H](O)CO 62a_100000211913_100009815848 [0,1,0,0,1,0|0,1,0]=3 2296 B13R0.523 CCCCC(CCC)SC[C@@H](O)CO 62a_100009815848_100000211913 [0,1,0,0,1,0|0,1,0]=3 2297 B13R0.658 C#CC(CC)OCC(CC)CCCC 34a_100000758843_100000211942 [0,1,0,0,1,0|2,0,0]=4 2298 B13R0.658 C#CC(CC)OCC(CC)CCCC 7a_100000758843_100000211942 [0,1,0,0,1,0|2,0,0]=4 2299 B13R0.658 C=CC(CC)OCC(CC)CCCC 34a_100000766422_100000211942 [0,1,0,0,1,0|2,0,0]=4 2300 B13R0.658 C=CC(CC)OCC(CC)CCCC 7a_100000766422_100000211942 [0,1,0,0,1,0|2,0,0]=4 2301 B13R0.658 C=C[C@@H](CO)NCC(CC)CCCC 2230a_100016989147_100000211942 [0,1,0,0,1,0|2,0,0]=4 2302 B13R0.658 C=C[C@@H](CO)NCC(CC)CCCC 269862a_100016989147_100011219736 [0,1,0,0,1,0|2,0,0]=4 2303 B13R0.658 C=C[C@@H](CO)NCC(CC)CCCC 270004a_100016989147_100011219736 [0,1,0,0,1,0|2,0,0]=4 2304 B13R0.658 C=C[C@@H](CO)NCC(CC)CCCC 34a_100016989147_100000211942 [0,1,0,0,1,0|2,0,0]=4 2305 B13R0.658 CCCCC(CC)CNC(CO)CO 2230a_100000759517_100000211942 [0,1,0,0,1,0|1,0,0]=3 2306 B13R0.658 CCCCC(CC)CN[C@@H](CC)CO 2230a_100000709445_100000211942 [0,1,0,0,1,0|2,0,0]=4 2307 B13R0.658 CCCCC(CC)CN[C@@H](CC)CO 269862a_100000709445_100011219736 [0,1,0,0,1,0|2,0,0]=4 2308 B13R0.658 CCCCC(CC)CN[C@@H](CC)CO 270004a_100000709445_100011219736 [0,1,0,0,1,0|2,0,0]=4 2309 B13R0.658 CCCCC(CC)COC(CC)CC 7a_100000210273_100000210505 [0,1,0,0,1,0|2,0,0]=4 2310 B13R0.658 CCCCC(CC)COC(CC)CC 7a_100000688536_100000211942 [0,1,0,0,1,0|2,0,0]=4 2311 B13R0.658 CCCCC(CC)COC(CCl)CCl 7a_100000737055_100000211942 [0,1,0,0,1,0|2,0,0]=4 2312 B13R0.658 CCCCC(CC)COC(CF)CF 34a_100000032261_100000211942 [0,1,0,0,1,0|2,0,0]=4 2313 B13R0.658 CCCCC(CC)COC(CF)CF 7a_100000032261_100000211942 [0,1,0,0,1,0|2,0,0]=4 2314 B13R0.658 CCCCC(CC)COC(CN)CN 34a_100000031598_100000211942 [0,1,0,0,1,0|2,0,0]=4 2315 B13R0.658 CCCCC(CC)CO[C@@H](CF)CCl 34a_100015614560_100000211942 [0,1,0,0,1,0|2,0,0]=4 2316 B13R0.658 CCCCC(CC)CO[C@@H](CF)CCl 7a_100015614560_100000211942 [0,1,0,0,1,0|2,0,0]=4 2317 B13R0.658 CCCCC(CC)NCC(CC)OC 270004a_100000731041_100000753412 [0,1,0,0,1,0|2,0,0]=4 2318 B13R0.658 CCCCC(CC)OCC(CC)CC 34a_100011215227_100011215472 [0,1,0,0,1,0|2,0,0]=4 2319 B13R0.658 CCCCC(CC)OCC(CC)CC 7a_100000703878_200011216223 [0,1,0,0,1,0|2,0,0]=4 2320 B13R0.658 CCCCC(CC)OCC(CC)CC 7a_100011215227_100011215472 [0,1,0,0,1,0|2,0,0]=4 2321 B13R0.658 CCCCC(CC)OCC(CC)OC 34a_100011934954_200011216223 [0,1,0,0,1,0|1,0,0]=3 2322 B13R0.658 CCCCC(CC)OCC(CC)OC 7a_100011934954_200011216223 [0,1,0,0,1,0|1,0,0]=3 2323 B13R0.658 CCCCC(CC)OCC(OC)OC 34a_100011215227_100000211822 [0,1,0,0,1,0|2,0,0]=4 2324 B13R0.658 CCCCC(CC)OCC(OC)OC 34a_100011216393_200011216223 [0,1,0,0,1,0|2,0,0]=4 2325 B13R0.658 CCCCC(CC)OCC(OC)OC 7a_100011215227_100000751394 [0,1,0,0,1,0|2,0,0]=4 2326 B13R0.748 C#CC(OCC(O)CO)C(C)CCC 34a_200011216176_100011219619 [0,1,0,0,1,0|0,0,2]=4 2327 B13R0.748 C#CC(OCC(O)CO)C(C)CCC 7a_200011216176_100011219619 [0,1,0,0,1,0|0,0,2]=4 2328 B13R0.748 C#CC(OC[C@@H](O)CO)C(C)CCC 34a_200011216176_100009815848 [0,1,0,0,1,0|0,0,2]=4 2329 B13R0.748 C#CC(OC[C@@H](O)CO)C(C)CCC 7a_200011216176_100009815848 [0,1,0,0,1,0|0,0,2]=4 2330 B13R0.748 C=CC(O)COC(CC)C(C)CCC 34a_200011218412_100000730141 [0,1,0,0,1,0|1,0,1]=4 2331 B13R0.748 C=CC(O)COC(CC)C(C)CCC 7a_200011218412_100000730141 [0,1,0,0,1,0|1,0,1]=4 2332 B13R0.748 CCCC(C)C(CC)OCC(C)CC 34a_200011218412_100000748023 [0,1,0,0,1,0|2,0,0]=4 2333 B13R0.748 CCCC(C)C(CC)OCC(C)CC 7a_200011218412_100000748023 [0,1,0,0,1,0|2,0,0]=4 2334 B13R0.748 CCCC(C)C(CC)OCC(O)CC 34a_200011218412_100011218378 [0,1,0,0,1,0|1,0,0]=3 2335 B13R0.748 CCCC(C)C(CC)OCC(O)CC 7a_200011218412_100011218378 [0,1,0,0,1,0|1,0,0]=3 2336 B13R0.748 CCCC(C)C(CC)OCC(O)CO 34a_200011218412_100011219619 [0,1,0,0,1,0|0,0,0]=2 2337 B13R0.748 CCCC(C)C(CC)OCC(O)CO 7a_200011218412_100011219619 [0,1,0,0,1,0|0,0,0]=2 2338 B13R0.748 CCCC(C)C(CC)OC[C@@H](C)CC 34a_200011218412_100009816398 [0,1,0,0,1,0|2,0,0]=4 2339 B13R0.748 CCCC(C)C(CC)OC[C@@H](C)CC 7a_200011218412_100009816398 [0,1,0,0,1,0|2,0,0]=4 2340 B13R0.748 CCCC(C)C(CC)OC[C@@H](C)CO 34a_200011218412_100000059175 [0,1,0,0,1,0|1,0,0]=3 2341 B13R0.748 CCCC(C)C(CC)OC[C@@H](C)CO 7a_200011218412_100000059175 [0,1,0,0,1,0|1,0,0]=3 2342 B13R0.748 CCCC(C)C(CC)OC[C@@H](O)CF 34a_200011218412_100015614560 [0,1,0,0,1,0|1,0,0]=3 2343 B13R0.748 CCCC(C)C(CC)OC[C@@H](O)CF 7a_200011218412_100015614560 [0,1,0,0,1,0|1,0,0]=3 2344 B13R0.748 CCCC(C)C(CC)OC[C@@H](O)CO 34a_200011218412_100009815848 [0,1,0,0,1,0|0,0,0]=2 2345 B13R0.748 CCCC(C)C(CC)OC[C@@H](O)CO 7a_200011218412_100009815848 [0,1,0,0,1,0|0,0,0]=2 2346 B13R0.748 CCOC(=O)C(CC)OCC(O)CO 34a_100011216719_100011219619 [0,1,0,0,1,0|1,0,1]=4 2347 B13R0.748 CCOC(=O)C(CC)OCC(O)CO 7a_100011216719_100011219619 [0,1,0,0,1,0|1,0,1]=4 2348 B13R0.748 CCOC(=O)C(CC)OC[C@@H](O)CO 34a_100011216719_100009815848 [0,1,0,0,1,0|1,0,1]=4 2349 B13R0.748 CCOC(=O)C(CC)OC[C@@H](O)CO 7a_100011216719_100009815848 [0,1,0,0,1,0|1,0,1]=4 2350 B13R0.1052 C#CC(CCCCC)OCC(O)CO 34a_100011216489_100011219619 [0,1,0,0,1,0|0,0,2]=4 2351 B13R0.1052 C#CC(CCCCC)OCC(O)CO 7a_100011216489_100011219619 [0,1,0,0,1,0|0,0,2]=4 2352 B13R0.1052 C#CC(CCCCC)OC[C@@H](O)CO 34a_100011216489_100009815848 [0,1,0,0,1,0|0,0,2]=4 2353 B13R0.1052 C#CC(CCCCC)OC[C@@H](O)CO 7a_100011216489_100009815848 [0,1,0,0,1,0|0,0,2]=4 2354 B13R0.1052 C=CC(CCCCC)OCC(O)CO 34a_100011216863_100011219619 [0,1,0,0,1,0|0,0,2]=4 2355 B13R0.1052 C=CC(CCCCC)OCC(O)CO 7a_100011216863_100011219619 [0,1,0,0,1,0|0,0,2]=4 2356 B13R0.1052 C=CC(CCCCC)OC[C@@H](O)CO 34a_100011216863_100009815848 [0,1,0,0,1,0|0,0,2]=4 2357 B13R0.1052 C=CC(CCCCC)OC[C@@H](O)CO 7a_100011216863_100009815848 [0,1,0,0,1,0|0,0,2]=4 2358 B13R0.1052 C=CC(O)COC(CC)CCCCC 34a_100011215405_100000730141 [0,1,0,0,1,0|1,0,1]=4 2359 B13R0.1052 C=CC(O)COC(CC)CCCCC 7a_100011215405_100000730141 [0,1,0,0,1,0|1,0,1]=4 2360 B13R0.1052 CCCCCC(CC)NCC(O)CC 270004a_100011218483_100011215316 [0,1,0,0,1,0|2,0,0]=4 2361 B13R0.1052 CCCCCC(CC)NC[C@@H](F)CO 270004a_100015665980_100011215316 [0,1,0,0,1,0|2,0,0]=4 2362 B13R0.1052 CCCCCC(CC)OCC(C)CC 34a_100011215405_100000748023 [0,1,0,0,1,0|2,0,0]=4 2363 B13R0.1052 CCCCCC(CC)OCC(C)CC 7a_100011215405_100000748023 [0,1,0,0,1,0|2,0,0]=4 2364 B13R0.1052 CCCCCC(CC)OCC(O)CC 34a_100011215405_100011218378 [0,1,0,0,1,0|1,0,0]=3 2365 B13R0.1052 CCCCCC(CC)OCC(O)CC 7a_100011215405_100011218378 [0,1,0,0,1,0|1,0,0]=3 2366 B13R0.1052 CCCCCC(CC)OCC(O)CO 34a_100011215405_100011219619 [0,1,0,0,1,0|0,0,0]=2 2367 B13R0.1052 CCCCCC(CC)OCC(O)CO 7a_100011215405_100011219619 [0,1,0,0,1,0|0,0,0]=2 2368 B13R0.1052 CCCCCC(CC)OC[C@@H](C)CC 34a_100011215405_100009816398 [0,1,0,0,1,0|2,0,0]=4 2369 B13R0.1052 CCCCCC(CC)OC[C@@H](C)CC 7a_100011215405_100009816398 [0,1,0,0,1,0|2,0,0]=4 2370 B13R0.1052 CCCCCC(CC)OC[C@@H](C)CO 34a_100011215405_100000059175 [0,1,0,0,1,0|1,0,0]=3 2371 B13R0.1052 CCCCCC(CC)OC[C@@H](C)CO 7a_100011215405_100000059175 [0,1,0,0,1,0|1,0,0]=3 2372 B13R0.1052 CCCCCC(CC)OC[C@@H](O)CF 34a_100011215405_100015614560 [0,1,0,0,1,0|1,0,0]=3 2373 B13R0.1052 CCCCCC(CC)OC[C@@H](O)CF 7a_100011215405_100015614560 [0,1,0,0,1,0|1,0,0]=3 2374 B13R0.1052 CCCCCC(CC)OC[C@@H](O)CO 34a_100011215405_100009815848 [0,1,0,0,1,0|0,0,0]=2 2375 B13R0.1052 CCCCCC(CC)OC[C@@H](O)CO 7a_100011215405_100009815848 [0,1,0,0,1,0|0,0,0]=2 2376 B13R0.1135 CCCCC(CC)CNC(C)(C)CO 2230a_100000210608_100000211942 [0,1,0,0,1,0|2,0,0]=4 2377 B13R0.1135 CCCCC(CC)CNC(C)(C)CO 270004a_100000210608_100011219736 [0,1,0,0,1,0|2,0,0]=4 2378 B13R0.1135 CCCCC(CC)COC(C)(C)CC 7a_100000210230_100000211942 [0,1,0,0,1,0|2,0,0]=4 2379 B13R0.1135 CCCCC(CC)COC(C)(C)CC 7a_100000210273_100000210677 [0,1,0,0,1,0|2,0,0]=4 2380 B13R0.1135 CCCCC(CC)COC(C)(C)CCl 7a_100000764493_100000211942 [0,1,0,0,1,0|2,0,0]=4 2381 B13R0.1135 CCCCC(CC)CSC(F)(F)CO 62a_100000211942_100011217949 [0,1,0,0,1,0|1,1,0]=4 2382 B13R0.1135 CCCCC(CC)CSC(F)(F)CO 62a_100011217949_100000211942 [0,1,0,0,1,0|1,1,0]=4 2383 B13R0.1135 CCCCC(CC)NCC(C)(C)CO 270004a_100020635058_100000753412 [0,1,0,0,1,0|2,0,0]=4 2384 B13R0.1135 CCCCC(CC)OCC(C)(C)CC 7a_100000765029_200011216223 [0,1,0,0,1,0|2,0,0]=4 2385 B13R0.1135 CCCCC(CC)OCC(C)(C)CCl 7a_100011217199_200011216223 [0,1,0,0,1,0|2,0,0]=4 2386 B13R0.1135 CCCCC(CC)OCC(C)(C)CO 34a_100011215227_100009813988 [0,1,0,0,1,0|1,0,0]=3 2387 B13R0.1135 CCCCC(CC)OCC(C)(C)CO 7a_100011215227_100009813988 [0,1,0,0,1,0|1,0,0]=3 2388 B13R0.1135 CCCCC(CC)OCC(F)(F)CN 34a_100000703232_200011216223 [0,1,0,0,1,0|2,0,0]=4 2389 B13R0.1135 CCCCC(CC)SCC(C)(C)CO 62a_100009813988_200011216223 [0,1,0,0,1,0|1,1,0]=4 2390 B13R0.1135 CCCCC(CC)SCC(C)(C)CO 62a_200011216223_100009813988 [0,1,0,0,1,0|1,1,0]=4 2391 B13R0.1197 CCCCC(CC)CC(=O)C(O)CC 1458a_100011196387_100000211942 [0,1,0,0,1,0|1,0,1]=4 2392 B13R0.1197 CCCCC(CC)CC(=O)C(O)CO 1458a_100011215603_100000211942 [0,1,0,0,1,0|0,0,1]=3 2393 B13R0.1197 CCCCC(CC)CN(C)C(C)CO 2230a_100000693034_100000211942 [0,1,0,0,1,0|2,0,0]=4 2394 B13R0.1197 CCCCC(CC)CN(C)C(C)CO 269982a_100000693034_100000211942 [0,1,0,0,1,0|2,0,0]=4 2395 B13R0.1197 CCCCC(CC)CN(C)C(C)CO 270004a_100000693034_100011219736 [0,1,0,0,1,0|2,0,0]=4 2396 B13R0.1197 CCCCC(CC)OC(C)C(C)CC 7a_100011215189_200011216223 [0,1,0,0,1,0|2,0,0]=4 2397 B13R0.1300 CCCCC(NCC(O)CC)C(C)C 270004a_100011218483_200011215219 [0,1,0,0,1,0|2,0,0]=4 2398 B13R0.1300 CCCCC(NC[C@@H](F)CO)C(C)C 270004a_100015665980_200011215219 [0,1,0,0,1,0|2,0,0]=4 2399 B13R0.1659 C=CC(O)COC(C)(CC)CCCC 7a_200011218725_100000730141 [0,1,0,0,1,0|1,0,1]=4 2400 B13R0.1659 CCCCC(C)(CC)OCC(C)CC 7a_200011218725_100000748023 [0,1,0,0,1,0|2,0,0]=4 2401 B13R0.1659 CCCCC(C)(CC)OCC(O)CC 7a_200011218725_100011218378 [0,1,0,0,1,0|1,0,0]=3 2402 B13R0.1659 CCCCC(C)(CC)OCC(O)CO 7a_200011218725_100011219619 [0,1,0,0,1,0|0,0,0]=2 2403 B13R0.1659 CCCCC(C)(CC)OC[C@@H](C)CC 7a_200011218725_100009816398 [0,1,0,0,1,0|2,0,0]=4 2404 B13R0.1659 CCCCC(C)(CC)OC[C@@H](C)CO 7a_200011218725_100000059175 [0,1,0,0,1,0|1,0,0]=3 2405 B13R0.1659 CCCCC(C)(CC)OC[C@@H](O)CF 7a_200011218725_100015614560 [0,1,0,0,1,0|1,0,0]=3 2406 B13R0.1659 CCCCC(C)(CC)OC[C@@H](O)CO 7a_200011218725_100009815848 [0,1,0,0,1,0|0,0,0]=2 2407 B15R0.349 CCCCC(CC)COCCC(N)C(C)C 34a_100161115045_100000211942 [0,1,0,0,0,1|2,0,0]=4 2408 B15R0.355 CCCCC(CC)COCC[C@@H](N)CCC 34a_100015193777_100000211942 [0,1,0,0,0,1|2,0,0]=4 2409 B15R0.1301 C=CC(O)COC(C)CC(CC)CCCC 7a_200011290772_100000730141 [0,1,0,0,0,1|1,0,1]=4 2410 B15R0.1301 CCCCC(CC)CC(C)OCC(O)CC 7a_200011290772_100011218378 [0,1,0,0,0,1|1,0,0]=3 2411 B15R0.1301 CCCCC(CC)CC(C)OCC(O)CO 7a_200011290772_100011219619 [0,1,0,0,0,1|0,0,0]=2 2412 B15R0.1301 CCCCC(CC)CC(C)OC[C@@H](C)CO 7a_200011290772_100000059175 [0,1,0,0,0,1|1,0,0]=3 2413 B15R0.1301 CCCCC(CC)CC(C)OC[C@@H](O)CF 7a_200011290772_100015614560 [0,1,0,0,0,1|1,0,0]=3 2414 B15R0.1301 CCCCC(CC)CC(C)OC[C@@H](O)CO 7a_200011290772_100009815848 [0,1,0,0,0,1|0,0,0]=2 2415 B15R0.1301 CCCCN(CC)CC(=O)NCC(O)CO 2230a_100000207695_200012027429 [0,1,0,0,0,1|2,0,0]=4 2416 B15R0.1301 CCCCN(CC)CC(=O)NCC(O)CO 269982a_100000207695_200012027429 [0,1,0,0,0,1|2,0,0]=4 2417 B15R0.1962 CCCCC(CC)CCCN(C)C(C)CO 2230a_100011691468_100012180447 [0,1,0,0,0,1|2,0,0]=4 2418 B15R0.1962 CCCCC(CC)CCCN(C)[C@H](C)CO 269982a_100011691468_100016084084 [0,1,0,0,0,1|2,0,0]=4 2419 B15R0.2325 CCCCC(CC)NCCCC(C)(C)CO 270004a_100000039164_100000753412 [0,1,0,0,0,1|2,0,0]=4 2420 B15R0.3120 CCCCN(CC)C(=O)CNC[C@H](O)CO 2230a_100020644852_100000230192 [0,1,0,0,0,1|2,0,0]=4 2421 B15R0.3120 CCCCN(CC)C(=O)CSCC(O)CO 62a_100011219619_100000230192 [0,1,0,0,0,1|1,1,0]=4 2422 B15R0.3120 CCCCN(CC)C(=O)CSC[C@@H](O)CO 62a_100009815848_100000230192 [0,1,0,0,0,1|1,1,0]=4 2423 B15R0.4144 CCCCC(CC)COCCC(OC)OC 34a_100000210273_100000139399 [0,1,0,0,0,1|2,0,0]=4 2424 B15R0.4144 CCCCC(CC)COCCC(OC)OC 7a_100000210273_100009813347 [0,1,0,0,0,1|2,0,0]=4 2425 B15R0.4186 CCCCC(CC)CCC(=O)CC(O)CC 1458a_100011216959_100011218378 [0,1,0,0,0,1|2,0,0]=4 2426 B15R0.4186 CCCCC(CC)CCC(=O)C[C@@H](C)CO 1458a_100011216959_100000059175 [0,1,0,0,0,1|2,0,0]=4 2427 B15R0.4186 CCCCC(CC)CNC(=O)CC(O)CC 1626a_100000209976_100011667805 [0,1,0,0,0,1|2,0,0]=4 2428 B15R0.4186 CCCCC(CC)CNC(=O)CC(O)CC 240690a_100000209976_100011667805 [0,1,0,0,0,1|2,0,0]=4 2429 B15R0.1811 CCCCC(CC)CNCC(O)C(F)(F)F 2230a_100000743304_100000211942 [0,2,0,0,0,0|2,0,0]=4 2430 B15R0.1811 CCCCC(CC)CNCC(O)C(F)(F)F 269862a_100000743304_100011219736 [0,2,0,0,0,0|2,0,0]=4 2431 B15R0.1811 CCCCC(CC)CNCC(O)C(F)(F)F 34a_100000743304_100000211942 [0,2,0,0,0,0|2,0,0]=4 2432 B15R0.1811 CCCCC(CC)CNC[C@@H](F)C(C)(C)O 269862a_100015379105_100011219736 [0,2,0,0,0,0|2,0,0]=4 2433 B15R0.1811 CCCCC(CC)CNC[C@@H](F)C(C)(C)O 270004a_100015379105_100011219736 [0,2,0,0,0,0|2,0,0]=4 2434 B15R0.1811 CCCCC(CC)COCC(Br)C(F)(F)F 34a_100009817051_100000211942 [0,2,0,0,0,0|2,0,0]=4 2435 B15R0.1811 CCCCC(CC)COCC(C)C(F)(F)F 34a_100010286394_100000211942 [0,2,0,0,0,0|2,0,0]=4 2436 B15R0.1811 CCCCC(CC)COCC(O)C(F)(F)F 34a_100000210273_100000185343 [0,2,0,0,0,0|1,0,0]=3 2437 B15R0.1811 CCCCC(CC)COCC(O)C(F)(F)F 7a_100000210273_100000185343 [0,2,0,0,0,0|1,0,0]=3 2438 B15R0.1811 CCCCC(CC)CSCC(O)C(F)(F)F 62a_100000185343_100000211942 [0,2,0,0,0,0|1,1,0]=4 2439 B15R0.1811 CCCCC(CC)CSCC(O)C(F)(F)F 62a_100000211942_100000185343 [0,2,0,0,0,0|1,1,0]=4 2440 B15R0.1812 CCCCC(CC)CNCC(CO)C(C)C 269862a_100000692819_100011219736 [0,2,0,0,0,0|2,0,0]=4 2441 B15R0.1812 CCCCC(CC)CNCC(CO)C(C)C 270004a_100000692819_100011219736 [0,2,0,0,0,0|2,0,0]=4 2442 B15R0.1812 CCCCC(CC)CNCC(CO)C(C)C 34a_100000692819_100000211942 [0,2,0,0,0,0|2,0,0]=4 2443 B15R0.1812 CCCCC(CC)COCC(CC)C(C)C 34a_100011995916_100000211942 [0,2,0,0,0,0|2,0,0]=4 2444 B15R0.1812 CCCCC(CC)COCC(CC)C(C)C 7a_100011995916_100000211942 [0,2,0,0,0,0|2,0,0]=4 2445 B15R0.1812 CCCCC(CC)COCC(CN)C(C)C 34a_100000692819_100000211942 [0,2,0,0,0,0|2,0,0]=4 2446 B15R0.4145 CCCCC(CC)COCC(F)(F)C(F)F 34a_100000210273_100000729011 [0,2,0,0,0,0|2,0,0]=4 2447 B15R0.4145 CCCCC(CC)COCC(F)(F)C(F)F 34a_100000210902_100000211942 [0,2,0,0,0,0|2,0,0]=4 2448 B15R0.346 CCCCC(CC)CN(C)CC(O)COC 2230a_100000739405_100000211942 [0,2,0,0,0,0|1,0,0]=3 2449 B15R0.346 CCCCC(CC)CN(C)CC(O)COC 269982a_100000739405_100000211942 [0,2,0,0,0,0|1,0,0]=3 2450 B15R0.346 CCCCC(CC)CN(C)CC(O)COC 270004a_100000739405_100011219736 [0,2,0,0,0,0|1,0,0]=3 2451 B15R0.350 CCCCC(CC)C(=O)N(C)CC(O)CO 240690a_100011216503_100000211130 [0,2,0,0,0,0|1,0,1]=4 2452 B15R0.350 CCCCC(CC)C(=O)N(C)CC(O)CO 527a_100011216503_100000211130 [0,2,0,0,0,0|1,0,1]=4 2453 B15R0.1305 CCCCC(CC)CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000211942 [0,2,0,0,0,0|1,0,0]=3 2454 B15R0.2383 CCCCC(CC)CC(=O)CC(C)(O)CC 1458a_200011219800_100000211942 [0,2,0,0,0,0|2,0,0]=4 2455 B15R0.2383 CCCCC(CC)CN(C)CC(C)(C)CO 2230a_100000732702_100000211942 [0,2,0,0,0,0|2,0,0]=4 2456 B15R0.2383 CCCCC(CC)CN(C)CC(C)(C)CO 269982a_100000732702_100000211942 [0,2,0,0,0,0|2,0,0]=4 2457 B15R0.2383 CCCCC(CC)CN(C)CC(C)(C)CO 270004a_100000732702_100011219736 [0,2,0,0,0,0|2,0,0]=4 2458 B15R0.4198 CCCCC(CC)CN(CC)CC(O)CC 2230a_100011365200_100000211942 [0,2,0,0,0,0|2,0,0]=4 2459 B15R0.4198 CCCCC(CC)CN(CC)CC(O)CC 269982a_100011365200_100000211942 [0,2,0,0,0,0|2,0,0]=4 2460 B15R0.4198 CCCCC(CC)CN(CC)CC(O)CC 270004a_100011365200_100011219736 [0,2,0,0,0,0|2,0,0]=4 2461 B15R0.4189 CCCCC(CC)COC(C)C(OC)OC 34a_100000210273_100011222894 [0,2,0,0,0,0|2,0,0]=4 2462 B15R0.4189 CCCCC(CC)COC(C)C(OC)OC 34a_100000754440_100000211942 [0,2,0,0,0,0|2,0,0]=4 2463 B15R0.4189 CCCCC(CC)COC(C)C(OC)OC 7a_100000754440_100000211942 [0,2,0,0,0,0|2,0,0]=4 2464 B15R0.2095 C=CC(O)COCC(CCC)CCCCC 34a_100011290854_100000730141 [0,2,0,0,0,0|1,0,1]=4 2465 B15R0.2095 C=CC(O)COCC(CCC)CCCCC 7a_100011290854_100000730141 [0,2,0,0,0,0|1,0,1]=4 2466 B15R0.2095 CCCCCC(CCC)COCC(O)CC 34a_100011290854_100011218378 [0,2,0,0,0,0|1,0,0]=3 2467 B15R0.2095 CCCCCC(CCC)COCC(O)CC 7a_100011290854_100011218378 [0,2,0,0,0,0|1,0,0]=3 2468 B15R0.2095 CCCCCC(CCC)COCC(O)CO 34a_100011290854_100011219619 [0,2,0,0,0,0|0,0,0]=2 2469 B15R0.2095 CCCCCC(CCC)COCC(O)CO 7a_100011290854_100011219619 [0,2,0,0,0,0|0,0,0]=2 2470 B15R0.2095 CCCCCC(CCC)COC[C@@H](C)CO 34a_100011290854_100000059175 [0,2,0,0,0,0|1,0,0]=3 2471 B15R0.2095 CCCCCC(CCC)COC[C@@H](C)CO 7a_100011290854_100000059175 [0,2,0,0,0,0|1,0,0]=3 2472 B15R0.2095 CCCCCC(CCC)COC[C@@H](O)CF 34a_100011290854_100015614560 [0,2,0,0,0,0|1,0,0]=3 2473 B15R0.2095 CCCCCC(CCC)COC[C@@H](O)CF 7a_100011290854_100015614560 [0,2,0,0,0,0|1,0,0]=3 2474 B15R0.2095 CCCCCC(CCC)COC[C@@H](O)CO 34a_100011290854_100009815848 [0,2,0,0,0,0|0,0,0]=2 2475 B15R0.2095 CCCCCC(CCC)COC[C@@H](O)CO 7a_100011290854_100009815848 [0,2,0,0,0,0|0,0,0]=2 2476 B15R0.1327 CCCCC(CC)CNCC(C)(C)COC 2230a_100000734190_100000211942 [0,2,0,0,0,0|2,0,0]=4 2477 B15R0.1327 CCCCC(CC)CNCC(C)(C)COC 269862a_100000734190_100011219736 [0,2,0,0,0,0|2,0,0]=4 2478 B15R0.1327 CCCCC(CC)CNCC(C)(C)COC 270004a_100000734190_100011219736 [0,2,0,0,0,0|2,0,0]=4 2479 B15R0.1327 CCCCC(CC)COCC(C)(C)NCC 7a_100000747347_100000211942 [0,2,0,0,0,0|2,0,0]=4 2480 B15R0.1327 CCCCC(CC)COC[N+](C)(C)CCO 7a_100000210273_200010270792 [0,2,0,0,0,0|2,0,0]=4 2481 B15R0.3061 CCCCC(CC)C(C)OCC(C)(C)CO 34a_200011290779_100009813988 [0,2,0,0,0,0|1,0,0]=3 2482 B15R0.3061 CCCCC(CC)C(C)OCC(C)(C)CO 7a_200011290779_100009813988 [0,2,0,0,0,0|1,0,0]=3 2483 B15R0.5829 CCCCC(CC)COCC(C)(OC)OC 34a_100000210273_100000766008 [0,2,0,0,0,0|2,0,0]=4 2484 B15R0.2255 CCCCCC(CC)C(=O)NC[C@H](O)CO 240690a_100020644852_100000697129 [0,2,0,0,0,0|1,0,1]=4 2485 B15R0.2255 CCCCCC(CC)C(=O)NC[C@H](O)CO 527a_100020644852_100000697129 [0,2,0,0,0,0|1,0,1]=4 2486 B15R0.2230 CCCCC(CC)C(C)OCC(OC)OC 34a_200011290779_100000211822 [0,2,0,0,0,0|2,0,0]=4 2487 B15R0.2230 CCCCC(CC)C(C)OCC(OC)OC 7a_200011290779_100000751394 [0,2,0,0,0,0|2,0,0]=4 2488 B15R0.4193 CCCCC(CC)CNCC(CC)OCC 2230a_100015183923_100000211942 [0,2,0,0,0,0|2,0,0]=4 2489 B15R0.4193 CCCCC(CC)CNCC(CC)OCC 269862a_100015183923_100011219736 [0,2,0,0,0,0|2,0,0]=4 2490 B15R0.4193 CCCCC(CC)CNCC(CC)OCC 270004a_100015183923_100011219736 [0,2,0,0,0,0|2,0,0]=4 2491 B15R0.4193 CCCCC(CC)CNCC(CC)OCC 34a_100015183923_100000211942 [0,2,0,0,0,0|2,0,0]=4 2492 B15R0.2 C#CCOC(C)COCC(CC)CCCC 34a_200000093152_100000211942 [0,2,0,0,0,0|2,0,0]=4 2493 B15R0.2 C#CCOC(C)COCC(CC)CCCC 7a_200000093152_100000211942 [0,2,0,0,0,0|2,0,0]=4 2494 B15R0.2 C=C(COCC(CC)CCCC)OCOC 34a_100000210273_100000042856 [0,2,0,0,0,0|1,0,1]=4 2495 B15R0.2 CCCCC(CC)CNCC(O)COCC 2230a_102515437182_100000211942 [0,2,0,0,0,0|1,0,0]=3 2496 B15R0.2 CCCCC(CC)CNCC(O)COCC 269862a_102515437182_100011219736 [0,2,0,0,0,0|1,0,0]=3 2497 B15R0.2 CCCCC(CC)CNCC(O)COCC 270004a_102515437182_100011219736 [0,2,0,0,0,0|1,0,0]=3 2498 B15R0.2 CCCCC(CC)CNCC(O)COCC 34a_102515437182_100000211942 [0,2,0,0,0,0|1,0,0]=3 2499 B15R0.2 CCCCC(CC)CNC[C@H](C)CCCO 2230a_100160569302_100000211942 [0,2,0,0,0,0|2,0,0]=4 2500 B15R0.2 CCCCC(CC)CNC[C@H](C)CCCO 269862a_100160569302_100011219736 [0,2,0,0,0,0|2,0,0]=4 2501 B15R0.2 CCCCC(CC)CNC[C@H](C)CCCO 270004a_100160569302_100011219736 [0,2,0,0,0,0|2,0,0]=4 2502 B15R0.2 CCCCC(CC)CNC[C@H](C)CCCO 34a_100160569302_100000211942 [0,2,0,0,0,0|2,0,0]=4 2503 B15R0.2 CCCCC(CC)COC[C@@H](C)OCOC 34a_100016172286_100000211942 [0,2,0,0,0,0|1,0,0]=3 2504 B15R0.2 CCCCC(CC)COC[C@@H](C)OCOC 7a_100016172286_100000211942 [0,2,0,0,0,0|1,0,0]=3 2505 B15R0.2 CCCCC(CC)COC[C@@H](N)CCCC 34a_100011934283_100000211942 [0,2,0,0,0,0|2,0,0]=4 2506 B15R0.2 CCCCC(CC)COC[C@@H](N)CCSC 34a_100011827619_100000211942 [0,2,0,0,0,0|1,1,0]=4 2507 B15R0.339 CCCCC(CC)CNCC(O)CC(=O)O 269956a_100011218706_100000211942 [0,2,0,0,0,0|1,0,0]=3 2508 B15R0.339 CCCCC(CC)CNCC(O)CN(C)C 269862a_100000737402_100011219736 [0,2,0,0,0,0|2,0,0]=4 2509 B15R0.339 CCCCC(CC)COCC(C)CN(C)C 7a_100000210273_100015348159 [0,2,0,0,0,0|2,0,0]=4 2510 B15R0.339 CCCCC(CC)COC[C@@H](N)CC(C)C 34a_100011830311_100000211942 [0,2,0,0,0,0|2,0,0]=4 2511 B15R0.4135 CCCCC(CC)C(=O)NCC(O)COC 240690a_100000756049_100000211130 [0,2,0,0,0,0|1,0,1]=4 2512 B15R0.4135 CCCCC(CC)C(=O)NCC(O)COC 527a_100000756049_100000211130 [0,2,0,0,0,0|1,0,1]=4 2513 B15R0.4135 CCCCC(CC)C(C)OCC(=O)NCO 34a_200011290779_100000185155 [0,2,0,0,0,0|0,0,2]=4 2514 B15R0.4135 CCCCC(CC)C(C)OCC(=O)NCO 7a_200011290779_100000185155 [0,2,0,0,0,0|0,0,2]=4 2515 B15R0.4135 CCCCC(CC)C(C)OCC(O)COC 34a_200011290779_100011215053 [0,2,0,0,0,0|0,0,0]=2 2516 B15R0.4135 CCCCC(CC)C(C)OCC(O)COC 7a_200011290779_100011215053 [0,2,0,0,0,0|0,0,0]=2 2517 B15R0.4135 CCCCC(CC)C(C)OC[C@@H](O)CC#N 7a_200011290779_100000001066 [0,2,0,0,0,0|1,0,0]=3 2518 B15R0.1322 C#CC(OCC(C)CC)C(CC)CCCC 34a_200011216404_100000748023 [0,2,0,0,0,0|2,0,0]=4 2519 B15R0.1322 C#CC(OCC(C)CC)C(CC)CCCC 7a_200011216404_100000748023 [0,2,0,0,0,0|2,0,0]=4 2520 B15R0.1322 C#CC(OCC(O)C=C)C(CC)CCCC 34a_200011216404_100000730141 [0,2,0,0,0,0|1,0,1]=4 2521 B15R0.1322 C#CC(OCC(O)C=C)C(CC)CCCC 7a_200011216404_100000730141 [0,2,0,0,0,0|1,0,1]=4 2522 B15R0.1322 C#CC(OCC(O)CC)C(CC)CCCC 34a_200011216404_100011218378 [0,2,0,0,0,0|1,0,0]=3 2523 B15R0.1322 C#CC(OCC(O)CC)C(CC)CCCC 7a_200011216404_100011218378 [0,2,0,0,0,0|1,0,0]=3 2524 B15R0.1322 C#CC(OCC(O)CO)C(CC)CCCC 34a_200011216404_100011219619 [0,2,0,0,0,0|0,0,0]=2 2525 B15R0.1322 C#CC(OCC(O)CO)C(CC)CCCC 7a_200011216404_100011219619 [0,2,0,0,0,0|0,0,0]=2 2526 B15R0.1322 C#CC(OC[C@@H](C)CC)C(CC)CCCC 34a_200011216404_100009816398 [0,2,0,0,0,0|2,0,0]=4 2527 B15R0.1322 C#CC(OC[C@@H](C)CC)C(CC)CCCC 7a_200011216404_100009816398 [0,2,0,0,0,0|2,0,0]=4 2528 B15R0.1322 C#CC(OC[C@@H](C)CO)C(CC)CCCC 34a_200011216404_100000059175 [0,2,0,0,0,0|1,0,0]=3 2529 B15R0.1322 C#CC(OC[C@@H](C)CO)C(CC)CCCC 7a_200011216404_100000059175 [0,2,0,0,0,0|1,0,0]=3 2530 B15R0.1322 C#CC(OC[C@@H](O)CF)C(CC)CCCC 34a_200011216404_100015614560 [0,2,0,0,0,0|1,0,0]=3 2531 B15R0.1322 C#CC(OC[C@@H](O)CF)C(CC)CCCC 7a_200011216404_100015614560 [0,2,0,0,0,0|1,0,0]=3 2532 B15R0.1322 C#CC(OC[C@@H](O)CO)C(CC)CCCC 34a_200011216404_100009815848 [0,2,0,0,0,0|0,0,0]=2 2533 B15R0.1322 C#CC(OC[C@@H](O)CO)C(CC)CCCC 7a_200011216404_100009815848 [0,2,0,0,0,0|0,0,0]=2 2534 B13R1.493 CCCOC1CN(C1)CC(O)CO 34a_200020626125_100011219619 [1,0,0,1,0,0|2,0,0]=4 2535 B13R1.493 CCCOC1CN(C1)C[C@@H](O)CO 34a_200020626125_100009815848 [1,0,0,1,0,0|2,0,0]=4 2536 B13R1.528 C=CC(O)COC1CCCCC1C 34a_100000211207_100000730141 [1,0,0,1,0,0|1,0,1]=4 2537 B13R1.528 C=CC(O)COC1CCCCC1C 7a_100000211207_100000730141 [1,0,0,1,0,0|1,0,1]=4 2538 B13R1.528 CC(CO)CNC1CCCCC1C 269862a_100000744482_100000210921 [1,0,0,1,0,0|2,0,0]=4 2539 B13R1.528 CC1CCCCC1NCC(O)CO 2230a_100000211402_100011219619 [1,0,0,1,0,0|1,0,0]=3 2540 B13R1.528 CC1CCCCC1NCC(O)CO 34a_100000211402_100011219619 [1,0,0,1,0,0|1,0,0]=3 2541 B13R1.528 CC1CCCCC1NC[C@@H](C)CO 2230a_100000211402_100000059175 [1,0,0,1,0,0|2,0,0]=4 2542 B13R1.528 CC1CCCCC1NC[C@@H](C)CO 34a_100000211402_100000059175 [1,0,0,1,0,0|2,0,0]=4 2543 B13R1.528 CC1CCCCC1NC[C@@H](F)CO 269862a_100015665980_100000210921 [1,0,0,1,0,0|2,0,0]=4 2544 B13R1.528 CC1CCCCC1NC[C@@H](F)CO 270004a_100015665980_100000210921 [1,0,0,1,0,0|2,0,0]=4 2545 B13R1.528 CC1CCCCC1NC[C@@H](O)CF 2230a_100000211402_100015614560 [1,0,0,1,0,0|2,0,0]=4 2546 B13R1.528 CC1CCCCC1NC[C@@H](O)CF 34a_100000211402_100015614560 [1,0,0,1,0,0|2,0,0]=4 2547 B13R1.528 CC1CCCCC1NC[C@@H](O)CO 2230a_100000211402_100009815848 [1,0,0,1,0,0|1,0,0]=3 2548 B13R1.528 CC1CCCCC1NC[C@@H](O)CO 34a_100000211402_100009815848 [1,0,0,1,0,0|1,0,0]=3 2549 B13R1.528 CC1CCCCC1NC[C@H](O)CO 269862a_100020644852_100000210921 [1,0,0,1,0,0|1,0,0]=3 2550 B13R1.528 CC1CCCCC1OCC(O)CO 34a_100000211207_100011219619 [1,0,0,1,0,0|0,0,0]=2 2551 B13R1.528 CC1CCCCC1OCC(O)CO 7a_100000211207_100011219619 [1,0,0,1,0,0|0,0,0]=2 2552 B13R1.528 CC1CCCCC1OC[C@@H](C)CO 34a_100000211207_100000059175 [1,0,0,1,0,0|1,0,0]=3 2553 B13R1.528 CC1CCCCC1OC[C@@H](C)CO 7a_100000211207_100000059175 [1,0,0,1,0,0|1,0,0]=3 2554 B13R1.528 CC1CCCCC1OC[C@@H](O)CF 34a_100000211207_100015614560 [1,0,0,1,0,0|1,0,0]=3 2555 B13R1.528 CC1CCCCC1OC[C@@H](O)CF 7a_100000211207_100015614560 [1,0,0,1,0,0|1,0,0]=3 2556 B13R1.528 CC1CCCCC1OC[C@@H](O)CO 34a_100000211207_100009815848 [1,0,0,1,0,0|0,0,0]=2 2557 B13R1.528 CC1CCCCC1OC[C@@H](O)CO 7a_100000211207_100009815848 [1,0,0,1,0,0|0,0,0]=2 2558 B13R1.528 CC1CCNCC1OCC(O)CO 34a_100000696640_100011219619 [1,0,0,1,0,0|1,0,0]=3 2559 B13R1.528 CC1CCNCC1OC[C@@H](C)CO 34a_100000696640_100000059175 [1,0,0,1,0,0|2,0,0]=4 2560 B13R1.528 CC1CCNCC1OC[C@@H](O)CF 34a_100000696640_100015614560 [1,0,0,1,0,0|2,0,0]=4 2561 B13R1.528 CC1CCNCC1OC[C@@H](O)CO 34a_100000696640_100009815848 [1,0,0,1,0,0|1,0,0]=3 2562 B13R1.528 CC1CNCCC1OCC(O)CO 34a_100011998114_100011219619 [1,0,0,1,0,0|1,0,0]=3 2563 B13R1.528 CC1CNCCC1OC[C@@H](C)CO 34a_100011998114_100000059175 [1,0,0,1,0,0|2,0,0]=4 2564 B13R1.528 CC1CNCCC1OC[C@@H](O)CF 34a_100011998114_100015614560 [1,0,0,1,0,0|2,0,0]=4 2565 B13R1.528 CC1CNCCC1OC[C@@H](O)CO 34a_100011998114_100009815848 [1,0,0,1,0,0|1,0,0]=3 2566 B13R1.528 CCC(C)COC1CCCCC1C 34a_100000211207_100000748023 [1,0,0,1,0,0|2,0,0]=4 2567 B13R1.528 CCC(C)COC1CCCCC1C 7a_100000211207_100000748023 [1,0,0,1,0,0|2,0,0]=4 2568 B13R1.528 CCC(O)CNC1CCCCC1C 2230a_100000211402_100011218378 [1,0,0,1,0,0|2,0,0]=4 2569 B13R1.528 CCC(O)CNC1CCCCC1C 269862a_100011218483_100000210921 [1,0,0,1,0,0|2,0,0]=4 2570 B13R1.528 CCC(O)CNC1CCCCC1C 270004a_100011218483_100000210921 [1,0,0,1,0,0|2,0,0]=4 2571 B13R1.528 CCC(O)CNC1CCCCC1C 34a_100000211402_100011218378 [1,0,0,1,0,0|2,0,0]=4 2572 B13R1.528 CCC(O)COC1CCCCC1C 34a_100000211207_100011218378 [1,0,0,1,0,0|1,0,0]=3 2573 B13R1.528 CCC(O)COC1CCCCC1C 7a_100000211207_100011218378 [1,0,0,1,0,0|1,0,0]=3 2574 B13R1.528 CCC(O)COC1CCCCC1Cl 34a_100000038908_100011218378 [1,0,0,1,0,0|2,0,0]=4 2575 B13R1.528 CCC(O)COC1CCCCC1Cl 7a_100000038908_100011218378 [1,0,0,1,0,0|2,0,0]=4 2576 B13R1.528 CCC(O)COC1CCNCC1C 34a_100011998114_100011218378 [1,0,0,1,0,0|2,0,0]=4 2577 B13R1.528 CCC(O)COC1CNCCC1C 34a_100000696640_100011218378 [1,0,0,1,0,0|2,0,0]=4 2578 B13R1.528 CCC(O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011218378 [1,0,0,1,0,0|2,0,0]=4 2579 B13R1.528 CCC(O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011218378 [1,0,0,1,0,0|2,0,0]=4 2580 B13R1.528 CCC(O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100011218378 [1,0,0,1,0,0|2,0,0]=4 2581 B13R1.528 CC[C@H](C)COC1CCCCC1C 34a_100000211207_100009816398 [1,0,0,1,0,0|2,0,0]=4 2582 B13R1.528 CC[C@H](C)COC1CCCCC1C 7a_100000211207_100009816398 [1,0,0,1,0,0|2,0,0]=4 2583 B13R1.528 C[C@@H](CO)COC1CCCCC1Cl 34a_100000038908_100000059175 [1,0,0,1,0,0|2,0,0]=4 2584 B13R1.528 C[C@@H](CO)COC1CCCCC1Cl 7a_100000038908_100000059175 [1,0,0,1,0,0|2,0,0]=4 2585 B13R1.528 C[C@@H](CO)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000059175 [1,0,0,1,0,0|2,0,0]=4 2586 B13R1.528 C[C@@H](CO)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000059175 [1,0,0,1,0,0|2,0,0]=4 2587 B13R1.528 C[C@@H](CO)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000059175 [1,0,0,1,0,0|2,0,0]=4 2588 B13R1.528 N[C@@H]1CCCC[C@@H]1OCC(O)CO 34a_100015191688_100011219619 [1,0,0,1,0,0|1,0,0]=3 2589 B13R1.528 N[C@@H]1CCCC[C@@H]1OC[C@@H](O)CF 34a_100015191688_100015614560 [1,0,0,1,0,0|2,0,0]=4 2590 B13R1.528 N[C@@H]1CCCC[C@@H]1OC[C@@H](O)CO 34a_100015191688_100009815848 [1,0,0,1,0,0|1,0,0]=3 2591 B13R1.528 N[C@@H]1CCOC[C@@H]1OCC(O)CO 34a_100016994285_100011219619 [1,0,0,1,0,0|2,0,0]=4 2592 B13R1.528 N[C@@H]1CCOC[C@@H]1OC[C@@H](O)CO 34a_100016994285_100009815848 [1,0,0,1,0,0|2,0,0]=4 2593 B13R1.528 N[C@H]1COCC[C@@H]1OCC(O)CO 34a_100015739063_100011219619 [1,0,0,1,0,0|2,0,0]=4 2594 B13R1.528 N[C@H]1COCC[C@@H]1OC[C@@H](O)CO 34a_100015739063_100009815848 [1,0,0,1,0,0|2,0,0]=4 2595 B13R1.528 O=C1CCCCC1OCC(O)CO 34a_100011214950_100011219619 [1,0,0,1,0,0|1,0,1]=4 2596 B13R1.528 O=C1CCCCC1OC[C@@H](O)CO 34a_100011214950_100009815848 [1,0,0,1,0,0|1,0,1]=4 2597 B13R1.528 OCC(O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011219619 [1,0,0,1,0,0|2,0,0]=4 2598 B13R1.528 OCC(O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011219619 [1,0,0,1,0,0|2,0,0]=4 2599 B13R1.528 OCC(O)COC1CCCCC1Cl 34a_100000038908_100011219619 [1,0,0,1,0,0|1,0,0]=3 2600 B13R1.528 OCC(O)COC1CCCCC1Cl 7a_100000038908_100011219619 [1,0,0,1,0,0|1,0,0]=3 2601 B13R1.528 OCC(O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011219619 [1,0,0,1,0,0|1,0,0]=3 2602 B13R1.528 OCC(O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011219619 [1,0,0,1,0,0|1,0,0]=3 2603 B13R1.528 OCC(O)CO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100011219619 [1,0,0,1,0,0|2,0,0]=4 2604 B13R1.528 OCC(O)CSC1CCCCC1F 62a_100011219619_100015423560 [1,0,0,1,0,0|1,1,0]=4 2605 B13R1.528 OCC(O)CSC1CCCCC1F 62a_100015423560_100011219619 [1,0,0,1,0,0|1,1,0]=4 2606 B13R1.528 OCC(O)CSC1CCCCC1O 62a_100000038908_100011219619 [1,0,0,1,0,0|1,1,0]=4 2607 B13R1.528 OCC(O)CSC1CCCCC1O 62a_100011219619_100000038908 [1,0,0,1,0,0|1,1,0]=4 2608 B13R1.528 OC[C@H](O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009815848 [1,0,0,1,0,0|2,0,0]=4 2609 B13R1.528 OC[C@H](O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009815848 [1,0,0,1,0,0|2,0,0]=4 2610 B13R1.528 OC[C@H](O)COC1CCCCC1Cl 34a_100000038908_100009815848 [1,0,0,1,0,0|1,0,0]=3 2611 B13R1.528 OC[C@H](O)COC1CCCCC1Cl 7a_100000038908_100009815848 [1,0,0,1,0,0|1,0,0]=3 2612 B13R1.528 OC[C@H](O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009815848 [1,0,0,1,0,0|1,0,0]=3 2613 B13R1.528 OC[C@H](O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100009815848 [1,0,0,1,0,0|1,0,0]=3 2614 B13R1.528 OC[C@H](O)CO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100009815848 [1,0,0,1,0,0|2,0,0]=4 2615 B13R1.528 OC[C@H](O)CSC1CCCCC1F 62a_100009815848_100015423560 [1,0,0,1,0,0|1,1,0]=4 2616 B13R1.528 OC[C@H](O)CSC1CCCCC1F 62a_100015423560_100009815848 [1,0,0,1,0,0|1,1,0]=4 2617 B13R1.528 OC[C@H](O)CSC1CCCCC1O 62a_100000038908_100009815848 [1,0,0,1,0,0|1,1,0]=4 2618 B13R1.528 OC[C@H](O)CSC1CCCCC1O 62a_100009815848_100000038908 [1,0,0,1,0,0|1,1,0]=4 2619 B13R1.528 O[C@@H](CF)COC1CCCCC1Cl 34a_100000038908_100015614560 [1,0,0,1,0,0|2,0,0]=4 2620 B13R1.528 O[C@@H](CF)COC1CCCCC1Cl 7a_100000038908_100015614560 [1,0,0,1,0,0|2,0,0]=4 2621 B13R1.528 O[C@@H](CF)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100015614560 [1,0,0,1,0,0|2,0,0]=4 2622 B13R1.528 O[C@@H](CF)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100015614560 [1,0,0,1,0,0|2,0,0]=4 2623 B13R1.683 CCCCC(C)COCC1CCC1 34a_100011995851_100000763275 [1,0,0,1,0,0|2,0,0]=4 2624 B13R1.683 CCCCC(C)COCC1CCC1 7a_100011995851_100000763275 [1,0,0,1,0,0|2,0,0]=4 2625 B13R1.683 CCCCC(C)COCC1CCO1 34a_100011995851_100000103362 [1,0,0,1,0,0|1,0,0]=3 2626 B13R1.683 CCCCC(C)COCC1CCO1 7a_100011995851_100000103362 [1,0,0,1,0,0|1,0,0]=3 2627 B13R1.683 CCCCC(C)COCC1COC1 34a_100011995851_100010264016 [1,0,0,1,0,0|1,0,0]=3 2628 B13R1.683 CCCCC(C)COCC1COC1 7a_100011995851_100010264016 [1,0,0,1,0,0|1,0,0]=3 2629 B13R1.683 CCCC[C@H](N)COCC1CCO1 34a_100011934283_100000103362 [1,0,0,1,0,0|2,0,0]=4 2630 B13R1.683 CCCC[C@H](N)COCC1COC1 34a_100011934283_100010264016 [1,0,0,1,0,0|2,0,0]=4 2631 B13R1.717 CN1CCC(C1)CSCC(O)CO 62a_100011219619_200000690779 [1,0,0,1,0,0|1,1,0]=4 2632 B13R1.717 CN1CCC(C1)CSCC(O)CO 62a_200000690779_100011219619 [1,0,0,1,0,0|1,1,0]=4 2633 B13R1.717 CN1CCC(C1)CSC[C@@H](O)CO 62a_100009815848_200000690779 [1,0,0,1,0,0|1,1,0]=4 2634 B13R1.717 CN1CCC(C1)CSC[C@@H](O)CO 62a_200000690779_100009815848 [1,0,0,1,0,0|1,1,0]=4 2635 B13R1.717 OCC(O)COC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100011219619 [1,0,0,1,0,0|2,0,0]=4 2636 B13R1.717 OC[C@H](O)COC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100009815848 [1,0,0,1,0,0|2,0,0]=4 2637 B13R1.718 C=CC(O)COCC1CCCCC1 34a_100000212181_100000730141 [1,0,0,1,0,0|1,0,1]=4 2638 B13R1.718 C=CC(O)COCC1CCCCC1 7a_100000212181_100000730141 [1,0,0,1,0,0|1,0,1]=4 2639 B13R1.718 CC(CN)COCC1CCCCC1 34a_100000744482_100000211423 [1,0,0,1,0,0|2,0,0]=4 2640 B13R1.718 CC(CO)CNCC1CCCCC1 269862a_100000744482_100000211278 [1,0,0,1,0,0|2,0,0]=4 2641 B13R1.718 CC(CO)CNCC1CCCCC1 34a_100000744482_100000211423 [1,0,0,1,0,0|2,0,0]=4 2642 B13R1.718 CCC(C)COCC1CCCCC1 34a_100000212181_100000748023 [1,0,0,1,0,0|2,0,0]=4 2643 B13R1.718 CCC(C)COCC1CCCCC1 7a_100000212181_100000748023 [1,0,0,1,0,0|2,0,0]=4 2644 B13R1.718 CCC(O)CNCC1CCCCC1 2230a_100000210473_100011218378 [1,0,0,1,0,0|2,0,0]=4 2645 B13R1.718 CCC(O)CNCC1CCCCC1 2230a_100011218483_100000211423 [1,0,0,1,0,0|2,0,0]=4 2646 B13R1.718 CCC(O)CNCC1CCCCC1 269862a_100011218483_100000211278 [1,0,0,1,0,0|2,0,0]=4 2647 B13R1.718 CCC(O)CNCC1CCCCC1 34a_100000210473_100011218378 [1,0,0,1,0,0|2,0,0]=4 2648 B13R1.718 CCC(O)COCC1CCCCC1 34a_100000212181_100011218378 [1,0,0,1,0,0|1,0,0]=3 2649 B13R1.718 CCC(O)COCC1CCCCC1 7a_100000212181_100011218378 [1,0,0,1,0,0|1,0,0]=3 2650 B13R1.718 CCC(O)COCC1CCCCN1 34a_100000210821_100011218378 [1,0,0,1,0,0|2,0,0]=4 2651 B13R1.718 CCC(O)COCC1CCCCO1 34a_100000211370_100011218378 [1,0,0,1,0,0|2,0,0]=4 2652 B13R1.718 CCC(O)COCC1CCCCO1 7a_100000211370_100011218378 [1,0,0,1,0,0|2,0,0]=4 2653 B13R1.718 CCC(O)COCC1CCCNC1 34a_100000211344_100011218378 [1,0,0,1,0,0|2,0,0]=4 2654 B13R1.718 CCC(O)COCC1CCCOC1 34a_100000741520_100011218378 [1,0,0,1,0,0|2,0,0]=4 2655 B13R1.718 CCC(O)COCC1CCNCC1 34a_100000738675_100011218378 [1,0,0,1,0,0|2,0,0]=4 2656 B13R1.718 CCC(O)COCC1CCOCC1 34a_100000749013_100011218378 [1,0,0,1,0,0|2,0,0]=4 2657 B13R1.718 CCC(O)COCC1CCSCC1 34a_100000070558_100011218378 [1,0,0,1,0,0|2,0,0]=4 2658 B13R1.718 CCC(O)COCC1CCSCC1 7a_100000070558_100011218378 [1,0,0,1,0,0|2,0,0]=4 2659 B13R1.718 CCC(O)CSCC1CCCCC1 62a_100000211423_100011218378 [1,0,0,1,0,0|1,1,0]=4 2660 B13R1.718 CCC(O)CSCC1CCCCC1 62a_100011218378_100000211423 [1,0,0,1,0,0|1,1,0]=4 2661 B13R1.718 CC[C@H](C)COCC1CCCCC1 34a_100000212181_100009816398 [1,0,0,1,0,0|2,0,0]=4 2662 B13R1.718 CC[C@H](C)COCC1CCCCC1 7a_100000212181_100009816398 [1,0,0,1,0,0|2,0,0]=4 2663 B13R1.718 CC[C@H](C)COCC1CCCCC1 7a_100009816381_100000211423 [1,0,0,1,0,0|2,0,0]=4 2664 B13R1.718 C[C@@H](CO)CNCC1CCCCC1 2230a_100000210473_100000059175 [1,0,0,1,0,0|2,0,0]=4 2665 B13R1.718 C[C@@H](CO)CNCC1CCCCC1 34a_100000210473_100000059175 [1,0,0,1,0,0|2,0,0]=4 2666 B13R1.718 C[C@@H](CO)COCC1CCCCC1 34a_100000212181_100000059175 [1,0,0,1,0,0|1,0,0]=3 2667 B13R1.718 C[C@@H](CO)COCC1CCCCC1 7a_100000212181_100000059175 [1,0,0,1,0,0|1,0,0]=3 2668 B13R1.718 C[C@@H](CO)COCC1CCCCN1 34a_100000210821_100000059175 [1,0,0,1,0,0|2,0,0]=4 2669 B13R1.718 C[C@@H](CO)COCC1CCCCO1 34a_100000211370_100000059175 [1,0,0,1,0,0|2,0,0]=4 2670 B13R1.718 C[C@@H](CO)COCC1CCCCO1 7a_100000211370_100000059175 [1,0,0,1,0,0|2,0,0]=4 2671 B13R1.718 C[C@@H](CO)COCC1CCCNC1 34a_100000211344_100000059175 [1,0,0,1,0,0|2,0,0]=4 2672 B13R1.718 C[C@@H](CO)COCC1CCCOC1 34a_100000741520_100000059175 [1,0,0,1,0,0|2,0,0]=4 2673 B13R1.718 C[C@@H](CO)COCC1CCNCC1 34a_100000738675_100000059175 [1,0,0,1,0,0|2,0,0]=4 2674 B13R1.718 C[C@@H](CO)COCC1CCOCC1 34a_100000749013_100000059175 [1,0,0,1,0,0|2,0,0]=4 2675 B13R1.718 C[C@@H](CO)COCC1CCSCC1 34a_100000070558_100000059175 [1,0,0,1,0,0|2,0,0]=4 2676 B13R1.718 C[C@@H](CO)COCC1CCSCC1 7a_100000070558_100000059175 [1,0,0,1,0,0|2,0,0]=4 2677 B13R1.718 C[C@@H](CO)CSCC1CCCCC1 62a_100000059175_100000211423 [1,0,0,1,0,0|1,1,0]=4 2678 B13R1.718 C[C@@H](CO)CSCC1CCCCC1 62a_100000211423_100000059175 [1,0,0,1,0,0|1,1,0]=4 2679 B13R1.718 ClCC(Cl)COCC1CCCCC1 34a_100000033668_100000211423 [1,0,0,1,0,0|2,0,0]=4 2680 B13R1.718 NC[C@@H](F)COCC1CCCCC1 34a_100015665980_100000211423 [1,0,0,1,0,0|2,0,0]=4 2681 B13R1.718 OCC(O)CNCC1CCCCC1 2230a_100000210473_100011219619 [1,0,0,1,0,0|1,0,0]=3 2682 B13R1.718 OCC(O)CNCC1CCCCC1 34a_100000210473_100011219619 [1,0,0,1,0,0|1,0,0]=3 2683 B13R1.718 OCC(O)CNCC1CCCCO1 2230a_100000174945_100011219619 [1,0,0,1,0,0|2,0,0]=4 2684 B13R1.718 OCC(O)CNCC1CCCCO1 34a_100000174945_100011219619 [1,0,0,1,0,0|2,0,0]=4 2685 B13R1.718 OCC(O)CNCC1CCCOC1 2230a_100000720124_100011219619 [1,0,0,1,0,0|2,0,0]=4 2686 B13R1.718 OCC(O)CNCC1CCCOC1 34a_100000720124_100011219619 [1,0,0,1,0,0|2,0,0]=4 2687 B13R1.718 OCC(O)CNCC1CCOCC1 2230a_100000746373_100011219619 [1,0,0,1,0,0|2,0,0]=4 2688 B13R1.718 OCC(O)CNCC1CCOCC1 34a_100000746373_100011219619 [1,0,0,1,0,0|2,0,0]=4 2689 B13R1.718 OCC(O)CNCC1CCSCC1 2230a_100015188806_100011219619 [1,0,0,1,0,0|2,0,0]=4 2690 B13R1.718 OCC(O)CNCC1CCSCC1 34a_100015188806_100011219619 [1,0,0,1,0,0|2,0,0]=4 2691 B13R1.718 OCC(O)COCC1CC=CCC1 34a_100000210713_100011219619 [1,0,0,1,0,0|0,0,2]=4 2692 B13R1.718 OCC(O)COCC1CCCCC1 34a_100000212181_100011219619 [1,0,0,1,0,0|0,0,0]=2 2693 B13R1.718 OCC(O)COCC1CCCCC1 7a_100000212181_100011219619 [1,0,0,1,0,0|0,0,0]=2 2694 B13R1.718 OCC(O)COCC1CCCCN1 34a_100000210821_100011219619 [1,0,0,1,0,0|1,0,0]=3 2695 B13R1.718 OCC(O)COCC1CCCCO1 34a_100000211370_100011219619 [1,0,0,1,0,0|1,0,0]=3 2696 B13R1.718 OCC(O)COCC1CCCCO1 7a_100000211370_100011219619 [1,0,0,1,0,0|1,0,0]=3 2697 B13R1.718 OCC(O)COCC1CCCNC1 34a_100000211344_100011219619 [1,0,0,1,0,0|1,0,0]=3 2698 B13R1.718 OCC(O)COCC1CCCOC1 34a_100000741520_100011219619 [1,0,0,1,0,0|1,0,0]=3 2699 B13R1.718 OCC(O)COCC1CCNCC1 34a_100000738675_100011219619 [1,0,0,1,0,0|1,0,0]=3 2700 B13R1.718 OCC(O)COCC1CCOCC1 34a_100000749013_100011219619 [1,0,0,1,0,0|1,0,0]=3 2701 B13R1.718 OCC(O)COCC1CCSCC1 34a_100000070558_100011219619 [1,0,0,1,0,0|1,0,0]=3 2702 B13R1.718 OCC(O)COCC1CCSCC1 7a_100000070558_100011219619 [1,0,0,1,0,0|1,0,0]=3 2703 B13R1.718 OCC(O)COC[C@@H]1CNCCO1 34a_100015189573_100011219619 [1,0,0,1,0,0|2,0,0]=4 2704 B13R1.718 OCC(O)COC[C@@H]1COCCN1 34a_100000717676_100011219619 [1,0,0,1,0,0|2,0,0]=4 2705 B13R1.718 OCC(O)COC[C@H]1COCCO1 34a_100009875890_100011219619 [1,0,0,1,0,0|2,0,0]=4 2706 B13R1.718 OCC(O)CSCC1CCCCC1 62a_100000211423_100011219619 [1,0,0,1,0,0|0,1,0]=3 2707 B13R1.718 OCC(O)CSCC1CCCCC1 62a_100011219619_100000211423 [1,0,0,1,0,0|0,1,0]=3 2708 B13R1.718 OCC(O)CSCC1CCCCO1 62a_100000211543_100011219619 [1,0,0,1,0,0|1,1,0]=4 2709 B13R1.718 OCC(O)CSCC1CCCCO1 62a_100011219619_100000211543 [1,0,0,1,0,0|1,1,0]=4 2710 B13R1.718 OCC(O)CSCC1CCCOC1 62a_100000741521_100011219619 [1,0,0,1,0,0|1,1,0]=4 2711 B13R1.718 OCC(O)CSCC1CCCOC1 62a_100011219619_100000741521 [1,0,0,1,0,0|1,1,0]=4 2712 B13R1.718 OCC(O)CSCC1CCOCC1 62a_100000754603_100011219619 [1,0,0,1,0,0|1,1,0]=4 2713 B13R1.718 OCC(O)CSCC1CCOCC1 62a_100011219619_100000749018 [1,0,0,1,0,0|1,1,0]=4 2714 B13R1.718 OC[C@@H](O)CNCC1CCCCC1 2230a_100020644852_100000211423 [1,0,0,1,0,0|1,0,0]=3 2715 B13R1.718 OC[C@@H](O)CNCC1CCCCC1 269862a_100020644852_100000211278 [1,0,0,1,0,0|1,0,0]=3 2716 B13R1.718 OC[C@@H](O)CNCC1CCCCO1 2230a_100020644852_100000211543 [1,0,0,1,0,0|2,0,0]=4 2717 B13R1.718 OC[C@@H](O)CNCC1CCCOC1 2230a_100020644852_100000741521 [1,0,0,1,0,0|2,0,0]=4 2718 B13R1.718 OC[C@@H](O)CNCC1CCOCC1 2230a_100020644852_100000754603 [1,0,0,1,0,0|2,0,0]=4 2719 B13R1.718 OC[C@@H](O)CNCC1CCOCC1 269862a_100020644852_100000749017 [1,0,0,1,0,0|2,0,0]=4 2720 B13R1.718 OC[C@@H](O)CNCC1CCSCC1 269862a_100020644852_100000067145 [1,0,0,1,0,0|2,0,0]=4 2721 B13R1.718 OC[C@H](F)CNCC1CCCCC1 269862a_100015665980_100000211278 [1,0,0,1,0,0|2,0,0]=4 2722 B13R1.718 OC[C@H](F)CNCC1CCCCC1 34a_100015665980_100000211423 [1,0,0,1,0,0|2,0,0]=4 2723 B13R1.718 OC[C@H](O)CNCC1CCCCC1 2230a_100000210473_100009815848 [1,0,0,1,0,0|1,0,0]=3 2724 B13R1.718 OC[C@H](O)CNCC1CCCCC1 34a_100000210473_100009815848 [1,0,0,1,0,0|1,0,0]=3 2725 B13R1.718 OC[C@H](O)CNCC1CCCCO1 2230a_100000174945_100009815848 [1,0,0,1,0,0|2,0,0]=4 2726 B13R1.718 OC[C@H](O)CNCC1CCCCO1 34a_100000174945_100009815848 [1,0,0,1,0,0|2,0,0]=4 2727 B13R1.718 OC[C@H](O)CNCC1CCCOC1 2230a_100000720124_100009815848 [1,0,0,1,0,0|2,0,0]=4 2728 B13R1.718 OC[C@H](O)CNCC1CCCOC1 34a_100000720124_100009815848 [1,0,0,1,0,0|2,0,0]=4 2729 B13R1.718 OC[C@H](O)CNCC1CCOCC1 2230a_100000746373_100009815848 [1,0,0,1,0,0|2,0,0]=4 2730 B13R1.718 OC[C@H](O)CNCC1CCOCC1 34a_100000746373_100009815848 [1,0,0,1,0,0|2,0,0]=4 2731 B13R1.718 OC[C@H](O)CNCC1CCSCC1 2230a_100015188806_100009815848 [1,0,0,1,0,0|2,0,0]=4 2732 B13R1.718 OC[C@H](O)CNCC1CCSCC1 34a_100015188806_100009815848 [1,0,0,1,0,0|2,0,0]=4 2733 B13R1.718 OC[C@H](O)COCC1CC=CCC1 34a_100000210713_100009815848 [1,0,0,1,0,0|0,0,2]=4 2734 B13R1.718 OC[C@H](O)COCC1CCCCC1 34a_100000212181_100009815848 [1,0,0,1,0,0|0,0,0]=2 2735 B13R1.718 OC[C@H](O)COCC1CCCCC1 7a_100000212181_100009815848 [1,0,0,1,0,0|0,0,0]=2 2736 B13R1.718 OC[C@H](O)COCC1CCCCN1 34a_100000210821_100009815848 [1,0,0,1,0,0|1,0,0]=3 2737 B13R1.718 OC[C@H](O)COCC1CCCCO1 34a_100000211370_100009815848 [1,0,0,1,0,0|1,0,0]=3 2738 B13R1.718 OC[C@H](O)COCC1CCCCO1 7a_100000211370_100009815848 [1,0,0,1,0,0|1,0,0]=3 2739 B13R1.718 OC[C@H](O)COCC1CCCNC1 34a_100000211344_100009815848 [1,0,0,1,0,0|1,0,0]=3 2740 B13R1.718 OC[C@H](O)COCC1CCCOC1 34a_100000741520_100009815848 [1,0,0,1,0,0|1,0,0]=3 2741 B13R1.718 OC[C@H](O)COCC1CCNCC1 34a_100000738675_100009815848 [1,0,0,1,0,0|1,0,0]=3 2742 B13R1.718 OC[C@H](O)COCC1CCOCC1 34a_100000749013_100009815848 [1,0,0,1,0,0|1,0,0]=3 2743 B13R1.718 OC[C@H](O)COCC1CCSCC1 34a_100000070558_100009815848 [1,0,0,1,0,0|1,0,0]=3 2744 B13R1.718 OC[C@H](O)COCC1CCSCC1 7a_100000070558_100009815848 [1,0,0,1,0,0|1,0,0]=3 2745 B13R1.718 OC[C@H](O)COC[C@@H]1CNCCO1 34a_100015189573_100009815848 [1,0,0,1,0,0|2,0,0]=4 2746 B13R1.718 OC[C@H](O)COC[C@@H]1COCCN1 34a_100000717676_100009815848 [1,0,0,1,0,0|2,0,0]=4 2747 B13R1.718 OC[C@H](O)COC[C@H]1COCCO1 34a_100009875890_100009815848 [1,0,0,1,0,0|2,0,0]=4 2748 B13R1.718 OC[C@H](O)CSCC1CCCCC1 62a_100000211423_100009815848 [1,0,0,1,0,0|0,1,0]=3 2749 B13R1.718 OC[C@H](O)CSCC1CCCCC1 62a_100009815848_100000211423 [1,0,0,1,0,0|0,1,0]=3 2750 B13R1.718 OC[C@H](O)CSCC1CCCCO1 62a_100000211543_100009815848 [1,0,0,1,0,0|1,1,0]=4 2751 B13R1.718 OC[C@H](O)CSCC1CCCCO1 62a_100009815848_100000211543 [1,0,0,1,0,0|1,1,0]=4 2752 B13R1.718 OC[C@H](O)CSCC1CCCOC1 62a_100000741521_100009815848 [1,0,0,1,0,0|1,1,0]=4 2753 B13R1.718 OC[C@H](O)CSCC1CCCOC1 62a_100009815848_100000741521 [1,0,0,1,0,0|1,1,0]=4 2754 B13R1.718 OC[C@H](O)CSCC1CCOCC1 62a_100000754603_100009815848 [1,0,0,1,0,0|1,1,0]=4 2755 B13R1.718 OC[C@H](O)CSCC1CCOCC1 62a_100009815848_100000749018 [1,0,0,1,0,0|1,1,0]=4 2756 B13R1.718 O[C@@H](CF)CNCC1CCCCC1 2230a_100000210473_100015614560 [1,0,0,1,0,0|2,0,0]=4 2757 B13R1.718 O[C@@H](CF)CNCC1CCCCC1 34a_100000210473_100015614560 [1,0,0,1,0,0|2,0,0]=4 2758 B13R1.718 O[C@@H](CF)COCC1CCCCC1 34a_100000212181_100015614560 [1,0,0,1,0,0|1,0,0]=3 2759 B13R1.718 O[C@@H](CF)COCC1CCCCC1 7a_100000212181_100015614560 [1,0,0,1,0,0|1,0,0]=3 2760 B13R1.718 O[C@@H](CF)COCC1CCCCN1 34a_100000210821_100015614560 [1,0,0,1,0,0|2,0,0]=4 2761 B13R1.718 O[C@@H](CF)COCC1CCCCO1 34a_100000211370_100015614560 [1,0,0,1,0,0|2,0,0]=4 2762 B13R1.718 O[C@@H](CF)COCC1CCCCO1 7a_100000211370_100015614560 [1,0,0,1,0,0|2,0,0]=4 2763 B13R1.718 O[C@@H](CF)COCC1CCCNC1 34a_100000211344_100015614560 [1,0,0,1,0,0|2,0,0]=4 2764 B13R1.718 O[C@@H](CF)COCC1CCCOC1 34a_100000741520_100015614560 [1,0,0,1,0,0|2,0,0]=4 2765 B13R1.718 O[C@@H](CF)COCC1CCNCC1 34a_100000738675_100015614560 [1,0,0,1,0,0|2,0,0]=4 2766 B13R1.718 O[C@@H](CF)COCC1CCOCC1 34a_100000749013_100015614560 [1,0,0,1,0,0|2,0,0]=4 2767 B13R1.718 O[C@@H](CF)COCC1CCSCC1 34a_100000070558_100015614560 [1,0,0,1,0,0|2,0,0]=4 2768 B13R1.718 O[C@@H](CF)COCC1CCSCC1 7a_100000070558_100015614560 [1,0,0,1,0,0|2,0,0]=4 2769 B13R1.718 O[C@@H](CF)CSCC1CCCCC1 62a_100000211423_100015614560 [1,0,0,1,0,0|1,1,0]=4 2770 B13R1.718 O[C@@H](CF)CSCC1CCCCC1 62a_100015614560_100000211423 [1,0,0,1,0,0|1,1,0]=4 2771 B13R1.1737 N[C@H](COCC(O)CO)C1COC1 34a_217856628679_100011219619 [1,0,0,1,0,0|2,0,0]=4 2772 B13R1.1737 N[C@H](COC[C@@H](O)CO)C1COC1 34a_217856628679_100009815848 [1,0,0,1,0,0|2,0,0]=4 2773 B13R1.1868 OCC(O)CN1CCCCC(C1)O 2230a_100025706797_100011219619 [1,0,0,1,0,0|2,0,0]=4 2774 B13R1.1868 OC[C@H](O)CN1CCCCC(C1)O 2230a_100025706797_100009815848 [1,0,0,1,0,0|2,0,0]=4 2775 B13R1.2062 CCC(O)COCC1(CCCC1)N 34a_100000749328_100011218378 [1,0,0,1,0,0|2,0,0]=4 2776 B13R1.2062 CCC(O)COC[C@@]1(CCCN1)C 34a_100016195882_100011218378 [1,0,0,1,0,0|2,0,0]=4 2777 B13R1.2062 C[C@@H](CO)COCC1(CCCC1)N 34a_100000749328_100000059175 [1,0,0,1,0,0|2,0,0]=4 2778 B13R1.2062 C[C@@H](CO)COC[C@@]1(CCCN1)C 34a_100016195882_100000059175 [1,0,0,1,0,0|2,0,0]=4 2779 B13R1.2062 C[C@]1(CCCN1)COCC(O)CO 34a_100016195882_100011219619 [1,0,0,1,0,0|1,0,0]=3 2780 B13R1.2062 C[C@]1(CCCN1)COC[C@@H](O)CF 34a_100016195882_100015614560 [1,0,0,1,0,0|2,0,0]=4 2781 B13R1.2062 C[C@]1(CCCN1)COC[C@@H](O)CO 34a_100016195882_100009815848 [1,0,0,1,0,0|1,0,0]=3 2782 B13R1.2062 NC1(CCCC1)COCC(O)CO 34a_100000749328_100011219619 [1,0,0,1,0,0|1,0,0]=3 2783 B13R1.2062 NC1(CCCC1)COC[C@@H](O)CF 34a_100000749328_100015614560 [1,0,0,1,0,0|2,0,0]=4 2784 B13R1.2062 NC1(CCCC1)COC[C@@H](O)CO 34a_100000749328_100009815848 [1,0,0,1,0,0|1,0,0]=3 2785 B13R1.2062 OCC(O)CNCC1(CCCC1)O 2230a_100000737848_100011219619 [1,0,0,1,0,0|2,0,0]=4 2786 B13R1.2062 OC[C@H](O)CNCC1(CCCC1)O 2230a_100000737848_100009815848 [1,0,0,1,0,0|2,0,0]=4 2787 B13R1.2872 C[C@@H]1CN([C@@H](CO1)C)CC(O)CO 2230a_100016991869_100011219619 [1,0,0,1,0,0|2,0,0]=4 2788 B13R1.2872 C[C@@H]1CN([C@@H](CO1)C)CC(O)CO 34a_100016991869_100011219619 [1,0,0,1,0,0|2,0,0]=4 2789 B13R1.2872 C[C@@H]1CN([C@@H](CO1)C)C[C@@H](O)CO 2230a_100016991869_100009815848 [1,0,0,1,0,0|2,0,0]=4 2790 B13R1.2872 C[C@@H]1CN([C@@H](CO1)C)C[C@@H](O)CO 34a_100016991869_100009815848 [1,0,0,1,0,0|2,0,0]=4 2791 B13R1.3603 CCCCC(C)COCC1(CO1)C 34a_100011995851_100000760498 [1,0,0,1,0,0|1,0,0]=3 2792 B13R1.3603 CCCC[C@H](N)COCC1(CO1)C 34a_100011934283_100000760498 [1,0,0,1,0,0|2,0,0]=4 2793 B13R1.9 C#CCCOCC1CCC(CC1)C 34a_100000701341_100000688953 [1,0,0,1,0,0|1,0,1]=4 2794 B13R1.9 C=C1CCC(CC1)COCCCO 34a_100000074039_100000230001 [1,0,0,1,0,0|0,0,2]=4 2795 B13R1.9 C=CCCOCC1CCC(CC1)C 34a_100000701341_100000754431 [1,0,0,1,0,0|1,0,1]=4 2796 B13R1.9 CC1CCC(CC1)CNCCCF 2230a_103436935547_100011934791 [1,0,0,1,0,0|2,0,0]=4 2797 B13R1.9 CC1CCC(CC1)CNCCCF 34a_103436935547_100011934791 [1,0,0,1,0,0|2,0,0]=4 2798 B13R1.9 CC1CCC(CC1)CNCCCO 2230a_103436935547_100000230001 [1,0,0,1,0,0|1,0,0]=3 2799 B13R1.9 CC1CCC(CC1)CNCCCO 34a_103436935547_100000230001 [1,0,0,1,0,0|1,0,0]=3 2800 B13R1.9 CC1CCC(CC1)COCCCF 34a_100000701341_100011934791 [1,0,0,1,0,0|1,0,0]=3 2801 B13R1.9 CC1CCC(CC1)COCCCO 34a_100000701341_100000230001 [1,0,0,1,0,0|0,0,0]=2 2802 B13R1.9 CC1CCC(CC1)NCCCCO 270004a_100000750430_100000185489 [1,0,0,1,0,0|2,0,0]=4 2803 B13R1.9 CC1CCC(CC1)NCCCCO 34a_100000750430_200011216234 [1,0,0,1,0,0|2,0,0]=4 2804 B13R1.9 CC1CCC(CC1)OCCCCO 34a_100000210714_100011216708 [1,0,0,1,0,0|2,0,0]=4 2805 B13R1.9 CC1CCC(CC1)OCCCCO 7a_100000210714_100000210776 [1,0,0,1,0,0|2,0,0]=4 2806 B13R1.9 CC1CCC(CC1)SCCCCO 62a_100000210776_200011216234 [1,0,0,1,0,0|2,0,0]=4 2807 B13R1.9 CC1CCN(CC1)CCCCCO 2230a_100000188429_100000746330 [1,0,0,1,0,0|2,0,0]=4 2808 B13R1.9 CC1CCN(CC1)CCCCCO 269982a_100000188429_100000746330 [1,0,0,1,0,0|2,0,0]=4 2809 B13R1.9 CC1CCN(CC1)CCCCCO 34a_100000188429_100000746330 [1,0,0,1,0,0|2,0,0]=4 2810 B13R1.9 CCCCNCC1CCC(CC1)C 2230a_103436935547_100000210211 [1,0,0,1,0,0|2,0,0]=4 2811 B13R1.9 CCCCNCC1CCC(CC1)C 34a_103436935547_100000210210 [1,0,0,1,0,0|2,0,0]=4 2812 B13R1.9 CCCCOCC1CCC(CC1)C 34a_100000701341_100000210210 [1,0,0,1,0,0|1,0,0]=3 2813 B13R1.9 CCCCOCN1CCC(CC1)C 2230a_100000188429_100011995733 [1,0,0,1,0,0|2,0,0]=4 2814 B13R1.9 CCCCOCN1CCC(CC1)C 269982a_100000188429_100011995733 [1,0,0,1,0,0|2,0,0]=4 2815 B13R1.9 CCCCOCN1CCC(CC1)C 34a_100000188429_100011995733 [1,0,0,1,0,0|2,0,0]=4 2816 B13R1.9 CCCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000210210 [1,0,0,1,0,0|2,0,0]=4 2817 B13R1.9 CN1CCC(CC1)CSCCCO 62a_100011215043_100015183002 [1,0,0,1,0,0|1,1,0]=4 2818 B13R1.9 CN1CCC(CC1)CSCCCO 62a_100015183002_100011215043 [1,0,0,1,0,0|1,1,0]=4 2819 B13R1.9 COCCOCC1CCC(CC1)C 34a_100000701341_100011201679 [1,0,0,1,0,0|2,0,0]=4 2820 B13R1.9 CSCCOCC1CCC(CC1)C 34a_100000701341_100000212216 [1,0,0,1,0,0|2,0,0]=4 2821 B13R1.9 C[C@H]1CC[C@@H](CC1)NCCCCO 2230a_100020625639_100000210776 [1,0,0,1,0,0|2,0,0]=4 2822 B13R1.9 C[C@H]1CC[C@@H](CC1)NCCCCO 34a_100020625639_100011216708 [1,0,0,1,0,0|2,0,0]=4 2823 B13R1.9 C[C@H]1CN[C@@H](CN1)COCCCO 34a_100160570299_100000230001 [1,0,0,1,0,0|2,0,0]=4 2824 B13R1.9 N[C@H]1CC[C@@H](CC1)COCCCF 34a_100009821084_100011934791 [1,0,0,1,0,0|2,0,0]=4 2825 B13R1.9 N[C@H]1CC[C@@H](CC1)COCCCO 34a_100009821084_100000230001 [1,0,0,1,0,0|1,0,0]=3 2826 B13R1.9 O=C1CCC(CC1)COCCCO 34a_100000062911_100000230001 [1,0,0,1,0,0|1,0,1]=4 2827 B13R1.77 CCCCC1CCN(CC1)CCO 2230a_200016987432_100000211926 [1,0,0,1,0,0|2,0,0]=4 2828 B13R1.77 CCCCC1CCN(CC1)CCO 269982a_200016987432_100000211926 [1,0,0,1,0,0|2,0,0]=4 2829 B13R1.77 CCCCC1CCN(CC1)CCO 34a_200016987432_100000211926 [1,0,0,1,0,0|2,0,0]=4 2830 B13R1.77 CCCCN1CCC(CC1)CCO 2230a_100015190746_100000210211 [1,0,0,1,0,0|2,0,0]=4 2831 B13R1.77 CCCCN1CCC(CC1)CCO 269982a_100015190746_100000210211 [1,0,0,1,0,0|2,0,0]=4 2832 B13R1.77 CCCCN1CCC(CC1)CCO 34a_100015190746_100000210210 [1,0,0,1,0,0|2,0,0]=4 2833 B13R1.77 CCCNC1CCC(CC1)CCO 2230a_100000070672_100000210303 [1,0,0,1,0,0|2,0,0]=4 2834 B13R1.77 CCCNC1CCC(CC1)CCO 34a_100000070672_100000210303 [1,0,0,1,0,0|2,0,0]=4 2835 B13R1.84 C#CCCOC1CCCCC1CC 34a_100000210738_100000688953 [1,0,0,1,0,0|1,0,1]=4 2836 B13R1.84 C#CCCOC1CCCCC1CC 7a_100000210738_100000688953 [1,0,0,1,0,0|1,0,1]=4 2837 B13R1.84 C=CCCOC1CCCCC1CC 34a_100000210738_100000754431 [1,0,0,1,0,0|1,0,1]=4 2838 B13R1.84 C=CCCOC1CCCCC1CC 7a_100000210738_100000754431 [1,0,0,1,0,0|1,0,1]=4 2839 B13R1.84 CCC1CCCCC1NCCCF 269862a_100015189416_100000757040 [1,0,0,1,0,0|2,0,0]=4 2840 B13R1.84 CCC1CCCCC1NCCCF 270004a_100015189416_100000757040 [1,0,0,1,0,0|2,0,0]=4 2841 B13R1.84 CCC1CCCCC1NCCCO 269862a_100000182051_100000757040 [1,0,0,1,0,0|1,0,0]=3 2842 B13R1.84 CCC1CCCCC1NCCCO 270004a_100000182051_100000757040 [1,0,0,1,0,0|1,0,0]=3 2843 B13R1.84 CCC1CCCCC1OCCC#N 7a_100000210738_100000184422 [1,0,0,1,0,0|1,0,1]=4 2844 B13R1.84 CCC1CCCCC1OCCCF 34a_100000210738_100011934791 [1,0,0,1,0,0|1,0,0]=3 2845 B13R1.84 CCC1CCCCC1OCCCF 7a_100000210738_100011934791 [1,0,0,1,0,0|1,0,0]=3 2846 B13R1.84 CCC1CCCCC1OCCCO 34a_100000210738_100000230001 [1,0,0,1,0,0|0,0,0]=2 2847 B13R1.84 CCC1CCCCC1OCCCO 7a_100000210738_100011215043 [1,0,0,1,0,0|0,0,0]=2 2848 B13R1.84 CCC1CCCCC1OCCOC 34a_100000210738_100011201679 [1,0,0,1,0,0|2,0,0]=4 2849 B13R1.84 CCC1CCCCC1OCCOC 7a_100000210738_100000233755 [1,0,0,1,0,0|2,0,0]=4 2850 B13R1.84 CCC1CCCCC1OCCSC 34a_100000210738_100000212216 [1,0,0,1,0,0|2,0,0]=4 2851 B13R1.84 CCC1CCCCC1OCCSC 7a_100000210738_100000212216 [1,0,0,1,0,0|2,0,0]=4 2852 B13R1.84 CCC1CCCCN1CCCCO 2230a_100000210034_100000210776 [1,0,0,1,0,0|2,0,0]=4 2853 B13R1.84 CCC1CCCCN1CCCCO 269982a_100000210034_100000210776 [1,0,0,1,0,0|2,0,0]=4 2854 B13R1.84 CCC1CCCCN1CCCCO 34a_100000210034_100011216708 [1,0,0,1,0,0|2,0,0]=4 2855 B13R1.84 CCCCNC1CCCCC1CC 269862a_100000102301_100000757040 [1,0,0,1,0,0|2,0,0]=4 2856 B13R1.84 CCCCNC1CCCCC1CC 270004a_100000102301_100000757040 [1,0,0,1,0,0|2,0,0]=4 2857 B13R1.84 CCCCOC1CCCCC1CC 34a_100000210738_100000210210 [1,0,0,1,0,0|1,0,0]=3 2858 B13R1.84 CCCCOC1CCCCC1CC 7a_100000210738_100000210211 [1,0,0,1,0,0|1,0,0]=3 2859 B13R1.84 CCCCOC1CCCCC1CN 34a_100011216029_100000210210 [1,0,0,1,0,0|2,0,0]=4 2860 B13R1.84 CCCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210210 [1,0,0,1,0,0|2,0,0]=4 2861 B13R1.84 CCCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210210 [1,0,0,1,0,0|2,0,0]=4 2862 B13R1.84 CCCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210211 [1,0,0,1,0,0|2,0,0]=4 2863 B13R1.84 CN[C@@H]1CCCC[C@H]1OCCCF 34a_100000708425_100011934791 [1,0,0,1,0,0|2,0,0]=4 2864 B13R1.84 CN[C@@H]1CCCC[C@H]1OCCCO 34a_100000708425_100000230001 [1,0,0,1,0,0|1,0,0]=3 2865 B13R1.84 COC1CCCCC1NCCCO 270004a_100000182051_100000740605 [1,0,0,1,0,0|2,0,0]=4 2866 B13R1.84 COC1CCCCC1NCCCO 34a_100011208099_100000230001 [1,0,0,1,0,0|2,0,0]=4 2867 B13R1.84 CO[C@H]1CCCC[C@@H]1OCCCF 34a_200009815850_100011934791 [1,0,0,1,0,0|2,0,0]=4 2868 B13R1.84 CO[C@H]1CCCC[C@@H]1OCCCF 7a_200009815850_100011934791 [1,0,0,1,0,0|2,0,0]=4 2869 B13R1.84 CO[C@H]1CCCC[C@@H]1OCCCO 34a_200009815850_100000230001 [1,0,0,1,0,0|1,0,0]=3 2870 B13R1.84 CO[C@H]1CCCC[C@@H]1OCCCO 7a_200009815850_100011215043 [1,0,0,1,0,0|1,0,0]=3 2871 B13R1.84 NCC1CCCCC1OCCCF 34a_100011216029_100011934791 [1,0,0,1,0,0|2,0,0]=4 2872 B13R1.84 NCC1CCCCC1OCCCO 34a_100011216029_100000230001 [1,0,0,1,0,0|1,0,0]=3 2873 B13R1.84 OCCCNC1CCCCC1CO 270004a_100000182051_100009861125 [1,0,0,1,0,0|2,0,0]=4 2874 B13R1.189 CCC1CCC(C1)NCCCCO 270004a_100000750430_100011218773 [1,0,0,1,0,0|2,0,0]=4 2875 B13R1.189 CCCCOCC1CCN(C1)CC 7a_100000210227_100015184589 [1,0,0,1,0,0|2,0,0]=4 2876 B13R1.189 CCCCOC[C@H]1CC[C@H](C1)CN 34a_206354213956_100000210210 [1,0,0,1,0,0|2,0,0]=4 2877 B13R1.189 CCN1CCC(C1)CNCCCO 2230a_100011224064_100000230001 [1,0,0,1,0,0|2,0,0]=4 2878 B13R1.189 CCN1CCC(C1)CSCCCO 62a_100011215043_100015184589 [1,0,0,1,0,0|1,1,0]=4 2879 B13R1.189 CCN1CCC(C1)CSCCCO 62a_100015184589_100011215043 [1,0,0,1,0,0|1,1,0]=4 2880 B13R1.189 NC[C@@H]1CC[C@@H](C1)COCCCF 34a_206354213956_100011934791 [1,0,0,1,0,0|2,0,0]=4 2881 B13R1.189 NC[C@@H]1CC[C@@H](C1)COCCCO 34a_206354213956_100000230001 [1,0,0,1,0,0|1,0,0]=3 2882 B13R1.189 OCCCNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100000230001 [1,0,0,1,0,0|2,0,0]=4 2883 B13R1.372 CCCCC(CC)CN1CCCC1 2230a_100000188435_100000211942 [1,0,0,1,0,0|2,0,0]=4 2884 B13R1.372 CCCCC(CC)CN1CCCC1 269982a_100000188435_100000211942 [1,0,0,1,0,0|2,0,0]=4 2885 B13R1.372 CCCCC(CC)CN1CCCC1 270004a_100000188435_100011219736 [1,0,0,1,0,0|2,0,0]=4 2886 B13R1.372 CCCCC(CC)OC1CCCO1 34a_100000085407_200011216223 [1,0,0,1,0,0|2,0,0]=4 2887 B13R1.372 CCCCN(CC)CC1CCCO1 2230a_100000186375_100000210211 [1,0,0,1,0,0|2,0,0]=4 2888 B13R1.372 CCCCN(CC)CC1CCCO1 2230a_100000207695_100000203698 [1,0,0,1,0,0|2,0,0]=4 2889 B13R1.372 CCCCN(CC)CC1CCCO1 269982a_100000186375_100000210211 [1,0,0,1,0,0|2,0,0]=4 2890 B13R1.372 CCCCN(CC)CC1CCCO1 269982a_100000207695_100000183445 [1,0,0,1,0,0|2,0,0]=4 2891 B13R1.372 CCCCN(CC)CC1CCCO1 34a_100000186375_100000210210 [1,0,0,1,0,0|2,0,0]=4 2892 B13R1.555 CC1CC=CCC1COCCCO 34a_100000211322_100000230001 [1,0,0,1,0,0|0,0,2]=4 2893 B13R1.555 CC1CCCCC1NCCCCO 2230a_100000211402_100000210776 [1,0,0,1,0,0|2,0,0]=4 2894 B13R1.555 CC1CCCCC1NCCCCO 269862a_100000750430_100000210921 [1,0,0,1,0,0|2,0,0]=4 2895 B13R1.555 CC1CCCCC1NCCCCO 270004a_100000750430_100000210921 [1,0,0,1,0,0|2,0,0]=4 2896 B13R1.555 CC1CCCCC1NCCCCO 34a_100000211402_100011216708 [1,0,0,1,0,0|2,0,0]=4 2897 B13R1.555 CC1CCCCC1OCCCCO 34a_100000211207_100011216708 [1,0,0,1,0,0|2,0,0]=4 2898 B13R1.555 CC1CCCCC1OCCCCO 7a_100000211207_100000210776 [1,0,0,1,0,0|2,0,0]=4 2899 B13R1.555 CC1CCCCN1CCCCCO 2230a_100000211376_100000746330 [1,0,0,1,0,0|2,0,0]=4 2900 B13R1.555 CC1CCCCN1CCCCCO 269982a_100000211376_100000746330 [1,0,0,1,0,0|2,0,0]=4 2901 B13R1.555 CC1CCCCN1CCCCCO 34a_100000211376_100000746330 [1,0,0,1,0,0|2,0,0]=4 2902 B13R1.555 CCCCOCC1CCCCN1C 34a_100000210227_100015186950 [1,0,0,1,0,0|2,0,0]=4 2903 B13R1.555 CCCCOCC1CCCCN1C 34a_100000225079_100000210210 [1,0,0,1,0,0|2,0,0]=4 2904 B13R1.555 CCCCOCC1CCCCN1C 7a_100000210227_100015185383 [1,0,0,1,0,0|2,0,0]=4 2905 B13R1.555 CCCCOCN1CCCCC1C 2230a_100000211376_100011995733 [1,0,0,1,0,0|2,0,0]=4 2906 B13R1.555 CCCCOCN1CCCCC1C 269982a_100000211376_100011995733 [1,0,0,1,0,0|2,0,0]=4 2907 B13R1.555 CCCCOCN1CCCCC1C 34a_100000211376_100011995733 [1,0,0,1,0,0|2,0,0]=4 2908 B13R1.555 CN1CCCCC1CNCCCO 34a_100011228421_100000230001 [1,0,0,1,0,0|2,0,0]=4 2909 B13R1.555 CN1CCCCC1COCCCBr 34a_100011217188_100015186950 [1,0,0,1,0,0|2,0,0]=4 2910 B13R1.555 CN1CCCCC1COCCCCl 34a_100000230001_100015186950 [1,0,0,1,0,0|2,0,0]=4 2911 B13R1.555 CN1CCCCC1COCCCF 34a_100000225079_100011934791 [1,0,0,1,0,0|2,0,0]=4 2912 B13R1.555 CN1CCCCC1COCCCF 34a_100000759539_100015186950 [1,0,0,1,0,0|2,0,0]=4 2913 B13R1.555 CN1CCCCC1COCCCN 34a_100000182051_100015186950 [1,0,0,1,0,0|2,0,0]=4 2914 B13R1.555 CN1CCCCC1COCCCO 34a_100000225079_100000230001 [1,0,0,1,0,0|1,0,0]=3 2915 B13R1.555 CN1CCCCC1CSCCCO 62a_100011215043_100015185383 [1,0,0,1,0,0|1,1,0]=4 2916 B13R1.555 CN1CCCCC1CSCCCO 62a_100015185383_100011215043 [1,0,0,1,0,0|1,1,0]=4 2917 B13R1.555 CN1CCOCC1COCCCO 34a_100013547906_100000230001 [1,0,0,1,0,0|2,0,0]=4 2918 B13R1.555 NC1CCOCC1COCCCO 34a_214813039666_100000230001 [1,0,0,1,0,0|2,0,0]=4 2919 B13R1.555 O=C1CCCCC1COCCCO 34a_100009861125_100000230001 [1,0,0,1,0,0|1,0,1]=4 2920 B13R1.555 O=C1CCCCC1COCCCO 7a_100009861125_100011215043 [1,0,0,1,0,0|1,0,1]=4 2921 B13R1.555 OCCCNCC1CCCCC1O 34a_100011216029_100000230001 [1,0,0,1,0,0|2,0,0]=4 2922 B13R1.558 CCC1CCC(N(C1)CCCF)C 2230a_100011219223_100011934791 [1,0,0,1,0,0|2,0,0]=4 2923 B13R1.558 CCC1CCC(N(C1)CCCF)C 269982a_100011219223_100011934791 [1,0,0,1,0,0|2,0,0]=4 2924 B13R1.558 CCC1CCC(N(C1)CCCF)C 34a_100011219223_100011934791 [1,0,0,1,0,0|2,0,0]=4 2925 B13R1.558 CCC1CCC(N(C1)CCCO)C 2230a_100011219223_100000230001 [1,0,0,1,0,0|1,0,0]=3 2926 B13R1.558 CCC1CCC(N(C1)CCCO)C 269982a_100011219223_100011215043 [1,0,0,1,0,0|1,0,0]=3 2927 B13R1.558 CCC1CCC(N(C1)CCCO)C 34a_100011219223_100000230001 [1,0,0,1,0,0|1,0,0]=3 2928 B13R1.558 CCCCN1CC(CCC1C)CC 2230a_100011219223_100000210211 [1,0,0,1,0,0|2,0,0]=4 2929 B13R1.558 CCCCN1CC(CCC1C)CC 269982a_100011219223_100000210211 [1,0,0,1,0,0|2,0,0]=4 2930 B13R1.558 CCCCN1CC(CCC1C)CC 34a_100011219223_100000210210 [1,0,0,1,0,0|2,0,0]=4 2931 B13R1.1195 CCCCC(CC)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000211942 [1,0,0,1,0,0|2,0,0]=4 2932 B13R1.1195 CCCCC(CC)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000211942 [1,0,0,1,0,0|2,0,0]=4 2933 B13R1.1195 CCCCC(CC)CN[C@@H]1C[C@H]1F 34a_100025746932_100000211942 [1,0,0,1,0,0|2,0,0]=4 2934 B13R1.1196 CCCCC(CC)CNC1CCC1 2230a_100000749019_100000211942 [1,0,0,1,0,0|2,0,0]=4 2935 B13R1.1196 CCCCC(CC)CNC1CCC1 269862a_100000749019_100011219736 [1,0,0,1,0,0|2,0,0]=4 2936 B13R1.1196 CCCCC(CC)CNC1CCC1 270004a_100000209976_100000241760 [1,0,0,1,0,0|2,0,0]=4 2937 B13R1.1196 CCCCC(CC)CNC1CCC1 34a_100000749019_100000211942 [1,0,0,1,0,0|2,0,0]=4 2938 B13R1.1196 CCCCC(CC)COC1CCC1 34a_100000210273_100000749161 [1,0,0,1,0,0|1,0,0]=3 2939 B13R1.1196 CCCCC(CC)COC1CCC1 34a_100000748187_100000211942 [1,0,0,1,0,0|1,0,0]=3 2940 B13R1.1196 CCCCC(CC)COC1COC1 34a_100000210273_100009818527 [1,0,0,1,0,0|2,0,0]=4 2941 B13R1.1196 CCCCC(CC)COC1COC1 7a_100000210273_100009818527 [1,0,0,1,0,0|2,0,0]=4 2942 B13R1.1196 CCCCC(CC)COC1CSC1 7a_100000072292_100000211942 [1,0,0,1,0,0|2,0,0]=4 2943 B13R1.1196 CCCCC(CC)CSC1CCC1 62a_100000211942_100000749161 [1,0,0,1,0,0|1,1,0]=4 2944 B13R1.1196 CCCCC(CC)NC[C@@H]1CCO1 270004a_100020831831_100000753412 [1,0,0,1,0,0|2,0,0]=4 2945 B13R1.1196 CCCCC(CC)NC[C@@H]1CCO1 34a_100020831831_200011216223 [1,0,0,1,0,0|2,0,0]=4 2946 B13R1.1196 CCCCC(CC)OCC1CCO1 34a_100000039022_200011216223 [1,0,0,1,0,0|2,0,0]=4 2947 B13R1.1196 CCCCC(CC)OCC1CCO1 34a_100011215227_100000103362 [1,0,0,1,0,0|2,0,0]=4 2948 B13R1.1196 CCCCC(CC)OCC1CCO1 7a_100011215227_100000103362 [1,0,0,1,0,0|2,0,0]=4 2949 B13R1.1196 CCCCC(CC)SCC1CCO1 62a_100000103362_200011216223 [1,0,0,1,0,0|2,0,0]=4 2950 B13R1.1196 CCCCC(CC)SCC1CCO1 62a_200011216223_100000103362 [1,0,0,1,0,0|2,0,0]=4 2951 B13R1.1197 CCC/C=C(\CC)/COCC1CO1 34a_200015372368_102125554688 [1,0,0,1,0,0|0,0,2]=4 2952 B13R1.1197 CCC/C=C(\CC)/COCC1CO1 7a_200015372368_102125554688 [1,0,0,1,0,0|0,0,2]=4 2953 B13R1.1197 CCC/C=C(\CC)/COC[C@@H]1CO1 7a_200015372368_100000745022 [1,0,0,1,0,0|0,0,2]=4 2954 B13R1.1197 CCCCC(CC)CNCC1CC1 2230a_100000209976_100000742324 [1,0,0,1,0,0|2,0,0]=4 2955 B13R1.1197 CCCCC(CC)CNCC1CC1 2230a_100000735609_100000211942 [1,0,0,1,0,0|2,0,0]=4 2956 B13R1.1197 CCCCC(CC)CNCC1CC1 269862a_100000209976_100000741477 [1,0,0,1,0,0|2,0,0]=4 2957 B13R1.1197 CCCCC(CC)CNCC1CC1 270004a_100000735609_100011219736 [1,0,0,1,0,0|2,0,0]=4 2958 B13R1.1197 CCCCC(CC)CNCC1CC1 34a_100000735609_100000211942 [1,0,0,1,0,0|2,0,0]=4 2959 B13R1.1197 CCCCC(CC)CNCC1CO1 2230a_100000209976_100011216344 [1,0,0,1,0,0|1,0,0]=3 2960 B13R1.1197 CCCCC(CC)COCC1CC1 34a_100000210273_100000742324 [1,0,0,1,0,0|1,0,0]=3 2961 B13R1.1197 CCCCC(CC)COCC1CC1 34a_100000211283_100000211942 [1,0,0,1,0,0|1,0,0]=3 2962 B13R1.1197 CCCCC(CC)COCC1CC1 7a_100000210273_100000742324 [1,0,0,1,0,0|1,0,0]=3 2963 B13R1.1197 CCCCC(CC)COCC1CO1 34a_100000210273_102125554688 [1,0,0,1,0,0|0,0,0]=2 2964 B13R1.1197 CCCCC(CC)COCC1CO1 7a_100000210273_102125554688 [1,0,0,1,0,0|0,0,0]=2 2965 B13R1.1197 CCCCC(CC)COCC1CS1 7a_100000210273_100000031435 [1,0,0,1,0,0|0,1,0]=3 2966 B13R1.1197 CCCCC(CC)COC[C@@H]1CO1 34a_100000757423_100000211942 [1,0,0,1,0,0|0,0,0]=2 2967 B13R1.1197 CCCCC(CC)COC[C@@H]1CO1 7a_100000210273_100000745022 [1,0,0,1,0,0|0,0,0]=2 2968 B13R1.1197 CCCCC(CC)CSCC1CC1 62a_100000211942_100000742324 [1,0,0,1,0,0|1,1,0]=4 2969 B13R1.1197 CCCCC(CC)CSCC1CC1 62a_100000756562_100000211942 [1,0,0,1,0,0|1,1,0]=4 2970 B13R1.1197 CCCCC(CC)CSCC1CO1 62a_100000211942_102125554688 [1,0,0,1,0,0|0,1,0]=3 2971 B13R1.1197 CCCCC(CC)CSCC1CO1 62a_102125554688_100000211942 [1,0,0,1,0,0|0,1,0]=3 2972 B13R1.1197 CCCCC(CC)CSCC1CS1 62a_100000031435_100000211942 [1,0,0,1,0,0|0,2,0]=4 2973 B13R1.1197 CCCCC(CC)CSCC1CS1 62a_100000211942_100000031435 [1,0,0,1,0,0|0,2,0]=4 2974 B13R1.1197 CCCCC(CC)CSC[C@@H]1CO1 62a_100000211942_100000745022 [1,0,0,1,0,0|0,1,0]=3 2975 B13R1.1197 CCCCC(CC)CSC[C@@H]1CO1 62a_100000745022_100000211942 [1,0,0,1,0,0|0,1,0]=3 2976 B13R1.1197 CCCCC(CC)OCCC1CO1 34a_100011215227_100000732470 [1,0,0,1,0,0|2,0,0]=4 2977 B13R1.1197 CCCCC(CC)OCCC1CO1 7a_100011215227_100000732470 [1,0,0,1,0,0|2,0,0]=4 2978 B13R1.1197 CCCCC(CC)OCC[C@@H]1CO1 34a_100009820653_200011216223 [1,0,0,1,0,0|2,0,0]=4 2979 B13R1.1197 CCCCC(CC)SCCC1CO1 62a_100000732470_200011216223 [1,0,0,1,0,0|2,0,0]=4 2980 B13R1.1197 CCCCC(CC)SCCC1CO1 62a_200011216223_100000732470 [1,0,0,1,0,0|2,0,0]=4 2981 B13R1.1197 CCCCN(CC)CCCC1CO1 2230a_100000207695_100000733510 [1,0,0,1,0,0|2,0,0]=4 2982 B13R1.1197 CCCCN(CC)CCCC1CO1 269982a_100000207695_100000733510 [1,0,0,1,0,0|2,0,0]=4 2983 B13R1.1198 CCCCC(CC)CN1CCC1C 269982a_100000755817_100000211942 [1,0,0,1,0,0|2,0,0]=4 2984 B13R1.1198 CCCCC(CC)CN1CCC1C 34a_100000755817_100000211942 [1,0,0,1,0,0|2,0,0]=4 2985 B13R1.1887 BrCCCOCC1CCCCCC1 34a_100011217188_200000696569 [1,0,0,1,0,0|1,0,0]=3 2986 B13R1.1887 C#CCCOCC1CCCCCC1 34a_100000699130_100000688953 [1,0,0,1,0,0|1,0,1]=4 2987 B13R1.1887 C#CCCOCC1CCCCCC1 34a_100011215631_200000696569 [1,0,0,1,0,0|1,0,1]=4 2988 B13R1.1887 C#CCCOCC1CCCCCC1 7a_100000699130_100000688953 [1,0,0,1,0,0|1,0,1]=4 2989 B13R1.1887 C=CCCOCC1CCCCCC1 34a_100000699130_100000754431 [1,0,0,1,0,0|1,0,1]=4 2990 B13R1.1887 C=CCCOCC1CCCCCC1 34a_100011205117_200000696569 [1,0,0,1,0,0|1,0,1]=4 2991 B13R1.1887 C=CCCOCC1CCCCCC1 7a_100000699130_100000754431 [1,0,0,1,0,0|1,0,1]=4 2992 B13R1.1887 CCCCNCC1CCCCCC1 2230a_100000102301_200000696569 [1,0,0,1,0,0|2,0,0]=4 2993 B13R1.1887 CCCCNCC1CCCCCC1 2230a_100015204231_100000210211 [1,0,0,1,0,0|2,0,0]=4 2994 B13R1.1887 CCCCNCC1CCCCCC1 269862a_100000102301_200000763224 [1,0,0,1,0,0|2,0,0]=4 2995 B13R1.1887 CCCCNCC1CCCCCC1 34a_100015204231_100000210210 [1,0,0,1,0,0|2,0,0]=4 2996 B13R1.1887 CCCCNCC1CCCCCC1 7a_106832991798_200000696569 [1,0,0,1,0,0|2,0,0]=4 2997 B13R1.1887 CCCCOCC1CCCCCC1 34a_100000210227_200000696569 [1,0,0,1,0,0|1,0,0]=3 2998 B13R1.1887 CCCCOCC1CCCCCC1 34a_100000699130_100000210210 [1,0,0,1,0,0|1,0,0]=3 2999 B13R1.1887 CCCCOCC1CCCCCC1 7a_100000210227_200000696569 [1,0,0,1,0,0|1,0,0]=3 3000 B13R1.1887 CCCCOCC1CCCCCC1 7a_100000699130_100000210211 [1,0,0,1,0,0|1,0,0]=3 3001 B13R1.1887 CCCCOCN1CCCCCC1 2230a_100000185865_100011995733 [1,0,0,1,0,0|2,0,0]=4 3002 B13R1.1887 CCCCOCN1CCCCCC1 269982a_100000185865_100011995733 [1,0,0,1,0,0|2,0,0]=4 3003 B13R1.1887 CCCCOCN1CCCCCC1 34a_100000185865_100011995733 [1,0,0,1,0,0|2,0,0]=4 3004 B13R1.1887 CCCCSCC1CCCCCC1 62a_100000210211_200000696569 [1,0,0,1,0,0|1,1,0]=4 3005 B13R1.1887 CCCCSCC1CCCCCC1 62a_200000696569_100000210210 [1,0,0,1,0,0|1,1,0]=4 3006 B13R1.1887 COCCOCC1CCCCCC1 34a_100000210237_200000696569 [1,0,0,1,0,0|2,0,0]=4 3007 B13R1.1887 COCCOCC1CCCCCC1 34a_100000699130_100011201679 [1,0,0,1,0,0|2,0,0]=4 3008 B13R1.1887 COCCOCC1CCCCCC1 7a_100000699130_100000233755 [1,0,0,1,0,0|2,0,0]=4 3009 B13R1.1887 CSCCOCC1CCCCCC1 34a_100000230434_200000696569 [1,0,0,1,0,0|2,0,0]=4 3010 B13R1.1887 CSCCOCC1CCCCCC1 34a_100000699130_100000212216 [1,0,0,1,0,0|2,0,0]=4 3011 B13R1.1887 CSCCOCC1CCCCCC1 7a_100000230434_200000696569 [1,0,0,1,0,0|2,0,0]=4 3012 B13R1.1887 CSCCOCC1CCCCCC1 7a_100000699130_100000212216 [1,0,0,1,0,0|2,0,0]=4 3013 B13R1.1887 ClCCCOCC1CCCCCC1 34a_100000230001_200000696569 [1,0,0,1,0,0|1,0,0]=3 3014 B13R1.1887 FCCCNCC1CCCCCC1 2230a_100015189416_200000696569 [1,0,0,1,0,0|2,0,0]=4 3015 B13R1.1887 FCCCNCC1CCCCCC1 2230a_100015204231_100011934791 [1,0,0,1,0,0|2,0,0]=4 3016 B13R1.1887 FCCCNCC1CCCCCC1 269862a_100015189416_200000763224 [1,0,0,1,0,0|2,0,0]=4 3017 B13R1.1887 FCCCNCC1CCCCCC1 34a_100015189416_200000696569 [1,0,0,1,0,0|2,0,0]=4 3018 B13R1.1887 FCCCNCC1CCCCCC1 34a_100015204231_100011934791 [1,0,0,1,0,0|2,0,0]=4 3019 B13R1.1887 FCCCOCC1CCCCCC1 34a_100000699130_100011934791 [1,0,0,1,0,0|1,0,0]=3 3020 B13R1.1887 FCCCOCC1CCCCCC1 34a_100000759539_200000696569 [1,0,0,1,0,0|1,0,0]=3 3021 B13R1.1887 FCCCOCC1CCCCCC1 7a_100000699130_100011934791 [1,0,0,1,0,0|1,0,0]=3 3022 B13R1.1887 FCCCSCC1CCCCCC1 62a_100011934791_200000696569 [1,0,0,1,0,0|1,1,0]=4 3023 B13R1.1887 FCCCSCC1CCCCCC1 62a_200000696569_100011934791 [1,0,0,1,0,0|1,1,0]=4 3024 B13R1.1887 N#CCCOCC1CCCCCC1 7a_100000699130_100000184422 [1,0,0,1,0,0|1,0,1]=4 3025 B13R1.1887 NCCCOCC1CCCCCC1 34a_100000182051_200000696569 [1,0,0,1,0,0|1,0,0]=3 3026 B13R1.1887 NOCCOCC1CCCCCC1 34a_100000700252_200000696569 [1,0,0,1,0,0|2,0,0]=4 3027 B13R1.1887 OCCCCCN1CCCCCC1 2230a_100000185865_100000746330 [1,0,0,1,0,0|2,0,0]=4 3028 B13R1.1887 OCCCCCN1CCCCCC1 269982a_100000185865_100000746330 [1,0,0,1,0,0|2,0,0]=4 3029 B13R1.1887 OCCCCCN1CCCCCC1 34a_100000185865_100000746330 [1,0,0,1,0,0|2,0,0]=4 3030 B13R1.1887 OCCCCNC1CCCCCC1 2230a_100000210984_100000210776 [1,0,0,1,0,0|2,0,0]=4 3031 B13R1.1887 OCCCCNC1CCCCCC1 270004a_100000750430_100000210131 [1,0,0,1,0,0|2,0,0]=4 3032 B13R1.1887 OCCCCNC1CCCCCC1 34a_100000210984_100011216708 [1,0,0,1,0,0|2,0,0]=4 3033 B13R1.1887 OCCCCNC1CCCCCC1 34a_100000750430_100011217769 [1,0,0,1,0,0|2,0,0]=4 3034 B13R1.1887 OCCCCOC1CCCCCC1 34a_100000210887_100011216708 [1,0,0,1,0,0|2,0,0]=4 3035 B13R1.1887 OCCCCOC1CCCCCC1 7a_100000210887_100000210776 [1,0,0,1,0,0|2,0,0]=4 3036 B13R1.1887 OCCCCSC1CCCCCC1 62a_100000210776_100011217769 [1,0,0,1,0,0|2,0,0]=4 3037 B13R1.1887 OCCCCSC1CCCCCC1 62a_100011217769_100000210776 [1,0,0,1,0,0|2,0,0]=4 3038 B13R1.1887 OCCCNCC1CCCCCC1 2230a_100015204231_100000230001 [1,0,0,1,0,0|1,0,0]=3 3039 B13R1.1887 OCCCNCC1CCCCCC1 269862a_100000182051_200000763224 [1,0,0,1,0,0|1,0,0]=3 3040 B13R1.1887 OCCCNCC1CCCCCC1 34a_100015204231_100000230001 [1,0,0,1,0,0|1,0,0]=3 3041 B13R1.1887 OCCCOCC1CCCCCC1 34a_100000699130_100000230001 [1,0,0,1,0,0|0,0,0]=2 3042 B13R1.1887 OCCCOCC1CCCCCC1 7a_100000699130_100011215043 [1,0,0,1,0,0|0,0,0]=2 3043 B13R1.1887 OCCCOCC1CNCCOC1 34a_100103147999_100000230001 [1,0,0,1,0,0|2,0,0]=4 3044 B13R1.1887 OCCCSCC1CCCCCC1 62a_100011215043_200000696569 [1,0,0,1,0,0|0,1,0]=3 3045 B13R1.1887 OCCCSCC1CCCCCC1 62a_200000696569_100011215043 [1,0,0,1,0,0|0,1,0]=3 3046 B13R1.1887 OCCNCCC1CCCCCC1 2230a_100011532351_100000211926 [1,0,0,1,0,0|2,0,0]=4 3047 B13R1.1887 OCCNCCC1CCCCCC1 34a_100011532351_100000211926 [1,0,0,1,0,0|2,0,0]=4 3048 B13R1.2793 CCCCN(CC)[C@@H]1CCC[C@H]1O 269982a_100000207695_200016002552 [1,0,0,1,0,0|2,0,0]=4 3049 B13R1.2935 CCCCOCN(CC)C1CCC1 2230a_100000758130_100011995733 [1,0,0,1,0,0|2,0,0]=4 3050 B13R1.2935 CCCCOCN(CC)C1CCC1 269982a_100000758130_100011995733 [1,0,0,1,0,0|2,0,0]=4 3051 B13R1.2935 CCN(CCCCCO)C1CCC1 2230a_100000758130_100000746330 [1,0,0,1,0,0|2,0,0]=4 3052 B13R1.2935 CCN(CCCCCO)C1CCC1 269982a_100000758130_100000746330 [1,0,0,1,0,0|2,0,0]=4 3053 B13R1.4966 CCC1(CCCC1)NCCCCO 2230a_100015183760_100000210776 [1,0,0,1,0,0|2,0,0]=4 3054 B13R1.4966 CCC1(CCCC1)OCCCCO 7a_100000752416_100000210776 [1,0,0,1,0,0|2,0,0]=4 3055 B13R1.4966 CCCCOCC1(CCCC1)CN 34a_100000699429_100000210210 [1,0,0,1,0,0|2,0,0]=4 3056 B13R1.4966 NCC1(CCCC1)COCCCF 34a_100000699429_100011934791 [1,0,0,1,0,0|2,0,0]=4 3057 B13R1.4966 NCC1(CCCC1)COCCCO 34a_100000699429_100000230001 [1,0,0,1,0,0|1,0,0]=3 3058 B13R1.4966 OCCCNCC1(CCCC1)CO 2230a_100000699429_100000230001 [1,0,0,1,0,0|2,0,0]=4 3059 B13R1.4966 OCCCNCC1(CCCC1)CO 34a_100000699429_100000230001 [1,0,0,1,0,0|2,0,0]=4 3060 B13R1.81 CCC1CN(CCO1)CC(O)CO 2230a_100000736320_100011219619 [1,0,0,1,0,0|2,0,0]=4 3061 B13R1.81 CCC1CN(CCO1)CC(O)CO 34a_100000736320_100011219619 [1,0,0,1,0,0|2,0,0]=4 3062 B13R1.81 CCC1CN(CCO1)C[C@@H](O)CO 2230a_100000736320_100009815848 [1,0,0,1,0,0|2,0,0]=4 3063 B13R1.81 CCC1CN(CCO1)C[C@@H](O)CO 34a_100000736320_100009815848 [1,0,0,1,0,0|2,0,0]=4 3064 B13R1.81 COC1CCCN(C1)CC(O)CO 2230a_100000695604_100011219619 [1,0,0,1,0,0|2,0,0]=4 3065 B13R1.81 COC1CCCN(C1)CC(O)CO 34a_100000695604_100011219619 [1,0,0,1,0,0|2,0,0]=4 3066 B13R1.81 COC1CCCN(C1)C[C@@H](O)CO 2230a_100000695604_100009815848 [1,0,0,1,0,0|2,0,0]=4 3067 B13R1.81 COC1CCCN(C1)C[C@@H](O)CO 34a_100000695604_100009815848 [1,0,0,1,0,0|2,0,0]=4 3068 B13R1.81 OCC(O)CN1CCCC(C1)CF 2230a_100016992999_100011219619 [1,0,0,1,0,0|2,0,0]=4 3069 B13R1.81 OCC(O)CN1CCCC(C1)CF 34a_100016992999_100011219619 [1,0,0,1,0,0|2,0,0]=4 3070 B13R1.81 OCC(O)CN1CCCC(C1)CO 2230a_100000211344_100011219619 [1,0,0,1,0,0|2,0,0]=4 3071 B13R1.81 OCC(O)CN1CCCC(C1)CO 34a_100000211344_100011219619 [1,0,0,1,0,0|2,0,0]=4 3072 B13R1.81 OCC1CCCN(C1)C[C@@H](O)CO 2230a_100000211344_100009815848 [1,0,0,1,0,0|2,0,0]=4 3073 B13R1.81 OCC1CCCN(C1)C[C@@H](O)CO 34a_100000211344_100009815848 [1,0,0,1,0,0|2,0,0]=4 3074 B13R1.81 OC[C@H](O)CN1CCCC(C1)CF 2230a_100016992999_100009815848 [1,0,0,1,0,0|2,0,0]=4 3075 B13R1.81 OC[C@H](O)CN1CCCC(C1)CF 34a_100016992999_100009815848 [1,0,0,1,0,0|2,0,0]=4 3076 B13R1.360 CCO[C@H]1CCN(C1)CC(O)CO 2230a_100011787710_100011219619 [1,0,0,1,0,0|2,0,0]=4 3077 B13R1.360 CCO[C@H]1CCN(C1)CC(O)CO 34a_100011787710_100011219619 [1,0,0,1,0,0|2,0,0]=4 3078 B13R1.360 CCO[C@H]1CCN(C1)C[C@@H](O)CO 2230a_100011787710_100009815848 [1,0,0,1,0,0|2,0,0]=4 3079 B13R1.360 CCO[C@H]1CCN(C1)C[C@@H](O)CO 34a_100011787710_100009815848 [1,0,0,1,0,0|2,0,0]=4 3080 B13R1.360 COCC1CCN(C1)CC(O)CO 2230a_100025706693_100011219619 [1,0,0,1,0,0|2,0,0]=4 3081 B13R1.360 COCC1CCN(C1)CC(O)CO 34a_100025706693_100011219619 [1,0,0,1,0,0|2,0,0]=4 3082 B13R1.360 COCC1CCN(C1)C[C@@H](O)CO 2230a_100025706693_100009815848 [1,0,0,1,0,0|2,0,0]=4 3083 B13R1.360 COCC1CCN(C1)C[C@@H](O)CO 34a_100025706693_100009815848 [1,0,0,1,0,0|2,0,0]=4 3084 B13R1.360 OCCC1CCN(C1)CC(O)CO 2230a_100016987287_100011219619 [1,0,0,1,0,0|2,0,0]=4 3085 B13R1.360 OCCC1CCN(C1)CC(O)CO 34a_100016987287_100011219619 [1,0,0,1,0,0|2,0,0]=4 3086 B13R1.360 OCCC1CCN(C1)C[C@@H](O)CO 2230a_100016987287_100009815848 [1,0,0,1,0,0|2,0,0]=4 3087 B13R1.360 OCCC1CCN(C1)C[C@@H](O)CO 34a_100016987287_100009815848 [1,0,0,1,0,0|2,0,0]=4 3088 B13R1.599 CCC(O)COCC1CCCN1C 34a_100000743107_100011218378 [1,0,0,1,0,0|2,0,0]=4 3089 B13R1.599 CN1CCCC1COCC(O)CO 34a_100000743107_100011219619 [1,0,0,1,0,0|1,0,0]=3 3090 B13R1.599 CN1CCCC1COC[C@@H](O)CF 34a_100000743107_100015614560 [1,0,0,1,0,0|2,0,0]=4 3091 B13R1.599 CN1CCCC1COC[C@@H](O)CO 34a_100000743107_100009815848 [1,0,0,1,0,0|1,0,0]=3 3092 B13R1.599 C[C@@H](CO)COCC1CCCN1C 34a_100000743107_100000059175 [1,0,0,1,0,0|2,0,0]=4 3093 B13R1.613 CCC(O)CNC1CCCC1CC 269862a_100011218483_100000749056 [1,0,0,1,0,0|2,0,0]=4 3094 B13R1.613 CCC(O)CNC1CCCC1CC 270004a_100011218483_100000749056 [1,0,0,1,0,0|2,0,0]=4 3095 B13R1.613 CCC1CCCC1NCC(C)CO 269862a_100000744482_100000749056 [1,0,0,1,0,0|2,0,0]=4 3096 B13R1.613 CCC1CCCC1NC[C@@H](F)CO 269862a_100015665980_100000749056 [1,0,0,1,0,0|2,0,0]=4 3097 B13R1.613 CCC1CCCC1NC[C@@H](F)CO 270004a_100015665980_100000749056 [1,0,0,1,0,0|2,0,0]=4 3098 B13R1.613 CCC1CCCC1NC[C@H](O)CO 269862a_100020644852_100000749056 [1,0,0,1,0,0|1,0,0]=3 3099 B13R1.613 N#C[C@@H]1CCC[C@H]1OCC(O)CO 34a_100011907464_100011219619 [1,0,0,1,0,0|1,0,1]=4 3100 B13R1.613 N#C[C@@H]1CCC[C@H]1OCC(O)CO 7a_100011907464_100011219619 [1,0,0,1,0,0|1,0,1]=4 3101 B13R1.613 N#C[C@@H]1CCC[C@H]1OC[C@@H](O)CO 34a_100011907464_100009815848 [1,0,0,1,0,0|1,0,1]=4 3102 B13R1.613 N#C[C@@H]1CCC[C@H]1OC[C@@H](O)CO 7a_100011907464_100009815848 [1,0,0,1,0,0|1,0,1]=4 3103 B13R1.5768 CCC(O)CNCC1(CCC1)CC 2230a_100000685557_100011218378 [1,0,0,1,0,0|2,0,0]=4 3104 B13R1.5768 CCC(O)COCC1(COC1)CC 7a_100000039901_100011218378 [1,0,0,1,0,0|2,0,0]=4 3105 B13R1.5768 CCC1(CCC1)CNCC(O)CO 2230a_100000685557_100011219619 [1,0,0,1,0,0|1,0,0]=3 3106 B13R1.5768 CCC1(CCC1)CNC[C@@H](C)CO 2230a_100000685557_100000059175 [1,0,0,1,0,0|2,0,0]=4 3107 B13R1.5768 CCC1(CCC1)CNC[C@@H](O)CF 2230a_100000685557_100015614560 [1,0,0,1,0,0|2,0,0]=4 3108 B13R1.5768 CCC1(CCC1)CNC[C@@H](O)CO 2230a_100000685557_100009815848 [1,0,0,1,0,0|1,0,0]=3 3109 B13R1.5768 CCC1(COC1)CNCC(O)CO 2230a_100000101356_100011219619 [1,0,0,1,0,0|2,0,0]=4 3110 B13R1.5768 CCC1(COC1)CNC[C@@H](O)CO 2230a_100000101356_100009815848 [1,0,0,1,0,0|2,0,0]=4 3111 B13R1.5768 CCC1(COC1)CNC[C@H](O)CO 2230a_100020644852_200009907690 [1,0,0,1,0,0|2,0,0]=4 3112 B13R1.5768 CCC1(COC1)CNC[C@H](O)CO 269862a_100020644852_100000687158 [1,0,0,1,0,0|2,0,0]=4 3113 B13R1.5768 CCC1(COC1)COCC(O)CO 7a_100000039901_100011219619 [1,0,0,1,0,0|1,0,0]=3 3114 B13R1.5768 CCC1(COC1)COC[C@@H](C)CO 7a_100000039901_100000059175 [1,0,0,1,0,0|2,0,0]=4 3115 B13R1.5768 CCC1(COC1)COC[C@@H](O)CF 7a_100000039901_100015614560 [1,0,0,1,0,0|2,0,0]=4 3116 B13R1.5768 CCC1(COC1)COC[C@@H](O)CO 7a_100000039901_100009815848 [1,0,0,1,0,0|1,0,0]=3 3117 B13R1.5768 CCC1(COC1)CSCC(O)CO 62a_100011219619_200009907690 [1,0,0,1,0,0|1,1,0]=4 3118 B13R1.5768 CCC1(COC1)CSCC(O)CO 62a_200009907690_100011219619 [1,0,0,1,0,0|1,1,0]=4 3119 B13R1.5768 CCC1(COC1)CSC[C@@H](O)CO 62a_100009815848_200009907690 [1,0,0,1,0,0|1,1,0]=4 3120 B13R1.5768 CCC1(COC1)CSC[C@@H](O)CO 62a_200009907690_100009815848 [1,0,0,1,0,0|1,1,0]=4 3121 B13R1.5768 OCC(O)CNCC1(CCC1)CO 2230a_100000701034_100011219619 [1,0,0,1,0,0|2,0,0]=4 3122 B13R1.5768 OC[C@H](O)CNCC1(CCC1)CO 2230a_100000701034_100009815848 [1,0,0,1,0,0|2,0,0]=4 3123 B13R1.8211 CCCN1CCCC(CC1)(O)CO 2230a_200015185645_100000210303 [1,0,0,1,0,0|2,0,0]=4 3124 B13R1.8211 CCCN1CCCC(CC1)(O)CO 269982a_200015185645_100000210303 [1,0,0,1,0,0|2,0,0]=4 3125 B13R1.9219 N#CCC1(CC1)COCC(O)CO 7a_100000763549_100011219619 [1,0,0,1,0,0|1,0,1]=4 3126 B13R1.9219 N#CCC1(CC1)COC[C@@H](O)CO 7a_100000763549_100009815848 [1,0,0,1,0,0|1,0,1]=4 3127 B13R1.25 CCCCC(CC)N1CCC(C1)O 269982a_100011215560_200011216223 [1,0,0,1,0,0|2,0,0]=4 3128 B13R1.25 CCCCC(CC)N1CCC(C1)O 270004a_100011215560_100000753412 [1,0,0,1,0,0|2,0,0]=4 3129 B13R1.25 CCCCN(CC)C1CCC(C1)O 270004a_100000207695_100012614533 [1,0,0,1,0,0|2,0,0]=4 3130 B13R1.60 CC(C)COC[C@H]1CC[C@H](C1)CN 34a_206354213956_100000210624 [1,0,0,1,0,0|2,0,0]=4 3131 B13R1.60 CC(O)CNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100011218427 [1,0,0,1,0,0|2,0,0]=4 3132 B13R1.60 CC(O)COC[C@H]1CC[C@H](C1)CN 34a_206354213956_100011218427 [1,0,0,1,0,0|1,0,0]=3 3133 B13R1.60 CCC1CCC(C1)NCCC(C)O 270004a_200000755665_100011218773 [1,0,0,1,0,0|2,0,0]=4 3134 B13R1.60 CCN1CCC(C1)CNCC(C)O 2230a_100000210904_100015184589 [1,0,0,1,0,0|2,0,0]=4 3135 B13R1.60 CCN1CCC(C1)CNCC(C)O 2230a_100011224064_100011218427 [1,0,0,1,0,0|2,0,0]=4 3136 B13R1.60 CCN1CCC(C1)CNC[C@@H](C)O 2230a_100011224064_100009817552 [1,0,0,1,0,0|2,0,0]=4 3137 B13R1.60 CCN1CCC(C1)CSCC(C)O 62a_100011218427_100015184589 [1,0,0,1,0,0|1,1,0]=4 3138 B13R1.60 CCN1CCC(C1)CSCC(C)O 62a_100015184589_100011218427 [1,0,0,1,0,0|1,1,0]=4 3139 B13R1.60 CCN1CCC(C1)CSC[C@@H](C)O 62a_100009817552_100015184589 [1,0,0,1,0,0|1,1,0]=4 3140 B13R1.60 CCN1CCC(C1)CSC[C@@H](C)O 62a_100015184589_100009817552 [1,0,0,1,0,0|1,1,0]=4 3141 B13R1.60 C[C@@H](O)CNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100009817552 [1,0,0,1,0,0|2,0,0]=4 3142 B13R1.60 C[C@@H](O)COC[C@H]1CC[C@H](C1)CN 34a_206354213956_100009817552 [1,0,0,1,0,0|1,0,0]=3 3143 B13R1.74 CCCCN1CCC(CC1)C(C)O 2230a_100011728446_100000210211 [1,0,0,1,0,0|2,0,0]=4 3144 B13R1.74 CCCCN1CCC(CC1)C(C)O 269982a_100011728446_100000210211 [1,0,0,1,0,0|2,0,0]=4 3145 B13R1.74 CCCCN1CCC(CC1)C(C)O 34a_100011728446_100000210210 [1,0,0,1,0,0|2,0,0]=4 3146 B13R1.90 C=C(C)COC1CCCCC1CC 34a_100000210738_100000748629 [1,0,0,1,0,0|1,0,1]=4 3147 B13R1.90 C=C(C)COC1CCCCC1CC 7a_100000210738_100000748629 [1,0,0,1,0,0|1,0,1]=4 3148 B13R1.90 CC(C)COC1CCCCC1CN 34a_100011216029_100000210624 [1,0,0,1,0,0|2,0,0]=4 3149 B13R1.90 CC(O)CNC1CCCCC1CO 270004a_100000210904_100009861125 [1,0,0,1,0,0|2,0,0]=4 3150 B13R1.90 CC(O)COC1CCCCC1CN 34a_100011216029_100011218427 [1,0,0,1,0,0|1,0,0]=3 3151 B13R1.90 CCC1CCCCC1NCC(C)C 269862a_100000210953_100000757040 [1,0,0,1,0,0|2,0,0]=4 3152 B13R1.90 CCC1CCCCC1NCC(C)C 270004a_100000210953_100000757040 [1,0,0,1,0,0|2,0,0]=4 3153 B13R1.90 CCC1CCCCC1NCC(C)O 269862a_100000210904_100000757040 [1,0,0,1,0,0|1,0,0]=3 3154 B13R1.90 CCC1CCCCC1NCC(C)O 270004a_100000210904_100000757040 [1,0,0,1,0,0|1,0,0]=3 3155 B13R1.90 CCC1CCCCC1OCC(C)C 34a_100000210738_100000210624 [1,0,0,1,0,0|1,0,0]=3 3156 B13R1.90 CCC1CCCCC1OCC(C)C 7a_100000210738_100000210760 [1,0,0,1,0,0|1,0,0]=3 3157 B13R1.90 CCC1CCCCC1OCC(C)O 34a_100000210738_100011218427 [1,0,0,1,0,0|0,0,0]=2 3158 B13R1.90 CCC1CCCCC1OCC(C)O 7a_100000210738_100011218427 [1,0,0,1,0,0|0,0,0]=2 3159 B13R1.90 CCC1CCCCC1OCC(F)F 34a_100000210738_100011934356 [1,0,0,1,0,0|2,0,0]=4 3160 B13R1.90 CCC1CCCCC1OCC(F)F 7a_100000210738_100011934356 [1,0,0,1,0,0|2,0,0]=4 3161 B13R1.90 CCC1CCCCC1OC[C@@H](C)O 34a_100000210738_100009817552 [1,0,0,1,0,0|0,0,0]=2 3162 B13R1.90 CCC1CCCCC1OC[C@@H](C)O 7a_100000210738_100009817552 [1,0,0,1,0,0|0,0,0]=2 3163 B13R1.90 CCC1CCCCN1CCC(C)O 2230a_100000210034_100012276601 [1,0,0,1,0,0|2,0,0]=4 3164 B13R1.90 CCC1CCCCN1CCC(C)O 269982a_100000210034_100012276601 [1,0,0,1,0,0|2,0,0]=4 3165 B13R1.90 CCC1CCCCN1CCC(C)O 34a_100000210034_100012276601 [1,0,0,1,0,0|2,0,0]=4 3166 B13R1.90 CN[C@@H]1CCCC[C@H]1OCC(C)C 34a_100000708425_100000210624 [1,0,0,1,0,0|2,0,0]=4 3167 B13R1.90 CN[C@@H]1CCCC[C@H]1OCC(C)O 34a_100000708425_100011218427 [1,0,0,1,0,0|1,0,0]=3 3168 B13R1.90 CN[C@@H]1CCCC[C@H]1OC[C@@H](C)O 34a_100000708425_100009817552 [1,0,0,1,0,0|1,0,0]=3 3169 B13R1.90 COC1CCCCC1NCC(C)O 270004a_100000210904_100000740605 [1,0,0,1,0,0|2,0,0]=4 3170 B13R1.90 COC1CCCCC1NCC(C)O 34a_100011208099_100011218427 [1,0,0,1,0,0|2,0,0]=4 3171 B13R1.90 COC1CCCCC1NC[C@@H](C)O 34a_100011208099_100009817552 [1,0,0,1,0,0|2,0,0]=4 3172 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(C)C 34a_200009815850_100000210624 [1,0,0,1,0,0|2,0,0]=4 3173 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(C)C 7a_200009815850_100000210760 [1,0,0,1,0,0|2,0,0]=4 3174 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(C)O 34a_200009815850_100011218427 [1,0,0,1,0,0|1,0,0]=3 3175 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(C)O 7a_200009815850_100011218427 [1,0,0,1,0,0|1,0,0]=3 3176 B13R1.90 CO[C@H]1CCCC[C@@H]1OC[C@@H](C)O 34a_200009815850_100009817552 [1,0,0,1,0,0|1,0,0]=3 3177 B13R1.90 CO[C@H]1CCCC[C@@H]1OC[C@@H](C)O 7a_200009815850_100009817552 [1,0,0,1,0,0|1,0,0]=3 3178 B13R1.90 C[C@@H](O)COC1CCCCC1CN 34a_100011216029_100009817552 [1,0,0,1,0,0|1,0,0]=3 3179 B13R1.97 CCC1CCC(N(C1)CC(C)C)C 2230a_100011219223_100000210760 [1,0,0,1,0,0|2,0,0]=4 3180 B13R1.97 CCC1CCC(N(C1)CC(C)C)C 269982a_100011219223_100000210624 [1,0,0,1,0,0|2,0,0]=4 3181 B13R1.97 CCC1CCC(N(C1)CC(C)C)C 270004a_100011219223_100000210432 [1,0,0,1,0,0|2,0,0]=4 3182 B13R1.97 CCC1CCC(N(C1)CC(C)C)C 34a_100011219223_100000210624 [1,0,0,1,0,0|2,0,0]=4 3183 B13R1.97 CCC1CCC(N(C1)CC(C)O)C 2230a_100011219223_100011218427 [1,0,0,1,0,0|1,0,0]=3 3184 B13R1.97 CCC1CCC(N(C1)CC(C)O)C 269982a_100011219223_100011218427 [1,0,0,1,0,0|1,0,0]=3 3185 B13R1.97 CCC1CCC(N(C1)CC(C)O)C 34a_100011219223_100011218427 [1,0,0,1,0,0|1,0,0]=3 3186 B13R1.97 CCC1CCC(N(C1)C[C@@H](C)O)C 2230a_100011219223_100009817552 [1,0,0,1,0,0|1,0,0]=3 3187 B13R1.97 CCC1CCC(N(C1)C[C@@H](C)O)C 269982a_100011219223_100009817552 [1,0,0,1,0,0|1,0,0]=3 3188 B13R1.97 CCC1CCC(N(C1)C[C@@H](C)O)C 34a_100011219223_100009817552 [1,0,0,1,0,0|1,0,0]=3 3189 B13R1.158 CC(Br)COCC1CCCCN1C 34a_100012180447_100015186950 [1,0,0,1,0,0|2,0,0]=4 3190 B13R1.158 CC(C)COCC1CCCCN1C 34a_100000210257_100015186950 [1,0,0,1,0,0|2,0,0]=4 3191 B13R1.158 CC(C)COCC1CCCCN1C 34a_100000225079_100000210624 [1,0,0,1,0,0|2,0,0]=4 3192 B13R1.158 CC(F)COCC1CCCCN1C 34a_100015925927_100015186950 [1,0,0,1,0,0|2,0,0]=4 3193 B13R1.158 CC(O)CCCN1CCCCC1C 2230a_100000211376_200000718107 [1,0,0,1,0,0|2,0,0]=4 3194 B13R1.158 CC(O)CCCN1CCCCC1C 269982a_100000211376_200000718107 [1,0,0,1,0,0|2,0,0]=4 3195 B13R1.158 CC(O)CCCN1CCCCC1C 34a_100000211376_200000718107 [1,0,0,1,0,0|2,0,0]=4 3196 B13R1.158 CC(O)CCNC1CCCCC1C 2230a_100000211402_100012276601 [1,0,0,1,0,0|2,0,0]=4 3197 B13R1.158 CC(O)CCNC1CCCCC1C 269862a_200000755665_100000210921 [1,0,0,1,0,0|2,0,0]=4 3198 B13R1.158 CC(O)CCNC1CCCCC1C 270004a_200000755665_100000210921 [1,0,0,1,0,0|2,0,0]=4 3199 B13R1.158 CC(O)CCNC1CCCCC1C 34a_100000211402_100012276601 [1,0,0,1,0,0|2,0,0]=4 3200 B13R1.158 CC(O)CCOC1CCCCC1C 34a_100000211207_100012276601 [1,0,0,1,0,0|2,0,0]=4 3201 B13R1.158 CC(O)CCOC1CCCCC1C 7a_100000211207_100012276601 [1,0,0,1,0,0|2,0,0]=4 3202 B13R1.158 CC(O)CNCC1CCCCC1O 34a_100011216029_100011218427 [1,0,0,1,0,0|2,0,0]=4 3203 B13R1.158 CC(O)CNCC1CCCCN1C 34a_100000210904_100015186950 [1,0,0,1,0,0|2,0,0]=4 3204 B13R1.158 CC(O)CNCC1CCCCN1C 34a_100011228421_100011218427 [1,0,0,1,0,0|2,0,0]=4 3205 B13R1.158 CC(O)COCC1CC=CCC1C 34a_100000211322_100011218427 [1,0,0,1,0,0|0,0,2]=4 3206 B13R1.158 CC(O)COCC1CCCCC1=O 34a_100009861125_100011218427 [1,0,0,1,0,0|1,0,1]=4 3207 B13R1.158 CC(O)COCC1CCCCC1=O 7a_100009861125_100011218427 [1,0,0,1,0,0|1,0,1]=4 3208 B13R1.158 CC(O)COCC1CCCCN1C 34a_100000225079_100011218427 [1,0,0,1,0,0|1,0,0]=3 3209 B13R1.158 CC(O)COCC1COCCC1N 34a_214813039666_100011218427 [1,0,0,1,0,0|2,0,0]=4 3210 B13R1.158 CC(O)COCC1COCCN1C 34a_100013547906_100011218427 [1,0,0,1,0,0|2,0,0]=4 3211 B13R1.158 CC(O)CSCC1CCCCN1C 62a_100011218427_100015185383 [1,0,0,1,0,0|1,1,0]=4 3212 B13R1.158 CC(O)CSCC1CCCCN1C 62a_100015185383_100011218427 [1,0,0,1,0,0|1,1,0]=4 3213 B13R1.158 CC1CC=CCC1COC[C@@H](C)O 34a_100000211322_100009817552 [1,0,0,1,0,0|0,0,2]=4 3214 B13R1.158 C[C@@H](Cl)COCC1CCCCN1C 34a_100016084084_100015186950 [1,0,0,1,0,0|2,0,0]=4 3215 B13R1.158 C[C@@H](N)COCC1CCCCN1C 34a_100000737577_100015186950 [1,0,0,1,0,0|2,0,0]=4 3216 B13R1.158 C[C@@H](O)CNCC1CCCCC1O 34a_100011216029_100009817552 [1,0,0,1,0,0|2,0,0]=4 3217 B13R1.158 C[C@@H](O)CNCC1CCCCN1C 34a_100011228421_100009817552 [1,0,0,1,0,0|2,0,0]=4 3218 B13R1.158 C[C@@H](O)COCC1CCCCC1=O 34a_100009861125_100009817552 [1,0,0,1,0,0|1,0,1]=4 3219 B13R1.158 C[C@@H](O)COCC1CCCCC1=O 7a_100009861125_100009817552 [1,0,0,1,0,0|1,0,1]=4 3220 B13R1.158 C[C@@H](O)COCC1CCCCN1C 34a_100000225079_100009817552 [1,0,0,1,0,0|1,0,0]=3 3221 B13R1.158 C[C@@H](O)COCC1COCCC1N 34a_214813039666_100009817552 [1,0,0,1,0,0|2,0,0]=4 3222 B13R1.158 C[C@@H](O)COCC1COCCN1C 34a_100013547906_100009817552 [1,0,0,1,0,0|2,0,0]=4 3223 B13R1.158 C[C@@H](O)CSCC1CCCCN1C 62a_100009817552_100015185383 [1,0,0,1,0,0|1,1,0]=4 3224 B13R1.158 C[C@@H](O)CSCC1CCCCN1C 62a_100015185383_100009817552 [1,0,0,1,0,0|1,1,0]=4 3225 B13R1.513 C=C(C)COCC1CCC(CC1)C 34a_100000701341_100000748629 [1,0,0,1,0,0|1,0,1]=4 3226 B13R1.513 C=C1CCC(CC1)COCC(C)O 34a_100000074039_100011218427 [1,0,0,1,0,0|0,0,2]=4 3227 B13R1.513 C=C1CCC(CC1)COC[C@@H](C)O 34a_100000074039_100009817552 [1,0,0,1,0,0|0,0,2]=4 3228 B13R1.513 CC(C)CNCC1CCC(CC1)C 2230a_103436935547_100000210760 [1,0,0,1,0,0|2,0,0]=4 3229 B13R1.513 CC(C)CNCC1CCC(CC1)C 270004a_103436935547_100000210432 [1,0,0,1,0,0|2,0,0]=4 3230 B13R1.513 CC(C)CNCC1CCC(CC1)C 34a_103436935547_100000210624 [1,0,0,1,0,0|2,0,0]=4 3231 B13R1.513 CC(C)COCC1CCC(CC1)C 34a_100000701341_100000210624 [1,0,0,1,0,0|1,0,0]=3 3232 B13R1.513 CC(C)COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000210624 [1,0,0,1,0,0|2,0,0]=4 3233 B13R1.513 CC(O)CCCN1CCC(CC1)C 2230a_100000188429_200000718107 [1,0,0,1,0,0|2,0,0]=4 3234 B13R1.513 CC(O)CCCN1CCC(CC1)C 269982a_100000188429_200000718107 [1,0,0,1,0,0|2,0,0]=4 3235 B13R1.513 CC(O)CCCN1CCC(CC1)C 34a_100000188429_200000718107 [1,0,0,1,0,0|2,0,0]=4 3236 B13R1.513 CC(O)CCNC1CCC(CC1)C 270004a_200000755665_100000185489 [1,0,0,1,0,0|2,0,0]=4 3237 B13R1.513 CC(O)CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100012276601 [1,0,0,1,0,0|2,0,0]=4 3238 B13R1.513 CC(O)CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100012276601 [1,0,0,1,0,0|2,0,0]=4 3239 B13R1.513 CC(O)CCOC1CCC(CC1)C 34a_100000210714_100012276601 [1,0,0,1,0,0|2,0,0]=4 3240 B13R1.513 CC(O)CCOC1CCC(CC1)C 7a_100000210714_100012276601 [1,0,0,1,0,0|2,0,0]=4 3241 B13R1.513 CC(O)CCSC1CCC(CC1)C 62a_100012276601_200011216234 [1,0,0,1,0,0|2,0,0]=4 3242 B13R1.513 CC(O)CNCC1CCC(CC1)C 2230a_103436935547_100011218427 [1,0,0,1,0,0|1,0,0]=3 3243 B13R1.513 CC(O)CNCC1CCC(CC1)C 34a_103436935547_100011218427 [1,0,0,1,0,0|1,0,0]=3 3244 B13R1.513 CC(O)COCC1CCC(=O)CC1 34a_100000062911_100011218427 [1,0,0,1,0,0|1,0,1]=4 3245 B13R1.513 CC(O)COCC1CCC(CC1)C 34a_100000701341_100011218427 [1,0,0,1,0,0|0,0,0]=2 3246 B13R1.513 CC(O)COC[C@@H]1CN[C@H](CN1)C 34a_100160570299_100011218427 [1,0,0,1,0,0|2,0,0]=4 3247 B13R1.513 CC(O)COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100011218427 [1,0,0,1,0,0|1,0,0]=3 3248 B13R1.513 CC(O)CSCC1CCN(CC1)C 62a_100011218427_100015183002 [1,0,0,1,0,0|1,1,0]=4 3249 B13R1.513 CC(O)CSCC1CCN(CC1)C 62a_100015183002_100011218427 [1,0,0,1,0,0|1,1,0]=4 3250 B13R1.513 CC1CCC(CC1)CNC[C@@H](C)O 2230a_103436935547_100009817552 [1,0,0,1,0,0|1,0,0]=3 3251 B13R1.513 CC1CCC(CC1)CNC[C@@H](C)O 34a_103436935547_100009817552 [1,0,0,1,0,0|1,0,0]=3 3252 B13R1.513 CC1CCC(CC1)COCC(F)F 34a_100000701341_100011934356 [1,0,0,1,0,0|2,0,0]=4 3253 B13R1.513 CC1CCC(CC1)COC[C@@H](C)O 34a_100000701341_100009817552 [1,0,0,1,0,0|0,0,0]=2 3254 B13R1.513 C[C@@H](O)COCC1CCC(=O)CC1 34a_100000062911_100009817552 [1,0,0,1,0,0|1,0,1]=4 3255 B13R1.513 C[C@@H](O)COC[C@@H]1CN[C@H](CN1)C 34a_100160570299_100009817552 [1,0,0,1,0,0|2,0,0]=4 3256 B13R1.513 C[C@@H](O)COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100009817552 [1,0,0,1,0,0|1,0,0]=3 3257 B13R1.513 C[C@@H](O)CSCC1CCN(CC1)C 62a_100009817552_100015183002 [1,0,0,1,0,0|1,1,0]=4 3258 B13R1.513 C[C@@H](O)CSCC1CCN(CC1)C 62a_100015183002_100009817552 [1,0,0,1,0,0|1,1,0]=4 3259 B13R1.1651 CCCCN1CCCC(CC1)(C)O 2230a_100000723723_100000210211 [1,0,0,1,0,0|2,0,0]=4 3260 B13R1.1651 CCCCN1CCCC(CC1)(C)O 269982a_100000723723_100000210211 [1,0,0,1,0,0|2,0,0]=4 3261 B13R1.1651 CCCCN1CCCC(CC1)(C)O 34a_100000723723_100000210210 [1,0,0,1,0,0|2,0,0]=4 3262 B13R1.1988 C=C(C)COCC1CCCCCC1 34a_100000210245_200000696569 [1,0,0,1,0,0|1,0,1]=4 3263 B13R1.1988 C=C(C)COCC1CCCCCC1 34a_100000699130_100000748629 [1,0,0,1,0,0|1,0,1]=4 3264 B13R1.1988 C=C(C)COCC1CCCCCC1 7a_100000699130_100000748629 [1,0,0,1,0,0|1,0,1]=4 3265 B13R1.1988 CC(=O)COCC1CCCCCC1 34a_100000211253_200000696569 [1,0,0,1,0,0|0,0,2]=4 3266 B13R1.1988 CC(Br)COCC1CCCCCC1 34a_100012180447_200000696569 [1,0,0,1,0,0|1,0,0]=3 3267 B13R1.1988 CC(C)CNCC1CCCCCC1 2230a_100000210953_200000696569 [1,0,0,1,0,0|2,0,0]=4 3268 B13R1.1988 CC(C)CNCC1CCCCCC1 2230a_100015204231_100000210760 [1,0,0,1,0,0|2,0,0]=4 3269 B13R1.1988 CC(C)CNCC1CCCCCC1 269862a_100000210953_200000763224 [1,0,0,1,0,0|2,0,0]=4 3270 B13R1.1988 CC(C)CNCC1CCCCCC1 270004a_100015204231_100000210432 [1,0,0,1,0,0|2,0,0]=4 3271 B13R1.1988 CC(C)CNCC1CCCCCC1 34a_100000210953_200000696569 [1,0,0,1,0,0|2,0,0]=4 3272 B13R1.1988 CC(C)CNCC1CCCCCC1 34a_100015204231_100000210624 [1,0,0,1,0,0|2,0,0]=4 3273 B13R1.1988 CC(C)COCC1CCCCCC1 34a_100000210257_200000696569 [1,0,0,1,0,0|1,0,0]=3 3274 B13R1.1988 CC(C)COCC1CCCCCC1 34a_100000699130_100000210624 [1,0,0,1,0,0|1,0,0]=3 3275 B13R1.1988 CC(C)COCC1CCCCCC1 7a_100000699130_100000210760 [1,0,0,1,0,0|1,0,0]=3 3276 B13R1.1988 CC(C)CSCC1CCCCCC1 62a_100000210624_200000696569 [1,0,0,1,0,0|1,1,0]=4 3277 B13R1.1988 CC(C)CSCC1CCCCCC1 62a_200000696569_100000210760 [1,0,0,1,0,0|1,1,0]=4 3278 B13R1.1988 CC(F)COCC1CCCCCC1 34a_100015925927_200000696569 [1,0,0,1,0,0|1,0,0]=3 3279 B13R1.1988 CC(O)CCCN1CCCCCC1 2230a_100000185865_200000718107 [1,0,0,1,0,0|2,0,0]=4 3280 B13R1.1988 CC(O)CCCN1CCCCCC1 269982a_100000185865_200000718107 [1,0,0,1,0,0|2,0,0]=4 3281 B13R1.1988 CC(O)CCCN1CCCCCC1 34a_100000185865_200000718107 [1,0,0,1,0,0|2,0,0]=4 3282 B13R1.1988 CC(O)CCNC1CCCCCC1 2230a_100000210984_100012276601 [1,0,0,1,0,0|2,0,0]=4 3283 B13R1.1988 CC(O)CCNC1CCCCCC1 270004a_200000755665_100000210131 [1,0,0,1,0,0|2,0,0]=4 3284 B13R1.1988 CC(O)CCNC1CCCCCC1 34a_100000210984_100012276601 [1,0,0,1,0,0|2,0,0]=4 3285 B13R1.1988 CC(O)CCOC1CCCCCC1 34a_100000210887_100012276601 [1,0,0,1,0,0|2,0,0]=4 3286 B13R1.1988 CC(O)CCOC1CCCCCC1 7a_100000210887_100012276601 [1,0,0,1,0,0|2,0,0]=4 3287 B13R1.1988 CC(O)CCSC1CCCCCC1 62a_100011217769_100012276601 [1,0,0,1,0,0|2,0,0]=4 3288 B13R1.1988 CC(O)CCSC1CCCCCC1 62a_100012276601_100011217769 [1,0,0,1,0,0|2,0,0]=4 3289 B13R1.1988 CC(O)CNCC1CCCCCC1 2230a_100000210904_200000696569 [1,0,0,1,0,0|1,0,0]=3 3290 B13R1.1988 CC(O)CNCC1CCCCCC1 2230a_100015204231_100011218427 [1,0,0,1,0,0|1,0,0]=3 3291 B13R1.1988 CC(O)CNCC1CCCCCC1 269862a_100000210904_200000763224 [1,0,0,1,0,0|1,0,0]=3 3292 B13R1.1988 CC(O)CNCC1CCCCCC1 34a_100000210904_200000696569 [1,0,0,1,0,0|1,0,0]=3 3293 B13R1.1988 CC(O)CNCC1CCCCCC1 34a_100015204231_100011218427 [1,0,0,1,0,0|1,0,0]=3 3294 B13R1.1988 CC(O)COCC1CCCCCC1 34a_100000699130_100011218427 [1,0,0,1,0,0|0,0,0]=2 3295 B13R1.1988 CC(O)COCC1CCCCCC1 7a_100000699130_100011218427 [1,0,0,1,0,0|0,0,0]=2 3296 B13R1.1988 CC(O)COCC1CNCCOC1 34a_100103147999_100011218427 [1,0,0,1,0,0|2,0,0]=4 3297 B13R1.1988 CC(O)CSCC1CCCCCC1 62a_100011218427_200000696569 [1,0,0,1,0,0|0,1,0]=3 3298 B13R1.1988 CC(O)CSCC1CCCCCC1 62a_200000696569_100011218427 [1,0,0,1,0,0|0,1,0]=3 3299 B13R1.1988 C[C@@H](Cl)COCC1CCCCCC1 34a_100016084084_200000696569 [1,0,0,1,0,0|1,0,0]=3 3300 B13R1.1988 C[C@@H](N)COCC1CCCCCC1 34a_100000737577_200000696569 [1,0,0,1,0,0|1,0,0]=3 3301 B13R1.1988 C[C@@H](O)CNCC1CCCCCC1 2230a_100015204231_100009817552 [1,0,0,1,0,0|1,0,0]=3 3302 B13R1.1988 C[C@@H](O)CNCC1CCCCCC1 34a_100015204231_100009817552 [1,0,0,1,0,0|1,0,0]=3 3303 B13R1.1988 C[C@@H](O)COCC1CCCCCC1 34a_100000699130_100009817552 [1,0,0,1,0,0|0,0,0]=2 3304 B13R1.1988 C[C@@H](O)COCC1CCCCCC1 7a_100000699130_100009817552 [1,0,0,1,0,0|0,0,0]=2 3305 B13R1.1988 C[C@@H](O)COCC1CNCCOC1 34a_100103147999_100009817552 [1,0,0,1,0,0|2,0,0]=4 3306 B13R1.1988 C[C@@H](O)CSCC1CCCCCC1 62a_100009817552_200000696569 [1,0,0,1,0,0|0,1,0]=3 3307 B13R1.1988 C[C@@H](O)CSCC1CCCCCC1 62a_200000696569_100009817552 [1,0,0,1,0,0|0,1,0]=3 3308 B13R1.1988 FC(F)COCC1CCCCCC1 34a_100000699130_100011934356 [1,0,0,1,0,0|2,0,0]=4 3309 B13R1.1988 FC(F)COCC1CCCCCC1 34a_100000743014_200000696569 [1,0,0,1,0,0|2,0,0]=4 3310 B13R1.1988 FC(F)COCC1CCCCCC1 7a_100000699130_100011934356 [1,0,0,1,0,0|2,0,0]=4 3311 B13R1.2795 CCCCC(CC)CN1CC(C1)C 2230a_100000702820_100000211942 [1,0,0,1,0,0|2,0,0]=4 3312 B13R1.2795 CCCCC(CC)CN1CC(C1)C 269982a_100000702820_100000211942 [1,0,0,1,0,0|2,0,0]=4 3313 B13R1.2795 CCCCC(CC)CN1CC(C1)C 270004a_100000702820_100011219736 [1,0,0,1,0,0|2,0,0]=4 3314 B13R1.2795 CCCCC(CC)CN1CC(C1)C 34a_100000702820_100000211942 [1,0,0,1,0,0|2,0,0]=4 3315 B13R1.2795 CCCCC(CC)CN1CC(C1)F 2230a_100000690557_100000211942 [1,0,0,1,0,0|2,0,0]=4 3316 B13R1.2795 CCCCC(CC)CN1CC(C1)F 269982a_100000690557_100000211942 [1,0,0,1,0,0|2,0,0]=4 3317 B13R1.2795 CCCCC(CC)CN1CC(C1)F 270004a_100000690557_100011219736 [1,0,0,1,0,0|2,0,0]=4 3318 B13R1.2795 CCCCC(CC)CN1CC(C1)F 34a_100000690557_100000211942 [1,0,0,1,0,0|2,0,0]=4 3319 B13R1.2795 CCCCC(CC)CN1CC(C1)O 269982a_100000749847_100000211942 [1,0,0,1,0,0|1,0,0]=3 3320 B13R1.2795 CCCCC(CC)N[C@H]1C[C@@H](C1)O 270004a_100020629032_100000753412 [1,0,0,1,0,0|2,0,0]=4 3321 B13R1.5751 CCN(CCCC(C)O)C1CCC1 2230a_100000758130_200000718107 [1,0,0,1,0,0|2,0,0]=4 3322 B13R1.5751 CCN(CCCC(C)O)C1CCC1 269982a_100000758130_200000718107 [1,0,0,1,0,0|2,0,0]=4 3323 B13R1.5997 CC(C)COCC1(CCCC1)CN 34a_100000699429_100000210624 [1,0,0,1,0,0|2,0,0]=4 3324 B13R1.5997 CC(O)CNCC1(CCCC1)CO 2230a_100000699429_100011218427 [1,0,0,1,0,0|2,0,0]=4 3325 B13R1.5997 CC(O)CNCC1(CCCC1)CO 34a_100000699429_100011218427 [1,0,0,1,0,0|2,0,0]=4 3326 B13R1.5997 CC(O)COCC1(CCCC1)CN 34a_100000699429_100011218427 [1,0,0,1,0,0|1,0,0]=3 3327 B13R1.5997 CCC1(CCCC1)NCCC(C)O 2230a_100015183760_100012276601 [1,0,0,1,0,0|2,0,0]=4 3328 B13R1.5997 CCC1(CCCC1)OCCC(C)O 7a_100000752416_100012276601 [1,0,0,1,0,0|2,0,0]=4 3329 B13R1.5997 C[C@@H](O)CNCC1(CCCC1)CO 2230a_100000699429_100009817552 [1,0,0,1,0,0|2,0,0]=4 3330 B13R1.5997 C[C@@H](O)CNCC1(CCCC1)CO 34a_100000699429_100009817552 [1,0,0,1,0,0|2,0,0]=4 3331 B13R1.5997 C[C@@H](O)COCC1(CCCC1)CN 34a_100000699429_100009817552 [1,0,0,1,0,0|1,0,0]=3 3332 B13R1.14 C=CC(O)COC1CCC(CC1)C 34a_100000210714_100000730141 [0,0,0,1,1,0|1,0,1]=4 3333 B13R1.14 C=CC(O)COC1CCC(CC1)C 7a_100000210714_100000730141 [0,0,0,1,1,0|1,0,1]=4 3334 B13R1.14 CC(CO)OC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100012180447 [0,0,0,1,1,0|2,0,0]=4 3335 B13R1.14 CC1CCC(CC1)CNC(C)CO 2230a_103436935547_100012180447 [0,0,0,1,1,0|2,0,0]=4 3336 B13R1.14 CC1CCC(CC1)CNC(C)CO 34a_103436935547_100012180447 [0,0,0,1,1,0|2,0,0]=4 3337 B13R1.14 CC1CCC(CC1)COC(C)CO 34a_100000701341_100012180447 [0,0,0,1,1,0|1,0,0]=3 3338 B13R1.14 CC1CCC(CC1)NCC(C)CO 34a_100000744482_200011216234 [0,0,0,1,1,0|2,0,0]=4 3339 B13R1.14 CC1CCC(CC1)NC[C@@H](F)CO 270004a_100015665980_100000185489 [0,0,0,1,1,0|2,0,0]=4 3340 B13R1.14 CC1CCC(CC1)NC[C@@H](F)CO 34a_100015665980_200011216234 [0,0,0,1,1,0|2,0,0]=4 3341 B13R1.14 CC1CCC(CC1)OCC(C)CN 34a_100000744482_200011216234 [0,0,0,1,1,0|2,0,0]=4 3342 B13R1.14 CC1CCC(CC1)OCC(Cl)CCl 34a_100000033668_200011216234 [0,0,0,1,1,0|2,0,0]=4 3343 B13R1.14 CC1CCC(CC1)OCC(O)CO 34a_100000210714_100011219619 [0,0,0,1,1,0|0,0,0]=2 3344 B13R1.14 CC1CCC(CC1)OCC(O)CO 7a_100000210714_100011219619 [0,0,0,1,1,0|0,0,0]=2 3345 B13R1.14 CC1CCC(CC1)OC[C@@H](C)CO 34a_100000210714_100000059175 [0,0,0,1,1,0|1,0,0]=3 3346 B13R1.14 CC1CCC(CC1)OC[C@@H](C)CO 7a_100000210714_100000059175 [0,0,0,1,1,0|1,0,0]=3 3347 B13R1.14 CC1CCC(CC1)OC[C@@H](O)CF 34a_100000210714_100015614560 [0,0,0,1,1,0|1,0,0]=3 3348 B13R1.14 CC1CCC(CC1)OC[C@@H](O)CF 7a_100000210714_100015614560 [0,0,0,1,1,0|1,0,0]=3 3349 B13R1.14 CC1CCC(CC1)OC[C@@H](O)CO 34a_100000210714_100009815848 [0,0,0,1,1,0|0,0,0]=2 3350 B13R1.14 CC1CCC(CC1)OC[C@@H](O)CO 7a_100000210714_100009815848 [0,0,0,1,1,0|0,0,0]=2 3351 B13R1.14 CC1CCC(CC1)OC[C@H](F)CN 34a_100015665980_200011216234 [0,0,0,1,1,0|2,0,0]=4 3352 B13R1.14 CC1CCC(CC1)SCC(O)CO 62a_100011219619_200011216234 [0,0,0,1,1,0|0,1,0]=3 3353 B13R1.14 CC1CCC(CC1)SC[C@@H](C)CO 62a_100000059175_200011216234 [0,0,0,1,1,0|1,1,0]=4 3354 B13R1.14 CC1CCC(CC1)SC[C@@H](O)CF 62a_100015614560_200011216234 [0,0,0,1,1,0|1,1,0]=4 3355 B13R1.14 CC1CCC(CC1)SC[C@@H](O)CO 62a_100009815848_200011216234 [0,0,0,1,1,0|0,1,0]=3 3356 B13R1.14 CCC(C)COC1CCC(CC1)C 34a_100000210714_100000748023 [0,0,0,1,1,0|2,0,0]=4 3357 B13R1.14 CCC(C)COC1CCC(CC1)C 7a_100000210714_100000748023 [0,0,0,1,1,0|2,0,0]=4 3358 B13R1.14 CCC(C)OCC1CCC(CC1)C 34a_100000701341_100011215416 [0,0,0,1,1,0|2,0,0]=4 3359 B13R1.14 CCC(O)CNC1CCC(CC1)C 270004a_100011218483_100000185489 [0,0,0,1,1,0|2,0,0]=4 3360 B13R1.14 CCC(O)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100011218378 [0,0,0,1,1,0|2,0,0]=4 3361 B13R1.14 CCC(O)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100011218378 [0,0,0,1,1,0|2,0,0]=4 3362 B13R1.14 CCC(O)COC1CCC(CC1)C 34a_100000210714_100011218378 [0,0,0,1,1,0|1,0,0]=3 3363 B13R1.14 CCC(O)COC1CCC(CC1)C 7a_100000210714_100011218378 [0,0,0,1,1,0|1,0,0]=3 3364 B13R1.14 CCC(O)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100011218378 [0,0,0,1,1,0|2,0,0]=4 3365 B13R1.14 CCC(O)CSC1CCC(CC1)C 62a_100011218378_200011216234 [0,0,0,1,1,0|1,1,0]=4 3366 B13R1.14 CC[C@H](C)COC1CCC(CC1)C 34a_100000210714_100009816398 [0,0,0,1,1,0|2,0,0]=4 3367 B13R1.14 CC[C@H](C)COC1CCC(CC1)C 7a_100000210714_100009816398 [0,0,0,1,1,0|2,0,0]=4 3368 B13R1.14 CN1CCC(CC1)SCC(O)CO 62a_100011219619_100011215917 [0,0,0,1,1,0|1,1,0]=4 3369 B13R1.14 CN1CCC(CC1)SC[C@@H](O)CO 62a_100009815848_100011215917 [0,0,0,1,1,0|1,1,0]=4 3370 B13R1.14 C[C@@H](CO)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000059175 [0,0,0,1,1,0|2,0,0]=4 3371 B13R1.14 C[C@@H](CO)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000059175 [0,0,0,1,1,0|2,0,0]=4 3372 B13R1.14 C[C@@H](CO)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000059175 [0,0,0,1,1,0|2,0,0]=4 3373 B13R1.14 C[C@H]1CC[C@@H](CC1)NCC(O)CO 2230a_100020625639_100011219619 [0,0,0,1,1,0|1,0,0]=3 3374 B13R1.14 C[C@H]1CC[C@@H](CC1)NCC(O)CO 34a_100020625639_100011219619 [0,0,0,1,1,0|1,0,0]=3 3375 B13R1.14 C[C@H]1CC[C@@H](CC1)NC[C@@H](O)CF 2230a_100020625639_100015614560 [0,0,0,1,1,0|2,0,0]=4 3376 B13R1.14 C[C@H]1CC[C@@H](CC1)NC[C@@H](O)CF 34a_100020625639_100015614560 [0,0,0,1,1,0|2,0,0]=4 3377 B13R1.14 C[C@H]1CC[C@@H](CC1)NC[C@@H](O)CO 2230a_100020625639_100009815848 [0,0,0,1,1,0|1,0,0]=3 3378 B13R1.14 C[C@H]1CC[C@@H](CC1)NC[C@@H](O)CO 34a_100020625639_100009815848 [0,0,0,1,1,0|1,0,0]=3 3379 B13R1.14 N[C@H]1CC[C@H](CC1)OCC(O)CO 34a_100020628982_100011219619 [0,0,0,1,1,0|1,0,0]=3 3380 B13R1.14 N[C@H]1CC[C@H](CC1)OC[C@@H](O)CF 34a_100020628982_100015614560 [0,0,0,1,1,0|2,0,0]=4 3381 B13R1.14 N[C@H]1CC[C@H](CC1)OC[C@@H](O)CO 34a_100020628982_100009815848 [0,0,0,1,1,0|1,0,0]=3 3382 B13R1.14 O=C1CCC(CC1)OCC(O)CO 34a_100000764474_100011219619 [0,0,0,1,1,0|1,0,1]=4 3383 B13R1.14 O=C1CCC(CC1)OCC(O)CO 7a_100000764474_100011219619 [0,0,0,1,1,0|1,0,1]=4 3384 B13R1.14 O=C1CCC(CC1)OC[C@@H](O)CO 34a_100000764474_100009815848 [0,0,0,1,1,0|1,0,1]=4 3385 B13R1.14 O=C1CCC(CC1)OC[C@@H](O)CO 7a_100000764474_100009815848 [0,0,0,1,1,0|1,0,1]=4 3386 B13R1.61 CC(CO)OC[C@H]1CC[C@H](C1)CN 34a_206354213956_100012180447 [0,0,0,1,1,0|2,0,0]=4 3387 B13R1.61 CCC(O)CNC1CCC(C1)CC 270004a_100011218483_100011218773 [0,0,0,1,1,0|2,0,0]=4 3388 B13R1.61 CCC1CCC(C1)NC[C@@H](F)CO 270004a_100015665980_100011218773 [0,0,0,1,1,0|2,0,0]=4 3389 B13R1.61 CCN1CCC(C1)NCC(O)CO 2230a_100015188829_100011219619 [0,0,0,1,1,0|2,0,0]=4 3390 B13R1.61 CCN1CCC(C1)NC[C@@H](O)CO 2230a_100015188829_100009815848 [0,0,0,1,1,0|2,0,0]=4 3391 B13R1.61 CCN1CCC(C1)SCC(O)CO 62a_100011219619_200011861547 [0,0,0,1,1,0|1,1,0]=4 3392 B13R1.61 CCN1CCC(C1)SC[C@@H](O)CO 62a_100009815848_200011861547 [0,0,0,1,1,0|1,1,0]=4 3393 B13R1.91 CC(CO)OC1CCCCC1CN 34a_100011216029_100012180447 [0,0,0,1,1,0|2,0,0]=4 3394 B13R1.91 CCC(C)OC1CCCCC1CC 34a_100000210738_100011215416 [0,0,0,1,1,0|2,0,0]=4 3395 B13R1.91 CCC(C)OC1CCCCC1CC 7a_100000210738_100000758301 [0,0,0,1,1,0|2,0,0]=4 3396 B13R1.91 CCC(O)CN1CCCCC1CC 2230a_100000210034_100011218378 [0,0,0,1,1,0|2,0,0]=4 3397 B13R1.91 CCC(O)CN1CCCCC1CC 269982a_100000210034_100011218378 [0,0,0,1,1,0|2,0,0]=4 3398 B13R1.91 CCC(O)CN1CCCCC1CC 34a_100000210034_100011218378 [0,0,0,1,1,0|2,0,0]=4 3399 B13R1.91 CCC1CCCCC1N[C@H](C)CO 269862a_100000737577_100000757040 [0,0,0,1,1,0|2,0,0]=4 3400 B13R1.91 CCC1CCCCC1N[C@H](C)CO 270004a_100000737577_100000757040 [0,0,0,1,1,0|2,0,0]=4 3401 B13R1.91 CCC1CCCCC1OC(C)CO 34a_100000210738_100012180447 [0,0,0,1,1,0|1,0,0]=3 3402 B13R1.91 CCC1CCCCC1OC(C)CO 7a_100000210738_100012180447 [0,0,0,1,1,0|1,0,0]=3 3403 B13R1.91 CCC1CCCCN1CC(O)CO 2230a_100000210034_100011219619 [0,0,0,1,1,0|1,0,0]=3 3404 B13R1.91 CCC1CCCCN1CC(O)CO 34a_100000210034_100011219619 [0,0,0,1,1,0|1,0,0]=3 3405 B13R1.91 CCC1CCCCN1C[C@@H](C)CO 2230a_100000210034_100000059175 [0,0,0,1,1,0|2,0,0]=4 3406 B13R1.91 CCC1CCCCN1C[C@@H](C)CO 269982a_100000210034_100000059175 [0,0,0,1,1,0|2,0,0]=4 3407 B13R1.91 CCC1CCCCN1C[C@@H](C)CO 34a_100000210034_100000059175 [0,0,0,1,1,0|2,0,0]=4 3408 B13R1.91 CCC1CCCCN1C[C@@H](O)CF 2230a_100000210034_100015614560 [0,0,0,1,1,0|2,0,0]=4 3409 B13R1.91 CCC1CCCCN1C[C@@H](O)CF 34a_100000210034_100015614560 [0,0,0,1,1,0|2,0,0]=4 3410 B13R1.91 CCC1CCCCN1C[C@@H](O)CO 2230a_100000210034_100009815848 [0,0,0,1,1,0|1,0,0]=3 3411 B13R1.91 CCC1CCCCN1C[C@@H](O)CO 34a_100000210034_100009815848 [0,0,0,1,1,0|1,0,0]=3 3412 B13R1.91 CC[C@H]1COCCN1CC(O)CO 2230a_100016988097_100011219619 [0,0,0,1,1,0|2,0,0]=4 3413 B13R1.91 CC[C@H]1COCCN1CC(O)CO 34a_100016988097_100011219619 [0,0,0,1,1,0|2,0,0]=4 3414 B13R1.91 CC[C@H]1COCCN1C[C@@H](O)CO 2230a_100016988097_100009815848 [0,0,0,1,1,0|2,0,0]=4 3415 B13R1.91 CC[C@H]1COCCN1C[C@@H](O)CO 34a_100016988097_100009815848 [0,0,0,1,1,0|2,0,0]=4 3416 B13R1.91 CN[C@@H]1CCCC[C@H]1OC(C)CO 34a_100000708425_100012180447 [0,0,0,1,1,0|2,0,0]=4 3417 B13R1.91 CO[C@H]1CCCC[C@@H]1OC(C)CO 34a_200009815850_100012180447 [0,0,0,1,1,0|2,0,0]=4 3418 B13R1.91 CO[C@H]1CCCC[C@@H]1OC(C)CO 7a_200009815850_100012180447 [0,0,0,1,1,0|2,0,0]=4 3419 B13R1.91 OCC(O)CN1CCCCC1CO 2230a_100000210821_100011219619 [0,0,0,1,1,0|2,0,0]=4 3420 B13R1.91 OCC(O)CN1CCCCC1CO 34a_100000210821_100011219619 [0,0,0,1,1,0|2,0,0]=4 3421 B13R1.91 OCC1CCCCN1C[C@@H](O)CO 2230a_100000210821_100009815848 [0,0,0,1,1,0|2,0,0]=4 3422 B13R1.91 OCC1CCCCN1C[C@@H](O)CO 34a_100000210821_100009815848 [0,0,0,1,1,0|2,0,0]=4 3423 B13R1.1711 C=CC(O)COC1CCCCCC1 34a_100000210887_100000730141 [0,0,0,1,1,0|1,0,1]=4 3424 B13R1.1711 C=CC(O)COC1CCCCCC1 7a_100000210887_100000730141 [0,0,0,1,1,0|1,0,1]=4 3425 B13R1.1711 CC(CF)OCC1CCCCCC1 34a_100016041109_200000696569 [0,0,0,1,1,0|2,0,0]=4 3426 B13R1.1711 CC(CF)OCC1CCCCCC1 7a_100016041109_200000696569 [0,0,0,1,1,0|2,0,0]=4 3427 B13R1.1711 CC(CN)COC1CCCCCC1 34a_100000744482_100011217769 [0,0,0,1,1,0|2,0,0]=4 3428 B13R1.1711 CC(CN)OCC1CCCCCC1 34a_100000210904_200000696569 [0,0,0,1,1,0|2,0,0]=4 3429 B13R1.1711 CC(CO)CNC1CCCCCC1 34a_100000744482_100011217769 [0,0,0,1,1,0|2,0,0]=4 3430 B13R1.1711 CC(CO)NCC1CCCCCC1 2230a_100015204231_100012180447 [0,0,0,1,1,0|2,0,0]=4 3431 B13R1.1711 CC(CO)NCC1CCCCCC1 34a_100015204231_100012180447 [0,0,0,1,1,0|2,0,0]=4 3432 B13R1.1711 CC(CO)OCC1CCCCCC1 34a_100000699130_100012180447 [0,0,0,1,1,0|1,0,0]=3 3433 B13R1.1711 CC(CO)OCC1CCCCCC1 7a_100000699130_100012180447 [0,0,0,1,1,0|1,0,0]=3 3434 B13R1.1711 CC(CO)SCC1CCCCCC1 62a_100012180447_200000696569 [0,0,0,1,1,0|1,1,0]=4 3435 B13R1.1711 CCC(C)COC1CCCCCC1 34a_100000210887_100000748023 [0,0,0,1,1,0|2,0,0]=4 3436 B13R1.1711 CCC(C)COC1CCCCCC1 7a_100000210887_100000748023 [0,0,0,1,1,0|2,0,0]=4 3437 B13R1.1711 CCC(C)OCC1CCCCCC1 34a_100000699130_100011215416 [0,0,0,1,1,0|2,0,0]=4 3438 B13R1.1711 CCC(C)OCC1CCCCCC1 7a_100000210228_200000696569 [0,0,0,1,1,0|2,0,0]=4 3439 B13R1.1711 CCC(C)OCC1CCCCCC1 7a_100000699130_100000758301 [0,0,0,1,1,0|2,0,0]=4 3440 B13R1.1711 CCC(O)CNC1CCCCCC1 2230a_100000210984_100011218378 [0,0,0,1,1,0|2,0,0]=4 3441 B13R1.1711 CCC(O)CNC1CCCCCC1 270004a_100011218483_100000210131 [0,0,0,1,1,0|2,0,0]=4 3442 B13R1.1711 CCC(O)CNC1CCCCCC1 34a_100000210984_100011218378 [0,0,0,1,1,0|2,0,0]=4 3443 B13R1.1711 CCC(O)COC1CCCCCC1 34a_100000210887_100011218378 [0,0,0,1,1,0|1,0,0]=3 3444 B13R1.1711 CCC(O)COC1CCCCCC1 7a_100000210887_100011218378 [0,0,0,1,1,0|1,0,0]=3 3445 B13R1.1711 CCC(O)CSC1CCCCCC1 62a_100011217769_100011218378 [0,0,0,1,1,0|1,1,0]=4 3446 B13R1.1711 CCC(O)CSC1CCCCCC1 62a_100011218378_100011217769 [0,0,0,1,1,0|1,1,0]=4 3447 B13R1.1711 CC[C@H](C)COC1CCCCCC1 34a_100000210887_100009816398 [0,0,0,1,1,0|2,0,0]=4 3448 B13R1.1711 CC[C@H](C)COC1CCCCCC1 7a_100000210887_100009816398 [0,0,0,1,1,0|2,0,0]=4 3449 B13R1.1711 C[C@@H](CO)CNC1CCCCCC1 2230a_100000210984_100000059175 [0,0,0,1,1,0|2,0,0]=4 3450 B13R1.1711 C[C@@H](CO)CNC1CCCCCC1 34a_100000210984_100000059175 [0,0,0,1,1,0|2,0,0]=4 3451 B13R1.1711 C[C@@H](CO)COC1CCCCCC1 34a_100000210887_100000059175 [0,0,0,1,1,0|1,0,0]=3 3452 B13R1.1711 C[C@@H](CO)COC1CCCCCC1 7a_100000210887_100000059175 [0,0,0,1,1,0|1,0,0]=3 3453 B13R1.1711 C[C@@H](CO)CSC1CCCCCC1 62a_100000059175_100011217769 [0,0,0,1,1,0|1,1,0]=4 3454 B13R1.1711 C[C@@H](CO)CSC1CCCCCC1 62a_100011217769_100000059175 [0,0,0,1,1,0|1,1,0]=4 3455 B13R1.1711 C[C@H](CO)NCC1CCCCCC1 2230a_100000737577_200000696569 [0,0,0,1,1,0|2,0,0]=4 3456 B13R1.1711 C[C@H](CO)NCC1CCCCCC1 269862a_100000737577_200000763224 [0,0,0,1,1,0|2,0,0]=4 3457 B13R1.1711 C[C@H](CO)SCC1CCCCCC1 62a_100016084084_200000696569 [0,0,0,1,1,0|1,1,0]=4 3458 B13R1.1711 C[C@H](CO)SCC1CCCCCC1 62a_200000696569_100016084084 [0,0,0,1,1,0|1,1,0]=4 3459 B13R1.1711 ClCC(Cl)COC1CCCCCC1 34a_100000033668_100011217769 [0,0,0,1,1,0|2,0,0]=4 3460 B13R1.1711 NC[C@@H](F)COC1CCCCCC1 34a_100015665980_100011217769 [0,0,0,1,1,0|2,0,0]=4 3461 B13R1.1711 OCC(O)CNC1CCCCCC1 2230a_100000210984_100011219619 [0,0,0,1,1,0|1,0,0]=3 3462 B13R1.1711 OCC(O)CNC1CCCCCC1 34a_100000210984_100011219619 [0,0,0,1,1,0|1,0,0]=3 3463 B13R1.1711 OCC(O)COC1CCCCCC1 34a_100000210887_100011219619 [0,0,0,1,1,0|0,0,0]=2 3464 B13R1.1711 OCC(O)COC1CCCCCC1 7a_100000210887_100011219619 [0,0,0,1,1,0|0,0,0]=2 3465 B13R1.1711 OCC(O)CSC1CCCCCC1 62a_100011217769_100011219619 [0,0,0,1,1,0|0,1,0]=3 3466 B13R1.1711 OCC(O)CSC1CCCCCC1 62a_100011219619_100011217769 [0,0,0,1,1,0|0,1,0]=3 3467 B13R1.1711 OC[C@H](F)CNC1CCCCCC1 270004a_100015665980_100000210131 [0,0,0,1,1,0|2,0,0]=4 3468 B13R1.1711 OC[C@H](F)CNC1CCCCCC1 34a_100015665980_100011217769 [0,0,0,1,1,0|2,0,0]=4 3469 B13R1.1711 OC[C@H](O)CNC1CCCCCC1 2230a_100000210984_100009815848 [0,0,0,1,1,0|1,0,0]=3 3470 B13R1.1711 OC[C@H](O)CNC1CCCCCC1 34a_100000210984_100009815848 [0,0,0,1,1,0|1,0,0]=3 3471 B13R1.1711 OC[C@H](O)COC1CCCCCC1 34a_100000210887_100009815848 [0,0,0,1,1,0|0,0,0]=2 3472 B13R1.1711 OC[C@H](O)COC1CCCCCC1 7a_100000210887_100009815848 [0,0,0,1,1,0|0,0,0]=2 3473 B13R1.1711 OC[C@H](O)CSC1CCCCCC1 62a_100009815848_100011217769 [0,0,0,1,1,0|0,1,0]=3 3474 B13R1.1711 OC[C@H](O)CSC1CCCCCC1 62a_100011217769_100009815848 [0,0,0,1,1,0|0,1,0]=3 3475 B13R1.1711 O[C@@H](CF)CNC1CCCCCC1 2230a_100000210984_100015614560 [0,0,0,1,1,0|2,0,0]=4 3476 B13R1.1711 O[C@@H](CF)CNC1CCCCCC1 34a_100000210984_100015614560 [0,0,0,1,1,0|2,0,0]=4 3477 B13R1.1711 O[C@@H](CF)COC1CCCCCC1 34a_100000210887_100015614560 [0,0,0,1,1,0|1,0,0]=3 3478 B13R1.1711 O[C@@H](CF)COC1CCCCCC1 7a_100000210887_100015614560 [0,0,0,1,1,0|1,0,0]=3 3479 B13R1.1711 O[C@@H](CF)CSC1CCCCCC1 62a_100011217769_100015614560 [0,0,0,1,1,0|1,1,0]=4 3480 B13R1.1711 O[C@@H](CF)CSC1CCCCCC1 62a_100015614560_100011217769 [0,0,0,1,1,0|1,1,0]=4 3481 B13R1.1950 COCCC1(CC1)NCC(O)CO 2230a_100020603293_100011219619 [0,0,0,1,1,0|2,0,0]=4 3482 B13R1.1950 COCCC1(CC1)NCC(O)CO 34a_100020603293_100011219619 [0,0,0,1,1,0|2,0,0]=4 3483 B13R1.1950 COCCC1(CC1)NC[C@@H](O)CO 2230a_100020603293_100009815848 [0,0,0,1,1,0|2,0,0]=4 3484 B13R1.1950 COCCC1(CC1)NC[C@@H](O)CO 34a_100020603293_100009815848 [0,0,0,1,1,0|2,0,0]=4 3485 B13R1.2431 CCC1CCC(N(C1)C(C)CO)C 2230a_100011219223_100012180447 [0,0,0,1,1,0|2,0,0]=4 3486 B13R1.2431 CCC1CCC(N(C1)C(C)CO)C 34a_100011219223_100012180447 [0,0,0,1,1,0|2,0,0]=4 3487 B13R1.2431 CCC1CCC(N(C1)[C@H](C)CO)C 269982a_100011219223_100016084084 [0,0,0,1,1,0|2,0,0]=4 3488 B13R1.2985 CCCCN1CCC(CC1)(C)CO 2230a_100000697876_100000210211 [0,0,0,1,1,0|2,0,0]=4 3489 B13R1.2985 CCCCN1CCC(CC1)(C)CO 269982a_100000697876_100000210211 [0,0,0,1,1,0|2,0,0]=4 3490 B13R1.2985 CCCCN1CCC(CC1)(F)CO 2230a_100016990393_100000210211 [0,0,0,1,1,0|2,0,0]=4 3491 B13R1.2985 CCCCN1CCC(CC1)(F)CO 269982a_100016990393_100000210211 [0,0,0,1,1,0|2,0,0]=4 3492 B13R1.2985 CCCCN1CCC(CC1)(F)CO 34a_100016990393_100000210210 [0,0,0,1,1,0|2,0,0]=4 3493 B13R1.2985 CCCCN1CCC(CC1)(O)CC 2230a_100000763344_100000210211 [0,0,0,1,1,0|2,0,0]=4 3494 B13R1.2985 CCCCN1CCC(CC1)(O)CC 269982a_100000763344_100000210211 [0,0,0,1,1,0|2,0,0]=4 3495 B13R1.2985 CCCCN1CCC(CC1)(O)CO 2230a_100012017390_100000210211 [0,0,0,1,1,0|1,0,0]=3 3496 B13R1.2985 CCCCN1CCC(CC1)(O)CO 269982a_100012017390_100000210211 [0,0,0,1,1,0|1,0,0]=3 3497 B13R1.2985 CCOCN1CCC(CC1)(O)CO 269982a_100012017390_100000739092 [0,0,0,1,1,0|2,0,0]=4 3498 B13R1.2985 COCCN1CCC(CC1)(O)CO 2230a_100012017390_100011201679 [0,0,0,1,1,0|2,0,0]=4 3499 B13R1.2985 COCCN1CCC(CC1)(O)CO 269982a_100012017390_100000233755 [0,0,0,1,1,0|2,0,0]=4 3500 B13R1.2985 CSCCN1CCC(CC1)(O)CO 2230a_100012017390_100000751147 [0,0,0,1,1,0|2,0,0]=4 3501 B13R1.2985 CSCCN1CCC(CC1)(O)CO 269982a_100012017390_100000212216 [0,0,0,1,1,0|2,0,0]=4 3502 B13R1.2985 OCC1(CCN(CC1)CCCF)O 2230a_100012017390_100011934791 [0,0,0,1,1,0|2,0,0]=4 3503 B13R1.2985 OCC1(CCN(CC1)CCCF)O 269982a_100012017390_100011934791 [0,0,0,1,1,0|2,0,0]=4 3504 B13R1.2985 OCCCN1CCC(CC1)(O)CO 2230a_100012017390_100000230001 [0,0,0,1,1,0|2,0,0]=4 3505 B13R1.2985 OCCCN1CCC(CC1)(O)CO 269982a_100012017390_100011215043 [0,0,0,1,1,0|2,0,0]=4 3506 B13R1.4713 C#CC1(CCCC1)OCC(O)CO 34a_100000189447_100011219619 [0,0,0,1,1,0|0,0,2]=4 3507 B13R1.4713 C#CC1(CCCC1)OCC(O)CO 7a_100000189447_100011219619 [0,0,0,1,1,0|0,0,2]=4 3508 B13R1.4713 C#CC1(CCCC1)OC[C@@H](O)CO 34a_100000189447_100009815848 [0,0,0,1,1,0|0,0,2]=4 3509 B13R1.4713 C#CC1(CCCC1)OC[C@@H](O)CO 7a_100000189447_100009815848 [0,0,0,1,1,0|0,0,2]=4 3510 B13R1.4713 C=CC(O)COC1(CCCC1)CC 7a_100000752416_100000730141 [0,0,0,1,1,0|1,0,1]=4 3511 B13R1.4713 CC(CO)OCC1(CCCC1)CN 34a_100000699429_100012180447 [0,0,0,1,1,0|2,0,0]=4 3512 B13R1.4713 CCC(C)COC1(CCCC1)CC 7a_100000752416_100000748023 [0,0,0,1,1,0|2,0,0]=4 3513 B13R1.4713 CCC(O)CNC1(CCCC1)CC 2230a_100015183760_100011218378 [0,0,0,1,1,0|2,0,0]=4 3514 B13R1.4713 CCC(O)COC1(CCCC1)CC 7a_100000752416_100011218378 [0,0,0,1,1,0|1,0,0]=3 3515 B13R1.4713 CCC(O)COC1(CCCC1)CN 34a_100000737848_100011218378 [0,0,0,1,1,0|2,0,0]=4 3516 B13R1.4713 CCC1(CCCC1)NCC(O)CO 2230a_100015183760_100011219619 [0,0,0,1,1,0|1,0,0]=3 3517 B13R1.4713 CCC1(CCCC1)NC[C@@H](C)CO 2230a_100015183760_100000059175 [0,0,0,1,1,0|2,0,0]=4 3518 B13R1.4713 CCC1(CCCC1)NC[C@@H](O)CF 2230a_100015183760_100015614560 [0,0,0,1,1,0|2,0,0]=4 3519 B13R1.4713 CCC1(CCCC1)NC[C@@H](O)CO 2230a_100015183760_100009815848 [0,0,0,1,1,0|1,0,0]=3 3520 B13R1.4713 CCC1(CCCC1)OCC(O)CO 7a_100000752416_100011219619 [0,0,0,1,1,0|0,0,0]=2 3521 B13R1.4713 CCC1(CCCC1)OC[C@@H](C)CO 7a_100000752416_100000059175 [0,0,0,1,1,0|1,0,0]=3 3522 B13R1.4713 CCC1(CCCC1)OC[C@@H](O)CF 7a_100000752416_100015614560 [0,0,0,1,1,0|1,0,0]=3 3523 B13R1.4713 CCC1(CCCC1)OC[C@@H](O)CO 7a_100000752416_100009815848 [0,0,0,1,1,0|0,0,0]=2 3524 B13R1.4713 CC[C@H](C)COC1(CCCC1)CC 7a_100000752416_100009816398 [0,0,0,1,1,0|2,0,0]=4 3525 B13R1.4713 C[C@@H](CO)COC1(CCCC1)CN 34a_100000737848_100000059175 [0,0,0,1,1,0|2,0,0]=4 3526 B13R1.4713 N#CC1(CCCC1)OCC(O)CO 34a_100000744759_100011219619 [0,0,0,1,1,0|1,0,1]=4 3527 B13R1.4713 N#CC1(CCCC1)OCC(O)CO 7a_100000744759_100011219619 [0,0,0,1,1,0|1,0,1]=4 3528 B13R1.4713 N#CC1(CCCC1)OC[C@@H](O)CO 34a_100000744759_100009815848 [0,0,0,1,1,0|1,0,1]=4 3529 B13R1.4713 N#CC1(CCCC1)OC[C@@H](O)CO 7a_100000744759_100009815848 [0,0,0,1,1,0|1,0,1]=4 3530 B13R1.4713 NCC1(CCCC1)OCC(O)CO 34a_100000737848_100011219619 [0,0,0,1,1,0|1,0,0]=3 3531 B13R1.4713 NCC1(CCCC1)OC[C@@H](O)CF 34a_100000737848_100015614560 [0,0,0,1,1,0|2,0,0]=4 3532 B13R1.4713 NCC1(CCCC1)OC[C@@H](O)CO 34a_100000737848_100009815848 [0,0,0,1,1,0|1,0,0]=3 3533 B13R1.4713 OCC(O)CNC1(CCCC1)CO 2230a_100000749328_100011219619 [0,0,0,1,1,0|2,0,0]=4 3534 B13R1.4713 OCC(O)CNC1(CCCC1)CO 34a_100000749328_100011219619 [0,0,0,1,1,0|2,0,0]=4 3535 B13R1.4713 OC[C@H](O)CNC1(CCCC1)CO 2230a_100000749328_100009815848 [0,0,0,1,1,0|2,0,0]=4 3536 B13R1.4713 OC[C@H](O)CNC1(CCCC1)CO 34a_100000749328_100009815848 [0,0,0,1,1,0|2,0,0]=4 3537 B13R1.5913 CCCCC(CC)N1C[C@@H]([C@@H]1C)O 269982a_206633788156_200011216223 [0,0,0,1,1,0|2,0,0]=4 3538 B13R1.5913 CCCCC(CC)N1C[C@@H]([C@@H]1C)O 270004a_206633788156_100000753412 [0,0,0,1,1,0|2,0,0]=4 3539 B13R1.5915 CCCCC(CC)N1CC(C1)CO 269982a_100016987283_200011216223 [0,0,0,1,1,0|2,0,0]=4 3540 B13R1.5915 CCCCC(CC)N1CC(C1)CO 34a_100016987283_200011216223 [0,0,0,1,1,0|2,0,0]=4 3541 B13R1.5915 CCCCN(CC)C1CC(C1)CO 269982a_100000207695_100009874164 [0,0,0,1,1,0|2,0,0]=4 3542 B13R1.5915 CCCCN(CC)C1CC(C1)CO 270004a_100000207695_100000101936 [0,0,0,1,1,0|2,0,0]=4 3543 B13R1.6290 CCCCC(CC)COC1(CC1)C 7a_100011725673_100000211942 [0,0,0,1,1,0|2,0,0]=4 3544 B13R1.6290 CCCCC(CC)NCC1(CC1)O 270004a_100011936951_100000753412 [0,0,0,1,1,0|2,0,0]=4 3545 B13R1.6290 CCCCC(CC)OCC1(CC1)C 7a_100000698024_200011216223 [0,0,0,1,1,0|2,0,0]=4 3546 B13R1.6290 CCCCC(CC)OCC1(CC1)F 34a_200000703853_200011216223 [0,0,0,1,1,0|2,0,0]=4 3547 B13R1.6290 CCCCC(CC)OCC1(CC1)F 7a_200000703853_200011216223 [0,0,0,1,1,0|2,0,0]=4 3548 B13R1.6290 CCCCC(CC)OCC1(CO1)C 34a_100011215227_100000760498 [0,0,0,1,1,0|1,0,0]=3 3549 B13R1.6290 CCCCC(CC)SCC1(CO1)C 62a_100000760498_200011216223 [0,0,0,1,1,0|1,1,0]=4 3550 B13R1.6290 CCCCC(CC)SCC1(CO1)C 62a_200011216223_100000760498 [0,0,0,1,1,0|1,1,0]=4 3551 B15R1.26 CCC(O)COCCC1CCC(CC1)N 34a_100000070672_100011218378 [0,0,0,1,0,1|2,0,0]=4 3552 B15R1.26 C[C@@H](CO)COCCC1CCC(CC1)N 34a_100000070672_100000059175 [0,0,0,1,0,1|2,0,0]=4 3553 B15R1.26 NC1CCC(CC1)CCOCC(O)CO 34a_100000070672_100011219619 [0,0,0,1,0,1|1,0,0]=3 3554 B15R1.26 NC1CCC(CC1)CCOC[C@@H](O)CF 34a_100000070672_100015614560 [0,0,0,1,0,1|2,0,0]=4 3555 B15R1.26 NC1CCC(CC1)CCOC[C@@H](O)CO 34a_100000070672_100009815848 [0,0,0,1,0,1|1,0,0]=3 3556 B15R1.26 OCC(O)CNCCC1CCC(CC1)O 34a_200011935226_100011219619 [0,0,0,1,0,1|2,0,0]=4 3557 B15R1.26 OC[C@H](O)CNCCC1CCC(CC1)O 34a_200011935226_100009815848 [0,0,0,1,0,1|2,0,0]=4 3558 B15R1.85 CCC(O)COCC1CCCCN1CC 34a_100000225091_100011218378 [0,0,0,1,0,1|2,0,0]=4 3559 B15R1.85 CCC(O)COCC1CCCCN1CC 7a_100000225091_100011218378 [0,0,0,1,0,1|2,0,0]=4 3560 B15R1.85 CCC1CCCCC1NCCC(C)CO 269862a_106354213184_100000757040 [0,0,0,1,0,1|2,0,0]=4 3561 B15R1.85 CCC1CCCCC1NCCC(C)CO 270004a_106354213184_100000757040 [0,0,0,1,0,1|2,0,0]=4 3562 B15R1.85 CCN1CCCCC1CNCC(O)CO 2230a_100000754393_100011219619 [0,0,0,1,0,1|2,0,0]=4 3563 B15R1.85 CCN1CCCCC1CNCC(O)CO 34a_100000754393_100011219619 [0,0,0,1,0,1|2,0,0]=4 3564 B15R1.85 CCN1CCCCC1CNC[C@@H](O)CO 2230a_100000754393_100009815848 [0,0,0,1,0,1|2,0,0]=4 3565 B15R1.85 CCN1CCCCC1CNC[C@@H](O)CO 34a_100000754393_100009815848 [0,0,0,1,0,1|2,0,0]=4 3566 B15R1.85 CCN1CCCCC1COCC(O)CO 34a_100000225091_100011219619 [0,0,0,1,0,1|1,0,0]=3 3567 B15R1.85 CCN1CCCCC1COCC(O)CO 7a_100000225091_100011219619 [0,0,0,1,0,1|1,0,0]=3 3568 B15R1.85 CCN1CCCCC1COC[C@@H](C)CO 34a_100000225091_100000059175 [0,0,0,1,0,1|2,0,0]=4 3569 B15R1.85 CCN1CCCCC1COC[C@@H](C)CO 7a_100000225091_100000059175 [0,0,0,1,0,1|2,0,0]=4 3570 B15R1.85 CCN1CCCCC1COC[C@@H](O)CF 34a_100000225091_100015614560 [0,0,0,1,0,1|2,0,0]=4 3571 B15R1.85 CCN1CCCCC1COC[C@@H](O)CF 7a_100000225091_100015614560 [0,0,0,1,0,1|2,0,0]=4 3572 B15R1.85 CCN1CCCCC1COC[C@@H](O)CO 34a_100000225091_100009815848 [0,0,0,1,0,1|1,0,0]=3 3573 B15R1.85 CCN1CCCCC1COC[C@@H](O)CO 7a_100000225091_100009815848 [0,0,0,1,0,1|1,0,0]=3 3574 B15R1.104 CCCCC1CCC(CC1)NC(C)CO 2230a_100000745173_100012180447 [0,0,0,1,0,1|2,0,0]=4 3575 B15R1.104 CCCCC1CCC(CC1)NC(C)CO 34a_100000745173_100012180447 [0,0,0,1,0,1|2,0,0]=4 3576 B15R1.104 CCCCC1CCC(CC1)OC(C)CO 34a_200000035503_100012180447 [0,0,0,1,0,1|2,0,0]=4 3577 B15R1.104 CCCCC1CCC(CC1)OC(C)CO 7a_200000035503_100012180447 [0,0,0,1,0,1|2,0,0]=4 3578 B15R1.104 CCCCC1CCN(CC1)CC(O)CC 2230a_200016987432_100011218378 [0,0,0,1,0,1|2,0,0]=4 3579 B15R1.104 CCCCC1CCN(CC1)CC(O)CC 269982a_200016987432_100011218378 [0,0,0,1,0,1|2,0,0]=4 3580 B15R1.104 CCCCC1CCN(CC1)CC(O)CC 34a_200016987432_100011218378 [0,0,0,1,0,1|2,0,0]=4 3581 B15R1.104 CCCCC1CCN(CC1)CC(O)CO 2230a_200016987432_100011219619 [0,0,0,1,0,1|1,0,0]=3 3582 B15R1.104 CCCCC1CCN(CC1)CC(O)CO 34a_200016987432_100011219619 [0,0,0,1,0,1|1,0,0]=3 3583 B15R1.104 CCCCC1CCN(CC1)C[C@@H](C)CO 2230a_200016987432_100000059175 [0,0,0,1,0,1|2,0,0]=4 3584 B15R1.104 CCCCC1CCN(CC1)C[C@@H](C)CO 269982a_200016987432_100000059175 [0,0,0,1,0,1|2,0,0]=4 3585 B15R1.104 CCCCC1CCN(CC1)C[C@@H](C)CO 34a_200016987432_100000059175 [0,0,0,1,0,1|2,0,0]=4 3586 B15R1.104 CCCCC1CCN(CC1)C[C@@H](O)CF 2230a_200016987432_100015614560 [0,0,0,1,0,1|2,0,0]=4 3587 B15R1.104 CCCCC1CCN(CC1)C[C@@H](O)CF 34a_200016987432_100015614560 [0,0,0,1,0,1|2,0,0]=4 3588 B15R1.104 CCCCC1CCN(CC1)C[C@@H](O)CO 2230a_200016987432_100009815848 [0,0,0,1,0,1|1,0,0]=3 3589 B15R1.104 CCCCC1CCN(CC1)C[C@@H](O)CO 34a_200016987432_100009815848 [0,0,0,1,0,1|1,0,0]=3 3590 B15R1.104 CCCCN1CCN(CC1)CC(O)CO 2230a_100011194250_100011219619 [0,0,0,1,0,1|2,0,0]=4 3591 B15R1.104 CCCCN1CCN(CC1)C[C@@H](O)CO 2230a_100011194250_100009815848 [0,0,0,1,0,1|2,0,0]=4 3592 B15R1.104 CCCOC1CCN(CC1)CC(O)CO 2230a_100020629755_100011219619 [0,0,0,1,0,1|2,0,0]=4 3593 B15R1.104 CCCOC1CCN(CC1)CC(O)CO 34a_100020629755_100011219619 [0,0,0,1,0,1|2,0,0]=4 3594 B15R1.104 CCCOC1CCN(CC1)C[C@@H](O)CO 2230a_100020629755_100009815848 [0,0,0,1,0,1|2,0,0]=4 3595 B15R1.104 CCCOC1CCN(CC1)C[C@@H](O)CO 34a_100020629755_100009815848 [0,0,0,1,0,1|2,0,0]=4 3596 B15R1.104 CCOCC1CCN(CC1)CC(O)CO 2230a_100000755292_100011219619 [0,0,0,1,0,1|2,0,0]=4 3597 B15R1.104 CCOCC1CCN(CC1)CC(O)CO 34a_100000755292_100011219619 [0,0,0,1,0,1|2,0,0]=4 3598 B15R1.104 CCOCC1CCN(CC1)C[C@@H](O)CO 2230a_100000755292_100009815848 [0,0,0,1,0,1|2,0,0]=4 3599 B15R1.104 CCOCC1CCN(CC1)C[C@@H](O)CO 34a_100000755292_100009815848 [0,0,0,1,0,1|2,0,0]=4 3600 B15R1.104 COCCC1CCN(CC1)CC(O)CO 2230a_100011255180_100011219619 [0,0,0,1,0,1|2,0,0]=4 3601 B15R1.104 COCCC1CCN(CC1)CC(O)CO 34a_100011255180_100011219619 [0,0,0,1,0,1|2,0,0]=4 3602 B15R1.104 COCCC1CCN(CC1)C[C@@H](O)CO 2230a_100011255180_100009815848 [0,0,0,1,0,1|2,0,0]=4 3603 B15R1.104 COCCC1CCN(CC1)C[C@@H](O)CO 34a_100011255180_100009815848 [0,0,0,1,0,1|2,0,0]=4 3604 B15R1.104 OCCCC1CCN(CC1)CC(O)CO 2230a_100016988962_100011219619 [0,0,0,1,0,1|2,0,0]=4 3605 B15R1.104 OCCCC1CCN(CC1)CC(O)CO 34a_100016988962_100011219619 [0,0,0,1,0,1|2,0,0]=4 3606 B15R1.104 OCCCC1CCN(CC1)C[C@@H](O)CO 2230a_100016988962_100009815848 [0,0,0,1,0,1|2,0,0]=4 3607 B15R1.104 OCCCC1CCN(CC1)C[C@@H](O)CO 34a_100016988962_100009815848 [0,0,0,1,0,1|2,0,0]=4 3608 B15R1.564 CCCCC(CC)CN1CCC(CC1)O 2230a_100025773856_100000211942 [0,0,0,1,0,1|2,0,0]=4 3609 B15R1.564 CCCCC(CC)CN1CCC(CC1)O 269982a_100025773856_100000211942 [0,0,0,1,0,1|2,0,0]=4 3610 B15R1.564 CCCCC(CC)CN1CCC(CC1)O 270004a_100025773856_100011219736 [0,0,0,1,0,1|2,0,0]=4 3611 B15R1.564 CCCCC(CC)N[C@H]1CC[C@H](CC1)O 270004a_100020628982_100000753412 [0,0,0,1,0,1|2,0,0]=4 3612 B15R1.1091 CC1CCCCN1CCNCC(O)CO 2230a_100000739827_100011219619 [0,0,0,1,0,1|2,0,0]=4 3613 B15R1.1091 CC1CCCCN1CCNCC(O)CO 34a_100000739827_100011219619 [0,0,0,1,0,1|2,0,0]=4 3614 B15R1.1091 CC1CCCCN1CCNC[C@@H](O)CO 2230a_100000739827_100009815848 [0,0,0,1,0,1|2,0,0]=4 3615 B15R1.1091 CC1CCCCN1CCNC[C@@H](O)CO 34a_100000739827_100009815848 [0,0,0,1,0,1|2,0,0]=4 3616 B15R1.1091 CC1CCCCN1CCOCC(O)CO 34a_100011305533_100011219619 [0,0,0,1,0,1|1,0,0]=3 3617 B15R1.1091 CC1CCCCN1CCOC[C@@H](C)CO 34a_100011305533_100000059175 [0,0,0,1,0,1|2,0,0]=4 3618 B15R1.1091 CC1CCCCN1CCOC[C@@H](O)CF 34a_100011305533_100015614560 [0,0,0,1,0,1|2,0,0]=4 3619 B15R1.1091 CC1CCCCN1CCOC[C@@H](O)CO 34a_100011305533_100009815848 [0,0,0,1,0,1|1,0,0]=3 3620 B15R1.1091 CCC(O)COCCN1CCCCC1C 34a_100011305533_100011218378 [0,0,0,1,0,1|2,0,0]=4 3621 B15R1.1091 CN1CCCCC1CCNC[C@H](O)CO 2230a_100020644852_100000211948 [0,0,0,1,0,1|2,0,0]=4 3622 B15R1.1091 CN1CCCCC1CCSCC(O)CO 62a_100000211948_100011219619 [0,0,0,1,0,1|1,1,0]=4 3623 B15R1.1091 CN1CCCCC1CCSCC(O)CO 62a_100011219619_100000211948 [0,0,0,1,0,1|1,1,0]=4 3624 B15R1.1091 CN1CCCCC1CCSC[C@@H](O)CO 62a_100000211948_100009815848 [0,0,0,1,0,1|1,1,0]=4 3625 B15R1.1091 CN1CCCCC1CCSC[C@@H](O)CO 62a_100009815848_100000211948 [0,0,0,1,0,1|1,1,0]=4 3626 B15R1.3484 CCCCC(CC)COCCC1COC1 34a_100009855314_100000211942 [0,0,0,1,0,1|1,0,0]=3 3627 B15R1.3498 CCCCC(CC)N1CCCC(C1)CO 269982a_100000211344_200011216223 [0,0,0,1,0,1|2,0,0]=4 3628 B15R1.3498 CCCCC(CC)N1CCCC(C1)CO 270004a_100000211344_100000753412 [0,0,0,1,0,1|2,0,0]=4 3629 B15R1.3498 CCCCC(CC)N1CCCC(C1)CO 34a_100000211344_200011216223 [0,0,0,1,0,1|2,0,0]=4 3630 B15R1.3507 CCCCC(CC)N1CCC[C@@]1(C)CO 269982a_100016195882_200011216223 [0,0,0,1,0,1|2,0,0]=4 3631 B15R1.3507 CCCCC(CC)N1CCC[C@@]1(C)CO 270004a_100016195882_100000753412 [0,0,0,1,0,1|2,0,0]=4 3632 B15R1.3507 CCCCC(CC)N1CCC[C@@]1(C)CO 34a_100016195882_200011216223 [0,0,0,1,0,1|2,0,0]=4 3633 B15R1.3920 CCCCC(CC)CNC1CCC(C1)O 270004a_100000209976_100012614533 [0,0,0,1,0,1|2,0,0]=4 3634 B15R1.3920 CCCCC(CC)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000211942 [0,0,0,1,0,1|2,0,0]=4 3635 B15R1.3920 CCCCC(CC)CN[C@H]1CC[C@H](C1)O 269862a_100015195300_100011219736 [0,0,0,1,0,1|2,0,0]=4 3636 B15R1.3920 CCCCC(CC)CN[C@H]1CC[C@H](C1)O 270004a_100015195300_100011219736 [0,0,0,1,0,1|2,0,0]=4 3637 B15R1.3920 CCCCC(CC)COC1CCC(C1)C 34a_100000698185_100000211942 [0,0,0,1,0,1|2,0,0]=4 3638 B15R1.9441 CCCCC(CC)CN1CCC(C1)CO 2230a_100000748654_100000211942 [0,0,0,1,0,1|2,0,0]=4 3639 B15R1.9441 CCCCC(CC)CN1CCC(C1)CO 269982a_100000748654_100000211942 [0,0,0,1,0,1|2,0,0]=4 3640 B15R1.9441 CCCCC(CC)CN1CCC(C1)CO 270004a_100000748654_100011219736 [0,0,0,1,0,1|2,0,0]=4 3641 B15R1.9441 CCCCC(CC)CN1CCC(C1)CO 34a_100000748654_100000211942 [0,0,0,1,0,1|2,0,0]=4 3642 B15R1.12309 CC(CO)CCNCC1CCCCCC1 2230a_106354213184_200000696569 [0,0,0,1,0,1|2,0,0]=4 3643 B15R1.12309 CC(CO)CCNCC1CCCCCC1 269862a_106354213184_200000763224 [0,0,0,1,0,1|2,0,0]=4 3644 B15R1.12309 CC(CO)CCNCC1CCCCCC1 34a_106354213184_200000696569 [0,0,0,1,0,1|2,0,0]=4 3645 B15R1.12309 CCC(C)CCOCC1CCCCCC1 7a_100011215188_200000696569 [0,0,0,1,0,1|2,0,0]=4 3646 B15R1.12309 CCC(O)CNCCC1CCCCCC1 2230a_100011532351_100011218378 [0,0,0,1,0,1|2,0,0]=4 3647 B15R1.12309 CCC(O)CNCCC1CCCCCC1 34a_100011532351_100011218378 [0,0,0,1,0,1|2,0,0]=4 3648 B15R1.12309 CCC(O)COCCN1CCCCCC1 34a_100000238007_100011218378 [0,0,0,1,0,1|2,0,0]=4 3649 B15R1.12309 C[C@@H](CO)CNCCC1CCCCCC1 2230a_100011532351_100000059175 [0,0,0,1,0,1|2,0,0]=4 3650 B15R1.12309 C[C@@H](CO)CNCCC1CCCCCC1 34a_100011532351_100000059175 [0,0,0,1,0,1|2,0,0]=4 3651 B15R1.12309 C[C@@H](CO)COCCN1CCCCCC1 34a_100000238007_100000059175 [0,0,0,1,0,1|2,0,0]=4 3652 B15R1.12309 OCC(O)CNCCC1CCCCCC1 2230a_100011532351_100011219619 [0,0,0,1,0,1|1,0,0]=3 3653 B15R1.12309 OCC(O)CNCCC1CCCCCC1 34a_100011532351_100011219619 [0,0,0,1,0,1|1,0,0]=3 3654 B15R1.12309 OCC(O)COCCN1CCCCCC1 34a_100000238007_100011219619 [0,0,0,1,0,1|1,0,0]=3 3655 B15R1.12309 OCC(O)CSCCN1CCCCCC1 62a_100000722644_100011219619 [0,0,0,1,0,1|1,1,0]=4 3656 B15R1.12309 OCC(O)CSCCN1CCCCCC1 62a_100011219619_100000722644 [0,0,0,1,0,1|1,1,0]=4 3657 B15R1.12309 OC[C@H](O)CNCCC1CCCCCC1 2230a_100011532351_100009815848 [0,0,0,1,0,1|1,0,0]=3 3658 B15R1.12309 OC[C@H](O)CNCCC1CCCCCC1 34a_100011532351_100009815848 [0,0,0,1,0,1|1,0,0]=3 3659 B15R1.12309 OC[C@H](O)COCCN1CCCCCC1 34a_100000238007_100009815848 [0,0,0,1,0,1|1,0,0]=3 3660 B15R1.12309 OC[C@H](O)CSCCN1CCCCCC1 62a_100000722644_100009815848 [0,0,0,1,0,1|1,1,0]=4 3661 B15R1.12309 OC[C@H](O)CSCCN1CCCCCC1 62a_100009815848_100000722644 [0,0,0,1,0,1|1,1,0]=4 3662 B15R1.12309 O[C@@H](CF)CNCCC1CCCCCC1 2230a_100011532351_100015614560 [0,0,0,1,0,1|2,0,0]=4 3663 B15R1.12309 O[C@@H](CF)CNCCC1CCCCCC1 34a_100011532351_100015614560 [0,0,0,1,0,1|2,0,0]=4 3664 B15R1.12309 O[C@@H](CF)COCCN1CCCCCC1 34a_100000238007_100015614560 [0,0,0,1,0,1|2,0,0]=4 3665 B15R1.15175 CCCCC(CC)N1CCCC(CC1)O 269982a_100015186869_200011216223 [0,0,0,1,0,1|2,0,0]=4 3666 B15R1.15175 CCCCC(CC)N1CCCC(CC1)O 270004a_100015186869_100000753412 [0,0,0,1,0,1|2,0,0]=4 3667 B15R1.15199 CCCCC(CC)CNC1CC(C1)CO 269862a_100000095622_100011219736 [0,0,0,1,0,1|2,0,0]=4 3668 B15R1.15199 CCCCC(CC)CNC1CC(C1)CO 270004a_100000095622_100011219736 [0,0,0,1,0,1|2,0,0]=4 3669 B15R1.15199 CCCCC(CC)CNC1CC(C1)CO 270004a_100000209976_100000101936 [0,0,0,1,0,1|2,0,0]=4 3670 B15R1.15199 CCCCC(CC)CSC1CC(C1)CO 62a_100000211942_100009874164 [0,0,0,1,0,1|1,1,0]=4 3671 B15R1.15199 CCCCC(CC)CSC1CC(C1)CO 62a_100009874164_100000211942 [0,0,0,1,0,1|1,1,0]=4 3672 B15R1.87 CCC1CCCCC1NCC(O)C(C)C 269862a_100000759067_100000757040 [0,1,0,1,0,0|2,0,0]=4 3673 B15R1.87 CCC1CCCCC1NCC(O)C(C)C 270004a_100000759067_100000757040 [0,1,0,1,0,0|2,0,0]=4 3674 B15R1.3504 CCCCC(CC)N1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200011216223 [0,1,0,1,0,0|2,0,0]=4 3675 B15R1.3504 CCCCC(CC)N1CC[C@H]([C@H](C1)O)O 270004a_100000690696_100000753412 [0,1,0,1,0,0|2,0,0]=4 3676 B15R1.9443 CCCCC(CC)CN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000211942 [0,1,0,1,0,0|2,0,0]=4 3677 B15R1.9443 CCCCC(CC)CN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000211942 [0,1,0,1,0,0|2,0,0]=4 3678 B15R1.9443 CCCCC(CC)CN1C[C@@H]([C@H](C1)F)O 270004a_100020590056_100011219736 [0,1,0,1,0,0|2,0,0]=4 3679 B15R1.9443 CCCCC(CC)CN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000211942 [0,1,0,1,0,0|2,0,0]=4 3680 B15R1.9443 CCCCC(CC)CN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000211942 [0,1,0,1,0,0|2,0,0]=4 3681 B15R1.9443 CCCCC(CC)CN1C[C@H]([C@H](C1)O)C 270004a_200015306588_100011219736 [0,1,0,1,0,0|2,0,0]=4 3682 B15R1.9443 CCCCC(CC)CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000211942 [0,1,0,1,0,0|1,0,0]=3 3683 B15R1.9443 CCCCC(CC)CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000211942 [0,1,0,1,0,0|1,0,0]=3 3684 B15R1.9443 CCCCC(CC)CN1C[C@H]([C@H](C1)O)O 270004a_100015207562_100011219736 [0,1,0,1,0,0|1,0,0]=3 3685 B15R1.15209 CCCCC(CC)CNCC(O)C1CC1 2230a_100000751198_100000211942 [0,1,0,1,0,0|2,0,0]=4 3686 B15R1.15209 CCCCC(CC)CNCC(O)C1CC1 270004a_100000751198_100011219736 [0,1,0,1,0,0|2,0,0]=4 3687 B15R1.15209 CCCCC(CC)CNCC(O)C1CC1 34a_100000751198_100000211942 [0,1,0,1,0,0|2,0,0]=4 3688 B15R1.15209 CCCCC(CC)COC[C@H](N)C1CC1 34a_100020623730_100000211942 [0,1,0,1,0,0|2,0,0]=4 3689 B15R1.15940 CC(C)C(O)CNCC1CCCCCC1 2230a_100000759067_200000696569 [0,1,0,1,0,0|2,0,0]=4 3690 B15R1.15940 CC(C)C(O)CNCC1CCCCCC1 269862a_100000759067_200000763224 [0,1,0,1,0,0|2,0,0]=4 3691 B15R1.15940 CC(C)C(O)CNCC1CCCCCC1 34a_100000759067_200000696569 [0,1,0,1,0,0|2,0,0]=4 3692 B15R1.15940 CC(C)[C@@H](N)COCC1CCCCCC1 34a_100011830312_200000696569 [0,1,0,1,0,0|2,0,0]=4 3693 B15R1.32741 CCCCC(CC)COCC1CC1(C)C 34a_100000728257_100000211942 [0,1,0,1,0,0|2,0,0]=4 3694 B15R1.32741 CCCCC(CC)COCC1CC1(C)C 7a_100000728257_100000211942 [0,1,0,1,0,0|2,0,0]=4 3695 B15R1.32741 CCCCC(CC)COCC1CC1(F)F 34a_100000056500_100000211942 [0,1,0,1,0,0|2,0,0]=4 3696 B15R1.32741 CCCCC(CC)COCC1CC1(F)F 34a_100000210273_100009817841 [0,1,0,1,0,0|2,0,0]=4 3697 B15R1.32741 CCCCC(CC)COCC1CC1(F)F 7a_100000056500_100000211942 [0,1,0,1,0,0|2,0,0]=4 3698 B15R1.32741 CCCCC(CC)COCC1CC1(F)F 7a_100000210273_100009817841 [0,1,0,1,0,0|2,0,0]=4 3699 B15R1.32741 CCCCC(CC)COCC1OC1(C)C 34a_200010283642_100000211942 [0,1,0,1,0,0|1,0,0]=3 3700 B15R1.32741 CCCCC(CC)COCC1OC1(C)C 7a_200010283642_100000211942 [0,1,0,1,0,0|1,0,0]=3 3701 B15R1.565 CCCCC(CC)CN1CCCC(C1)O 2230a_100000211013_100000211942 [0,1,0,1,0,0|2,0,0]=4 3702 B15R1.565 CCCCC(CC)CN1CCCC(C1)O 269982a_100000211013_100000211942 [0,1,0,1,0,0|2,0,0]=4 3703 B15R1.565 CCCCC(CC)CN1CCCC(C1)O 270004a_100000211013_100011219736 [0,1,0,1,0,0|2,0,0]=4 3704 B15R1.565 CCCCC(CC)CN1CCOC(C1)O 2230a_100000688207_100000211942 [0,1,0,1,0,0|2,0,0]=4 3705 B15R1.565 CCCCC(CC)CN1CCOC(C1)O 269982a_100000688207_100000211942 [0,1,0,1,0,0|2,0,0]=4 3706 B15R1.565 CCCCC(CC)CN1CCOC(C1)O 270004a_100000688207_100011219736 [0,1,0,1,0,0|2,0,0]=4 3707 B15R1.762 CN(CC(O)CO)CC1CCCCN1C 2230a_100015185953_100011219619 [0,1,0,1,0,0|2,0,0]=4 3708 B15R1.762 CN(CC(O)CO)CC1CCCCN1C 269982a_100011216503_100015185383 [0,1,0,1,0,0|2,0,0]=4 3709 B15R1.762 CN(CC1CCCCN1C)C[C@@H](O)CO 2230a_100015185953_100009815848 [0,1,0,1,0,0|2,0,0]=4 3710 B15R1.981 CC1CCC(CC1)CC(=O)C[C@@H](C)CO 1458a_100011215564_100000059175 [0,1,0,1,0,0|2,0,0]=4 3711 B15R1.981 CCC(O)CC(=O)CC1CCC(CC1)C 1458a_100011215564_100011218378 [0,1,0,1,0,0|2,0,0]=4 3712 B15R1.981 CN1CCC(CC1)CN(C)CC(O)CO 2230a_100000751948_100011219619 [0,1,0,1,0,0|2,0,0]=4 3713 B15R1.981 CN1CCC(CC1)CN(C)CC(O)CO 269982a_100011216503_100015183002 [0,1,0,1,0,0|2,0,0]=4 3714 B15R1.981 CN1CCC(CC1)CN(C)C[C@@H](O)CO 2230a_100000751948_100009815848 [0,1,0,1,0,0|2,0,0]=4 3715 B15R1.1038 CCCOC1CCCN(C1)CC(O)CO 2230a_100000743837_100011219619 [0,1,0,1,0,0|2,0,0]=4 3716 B15R1.1038 CCCOC1CCCN(C1)CC(O)CO 34a_100000743837_100011219619 [0,1,0,1,0,0|2,0,0]=4 3717 B15R1.1038 CCCOC1CCCN(C1)C[C@@H](O)CO 2230a_100000743837_100009815848 [0,1,0,1,0,0|2,0,0]=4 3718 B15R1.1038 CCCOC1CCCN(C1)C[C@@H](O)CO 34a_100000743837_100009815848 [0,1,0,1,0,0|2,0,0]=4 3719 B15R1.1038 COCCC1CCCN(C1)CC(O)CO 2230a_100011653411_100011219619 [0,1,0,1,0,0|2,0,0]=4 3720 B15R1.1038 COCCC1CCCN(C1)CC(O)CO 34a_100011653411_100011219619 [0,1,0,1,0,0|2,0,0]=4 3721 B15R1.1038 COCCC1CCCN(C1)C[C@@H](O)CO 2230a_100011653411_100009815848 [0,1,0,1,0,0|2,0,0]=4 3722 B15R1.1038 COCCC1CCCN(C1)C[C@@H](O)CO 34a_100011653411_100009815848 [0,1,0,1,0,0|2,0,0]=4 3723 B15R1.1038 OCCCC1CCCN(C1)CC(O)CO 2230a_100150707839_100011219619 [0,1,0,1,0,0|2,0,0]=4 3724 B15R1.1038 OCCCC1CCCN(C1)CC(O)CO 34a_100150707839_100011219619 [0,1,0,1,0,0|2,0,0]=4 3725 B15R1.1038 OCCCC1CCCN(C1)C[C@@H](O)CO 2230a_100150707839_100009815848 [0,1,0,1,0,0|2,0,0]=4 3726 B15R1.1038 OCCCC1CCCN(C1)C[C@@H](O)CO 34a_100150707839_100009815848 [0,1,0,1,0,0|2,0,0]=4 3727 B15R1.4090 CCN1CCC(C1)CN(C)CC(O)CO 2230a_100011216503_100015184589 [0,1,0,1,0,0|2,0,0]=4 3728 B15R1.4090 CCN1CCC(C1)CN(C)CC(O)CO 2230a_100011360866_100011219619 [0,1,0,1,0,0|2,0,0]=4 3729 B15R1.4090 CCN1CCC(C1)CN(C)CC(O)CO 269982a_100011216503_100015184589 [0,1,0,1,0,0|2,0,0]=4 3730 B15R1.4090 CCN1CCC(C1)CN(C)C[C@@H](O)CO 2230a_100011360866_100009815848 [0,1,0,1,0,0|2,0,0]=4 3731 B15R1.10302 CCC(O)CC(=O)CC1CCCCCC1 1458a_100000685095_100011218378 [0,1,0,1,0,0|2,0,0]=4 3732 B15R1.10302 CCC(O)CC(=O)CC1CCCCCC1 1458a_100011667805_200000696569 [0,1,0,1,0,0|2,0,0]=4 3733 B15R1.10302 CN(CC(O)CO)CC1CCCCCC1 2230a_100011216503_200000696569 [0,1,0,1,0,0|1,0,0]=3 3734 B15R1.10302 CN(CC(O)CO)CC1CCCCCC1 269982a_100011216503_200000696569 [0,1,0,1,0,0|1,0,0]=3 3735 B15R1.10302 C[C@@H](CO)CC(=O)CC1CCCCCC1 1458a_100000685095_100000059175 [0,1,0,1,0,0|2,0,0]=4 3736 B15R1.11880 CCCCC(CC)CC(=O)CC1COC1 1458a_100000687760_100000211942 [0,1,0,1,0,0|2,0,0]=4 3737 B15R1.12623 CCC1CCCCC1N(C)CC(O)CO 270004a_100011216503_100000757040 [0,1,0,1,0,0|1,0,0]=3 3738 B15R1.12623 CN(CC(O)CO)C1CCCCC1CO 270004a_100011216503_100009861125 [0,1,0,1,0,0|2,0,0]=4 3739 B15R1.12623 COC1CCCCC1N(C)CC(O)CO 270004a_100011216503_100000740605 [0,1,0,1,0,0|2,0,0]=4 3740 B15R1.36397 CN(CC(O)CO)CC1(CCCC1)CO 2230a_100011935018_100011219619 [0,1,0,1,0,0|2,0,0]=4 3741 B15R1.36397 CN(C[C@@H](O)CO)CC1(CCCC1)CO 2230a_100011935018_100009815848 [0,1,0,1,0,0|2,0,0]=4 3742 B15R1.48717 CCCCC(CC)CN1CC(C1)(C)CO 2230a_100015203900_100000211942 [0,1,0,1,0,0|2,0,0]=4 3743 B15R1.48717 CCCCC(CC)CN1CC(C1)(C)CO 269982a_100015203900_100000211942 [0,1,0,1,0,0|2,0,0]=4 3744 B15R1.48717 CCCCC(CC)CN1CC(C1)(C)CO 270004a_100015203900_100011219736 [0,1,0,1,0,0|2,0,0]=4 3745 B15R1.48717 CCCCC(CC)CN1CC(C1)(O)CC 2230a_100015191684_100000211942 [0,1,0,1,0,0|2,0,0]=4 3746 B15R1.48717 CCCCC(CC)CN1CC(C1)(O)CC 269982a_100015191684_100000211942 [0,1,0,1,0,0|2,0,0]=4 3747 B15R1.1001 CC1CCC(CC1)CNC(=O)C(O)CO 240690a_103436935547_100011215603 [0,1,0,1,0,0|1,0,1]=4 3748 B15R1.1871 CCC1CCC(N(C1)C(=O)C(O)CO)C 240690a_100011219223_100011215603 [0,1,0,1,0,0|1,0,1]=4 3749 B15R1.2792 CCC(C)C(C)OCC1CCCCCC1 7a_100011215189_200000696569 [0,1,0,1,0,0|2,0,0]=4 3750 B15R1.2792 O=C(NCC1CCCCCC1)C(O)CO 240690a_100015204231_100011215603 [0,1,0,1,0,0|1,0,1]=4 3751 B15R1.3480 CCC/C=C(\CC)/COC1COCC1O 34a_200015372368_200000725654 [0,1,0,1,0,0|0,0,2]=4 3752 B15R1.3480 CCC/C=C(\CC)/COC1COCC1O 7a_200015372368_200000725654 [0,1,0,1,0,0|0,0,2]=4 3753 B15R1.3480 CCCCC(CC)CN[C@H]1CCC[C@@H]1O 269862a_100000748460_100011219736 [0,1,0,1,0,0|2,0,0]=4 3754 B15R1.3480 CCCCC(CC)CN[C@H]1CCC[C@@H]1O 270004a_100000748460_100011219736 [0,1,0,1,0,0|2,0,0]=4 3755 B15R1.3480 CCCCC(CC)CN[C@H]1COC[C@@H]1O 2230a_100015191717_100000211942 [0,1,0,1,0,0|1,0,0]=3 3756 B15R1.3480 CCCCC(CC)CN[C@H]1COC[C@@H]1O 269862a_100015191717_100011219736 [0,1,0,1,0,0|1,0,0]=3 3757 B15R1.3480 CCCCC(CC)CN[C@H]1COC[C@@H]1O 270004a_100015191717_100011219736 [0,1,0,1,0,0|1,0,0]=3 3758 B15R1.3480 CCCCC(CC)COC1CCCC1C 34a_100011216460_100000211942 [0,1,0,1,0,0|2,0,0]=4 3759 B15R1.3480 CCCCC(CC)COC1CCCC1C 7a_100011216460_100000211942 [0,1,0,1,0,0|2,0,0]=4 3760 B15R1.3480 CCCCC(CC)COC1COCC1O 34a_100000210273_200000725654 [0,1,0,1,0,0|0,0,0]=2 3761 B15R1.3480 CCCCC(CC)COC1COCC1O 7a_100000210273_200000725654 [0,1,0,1,0,0|0,0,0]=2 3762 B15R1.3480 CCCCC(CC)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000211942 [0,1,0,1,0,0|2,0,0]=4 3763 B15R1.3480 CCCCC(CC)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000211942 [0,1,0,1,0,0|2,0,0]=4 3764 B15R1.3480 CCCCC(CC)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000211942 [0,1,0,1,0,0|2,0,0]=4 3765 B15R1.3480 CCCCC(CC)CO[C@H]1COC[C@@H]1N 34a_100015191717_100000211942 [0,1,0,1,0,0|1,0,0]=3 3766 B15R1.3480 CCCCC(CC)CSC1COCC1O 62a_100000211942_200000725654 [0,1,0,1,0,0|0,1,0]=3 3767 B15R1.3480 CCCCC(CC)CSC1COCC1O 62a_200000725654_100000211942 [0,1,0,1,0,0|0,1,0]=3 3768 B15R1.3480 CCCCC(CC)CS[C@@H]1CCC[C@H]1O 62a_100000211942_200016002552 [0,1,0,1,0,0|1,1,0]=4 3769 B15R1.3480 CCCCC(CC)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000211942 [0,1,0,1,0,0|1,1,0]=4 3770 B15R1.16699 CCCCC(CC)COC(C)C1CCC1 34a_100000766398_100000211942 [0,1,0,1,0,0|2,0,0]=4 3771 B15R1.16699 CCCCC(CC)COC(C)C1CCC1 7a_100000766398_100000211942 [0,1,0,1,0,0|2,0,0]=4 3772 B15R1.273 C=CC(O)COC1CCCCC1CCC 34a_100011217265_100000730141 [0,1,0,1,0,0|1,0,1]=4 3773 B15R1.273 C=CC(O)COC1CCCCC1CCC 7a_100011217265_100000730141 [0,1,0,1,0,0|1,0,1]=4 3774 B15R1.273 C=CCC1CCCCC1NC[C@H](O)CO 269862a_100020644852_100011214939 [0,1,0,1,0,0|1,0,1]=4 3775 B15R1.273 CCCC1CCCCC1NCC(C)CO 269862a_100000744482_100011218038 [0,1,0,1,0,0|2,0,0]=4 3776 B15R1.273 CCCC1CCCCC1NCC(O)CC 269862a_100011218483_100011218038 [0,1,0,1,0,0|2,0,0]=4 3777 B15R1.273 CCCC1CCCCC1NCC(O)CC 270004a_100011218483_100011218038 [0,1,0,1,0,0|2,0,0]=4 3778 B15R1.273 CCCC1CCCCC1NC[C@@H](F)CO 269862a_100015665980_100011218038 [0,1,0,1,0,0|2,0,0]=4 3779 B15R1.273 CCCC1CCCCC1NC[C@@H](F)CO 270004a_100015665980_100011218038 [0,1,0,1,0,0|2,0,0]=4 3780 B15R1.273 CCCC1CCCCC1NC[C@H](O)CO 269862a_100020644852_100011218038 [0,1,0,1,0,0|1,0,0]=3 3781 B15R1.273 CCCC1CCCCC1OCC(C)CC 34a_100011217265_100000748023 [0,1,0,1,0,0|2,0,0]=4 3782 B15R1.273 CCCC1CCCCC1OCC(C)CC 7a_100011217265_100000748023 [0,1,0,1,0,0|2,0,0]=4 3783 B15R1.273 CCCC1CCCCC1OCC(O)CC 34a_100011217265_100011218378 [0,1,0,1,0,0|1,0,0]=3 3784 B15R1.273 CCCC1CCCCC1OCC(O)CC 7a_100011217265_100011218378 [0,1,0,1,0,0|1,0,0]=3 3785 B15R1.273 CCCC1CCCCC1OCC(O)CO 34a_100011217265_100011219619 [0,1,0,1,0,0|0,0,0]=2 3786 B15R1.273 CCCC1CCCCC1OCC(O)CO 7a_100011217265_100011219619 [0,1,0,1,0,0|0,0,0]=2 3787 B15R1.273 CCCC1CCCCC1OC[C@@H](C)CC 34a_100011217265_100009816398 [0,1,0,1,0,0|2,0,0]=4 3788 B15R1.273 CCCC1CCCCC1OC[C@@H](C)CC 7a_100011217265_100009816398 [0,1,0,1,0,0|2,0,0]=4 3789 B15R1.273 CCCC1CCCCC1OC[C@@H](C)CO 34a_100011217265_100000059175 [0,1,0,1,0,0|1,0,0]=3 3790 B15R1.273 CCCC1CCCCC1OC[C@@H](C)CO 7a_100011217265_100000059175 [0,1,0,1,0,0|1,0,0]=3 3791 B15R1.273 CCCC1CCCCC1OC[C@@H](O)CF 34a_100011217265_100015614560 [0,1,0,1,0,0|1,0,0]=3 3792 B15R1.273 CCCC1CCCCC1OC[C@@H](O)CF 7a_100011217265_100015614560 [0,1,0,1,0,0|1,0,0]=3 3793 B15R1.273 CCCC1CCCCC1OC[C@@H](O)CO 34a_100011217265_100009815848 [0,1,0,1,0,0|0,0,0]=2 3794 B15R1.273 CCCC1CCCCC1OC[C@@H](O)CO 7a_100011217265_100009815848 [0,1,0,1,0,0|0,0,0]=2 3795 B15R1.273 CCOC1CCCCC1NCC(O)CC 270004a_100011218483_200000031474 [0,1,0,1,0,0|2,0,0]=4 3796 B15R1.273 CCOC1CCCCC1NC[C@@H](F)CO 270004a_100015665980_200000031474 [0,1,0,1,0,0|2,0,0]=4 3797 B15R1.605 CCCN1CCCC1COCC(O)CC 34a_200000694710_100011218378 [0,1,0,1,0,0|2,0,0]=4 3798 B15R1.605 CCCN1CCCC1COCC(O)CC 7a_200000694710_100011218378 [0,1,0,1,0,0|2,0,0]=4 3799 B15R1.605 CCCN1CCCC1COCC(O)CO 34a_200000694710_100011219619 [0,1,0,1,0,0|1,0,0]=3 3800 B15R1.605 CCCN1CCCC1COCC(O)CO 7a_200000694710_100011219619 [0,1,0,1,0,0|1,0,0]=3 3801 B15R1.605 CCCN1CCCC1COC[C@@H](C)CO 34a_200000694710_100000059175 [0,1,0,1,0,0|2,0,0]=4 3802 B15R1.605 CCCN1CCCC1COC[C@@H](C)CO 7a_200000694710_100000059175 [0,1,0,1,0,0|2,0,0]=4 3803 B15R1.605 CCCN1CCCC1COC[C@@H](O)CF 34a_200000694710_100015614560 [0,1,0,1,0,0|2,0,0]=4 3804 B15R1.605 CCCN1CCCC1COC[C@@H](O)CF 7a_200000694710_100015614560 [0,1,0,1,0,0|2,0,0]=4 3805 B15R1.605 CCCN1CCCC1COC[C@@H](O)CO 34a_200000694710_100009815848 [0,1,0,1,0,0|1,0,0]=3 3806 B15R1.605 CCCN1CCCC1COC[C@@H](O)CO 7a_200000694710_100009815848 [0,1,0,1,0,0|1,0,0]=3 3807 B15R1.853 CCCCC1CCCC1NCC(C)CO 269862a_100000744482_100000750825 [0,1,0,1,0,0|2,0,0]=4 3808 B15R1.853 CCCCC1CCCC1NCC(O)CC 269862a_100011218483_100000750825 [0,1,0,1,0,0|2,0,0]=4 3809 B15R1.853 CCCCC1CCCC1NCC(O)CC 270004a_100011218483_100000750825 [0,1,0,1,0,0|2,0,0]=4 3810 B15R1.853 CCCCC1CCCC1NC[C@@H](F)CO 269862a_100015665980_100000750825 [0,1,0,1,0,0|2,0,0]=4 3811 B15R1.853 CCCCC1CCCC1NC[C@@H](F)CO 270004a_100015665980_100000750825 [0,1,0,1,0,0|2,0,0]=4 3812 B15R1.853 CCCCC1CCCC1NC[C@H](O)CO 269862a_100020644852_100000750825 [0,1,0,1,0,0|1,0,0]=3 3813 B15R1.1569 CCC(O)COCC1CCCN(C1)CC 7a_200000227639_100011218378 [0,1,0,1,0,0|2,0,0]=4 3814 B15R1.1569 CCN1CCCC(C1)CNCC(O)CO 2230a_100000747413_100011219619 [0,1,0,1,0,0|2,0,0]=4 3815 B15R1.1569 CCN1CCCC(C1)CNC[C@@H](O)CO 2230a_100000747413_100009815848 [0,1,0,1,0,0|2,0,0]=4 3816 B15R1.1569 CCN1CCCC(C1)COCC(O)CO 7a_200000227639_100011219619 [0,1,0,1,0,0|1,0,0]=3 3817 B15R1.1569 CCN1CCCC(C1)COC[C@@H](C)CO 7a_200000227639_100000059175 [0,1,0,1,0,0|2,0,0]=4 3818 B15R1.1569 CCN1CCCC(C1)COC[C@@H](O)CF 7a_200000227639_100015614560 [0,1,0,1,0,0|2,0,0]=4 3819 B15R1.1569 CCN1CCCC(C1)COC[C@@H](O)CO 7a_200000227639_100009815848 [0,1,0,1,0,0|1,0,0]=3 3820 B15R1.4165 CCN1CC(CC1=O)COCC(O)CO 34a_100000758270_100011219619 [0,1,0,1,0,0|1,0,1]=4 3821 B15R1.4165 CCN1CC(CC1=O)COCC(O)CO 7a_100000758270_100011219619 [0,1,0,1,0,0|1,0,1]=4 3822 B15R1.4165 CCN1CC(CC1=O)COC[C@@H](O)CO 34a_100000758270_100009815848 [0,1,0,1,0,0|1,0,1]=4 3823 B15R1.4165 CCN1CC(CC1=O)COC[C@@H](O)CO 7a_100000758270_100009815848 [0,1,0,1,0,0|1,0,1]=4 3824 B15R1.12436 C=CC(O)COCC1CCCCCCC1 34a_100011216312_100000730141 [0,1,0,1,0,0|1,0,1]=4 3825 B15R1.12436 C=CC(O)COCC1CCCCCCC1 7a_100011216312_100000730141 [0,1,0,1,0,0|1,0,1]=4 3826 B15R1.12436 CCC(C)COCC1CCCCCCC1 34a_100011216312_100000748023 [0,1,0,1,0,0|2,0,0]=4 3827 B15R1.12436 CCC(C)COCC1CCCCCCC1 7a_100011216312_100000748023 [0,1,0,1,0,0|2,0,0]=4 3828 B15R1.12436 CCC(O)COCC1CCCCCCC1 34a_100011216312_100011218378 [0,1,0,1,0,0|1,0,0]=3 3829 B15R1.12436 CCC(O)COCC1CCCCCCC1 7a_100011216312_100011218378 [0,1,0,1,0,0|1,0,0]=3 3830 B15R1.12436 CC[C@H](C)COCC1CCCCCCC1 34a_100011216312_100009816398 [0,1,0,1,0,0|2,0,0]=4 3831 B15R1.12436 CC[C@H](C)COCC1CCCCCCC1 7a_100011216312_100009816398 [0,1,0,1,0,0|2,0,0]=4 3832 B15R1.12436 C[C@@H](CO)COCC1CCCCCCC1 34a_100011216312_100000059175 [0,1,0,1,0,0|1,0,0]=3 3833 B15R1.12436 C[C@@H](CO)COCC1CCCCCCC1 7a_100011216312_100000059175 [0,1,0,1,0,0|1,0,0]=3 3834 B15R1.12436 OCC(O)CNCC1CC/C=C\CCC1 2230a_100102730862_100011219619 [0,1,0,1,0,0|1,0,1]=4 3835 B15R1.12436 OCC(O)CNCC1CC/C=C\CCC1 34a_100102730862_100011219619 [0,1,0,1,0,0|1,0,1]=4 3836 B15R1.12436 OCC(O)COCC1CCCCCCC1 34a_100011216312_100011219619 [0,1,0,1,0,0|0,0,0]=2 3837 B15R1.12436 OCC(O)COCC1CCCCCCC1 7a_100011216312_100011219619 [0,1,0,1,0,0|0,0,0]=2 3838 B15R1.12436 OC[C@H](O)CNCC1CC/C=C\CCC1 2230a_100102730862_100009815848 [0,1,0,1,0,0|1,0,1]=4 3839 B15R1.12436 OC[C@H](O)CNCC1CC/C=C\CCC1 34a_100102730862_100009815848 [0,1,0,1,0,0|1,0,1]=4 3840 B15R1.12436 OC[C@H](O)COCC1CCCCCCC1 34a_100011216312_100009815848 [0,1,0,1,0,0|0,0,0]=2 3841 B15R1.12436 OC[C@H](O)COCC1CCCCCCC1 7a_100011216312_100009815848 [0,1,0,1,0,0|0,0,0]=2 3842 B15R1.12436 O[C@@H](CF)COCC1CCCCCCC1 34a_100011216312_100015614560 [0,1,0,1,0,0|1,0,0]=3 3843 B15R1.12436 O[C@@H](CF)COCC1CCCCCCC1 7a_100011216312_100015614560 [0,1,0,1,0,0|1,0,0]=3 3844 B15R1.58819 CCC(O)CNCC1(CCCC1)COC 2230a_100012001599_100011218378 [0,1,0,1,0,0|2,0,0]=4 3845 B15R1.58819 COCC1(CCCC1)CNCC(O)CO 2230a_100012001599_100011219619 [0,1,0,1,0,0|1,0,0]=3 3846 B15R1.58819 COCC1(CCCC1)CNC[C@@H](C)CO 2230a_100012001599_100000059175 [0,1,0,1,0,0|2,0,0]=4 3847 B15R1.58819 COCC1(CCCC1)CNC[C@@H](O)CF 2230a_100012001599_100015614560 [0,1,0,1,0,0|2,0,0]=4 3848 B15R1.58819 COCC1(CCCC1)CNC[C@@H](O)CO 2230a_100012001599_100009815848 [0,1,0,1,0,0|1,0,0]=3 3849 B15R1.8 CC(C)(CO)COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100009813988 [0,1,0,1,0,0|2,0,0]=4 3850 B15R1.8 CC1CCC(CC1)CNCC(C)(C)CO 34a_103436935547_100009813988 [0,1,0,1,0,0|2,0,0]=4 3851 B15R1.8 CC1CCC(CC1)COCC(C)(C)CO 34a_100000701341_100009813988 [0,1,0,1,0,0|1,0,0]=3 3852 B15R1.4097 CC(C)(CO)COC[C@H]1CC[C@H](C1)CN 34a_206354213956_100009813988 [0,1,0,1,0,0|2,0,0]=4 3853 B15R1.4545 CC(C)(CO)COC1CCCCC1CN 34a_100011216029_100009813988 [0,1,0,1,0,0|2,0,0]=4 3854 B15R1.4545 CCC1CCCCC1NCC(C)(C)CO 269862a_100020635058_100000757040 [0,1,0,1,0,0|2,0,0]=4 3855 B15R1.4545 CCC1CCCCC1NCC(C)(C)CO 270004a_100020635058_100000757040 [0,1,0,1,0,0|2,0,0]=4 3856 B15R1.4545 CCC1CCCCC1OCC(C)(C)CO 34a_100000210738_100009813988 [0,1,0,1,0,0|1,0,0]=3 3857 B15R1.4545 CCC1CCCCC1OCC(C)(C)CO 7a_100000210738_100009813988 [0,1,0,1,0,0|1,0,0]=3 3858 B15R1.4545 CN[C@@H]1CCCC[C@H]1OCC(C)(C)CO 34a_100000708425_100009813988 [0,1,0,1,0,0|2,0,0]=4 3859 B15R1.4545 CO[C@H]1CCCC[C@@H]1OCC(C)(C)CO 34a_200009815850_100009813988 [0,1,0,1,0,0|2,0,0]=4 3860 B15R1.4545 CO[C@H]1CCCC[C@@H]1OCC(C)(C)CO 7a_200009815850_100009813988 [0,1,0,1,0,0|2,0,0]=4 3861 B15R1.4597 CCC1CCC(N(C1)CC(C)(C)CO)C 34a_100011219223_100009813988 [0,1,0,1,0,0|2,0,0]=4 3862 B15R1.7696 CN1CCCCC1COCC(C)(C)CO 34a_100000225079_100009813988 [0,1,0,1,0,0|2,0,0]=4 3863 B15R1.7883 CC(C)(CCl)COCC1CCCCCC1 7a_100011217199_200000696569 [0,1,0,1,0,0|2,0,0]=4 3864 B15R1.7883 CC(C)(CO)CNCC1CCCCCC1 2230a_100020635058_200000696569 [0,1,0,1,0,0|2,0,0]=4 3865 B15R1.7883 CC(C)(CO)CNCC1CCCCCC1 269862a_100020635058_200000763224 [0,1,0,1,0,0|2,0,0]=4 3866 B15R1.7883 CC(C)(CO)CNCC1CCCCCC1 34a_100015204231_100009813988 [0,1,0,1,0,0|2,0,0]=4 3867 B15R1.7883 CC(C)(CO)COCC1CCCCCC1 34a_100000699130_100009813988 [0,1,0,1,0,0|1,0,0]=3 3868 B15R1.7883 CC(C)(CO)COCC1CCCCCC1 7a_100000699130_100009813988 [0,1,0,1,0,0|1,0,0]=3 3869 B15R1.7883 CC(C)(CO)CSCC1CCCCCC1 62a_100009813988_200000696569 [0,1,0,1,0,0|1,1,0]=4 3870 B15R1.7883 CC(C)(CO)CSCC1CCCCCC1 62a_200000696569_100009813988 [0,1,0,1,0,0|1,1,0]=4 3871 B15R1.7883 CCC(C)(C)COCC1CCCCCC1 7a_100000765029_200000696569 [0,1,0,1,0,0|2,0,0]=4 3872 B15R1.7883 NCC(F)(F)COCC1CCCCCC1 34a_100000703232_200000696569 [0,1,0,1,0,0|2,0,0]=4 3873 B15R1.15192 CCCCC(CC)CN1CCC(C1)(C)O 2230a_100000718628_100000211942 [0,1,0,1,0,0|2,0,0]=4 3874 B15R1.15192 CCCCC(CC)CN1CCC(C1)(C)O 269982a_100000718628_100000211942 [0,1,0,1,0,0|2,0,0]=4 3875 B15R1.15192 CCCCC(CC)CN1CCC(C1)(C)O 270004a_100000718628_100011219736 [0,1,0,1,0,0|2,0,0]=4 3876 B15R1.32742 CCCCC(CC)CNCC1(CCC1)O 2230a_100000752638_100000211942 [0,1,0,1,0,0|2,0,0]=4 3877 B15R1.32742 CCCCC(CC)CNCC1(CCC1)O 269862a_100000752638_100011219736 [0,1,0,1,0,0|2,0,0]=4 3878 B15R1.32742 CCCCC(CC)CNCC1(CCC1)O 270004a_100000752638_100011219736 [0,1,0,1,0,0|2,0,0]=4 3879 B15R1.32742 CCCCC(CC)CNCC1(COC1)C 2230a_100000209976_100000066812 [0,1,0,1,0,0|2,0,0]=4 3880 B15R1.32742 CCCCC(CC)CNCC1(COC1)C 2230a_100020631278_100000211942 [0,1,0,1,0,0|2,0,0]=4 3881 B15R1.32742 CCCCC(CC)CNCC1(COC1)C 269862a_100000209976_100000050806 [0,1,0,1,0,0|2,0,0]=4 3882 B15R1.32742 CCCCC(CC)CNCC1(COC1)C 269862a_100020631278_100011219736 [0,1,0,1,0,0|2,0,0]=4 3883 B15R1.32742 CCCCC(CC)CNCC1(COC1)C 270004a_100020631278_100011219736 [0,1,0,1,0,0|2,0,0]=4 3884 B15R1.32742 CCCCC(CC)CNCC1(COC1)O 2230a_100010264505_100000211942 [0,1,0,1,0,0|1,0,0]=3 3885 B15R1.32742 CCCCC(CC)CNCC1(COC1)O 269862a_100010264505_100011219736 [0,1,0,1,0,0|1,0,0]=3 3886 B15R1.32742 CCCCC(CC)CNCC1(COC1)O 270004a_100010264505_100011219736 [0,1,0,1,0,0|1,0,0]=3 3887 B15R1.32742 CCCCC(CC)COCC1(CCC1)C 34a_100000210273_100000726658 [0,1,0,1,0,0|2,0,0]=4 3888 B15R1.32742 CCCCC(CC)COCC1(CCC1)C 7a_100000210273_100000726658 [0,1,0,1,0,0|2,0,0]=4 3889 B15R1.32742 CCCCC(CC)COCC1(COC1)C 34a_100000210273_100009817586 [0,1,0,1,0,0|1,0,0]=3 3890 B15R1.32742 CCCCC(CC)COCC1(COC1)C 7a_100000210273_100009817586 [0,1,0,1,0,0|1,0,0]=3 3891 B15R1.32742 CCCCC(CC)COCC1(CSC1)C 34a_100000732658_100000211942 [0,1,0,1,0,0|1,1,0]=4 3892 B15R1.32742 CCCCC(CC)COCC1(CSC1)C 7a_100000732658_100000211942 [0,1,0,1,0,0|1,1,0]=4 3893 B15R1.32742 CCCCC(CC)CSCC1(COC1)C 62a_100000211942_100009817586 [0,1,0,1,0,0|1,1,0]=4 3894 B15R1.32742 CCCCC(CC)CSCC1(COC1)C 62a_100009817586_100000211942 [0,1,0,1,0,0|1,1,0]=4 3895 B15R1.49736 CC(C)(CO)COCC1(CCCC1)CN 34a_100000699429_100009813988 [0,1,0,1,0,0|2,0,0]=4 3896 B15R1.68239 CCCCC(CC)CNCC1(CC1)CO 2230a_100000757901_100000211942 [0,1,0,1,0,0|2,0,0]=4 3897 B15R1.68239 CCCCC(CC)CNCC1(CC1)CO 269862a_100000757901_100011219736 [0,1,0,1,0,0|2,0,0]=4 3898 B15R1.68239 CCCCC(CC)CNCC1(CC1)CO 270004a_100000757901_100011219736 [0,1,0,1,0,0|2,0,0]=4 3899 B15R1.68239 CCCCC(CC)COCC1(CC1)C#N 34a_100000210273_100000695377 [0,1,0,1,0,0|2,0,0]=4 3900 B15R1.68239 CCCCC(CC)COCC1(CC1)C#N 34a_100000688837_100000211942 [0,1,0,1,0,0|2,0,0]=4 3901 B15R1.68239 CCCCC(CC)COCC1(CC1)C#N 7a_100000210273_100000695377 [0,1,0,1,0,0|2,0,0]=4 3902 B15R1.68239 CCCCC(CC)COCC1(CC1)C#N 7a_100000688837_100000211942 [0,1,0,1,0,0|2,0,0]=4 3903 B15R1.68239 CCCCC(CC)COCC1(CO1)CC 34a_100000210273_200000139556 [0,1,0,1,0,0|1,0,0]=3 3904 B15R1.68239 CCCCC(CC)COCC1(CO1)CC 7a_100000210273_200000139556 [0,1,0,1,0,0|1,0,0]=3 3905 B15R1.68239 CCCCC(CC)CSCC1(CO1)CC 62a_100000211942_200000139556 [0,1,0,1,0,0|1,1,0]=4 3906 B15R1.68239 CCCCC(CC)CSCC1(CO1)CC 62a_200000139556_100000211942 [0,1,0,1,0,0|1,1,0]=4 3907 B15R1.3836 CC1=CC(C(CC1)CNC[C@H](O)CO)C 269862a_100020644852_100000075207 [0,1,0,1,0,0|1,0,1]=4 3908 B15R1.37459 CCOC(=O)C1(CC1)COCC(O)CO 7a_100000093544_100011219619 [0,1,0,1,0,0|1,0,1]=4 3909 B15R1.37459 CCOC(=O)C1(CC1)COC[C@@H](O)CO 7a_100000093544_100009815848 [0,1,0,1,0,0|1,0,1]=4 3910 B15R1.73005 CCCC(C)N1CCCC(CC1)(O)CO 2230a_200015185645_100000766640 [0,1,0,1,0,0|2,0,0]=4 3911 B15R1.73005 CCCC(C)N1CCCC(CC1)(O)CO 269982a_200015185645_100000766640 [0,1,0,1,0,0|2,0,0]=4 3912 B15R1.73005 CCCC(C)N1CCCC(CC1)(O)CO 270004a_200015185645_100000211909 [0,1,0,1,0,0|2,0,0]=4 3913 B15R1.206 C=CC(O)COCC1CCN(CC1)CC 7a_100011383928_100000730141 [0,1,0,1,0,0|1,0,1]=4 3914 B15R1.206 C=CC(O)COC[C@H]1CC[C@@H](CC1)CN 34a_100121570882_100000730141 [0,1,0,1,0,0|1,0,1]=4 3915 B15R1.206 C=CC(O)COC[C@H]1CC[C@@H](CC1)NC 34a_100009831571_100000730141 [0,1,0,1,0,0|1,0,1]=4 3916 B15R1.206 CCC(C)COCC1CCN(CC1)CC 7a_100011383928_100000748023 [0,1,0,1,0,0|2,0,0]=4 3917 B15R1.206 CCC(C)COC[C@H]1CC[C@@H](CC1)CN 34a_100121570882_100000748023 [0,1,0,1,0,0|2,0,0]=4 3918 B15R1.206 CCC(C)COC[C@H]1CC[C@@H](CC1)NC 34a_100009831571_100000748023 [0,1,0,1,0,0|2,0,0]=4 3919 B15R1.206 CCC(O)CNCC1CCC(CC1)OC 2230a_100011218483_100013032858 [0,1,0,1,0,0|2,0,0]=4 3920 B15R1.206 CCC(O)CNCC1CCN(CC1)CC 2230a_100000744039_100011218378 [0,1,0,1,0,0|2,0,0]=4 3921 B15R1.206 CCC(O)CNCC1CCN(CC1)CC 270004a_100011218483_100011722624 [0,1,0,1,0,0|2,0,0]=4 3922 B15R1.206 CCC(O)CNC[C@H]1CC[C@@H](CC1)CO 2230a_100121570882_100011218378 [0,1,0,1,0,0|2,0,0]=4 3923 B15R1.206 CCC(O)CNC[C@H]1CC[C@@H](CC1)CO 34a_100121570882_100011218378 [0,1,0,1,0,0|2,0,0]=4 3924 B15R1.206 CCC(O)COCC1CCN(CC1)CC 7a_100011383928_100011218378 [0,1,0,1,0,0|1,0,0]=3 3925 B15R1.206 CCC(O)COC[C@H]1CC[C@@H](CC1)CN 34a_100121570882_100011218378 [0,1,0,1,0,0|1,0,0]=3 3926 B15R1.206 CCC(O)COC[C@H]1CC[C@@H](CC1)NC 34a_100009831571_100011218378 [0,1,0,1,0,0|1,0,0]=3 3927 B15R1.206 CCC(O)CSCC1CCC(CC1)OC 62a_100011218378_100013032858 [0,1,0,1,0,0|1,1,0]=4 3928 B15R1.206 CCC(O)CSCC1CCC(CC1)OC 62a_100013032858_100011218378 [0,1,0,1,0,0|1,1,0]=4 3929 B15R1.206 CCN1CCC(CC1)CNCC(O)CO 2230a_100000744039_100011219619 [0,1,0,1,0,0|1,0,0]=3 3930 B15R1.206 CCN1CCC(CC1)CNC[C@@H](C)CO 2230a_100000744039_100000059175 [0,1,0,1,0,0|2,0,0]=4 3931 B15R1.206 CCN1CCC(CC1)CNC[C@@H](F)CO 270004a_100015665980_100011722624 [0,1,0,1,0,0|2,0,0]=4 3932 B15R1.206 CCN1CCC(CC1)CNC[C@@H](O)CF 2230a_100000744039_100015614560 [0,1,0,1,0,0|2,0,0]=4 3933 B15R1.206 CCN1CCC(CC1)CNC[C@@H](O)CO 2230a_100000744039_100009815848 [0,1,0,1,0,0|1,0,0]=3 3934 B15R1.206 CCN1CCC(CC1)COCC(O)CO 7a_100011383928_100011219619 [0,1,0,1,0,0|0,0,0]=2 3935 B15R1.206 CCN1CCC(CC1)COC[C@@H](C)CO 7a_100011383928_100000059175 [0,1,0,1,0,0|1,0,0]=3 3936 B15R1.206 CCN1CCC(CC1)COC[C@@H](O)CF 7a_100011383928_100015614560 [0,1,0,1,0,0|1,0,0]=3 3937 B15R1.206 CCN1CCC(CC1)COC[C@@H](O)CO 7a_100011383928_100009815848 [0,1,0,1,0,0|0,0,0]=2 3938 B15R1.206 CC[C@H](C)COCC1CCC(CC1)OC 7a_100009816381_100013032858 [0,1,0,1,0,0|2,0,0]=4 3939 B15R1.206 CC[C@H](C)COCC1CCN(CC1)CC 7a_100011383928_100009816398 [0,1,0,1,0,0|2,0,0]=4 3940 B15R1.206 CC[C@H](C)COC[C@H]1CC[C@@H](CC1)CN 34a_100121570882_100009816398 [0,1,0,1,0,0|2,0,0]=4 3941 B15R1.206 CC[C@H](C)COC[C@H]1CC[C@@H](CC1)NC 34a_100009831571_100009816398 [0,1,0,1,0,0|2,0,0]=4 3942 B15R1.206 CN[C@H]1CC[C@@H](CC1)COCC(O)CO 34a_100009831571_100011219619 [0,1,0,1,0,0|0,0,0]=2 3943 B15R1.206 CN[C@H]1CC[C@@H](CC1)COC[C@@H](C)CO 34a_100009831571_100000059175 [0,1,0,1,0,0|1,0,0]=3 3944 B15R1.206 CN[C@H]1CC[C@@H](CC1)COC[C@@H](O)CF 34a_100009831571_100015614560 [0,1,0,1,0,0|1,0,0]=3 3945 B15R1.206 CN[C@H]1CC[C@@H](CC1)COC[C@@H](O)CO 34a_100009831571_100009815848 [0,1,0,1,0,0|0,0,0]=2 3946 B15R1.206 COC1CCC(CC1)CNCC(C)CO 34a_100000744482_100013032858 [0,1,0,1,0,0|2,0,0]=4 3947 B15R1.206 COC1CCC(CC1)CNC[C@@H](F)CO 34a_100015665980_100013032858 [0,1,0,1,0,0|2,0,0]=4 3948 B15R1.206 COC1CCC(CC1)CNC[C@H](O)CO 2230a_100020644852_100013032858 [0,1,0,1,0,0|1,0,0]=3 3949 B15R1.206 COC1CCC(CC1)COCC(C)CN 34a_100000744482_100013032858 [0,1,0,1,0,0|2,0,0]=4 3950 B15R1.206 COC1CCC(CC1)COCC(Cl)CCl 34a_100000033668_100013032858 [0,1,0,1,0,0|2,0,0]=4 3951 B15R1.206 COC1CCC(CC1)COC[C@H](F)CN 34a_100015665980_100013032858 [0,1,0,1,0,0|2,0,0]=4 3952 B15R1.206 COC1CCC(CC1)CSCC(O)CO 62a_100011219619_100013032858 [0,1,0,1,0,0|0,1,0]=3 3953 B15R1.206 COC1CCC(CC1)CSCC(O)CO 62a_100013032858_100011219619 [0,1,0,1,0,0|0,1,0]=3 3954 B15R1.206 COC1CCC(CC1)CSC[C@@H](C)CO 62a_100000059175_100013032858 [0,1,0,1,0,0|1,1,0]=4 3955 B15R1.206 COC1CCC(CC1)CSC[C@@H](C)CO 62a_100013032858_100000059175 [0,1,0,1,0,0|1,1,0]=4 3956 B15R1.206 COC1CCC(CC1)CSC[C@@H](O)CF 62a_100013032858_100015614560 [0,1,0,1,0,0|1,1,0]=4 3957 B15R1.206 COC1CCC(CC1)CSC[C@@H](O)CF 62a_100015614560_100013032858 [0,1,0,1,0,0|1,1,0]=4 3958 B15R1.206 COC1CCC(CC1)CSC[C@@H](O)CO 62a_100009815848_100013032858 [0,1,0,1,0,0|0,1,0]=3 3959 B15R1.206 COC1CCC(CC1)CSC[C@@H](O)CO 62a_100013032858_100009815848 [0,1,0,1,0,0|0,1,0]=3 3960 B15R1.206 C[C@@H](CO)CNC[C@H]1CC[C@@H](CC1)CO 2230a_100121570882_100000059175 [0,1,0,1,0,0|2,0,0]=4 3961 B15R1.206 C[C@@H](CO)CNC[C@H]1CC[C@@H](CC1)CO 34a_100121570882_100000059175 [0,1,0,1,0,0|2,0,0]=4 3962 B15R1.206 C[C@@H](CO)COC[C@H]1CC[C@@H](CC1)CN 34a_100121570882_100000059175 [0,1,0,1,0,0|1,0,0]=3 3963 B15R1.206 NC[C@H]1CC[C@@H](CC1)COCC(O)CO 34a_100121570882_100011219619 [0,1,0,1,0,0|0,0,0]=2 3964 B15R1.206 NC[C@H]1CC[C@@H](CC1)COC[C@@H](O)CF 34a_100121570882_100015614560 [0,1,0,1,0,0|1,0,0]=3 3965 B15R1.206 NC[C@H]1CC[C@@H](CC1)COC[C@@H](O)CO 34a_100121570882_100009815848 [0,1,0,1,0,0|0,0,0]=2 3966 B15R1.206 OCC(O)CNC[C@H]1CC[C@@H](CC1)CO 2230a_100121570882_100011219619 [0,1,0,1,0,0|1,0,0]=3 3967 B15R1.206 OCC(O)CNC[C@H]1CC[C@@H](CC1)CO 34a_100121570882_100011219619 [0,1,0,1,0,0|1,0,0]=3 3968 B15R1.206 OC[C@H](O)CNC[C@H]1CC[C@@H](CC1)CO 2230a_100121570882_100009815848 [0,1,0,1,0,0|1,0,0]=3 3969 B15R1.206 OC[C@H](O)CNC[C@H]1CC[C@@H](CC1)CO 34a_100121570882_100009815848 [0,1,0,1,0,0|1,0,0]=3 3970 B15R1.206 OC[C@H]1CC[C@@H](CC1)CNC[C@@H](O)CF 2230a_100121570882_100015614560 [0,1,0,1,0,0|2,0,0]=4 3971 B15R1.206 OC[C@H]1CC[C@@H](CC1)CNC[C@@H](O)CF 34a_100121570882_100015614560 [0,1,0,1,0,0|2,0,0]=4 3972 B15R1.1166 CCCOCC1CCN(C1)CC(O)CC 2230a_200011652792_100011218378 [0,1,0,1,0,0|2,0,0]=4 3973 B15R1.1166 CCCOCC1CCN(C1)CC(O)CC 269982a_200011652792_100011218378 [0,1,0,1,0,0|2,0,0]=4 3974 B15R1.1166 CCCOCC1CCN(C1)CC(O)CC 34a_200011652792_100011218378 [0,1,0,1,0,0|2,0,0]=4 3975 B15R1.1166 CCCOCC1CCN(C1)CC(O)CO 2230a_200011652792_100011219619 [0,1,0,1,0,0|1,0,0]=3 3976 B15R1.1166 CCCOCC1CCN(C1)CC(O)CO 34a_200011652792_100011219619 [0,1,0,1,0,0|1,0,0]=3 3977 B15R1.1166 CCCOCC1CCN(C1)C[C@@H](C)CO 2230a_200011652792_100000059175 [0,1,0,1,0,0|2,0,0]=4 3978 B15R1.1166 CCCOCC1CCN(C1)C[C@@H](C)CO 269982a_200011652792_100000059175 [0,1,0,1,0,0|2,0,0]=4 3979 B15R1.1166 CCCOCC1CCN(C1)C[C@@H](C)CO 34a_200011652792_100000059175 [0,1,0,1,0,0|2,0,0]=4 3980 B15R1.1166 CCCOCC1CCN(C1)C[C@@H](O)CF 2230a_200011652792_100015614560 [0,1,0,1,0,0|2,0,0]=4 3981 B15R1.1166 CCCOCC1CCN(C1)C[C@@H](O)CF 34a_200011652792_100015614560 [0,1,0,1,0,0|2,0,0]=4 3982 B15R1.1166 CCCOCC1CCN(C1)C[C@@H](O)CO 2230a_200011652792_100009815848 [0,1,0,1,0,0|1,0,0]=3 3983 B15R1.1166 CCCOCC1CCN(C1)C[C@@H](O)CO 34a_200011652792_100009815848 [0,1,0,1,0,0|1,0,0]=3 3984 B15R1.7391 C=CCN1CCC(C1)COCC(O)CO 34a_100011652569_100011219619 [0,1,0,1,0,0|0,0,2]=4 3985 B15R1.7391 C=CCN1CCC(C1)COC[C@@H](O)CO 34a_100011652569_100009815848 [0,1,0,1,0,0|0,0,2]=4 3986 B15R1.42441 CCC(O)COCC1(CCOCC1)CN 34a_100000691804_100011218378 [0,1,0,1,0,0|2,0,0]=4 3987 B15R1.42441 CCC(O)COCC1(COCOC1)CC 7a_200000042503_100011218378 [0,1,0,1,0,0|2,0,0]=4 3988 B15R1.42441 CCC1(COCOC1)COCC(O)CO 7a_200000042503_100011219619 [0,1,0,1,0,0|1,0,0]=3 3989 B15R1.42441 CCC1(COCOC1)COC[C@@H](C)CO 7a_200000042503_100000059175 [0,1,0,1,0,0|2,0,0]=4 3990 B15R1.42441 CCC1(COCOC1)COC[C@@H](O)CF 7a_200000042503_100015614560 [0,1,0,1,0,0|2,0,0]=4 3991 B15R1.42441 CCC1(COCOC1)COC[C@@H](O)CO 7a_200000042503_100009815848 [0,1,0,1,0,0|1,0,0]=3 3992 B15R1.42441 C[C@@H](CO)COCC1(CCOCC1)CN 34a_100000691804_100000059175 [0,1,0,1,0,0|2,0,0]=4 3993 B15R1.42441 N#CC1(CCOCC1)COCC(O)CO 34a_100000698802_100011219619 [0,1,0,1,0,0|1,0,1]=4 3994 B15R1.42441 N#CC1(CCOCC1)COCC(O)CO 7a_100000698802_100011219619 [0,1,0,1,0,0|1,0,1]=4 3995 B15R1.42441 N#CC1(CCOCC1)COC[C@@H](O)CO 34a_100000698802_100009815848 [0,1,0,1,0,0|1,0,1]=4 3996 B15R1.42441 N#CC1(CCOCC1)COC[C@@H](O)CO 7a_100000698802_100009815848 [0,1,0,1,0,0|1,0,1]=4 3997 B15R1.42441 NCC1(CCOCC1)COCC(O)CO 34a_100000691804_100011219619 [0,1,0,1,0,0|1,0,0]=3 3998 B15R1.42441 NCC1(CCOCC1)COC[C@@H](O)CF 34a_100000691804_100015614560 [0,1,0,1,0,0|2,0,0]=4 3999 B15R1.42441 NCC1(CCOCC1)COC[C@@H](O)CO 34a_100000691804_100009815848 [0,1,0,1,0,0|1,0,0]=3 4000 B15R1.42441 OCC(O)CNCC1(CCOCC1)CO 2230a_100000691804_100011219619 [0,1,0,1,0,0|2,0,0]=4 4001 B15R1.42441 OCC(O)CNCC1(CCOCC1)CO 34a_100000691804_100011219619 [0,1,0,1,0,0|2,0,0]=4 4002 B15R1.42441 OC[C@H](O)CNCC1(CCOCC1)CO 2230a_100000691804_100009815848 [0,1,0,1,0,0|2,0,0]=4 4003 B15R1.42441 OC[C@H](O)CNCC1(CCOCC1)CO 34a_100000691804_100009815848 [0,1,0,1,0,0|2,0,0]=4 4004 B15R1.68018 CCCCCN1CCCC(CC1)(O)CO 2230a_200015185645_100000210326 [0,1,0,1,0,0|2,0,0]=4 4005 B15R1.68018 CCCCCN1CCCC(CC1)(O)CO 269982a_200015185645_100000210215 [0,1,0,1,0,0|2,0,0]=4 4006 B15R1.68018 CCOCCN1CCCC(CC1)(O)CO 2230a_200015185645_100011215890 [0,1,0,1,0,0|2,0,0]=4 4007 B15R1.68018 CCOCCN1CCCC(CC1)(O)CO 269982a_200015185645_100011215890 [0,1,0,1,0,0|2,0,0]=4 4008 B15R1.68018 CCSCCN1CCCC(CC1)(O)CO 2230a_200015185645_100000757381 [0,1,0,1,0,0|2,0,0]=4 4009 B15R1.68018 CCSCCN1CCCC(CC1)(O)CO 269982a_200015185645_100000757381 [0,1,0,1,0,0|2,0,0]=4 4010 B15R1.68018 COCCCN1CCCC(CC1)(O)CO 2230a_200015185645_100000740836 [0,1,0,1,0,0|2,0,0]=4 4011 B15R1.68018 COCCCN1CCCC(CC1)(O)CO 269982a_200015185645_100000740836 [0,1,0,1,0,0|2,0,0]=4 4012 B15R1.68018 OCC1(CCCN(CC1)CCCCF)O 2230a_200015185645_100000729493 [0,1,0,1,0,0|2,0,0]=4 4013 B15R1.68018 OCC1(CCCN(CC1)CCCCF)O 269982a_200015185645_100000729493 [0,1,0,1,0,0|2,0,0]=4 4014 B15R1.68018 OCCCCN1CCCC(CC1)(O)CO 2230a_200015185645_100000210776 [0,1,0,1,0,0|2,0,0]=4 4015 B15R1.68018 OCCCCN1CCCC(CC1)(O)CO 269982a_200015185645_100000210776 [0,1,0,1,0,0|2,0,0]=4 4016 B15R1.9 CCC(CC)COCC1CCC(CC1)C 34a_100000701341_100011215472 [0,1,0,1,0,0|2,0,0]=4 4017 B15R1.9 COC(COCC1CCC(CC1)C)OC 34a_100000701341_100000211822 [0,1,0,1,0,0|2,0,0]=4 4018 B15R1.1146 CCC(CC)COC1CCCCC1CC 34a_100000210738_100011215472 [0,1,0,1,0,0|2,0,0]=4 4019 B15R1.1146 CCC(CC)COC1CCCCC1CC 7a_100000210738_100011215472 [0,1,0,1,0,0|2,0,0]=4 4020 B15R1.1146 CCC(CNC1CCCCC1CC)OC 269862a_100000731041_100000757040 [0,1,0,1,0,0|2,0,0]=4 4021 B15R1.1146 CCC(CNC1CCCCC1CC)OC 270004a_100000731041_100000757040 [0,1,0,1,0,0|2,0,0]=4 4022 B15R1.1146 CCC1CCCCC1OCC(OC)OC 34a_100000210738_100000211822 [0,1,0,1,0,0|2,0,0]=4 4023 B15R1.1146 CCC1CCCCC1OCC(OC)OC 7a_100000210738_100000751394 [0,1,0,1,0,0|2,0,0]=4 4024 B15R1.3919 CCCCC(CC)CNCC1CCCO1 2230a_100000209976_100000203698 [0,1,0,1,0,0|2,0,0]=4 4025 B15R1.3919 CCCCC(CC)CNCC1CCOC1 2230a_100000209976_100000702531 [0,1,0,1,0,0|2,0,0]=4 4026 B15R1.3919 CCCCC(CC)CNCC1CCOC1 2230a_100000737293_100000211942 [0,1,0,1,0,0|2,0,0]=4 4027 B15R1.3919 CCCCC(CC)CNCC1CCOC1 269862a_100000737293_100011219736 [0,1,0,1,0,0|2,0,0]=4 4028 B15R1.3919 CCCCC(CC)CNCC1CCOC1 270004a_100000737293_100011219736 [0,1,0,1,0,0|2,0,0]=4 4029 B15R1.3919 CCCCC(CC)CNCC1CCOC1 34a_100000737293_100000211942 [0,1,0,1,0,0|2,0,0]=4 4030 B15R1.3919 CCCCC(CC)CNCC1OCCO1 2230a_100000036311_100000211942 [0,1,0,1,0,0|2,0,0]=4 4031 B15R1.3919 CCCCC(CC)CNCC1OCCO1 2230a_100000209976_100000755774 [0,1,0,1,0,0|2,0,0]=4 4032 B15R1.3919 CCCCC(CC)CNCC1OCCO1 270004a_100000036311_100011219736 [0,1,0,1,0,0|2,0,0]=4 4033 B15R1.3919 CCCCC(CC)CNCC1OCCO1 34a_100000036311_100000211942 [0,1,0,1,0,0|2,0,0]=4 4034 B15R1.3919 CCCCC(CC)CNC[C@@H]1CCCO1 2230a_100020590478_100000211942 [0,1,0,1,0,0|2,0,0]=4 4035 B15R1.3919 CCCCC(CC)CNC[C@@H]1CCCO1 269862a_100020590478_100011219736 [0,1,0,1,0,0|2,0,0]=4 4036 B15R1.3919 CCCCC(CC)CNC[C@@H]1CCCO1 270004a_100020590478_100011219736 [0,1,0,1,0,0|2,0,0]=4 4037 B15R1.3919 CCCCC(CC)CNC[C@@H]1CCCO1 34a_100020590478_100000211942 [0,1,0,1,0,0|2,0,0]=4 4038 B15R1.3919 CCCCC(CC)COCC1CC=CC1 34a_100000688395_100000211942 [0,1,0,1,0,0|2,0,0]=4 4039 B15R1.3919 CCCCC(CC)COCC1CCCC1 34a_100000210273_100000740388 [0,1,0,1,0,0|2,0,0]=4 4040 B15R1.3919 CCCCC(CC)COCC1CCCC1 34a_100000742336_100000211942 [0,1,0,1,0,0|2,0,0]=4 4041 B15R1.3919 CCCCC(CC)COCC1CCCC1 7a_100000210273_100000740388 [0,1,0,1,0,0|2,0,0]=4 4042 B15R1.3919 CCCCC(CC)COCC1CCCC1 7a_100000742336_100000211942 [0,1,0,1,0,0|2,0,0]=4 4043 B15R1.3919 CCCCC(CC)COCC1CCCO1 34a_100000210270_100000211942 [0,1,0,1,0,0|1,0,0]=3 4044 B15R1.3919 CCCCC(CC)COCC1CCCO1 7a_100000210270_100000211942 [0,1,0,1,0,0|1,0,0]=3 4045 B15R1.3919 CCCCC(CC)COCC1CCCO1 7a_100000210273_100000203698 [0,1,0,1,0,0|1,0,0]=3 4046 B15R1.3919 CCCCC(CC)COCC1CCNC1 34a_100000748654_100000211942 [0,1,0,1,0,0|2,0,0]=4 4047 B15R1.3919 CCCCC(CC)COCC1CCOC1 34a_100000210273_100011261433 [0,1,0,1,0,0|1,0,0]=3 4048 B15R1.3919 CCCCC(CC)COCC1CCOC1 34a_100000740260_100000211942 [0,1,0,1,0,0|1,0,0]=3 4049 B15R1.3919 CCCCC(CC)COCC1CCOC1 7a_100000210273_100000702531 [0,1,0,1,0,0|1,0,0]=3 4050 B15R1.3919 CCCCC(CC)COCC1COCO1 34a_100011216627_100000211942 [0,1,0,1,0,0|0,0,0]=2 4051 B15R1.3919 CCCCC(CC)COCC1OCCO1 34a_100000087154_100000211942 [0,1,0,1,0,0|1,0,0]=3 4052 B15R1.3919 CCCCC(CC)COCC1OCCO1 34a_100000210273_100000755774 [0,1,0,1,0,0|1,0,0]=3 4053 B15R1.3919 CCCCC(CC)COCC1OCCO1 7a_100000210273_100000755774 [0,1,0,1,0,0|1,0,0]=3 4054 B15R1.3919 CCCCC(CC)COC[C@H]1CCCN1 34a_100000745186_100000211942 [0,1,0,1,0,0|2,0,0]=4 4055 B15R1.3919 CCCCC(CC)CSCC1CCCO1 62a_100000203698_100000211942 [0,1,0,1,0,0|1,1,0]=4 4056 B15R1.3919 CCCCC(CC)CSCC1CCCO1 62a_100000211942_100000203698 [0,1,0,1,0,0|1,1,0]=4 4057 B15R1.3919 CCCCC(CC)CSCC1CCOC1 62a_100000211942_100000702531 [0,1,0,1,0,0|1,1,0]=4 4058 B15R1.3919 CCCCC(CC)CSCC1CCOC1 62a_100000702531_100000211942 [0,1,0,1,0,0|1,1,0]=4 4059 B15R1.3919 CCCCC(CC)CSCC1OCCO1 62a_100000211942_100000755774 [0,1,0,1,0,0|1,1,0]=4 4060 B15R1.3919 CCCCC(CC)CSCC1OCCO1 62a_100000755774_100000211942 [0,1,0,1,0,0|1,1,0]=4 4061 B15R1.4092 CCC(COCC1CCN(C1)CC)OC 7a_100011934954_100015184589 [0,1,0,1,0,0|2,0,0]=4 4062 B15R1.5710 CCC(COCC1CCCCN1C)OC 34a_100011934954_100015186950 [0,1,0,1,0,0|2,0,0]=4 4063 B15R1.5710 CCC(COCC1CCCCN1C)OC 7a_100011934954_100015185383 [0,1,0,1,0,0|2,0,0]=4 4064 B15R1.8724 CCC(CC)COCC1CCCCCC1 34a_100000699130_100011215472 [0,1,0,1,0,0|2,0,0]=4 4065 B15R1.8724 CCC(CC)COCC1CCCCCC1 7a_100000699130_100011215472 [0,1,0,1,0,0|2,0,0]=4 4066 B15R1.8724 CCC(CC)COCC1CCCCCC1 7a_100000703878_200000696569 [0,1,0,1,0,0|2,0,0]=4 4067 B15R1.8724 CCC(CNCC1CCCCCC1)OC 269862a_100000731041_200000763224 [0,1,0,1,0,0|2,0,0]=4 4068 B15R1.8724 CCC(COCC1CCCCCC1)OC 34a_100011934954_200000696569 [0,1,0,1,0,0|1,0,0]=3 4069 B15R1.8724 CCC(COCC1CCCCCC1)OC 7a_100011934954_200000696569 [0,1,0,1,0,0|1,0,0]=3 4070 B15R1.8724 COC(COCC1CCCCCC1)OC 34a_100000699130_100000211822 [0,1,0,1,0,0|2,0,0]=4 4071 B15R1.8724 COC(COCC1CCCCCC1)OC 34a_100011216393_200000696569 [0,1,0,1,0,0|2,0,0]=4 4072 B15R1.8724 COC(COCC1CCCCCC1)OC 7a_100000699130_100000751394 [0,1,0,1,0,0|2,0,0]=4 4073 B15R1.11 C=C1CCC(CC1)COCC(O)COC 34a_100000074039_100011215053 [0,1,0,1,0,0|0,0,2]=4 4074 B15R1.11 CC1CCC(CC1)CNC[C@@H](O)CC#N 2230a_103436935547_100000001066 [0,1,0,1,0,0|2,0,0]=4 4075 B15R1.11 CC1CCC(CC1)COCC(=O)NCO 34a_100000701341_100000185155 [0,1,0,1,0,0|0,0,2]=4 4076 B15R1.11 CCCC(C)COCC1CCC(CC1)C 34a_100000701341_100011216630 [0,1,0,1,0,0|2,0,0]=4 4077 B15R1.11 COCC(O)CNCC1CCC(CC1)C 34a_103436935547_100011215053 [0,1,0,1,0,0|1,0,0]=3 4078 B15R1.11 COCC(O)COCC1CCC(=O)CC1 34a_100000062911_100011215053 [0,1,0,1,0,0|1,0,1]=4 4079 B15R1.11 COCC(O)COCC1CCC(CC1)C 34a_100000701341_100011215053 [0,1,0,1,0,0|0,0,0]=2 4080 B15R1.11 COCC(O)COC[C@@H]1CN[C@H](CN1)C 34a_100160570299_100011215053 [0,1,0,1,0,0|2,0,0]=4 4081 B15R1.11 COCC(O)COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100011215053 [0,1,0,1,0,0|1,0,0]=3 4082 B15R1.11 COCC(O)CSCC1CCN(CC1)C 62a_100011215053_100015183002 [0,1,0,1,0,0|1,1,0]=4 4083 B15R1.11 COCC(O)CSCC1CCN(CC1)C 62a_100015183002_100011215053 [0,1,0,1,0,0|1,1,0]=4 4084 B15R1.768 CCC1CCCCC1NCC(O)COC 269862a_100000756049_100000757040 [0,1,0,1,0,0|1,0,0]=3 4085 B15R1.768 CCC1CCCCC1NCC(O)COC 270004a_100000756049_100000757040 [0,1,0,1,0,0|1,0,0]=3 4086 B15R1.768 CCC1CCCCC1OCC(=O)NCO 34a_100000210738_100000185155 [0,1,0,1,0,0|0,0,2]=4 4087 B15R1.768 CCC1CCCCC1OCC(=O)NCO 7a_100000210738_100000185155 [0,1,0,1,0,0|0,0,2]=4 4088 B15R1.768 CCC1CCCCC1OCC(O)COC 34a_100000210738_100011215053 [0,1,0,1,0,0|0,0,0]=2 4089 B15R1.768 CCC1CCCCC1OCC(O)COC 7a_100000210738_100011215053 [0,1,0,1,0,0|0,0,0]=2 4090 B15R1.768 CCC1CCCCC1OC[C@@H](O)CC#N 7a_100000210738_100000001066 [0,1,0,1,0,0|1,0,0]=3 4091 B15R1.768 CCCC(C)COC1CCCCC1CC 34a_100000210738_100011216630 [0,1,0,1,0,0|2,0,0]=4 4092 B15R1.768 CCCC(C)COC1CCCCC1CC 7a_100000210738_100011216630 [0,1,0,1,0,0|2,0,0]=4 4093 B15R1.768 CN[C@@H]1CCCC[C@H]1OCC(O)COC 34a_100000708425_100011215053 [0,1,0,1,0,0|1,0,0]=3 4094 B15R1.768 COCC(O)CNC1CCCCC1CO 270004a_100000756049_100009861125 [0,1,0,1,0,0|2,0,0]=4 4095 B15R1.768 COCC(O)CNC1CCCCC1OC 270004a_100000756049_100000740605 [0,1,0,1,0,0|2,0,0]=4 4096 B15R1.768 COCC(O)CNC1CCCCC1OC 34a_100011208099_100011215053 [0,1,0,1,0,0|2,0,0]=4 4097 B15R1.768 COCC(O)COC1CCCCC1CN 34a_100011216029_100011215053 [0,1,0,1,0,0|1,0,0]=3 4098 B15R1.768 COCC(O)CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100011215053 [0,1,0,1,0,0|1,0,0]=3 4099 B15R1.768 COCC(O)CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100011215053 [0,1,0,1,0,0|1,0,0]=3 4100 B15R1.768 CO[C@H]1CCCC[C@@H]1OC[C@@H](O)CC#N 7a_200009815850_100000001066 [0,1,0,1,0,0|2,0,0]=4 4101 B15R1.1252 COCC(N)COCC1CCCCN1C 34a_100000724102_100015186950 [0,1,0,1,0,0|2,0,0]=4 4102 B15R1.1252 COCC(O)CNCC1CCCCC1O 34a_100011216029_100011215053 [0,1,0,1,0,0|2,0,0]=4 4103 B15R1.1252 COCC(O)CNCC1CCCCN1C 34a_100000756049_100015186950 [0,1,0,1,0,0|2,0,0]=4 4104 B15R1.1252 COCC(O)CNCC1CCCCN1C 34a_100011228421_100011215053 [0,1,0,1,0,0|2,0,0]=4 4105 B15R1.1252 COCC(O)COCC1CC=CCC1C 34a_100000211322_100011215053 [0,1,0,1,0,0|0,0,2]=4 4106 B15R1.1252 COCC(O)COCC1CCCCC1=O 34a_100009861125_100011215053 [0,1,0,1,0,0|1,0,1]=4 4107 B15R1.1252 COCC(O)COCC1CCCCC1=O 7a_100009861125_100011215053 [0,1,0,1,0,0|1,0,1]=4 4108 B15R1.1252 COCC(O)COCC1CCCCN1C 34a_100000225079_100011215053 [0,1,0,1,0,0|1,0,0]=3 4109 B15R1.1252 COCC(O)COCC1COCCC1N 34a_214813039666_100011215053 [0,1,0,1,0,0|2,0,0]=4 4110 B15R1.1252 COCC(O)COCC1COCCN1C 34a_100013547906_100011215053 [0,1,0,1,0,0|2,0,0]=4 4111 B15R1.1252 COCC(O)CSCC1CCCCN1C 62a_100011215053_100015185383 [0,1,0,1,0,0|1,1,0]=4 4112 B15R1.1252 COCC(O)CSCC1CCCCN1C 62a_100015185383_100011215053 [0,1,0,1,0,0|1,1,0]=4 4113 B15R1.1255 CCC1CCC(N(C1)CC(O)COC)C 34a_100011219223_100011215053 [0,1,0,1,0,0|1,0,0]=3 4114 B15R1.1255 CCC1CCC(N(C1)C[C@@H](O)CC#N)C 2230a_100011219223_100000001066 [0,1,0,1,0,0|2,0,0]=4 4115 B15R1.2461 C=CCC(C)COCC1CCCCCC1 34a_100009832082_200000696569 [0,1,0,1,0,0|2,0,0]=4 4116 B15R1.2461 C=CCC(C)COCC1CCCCCC1 7a_100009832082_200000696569 [0,1,0,1,0,0|2,0,0]=4 4117 B15R1.2461 C=CC[C@@H](N)COCC1CCCCCC1 34a_100020615467_200000696569 [0,1,0,1,0,0|2,0,0]=4 4118 B15R1.2461 CC(CCN)COCC1CCCCCC1 34a_106354213184_200000696569 [0,1,0,1,0,0|2,0,0]=4 4119 B15R1.2461 CCCC(C)COCC1CCCCCC1 34a_100000688023_200000696569 [0,1,0,1,0,0|2,0,0]=4 4120 B15R1.2461 CCCC(C)COCC1CCCCCC1 34a_100000699130_100011216630 [0,1,0,1,0,0|2,0,0]=4 4121 B15R1.2461 CCCC(C)COCC1CCCCCC1 7a_100000688023_200000696569 [0,1,0,1,0,0|2,0,0]=4 4122 B15R1.2461 CCCC(C)COCC1CCCCCC1 7a_100000699130_100011216630 [0,1,0,1,0,0|2,0,0]=4 4123 B15R1.2461 CCC[C@H](N)COCC1CCCCCC1 34a_100000732646_200000696569 [0,1,0,1,0,0|2,0,0]=4 4124 B15R1.2461 COCC(N)COCC1CCCCCC1 34a_100000724102_200000696569 [0,1,0,1,0,0|1,0,0]=3 4125 B15R1.2461 COCC(O)CNCC1CCCCCC1 2230a_100000756049_200000696569 [0,1,0,1,0,0|1,0,0]=3 4126 B15R1.2461 COCC(O)CNCC1CCCCCC1 269862a_100000756049_200000763224 [0,1,0,1,0,0|1,0,0]=3 4127 B15R1.2461 COCC(O)CNCC1CCCCCC1 34a_100000756049_200000696569 [0,1,0,1,0,0|1,0,0]=3 4128 B15R1.2461 COCC(O)CNCC1CCCCCC1 34a_100015204231_100011215053 [0,1,0,1,0,0|1,0,0]=3 4129 B15R1.2461 COCC(O)COCC1CCCCCC1 34a_100000699130_100011215053 [0,1,0,1,0,0|0,0,0]=2 4130 B15R1.2461 COCC(O)COCC1CCCCCC1 7a_100000699130_100011215053 [0,1,0,1,0,0|0,0,0]=2 4131 B15R1.2461 COCC(O)COCC1CNCCOC1 34a_100103147999_100011215053 [0,1,0,1,0,0|2,0,0]=4 4132 B15R1.2461 COCC(O)CSCC1CCCCCC1 62a_100011215053_200000696569 [0,1,0,1,0,0|0,1,0]=3 4133 B15R1.2461 COCC(O)CSCC1CCCCCC1 62a_200000696569_100011215053 [0,1,0,1,0,0|0,1,0]=3 4134 B15R1.2461 N#CC[C@H](O)CNCC1CCCCCC1 2230a_100015204231_100000001066 [0,1,0,1,0,0|2,0,0]=4 4135 B15R1.2461 N#CC[C@H](O)COCC1CCCCCC1 7a_100000699130_100000001066 [0,1,0,1,0,0|1,0,0]=3 4136 B15R1.2461 N#CC[C@H](O)CSCC1CCCCCC1 62a_100000001066_200000696569 [0,1,0,1,0,0|1,1,0]=4 4137 B15R1.2461 N#CC[C@H](O)CSCC1CCCCCC1 62a_200000696569_100000001066 [0,1,0,1,0,0|1,1,0]=4 4138 B15R1.2461 O=C(COCC1CCCCCC1)NCO 34a_100000699130_100000185155 [0,1,0,1,0,0|0,0,2]=4 4139 B15R1.2461 O=C(COCC1CCCCCC1)NCO 7a_100000699130_100000185155 [0,1,0,1,0,0|0,0,2]=4 4140 B15R1.3500 C=C1CC(C1)COCC(CC)CCCC 34a_100011011225_100000211942 [0,1,0,1,0,0|2,0,0]=4 4141 B15R1.3500 CCCCC(CC)CNCC1CC(C1)O 2230a_100016992100_100000211942 [0,1,0,1,0,0|2,0,0]=4 4142 B15R1.3500 CCCCC(CC)CNCC1CC(C1)O 269862a_100016992100_100011219736 [0,1,0,1,0,0|2,0,0]=4 4143 B15R1.3500 CCCCC(CC)CNCC1CC(C1)O 270004a_100016992100_100011219736 [0,1,0,1,0,0|2,0,0]=4 4144 B15R1.3500 CCCCC(CC)COCC1CC(=O)C1 34a_100000101936_100000211942 [0,1,0,1,0,0|1,0,1]=4 4145 B15R1.3500 CCCCC(CC)COCC1CC(=O)C1 7a_100000210273_100009874392 [0,1,0,1,0,0|1,0,1]=4 4146 B15R1.3500 CCCCC(CC)COCC1CC(C1)Cl 34a_100009874164_100000211942 [0,1,0,1,0,0|2,0,0]=4 4147 B15R1.9901 CCN1CCC(C1)CNCC(O)COC 2230a_100000756049_100015184589 [0,1,0,1,0,0|2,0,0]=4 4148 B15R1.9901 CCN1CCC(C1)CSCC(O)COC 62a_100011215053_100015184589 [0,1,0,1,0,0|1,1,0]=4 4149 B15R1.9901 CCN1CCC(C1)CSCC(O)COC 62a_100015184589_100011215053 [0,1,0,1,0,0|1,1,0]=4 4150 B15R1.9901 COCC(O)CNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100011215053 [0,1,0,1,0,0|2,0,0]=4 4151 B15R1.9901 COCC(O)COC[C@H]1CC[C@H](C1)CN 34a_206354213956_100011215053 [0,1,0,1,0,0|1,0,0]=3 4152 B15R1.15302 CCCCC(CC)CN1CC(C1)COC 2230a_100016993750_100000211942 [0,1,0,1,0,0|2,0,0]=4 4153 B15R1.15302 CCCCC(CC)CN1CC(C1)COC 269982a_100016993750_100000211942 [0,1,0,1,0,0|2,0,0]=4 4154 B15R1.15302 CCCCC(CC)CN1CC(C1)COC 270004a_100016993750_100011219736 [0,1,0,1,0,0|2,0,0]=4 4155 B15R1.15302 CCCCC(CC)CN1CC(C1)COC 34a_100016993750_100000211942 [0,1,0,1,0,0|2,0,0]=4 4156 B15R1.45805 COCC(O)CNCC1(CCCC1)CO 34a_100000699429_100011215053 [0,1,0,1,0,0|2,0,0]=4 4157 B15R1.45805 COCC(O)COCC1(CCCC1)CN 34a_100000699429_100011215053 [0,1,0,1,0,0|1,0,0]=3 4158 B15R1.3837 CC1(OCC(CO1)COCC(O)CO)C 34a_100009878466_100011219619 [0,1,0,1,0,0|2,0,0]=4 4159 B15R1.3837 CC1(OCC(CO1)COCC(O)CO)C 7a_100009878466_100011219619 [0,1,0,1,0,0|2,0,0]=4 4160 B15R1.3837 CC1(OCC(CO1)COC[C@@H](O)CO)C 34a_100009878466_100009815848 [0,1,0,1,0,0|2,0,0]=4 4161 B15R1.3837 CC1(OCC(CO1)COC[C@@H](O)CO)C 7a_100009878466_100009815848 [0,1,0,1,0,0|2,0,0]=4 4162 B15R1.3837 CCC(O)COCC1CCC(CC1)(F)F 34a_100012179939_100011218378 [0,1,0,1,0,0|2,0,0]=4 4163 B15R1.3837 CCC(O)COCC1CCC(CC1)(F)F 7a_100012179939_100011218378 [0,1,0,1,0,0|2,0,0]=4 4164 B15R1.3837 C[C@@H](CO)COCC1CCC(CC1)(F)F 34a_100012179939_100000059175 [0,1,0,1,0,0|2,0,0]=4 4165 B15R1.3837 C[C@@H](CO)COCC1CCC(CC1)(F)F 7a_100012179939_100000059175 [0,1,0,1,0,0|2,0,0]=4 4166 B15R1.3837 OCC(O)CNCC1CCC(CC1)(F)F 2230a_100016988479_100011219619 [0,1,0,1,0,0|2,0,0]=4 4167 B15R1.3837 OCC(O)CNCC1CCC(CC1)(F)F 34a_100016988479_100011219619 [0,1,0,1,0,0|2,0,0]=4 4168 B15R1.3837 OCC(O)COCC1CCC(CC1)(F)F 34a_100012179939_100011219619 [0,1,0,1,0,0|1,0,0]=3 4169 B15R1.3837 OCC(O)COCC1CCC(CC1)(F)F 7a_100012179939_100011219619 [0,1,0,1,0,0|1,0,0]=3 4170 B15R1.3837 OCC(O)CSCC1CCC(CC1)(F)F 62a_100011219619_100012361406 [0,1,0,1,0,0|1,1,0]=4 4171 B15R1.3837 OCC(O)CSCC1CCC(CC1)(F)F 62a_100012361406_100011219619 [0,1,0,1,0,0|1,1,0]=4 4172 B15R1.3837 OC[C@@H](O)CNCC1CCC(CC1)(F)F 2230a_100020644852_100012361406 [0,1,0,1,0,0|2,0,0]=4 4173 B15R1.3837 OC[C@@H](O)CNCC1CCC(CC1)(F)F 269862a_100020644852_100011361451 [0,1,0,1,0,0|2,0,0]=4 4174 B15R1.3837 OC[C@H](O)CNCC1CCC(CC1)(F)F 2230a_100016988479_100009815848 [0,1,0,1,0,0|2,0,0]=4 4175 B15R1.3837 OC[C@H](O)CNCC1CCC(CC1)(F)F 34a_100016988479_100009815848 [0,1,0,1,0,0|2,0,0]=4 4176 B15R1.3837 OC[C@H](O)COCC1CCC(CC1)(F)F 34a_100012179939_100009815848 [0,1,0,1,0,0|1,0,0]=3 4177 B15R1.3837 OC[C@H](O)COCC1CCC(CC1)(F)F 7a_100012179939_100009815848 [0,1,0,1,0,0|1,0,0]=3 4178 B15R1.3837 OC[C@H](O)CSCC1CCC(CC1)(F)F 62a_100009815848_100012361406 [0,1,0,1,0,0|1,1,0]=4 4179 B15R1.3837 OC[C@H](O)CSCC1CCC(CC1)(F)F 62a_100012361406_100009815848 [0,1,0,1,0,0|1,1,0]=4 4180 B15R1.3837 O[C@@H](CF)COCC1CCC(CC1)(F)F 34a_100012179939_100015614560 [0,1,0,1,0,0|2,0,0]=4 4181 B15R1.3837 O[C@@H](CF)COCC1CCC(CC1)(F)F 7a_100012179939_100015614560 [0,1,0,1,0,0|2,0,0]=4 4182 B15R1.12304 CC(C)N1CCC(C1)CNCC(O)CO 2230a_100000743801_100011219619 [0,1,0,1,0,0|2,0,0]=4 4183 B15R1.12304 CC(C)N1CCC(C1)CNCC(O)CO 34a_100000743801_100011219619 [0,1,0,1,0,0|2,0,0]=4 4184 B15R1.12304 CC(C)N1CCC(C1)CNC[C@@H](O)CO 2230a_100000743801_100009815848 [0,1,0,1,0,0|2,0,0]=4 4185 B15R1.12304 CC(C)N1CCC(C1)CNC[C@@H](O)CO 34a_100000743801_100009815848 [0,1,0,1,0,0|2,0,0]=4 4186 B15R1.12304 CC(C)N1CCC(C1)CNC[C@H](O)CO 2230a_100020644852_100015187125 [0,1,0,1,0,0|2,0,0]=4 4187 B15R1.12304 CC(C)N1CCC(C1)COCC(O)CO 34a_200011652538_100011219619 [0,1,0,1,0,0|1,0,0]=3 4188 B15R1.12304 CC(C)N1CCC(C1)COCC(O)CO 7a_200011652538_100011219619 [0,1,0,1,0,0|1,0,0]=3 4189 B15R1.12304 CC(C)N1CCC(C1)COC[C@@H](C)CO 34a_200011652538_100000059175 [0,1,0,1,0,0|2,0,0]=4 4190 B15R1.12304 CC(C)N1CCC(C1)COC[C@@H](C)CO 7a_200011652538_100000059175 [0,1,0,1,0,0|2,0,0]=4 4191 B15R1.12304 CC(C)N1CCC(C1)COC[C@@H](O)CF 34a_200011652538_100015614560 [0,1,0,1,0,0|2,0,0]=4 4192 B15R1.12304 CC(C)N1CCC(C1)COC[C@@H](O)CF 7a_200011652538_100015614560 [0,1,0,1,0,0|2,0,0]=4 4193 B15R1.12304 CC(C)N1CCC(C1)COC[C@@H](O)CO 34a_200011652538_100009815848 [0,1,0,1,0,0|1,0,0]=3 4194 B15R1.12304 CC(C)N1CCC(C1)COC[C@@H](O)CO 7a_200011652538_100009815848 [0,1,0,1,0,0|1,0,0]=3 4195 B15R1.12304 CC(C)N1CCC(C1)CSCC(O)CO 62a_100011219619_100015187125 [0,1,0,1,0,0|1,1,0]=4 4196 B15R1.12304 CC(C)N1CCC(C1)CSCC(O)CO 62a_100015187125_100011219619 [0,1,0,1,0,0|1,1,0]=4 4197 B15R1.12304 CC(C)N1CCC(C1)CSC[C@@H](O)CO 62a_100009815848_100015187125 [0,1,0,1,0,0|1,1,0]=4 4198 B15R1.12304 CC(C)N1CCC(C1)CSC[C@@H](O)CO 62a_100015187125_100009815848 [0,1,0,1,0,0|1,1,0]=4 4199 B15R1.12304 CCC(O)COCC1CCN(C1)C(C)C 34a_200011652538_100011218378 [0,1,0,1,0,0|2,0,0]=4 4200 B15R1.12304 CCC(O)COCC1CCN(C1)C(C)C 7a_200011652538_100011218378 [0,1,0,1,0,0|2,0,0]=4 4201 B15R1.56412 CC(C)CCN1CCCC(CC1)(O)CO 2230a_200015185645_100000210312 [0,1,0,1,0,0|2,0,0]=4 4202 B15R1.56412 CC(C)CCN1CCCC(CC1)(O)CO 269982a_200015185645_100000210312 [0,1,0,1,0,0|2,0,0]=4 4203 B15R1.56412 CC(O)CCN1CCCC(CC1)(O)CO 2230a_200015185645_100012276601 [0,1,0,1,0,0|2,0,0]=4 4204 B15R1.56412 CC(O)CCN1CCCC(CC1)(O)CO 269982a_200015185645_100012276601 [0,1,0,1,0,0|2,0,0]=4 4205 B15R1.76038 CCC(C)CN1CCCC(CC1)(O)CO 2230a_200015185645_100000748023 [0,1,0,1,0,0|2,0,0]=4 4206 B15R1.76038 CCC(C)CN1CCCC(CC1)(O)CO 269982a_200015185645_100000748023 [0,1,0,1,0,0|2,0,0]=4 4207 B15R1.76038 CCC(C)CN1CCCC(CC1)(O)CO 270004a_200015185645_100000243153 [0,1,0,1,0,0|2,0,0]=4 4208 B15R1.76038 CCC(O)CN1CCCC(CC1)(O)CO 2230a_200015185645_100011218378 [0,1,0,1,0,0|2,0,0]=4 4209 B15R1.76038 CCC(O)CN1CCCC(CC1)(O)CO 269982a_200015185645_100011218378 [0,1,0,1,0,0|2,0,0]=4 4210 B15R1.76038 CC[C@H](C)CN1CCCC(CC1)(O)CO 2230a_200015185645_100009816398 [0,1,0,1,0,0|2,0,0]=4 4211 B15R1.76038 CC[C@H](C)CN1CCCC(CC1)(O)CO 269982a_200015185645_100009816398 [0,1,0,1,0,0|2,0,0]=4 4212 B15R1.1108 C=CC(O)COC1CCCCC1C(C)C 34a_100011709184_100000730141 [0,1,0,1,0,0|1,0,1]=4 4213 B15R1.1108 C=CC(O)COC1CCCCC1C(C)C 7a_100011709184_100000730141 [0,1,0,1,0,0|1,0,1]=4 4214 B15R1.1108 CC(C)C1CCCCC1OCC(O)CO 34a_100011709184_100011219619 [0,1,0,1,0,0|0,0,0]=2 4215 B15R1.1108 CC(C)C1CCCCC1OCC(O)CO 7a_100011709184_100011219619 [0,1,0,1,0,0|0,0,0]=2 4216 B15R1.1108 CC(C)C1CCCCC1OC[C@@H](C)CO 34a_100011709184_100000059175 [0,1,0,1,0,0|1,0,0]=3 4217 B15R1.1108 CC(C)C1CCCCC1OC[C@@H](C)CO 7a_100011709184_100000059175 [0,1,0,1,0,0|1,0,0]=3 4218 B15R1.1108 CC(C)C1CCCCC1OC[C@@H](O)CF 34a_100011709184_100015614560 [0,1,0,1,0,0|1,0,0]=3 4219 B15R1.1108 CC(C)C1CCCCC1OC[C@@H](O)CF 7a_100011709184_100015614560 [0,1,0,1,0,0|1,0,0]=3 4220 B15R1.1108 CC(C)C1CCCCC1OC[C@@H](O)CO 34a_100011709184_100009815848 [0,1,0,1,0,0|0,0,0]=2 4221 B15R1.1108 CC(C)C1CCCCC1OC[C@@H](O)CO 7a_100011709184_100009815848 [0,1,0,1,0,0|0,0,0]=2 4222 B15R1.1108 CCC(C)COC1CCCCC1C(C)C 34a_100011709184_100000748023 [0,1,0,1,0,0|2,0,0]=4 4223 B15R1.1108 CCC(C)COC1CCCCC1C(C)C 7a_100011709184_100000748023 [0,1,0,1,0,0|2,0,0]=4 4224 B15R1.1108 CCC(O)COC1CCCCC1C(C)C 34a_100011709184_100011218378 [0,1,0,1,0,0|1,0,0]=3 4225 B15R1.1108 CCC(O)COC1CCCCC1C(C)C 7a_100011709184_100011218378 [0,1,0,1,0,0|1,0,0]=3 4226 B15R1.1108 CC[C@H](C)COC1CCCCC1C(C)C 34a_100011709184_100009816398 [0,1,0,1,0,0|2,0,0]=4 4227 B15R1.1108 CC[C@H](C)COC1CCCCC1C(C)C 7a_100011709184_100009816398 [0,1,0,1,0,0|2,0,0]=4 4228 B15R1.3180 OCC(O)COCC1CNCCC1(F)F 34a_100000733642_100011219619 [0,1,0,1,0,0|2,0,0]=4 4229 B15R1.3180 OC[C@H](O)COCC1CNCCC1(F)F 34a_100000733642_100009815848 [0,1,0,1,0,0|2,0,0]=4 4230 B15R1.132 CC(NC[C@H](O)CO)C1CCN(CC1)C 269862a_100020644852_100000739861 [0,1,0,1,0,0|2,0,0]=4 4231 B15R1.132 C[C@H]1CC[C@@H](CC1)C(=O)NC[C@H](O)CO 240690a_100020644852_100009815934 [0,1,0,1,0,0|1,0,1]=4 4232 B15R1.132 C[C@H]1CC[C@@H](CC1)C(=O)NC[C@H](O)CO 527a_100020644852_100009815934 [0,1,0,1,0,0|1,0,1]=4 4233 B15R1.5815 CC1CCCCC1C(=O)NC[C@H](O)CO 240690a_100020644852_100011215568 [0,1,0,1,0,0|1,0,1]=4 4234 B15R1.5815 CC1CCCCC1C(=O)NC[C@H](O)CO 527a_100020644852_100011215568 [0,1,0,1,0,0|1,0,1]=4 4235 B15R1.12036 CCCCC(CC)C(C)OCC1CCC1 34a_200011290779_100000763275 [0,1,0,1,0,0|2,0,0]=4 4236 B15R1.12036 CCCCC(CC)C(C)OCC1CCC1 7a_200011290779_100000763275 [0,1,0,1,0,0|2,0,0]=4 4237 B15R1.12036 CCCCC(CC)C(C)OCC1CCO1 34a_200011290779_100000103362 [0,1,0,1,0,0|1,0,0]=3 4238 B15R1.12036 CCCCC(CC)C(C)OCC1CCO1 7a_200011290779_100000103362 [0,1,0,1,0,0|1,0,0]=3 4239 B15R1.12036 CCCCC(CC)C(C)OCC1COC1 34a_200011290779_100010264016 [0,1,0,1,0,0|1,0,0]=3 4240 B15R1.12036 CCCCC(CC)C(C)OCC1COC1 7a_200011290779_100010264016 [0,1,0,1,0,0|1,0,0]=3 4241 B15R1.15305 CCCCC(CC)C(C)OCC1(CO1)C 34a_200011290779_100000760498 [0,1,0,1,0,0|1,0,0]=3 4242 B15R1.23624 O=C(NC[C@H](O)CO)C1CCCCCC1 240690a_100020644852_100000749507 [0,1,0,1,0,0|1,0,1]=4 4243 B15R1.23624 O=C(NC[C@H](O)CO)C1CCCCCC1 527a_100020644852_100000749507 [0,1,0,1,0,0|1,0,1]=4 4244 B15R2.1554 CC1(CO1)COC[C@H]2CC[C@@H](CC2)N 34a_100009821084_100000760498 [0,0,0,2,0,0|2,0,0]=4 4245 B15R2.1554 CC1CCC(CC1)CNCC2(CO2)C 34a_103436935547_100000760498 [0,0,0,2,0,0|2,0,0]=4 4246 B15R2.1554 CC1CCC(CC1)COCC2(CO2)C 34a_100000701341_100000760498 [0,0,0,2,0,0|1,0,0]=3 4247 B15R2.19027 CC1CCC(CC1)CNCC2CCO2 2230a_103436935547_100000103362 [0,0,0,2,0,0|2,0,0]=4 4248 B15R2.19027 CC1CCC(CC1)CNCC2CCO2 34a_103436935547_100000103362 [0,0,0,2,0,0|2,0,0]=4 4249 B15R2.19027 CC1CCC(CC1)CNCC2COC2 2230a_103436935547_100010264016 [0,0,0,2,0,0|2,0,0]=4 4250 B15R2.19027 CC1CCC(CC1)CNCC2COC2 34a_103436935547_100010264016 [0,0,0,2,0,0|2,0,0]=4 4251 B15R2.19027 CC1CCC(CC1)COCC2CCC2 34a_100000701341_100000763275 [0,0,0,2,0,0|2,0,0]=4 4252 B15R2.19027 CC1CCC(CC1)COCC2CCO2 34a_100000701341_100000103362 [0,0,0,2,0,0|1,0,0]=3 4253 B15R2.19027 CC1CCC(CC1)COCC2COC2 34a_100000701341_100010264016 [0,0,0,2,0,0|1,0,0]=3 4254 B15R2.19027 N[C@H]1CC[C@@H](CC1)COCC2CCO2 34a_100009821084_100000103362 [0,0,0,2,0,0|2,0,0]=4 4255 B15R2.19027 N[C@H]1CC[C@@H](CC1)COCC2COC2 34a_100009821084_100010264016 [0,0,0,2,0,0|2,0,0]=4 4256 B15R2.19196 OCC(O)CN[C@H]1CN2CCC1CC2 2230a_100016987387_100011219619 [0,0,0,2,0,0|2,0,0]=4 4257 B15R2.19196 OC[C@H](O)CN[C@H]1CN2CCC1CC2 2230a_100016987387_100009815848 [0,0,0,2,0,0|2,0,0]=4 4258 B15R2.2189 CCC1CCCCC1N2CCC(C2)O 270004a_100011215560_100000757040 [0,0,0,2,0,0|2,0,0]=4 4259 B15R2.6962 OC1CCN(C1)CC2CCCCCC2 2230a_100011215560_200000696569 [0,0,0,2,0,0|2,0,0]=4 4260 B15R2.6962 OC1CCN(C1)CC2CCCCCC2 269982a_100011215560_200000696569 [0,0,0,2,0,0|2,0,0]=4 4261 B15R2.1569 CCC(O)CN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100011218378 [0,0,0,2,0,0|2,0,0]=4 4262 B15R2.1569 CCC(O)CN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100011218378 [0,0,0,2,0,0|2,0,0]=4 4263 B15R2.1569 CCC(O)CN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100011218378 [0,0,0,2,0,0|2,0,0]=4 4264 B15R2.1569 C[C@@H](CO)CN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100000059175 [0,0,0,2,0,0|2,0,0]=4 4265 B15R2.1569 C[C@@H](CO)CN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000059175 [0,0,0,2,0,0|2,0,0]=4 4266 B15R2.1569 C[C@@H](CO)CN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100000059175 [0,0,0,2,0,0|2,0,0]=4 4267 B15R2.1569 OCC(O)CN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100011219619 [0,0,0,2,0,0|1,0,0]=3 4268 B15R2.1569 OCC(O)CN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100011219619 [0,0,0,2,0,0|1,0,0]=3 4269 B15R2.1569 OC[C@H](O)CN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100009815848 [0,0,0,2,0,0|1,0,0]=3 4270 B15R2.1569 OC[C@H](O)CN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100009815848 [0,0,0,2,0,0|1,0,0]=3 4271 B15R2.1569 O[C@@H](CF)CN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100015614560 [0,0,0,2,0,0|2,0,0]=4 4272 B15R2.1569 O[C@@H](CF)CN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100015614560 [0,0,0,2,0,0|2,0,0]=4 4273 B15R2.19496 CN1CC[C@H]2[C@@H]1CN(C2)CC(O)CO 2230a_100132300928_100011219619 [0,0,0,2,0,0|2,0,0]=4 4274 B15R2.19496 CN1CC[C@H]2[C@@H]1CN(C2)CC(O)CO 34a_100132300928_100011219619 [0,0,0,2,0,0|2,0,0]=4 4275 B15R2.19496 CN1CC[C@H]2[C@@H]1CN(C2)C[C@@H](O)CO 2230a_100132300928_100009815848 [0,0,0,2,0,0|2,0,0]=4 4276 B15R2.19496 CN1CC[C@H]2[C@@H]1CN(C2)C[C@@H](O)CO 34a_100132300928_100009815848 [0,0,0,2,0,0|2,0,0]=4 4277 B15R2.188247 CCC(O)CN1CCC2(C1)CCCC2 2230a_100000764703_100011218378 [0,0,0,2,0,0|2,0,0]=4 4278 B15R2.188247 CCC(O)CN1CCC2(C1)CCCC2 269982a_100000764703_100011218378 [0,0,0,2,0,0|2,0,0]=4 4279 B15R2.188247 CCC(O)CN1CCC2(C1)CCCC2 34a_100000764703_100011218378 [0,0,0,2,0,0|2,0,0]=4 4280 B15R2.188247 C[C@@H](CO)CN1CCC2(C1)CCCC2 2230a_100000764703_100000059175 [0,0,0,2,0,0|2,0,0]=4 4281 B15R2.188247 C[C@@H](CO)CN1CCC2(C1)CCCC2 269982a_100000764703_100000059175 [0,0,0,2,0,0|2,0,0]=4 4282 B15R2.188247 C[C@@H](CO)CN1CCC2(C1)CCCC2 34a_100000764703_100000059175 [0,0,0,2,0,0|2,0,0]=4 4283 B15R2.188247 OCC(O)CN1CCC2(C1)CCCC2 2230a_100000764703_100011219619 [0,0,0,2,0,0|1,0,0]=3 4284 B15R2.188247 OCC(O)CN1CCC2(C1)CCCC2 34a_100000764703_100011219619 [0,0,0,2,0,0|1,0,0]=3 4285 B15R2.188247 OCC(O)CN1CCC2(C1)CCOC2 2230a_100000687094_100011219619 [0,0,0,2,0,0|2,0,0]=4 4286 B15R2.188247 OCC(O)CN1CCC2(C1)CCOC2 34a_100000687094_100011219619 [0,0,0,2,0,0|2,0,0]=4 4287 B15R2.188247 OC[C@H](O)CN1CCC2(C1)CCCC2 2230a_100000764703_100009815848 [0,0,0,2,0,0|1,0,0]=3 4288 B15R2.188247 OC[C@H](O)CN1CCC2(C1)CCCC2 34a_100000764703_100009815848 [0,0,0,2,0,0|1,0,0]=3 4289 B15R2.188247 OC[C@H](O)CN1CCC2(C1)CCOC2 2230a_100000687094_100009815848 [0,0,0,2,0,0|2,0,0]=4 4290 B15R2.188247 OC[C@H](O)CN1CCC2(C1)CCOC2 34a_100000687094_100009815848 [0,0,0,2,0,0|2,0,0]=4 4291 B15R2.188247 O[C@@H](CF)CN1CCC2(C1)CCCC2 2230a_100000764703_100015614560 [0,0,0,2,0,0|2,0,0]=4 4292 B15R2.188247 O[C@@H](CF)CN1CCC2(C1)CCCC2 34a_100000764703_100015614560 [0,0,0,2,0,0|2,0,0]=4 4293 B15R2.8803 CN1CCCCC1COCC2CCO2 34a_100000039022_100015186950 [0,0,0,2,0,0|2,0,0]=4 4294 B15R2.8803 CN1CCCCC1COCC2CCO2 34a_100000225079_100000103362 [0,0,0,2,0,0|2,0,0]=4 4295 B15R2.8803 CN1CCCCC1COCC2COC2 34a_100000060846_100015186950 [0,0,0,2,0,0|2,0,0]=4 4296 B15R2.8803 CN1CCCCC1COCC2COC2 34a_100000225079_100010264016 [0,0,0,2,0,0|2,0,0]=4 4297 B15R2.8834 CN1CCCCC1COCC2(CO2)C 34a_100000225079_100000760498 [0,0,0,2,0,0|2,0,0]=4 4298 B15R2.19292 C=CC(O)COCC1CC2CCC1C2 34a_100000229996_100000730141 [0,0,0,2,0,0|1,0,1]=4 4299 B15R2.19292 CC(CO)CNCC1CC2CCC1C2 269862a_100000744482_100000697602 [0,0,0,2,0,0|2,0,0]=4 4300 B15R2.19292 CCC(C)COCC1CC2CCC1C2 34a_100000229996_100000748023 [0,0,0,2,0,0|2,0,0]=4 4301 B15R2.19292 CCC(O)CNCC1CC2CCC1C2 269862a_100011218483_100000697602 [0,0,0,2,0,0|2,0,0]=4 4302 B15R2.19292 CCC(O)CNCC1CC2CCC1C2 270004a_100011218483_100000697602 [0,0,0,2,0,0|2,0,0]=4 4303 B15R2.19292 CCC(O)COCC1CC2CCC1C2 34a_100000229996_100011218378 [0,0,0,2,0,0|1,0,0]=3 4304 B15R2.19292 CC[C@H](C)COCC1CC2CCC1C2 34a_100000229996_100009816398 [0,0,0,2,0,0|2,0,0]=4 4305 B15R2.19292 C[C@@H](CO)COCC1CC2CCC1C2 34a_100000229996_100000059175 [0,0,0,2,0,0|1,0,0]=3 4306 B15R2.19292 OCC(O)COCC1CC2C=CC1C2 34a_100011215361_100011219619 [0,0,0,2,0,0|0,0,2]=4 4307 B15R2.19292 OCC(O)COCC1CC2CCC1C2 34a_100000229996_100011219619 [0,0,0,2,0,0|0,0,0]=2 4308 B15R2.19292 OC[C@@H](O)CNCC1CC2CCC1C2 269862a_100020644852_100000697602 [0,0,0,2,0,0|1,0,0]=3 4309 B15R2.19292 OC[C@H](F)CNCC1CC2CCC1C2 269862a_100015665980_100000697602 [0,0,0,2,0,0|2,0,0]=4 4310 B15R2.19292 OC[C@H](F)CNCC1CC2CCC1C2 270004a_100015665980_100000697602 [0,0,0,2,0,0|2,0,0]=4 4311 B15R2.19292 OC[C@H](O)COCC1CC2C=CC1C2 34a_100011215361_100009815848 [0,0,0,2,0,0|0,0,2]=4 4312 B15R2.19292 OC[C@H](O)COCC1CC2CCC1C2 34a_100000229996_100009815848 [0,0,0,2,0,0|0,0,0]=2 4313 B15R2.19292 O[C@@H](CF)COCC1CC2CCC1C2 34a_100000229996_100015614560 [0,0,0,2,0,0|1,0,0]=3 4314 B15R2.1922 CC1(CO1)COC2CCCCC2CN 34a_100011216029_100000760498 [0,0,0,2,0,0|2,0,0]=4 4315 B15R2.1922 CCC1CCCCC1NCC2(CC2)O 269862a_100011936951_100000757040 [0,0,0,2,0,0|2,0,0]=4 4316 B15R2.1922 CCC1CCCCC1NCC2(CC2)O 270004a_100011936951_100000757040 [0,0,0,2,0,0|2,0,0]=4 4317 B15R2.1922 CCC1CCCCC1OCC2(CO2)C 34a_100000210738_100000760498 [0,0,0,2,0,0|1,0,0]=3 4318 B15R2.1922 CN[C@@H]1CCCC[C@H]1OCC2(CO2)C 34a_100000708425_100000760498 [0,0,0,2,0,0|2,0,0]=4 4319 B15R2.1922 CO[C@H]1CCCC[C@@H]1OCC2(CO2)C 34a_200009815850_100000760498 [0,0,0,2,0,0|2,0,0]=4 4320 B15R2.4927 CCC1CCCCC1N2C[C@@H]([C@@H]2C)O 270004a_206633788156_100000757040 [0,0,0,2,0,0|2,0,0]=4 4321 B15R2.4953 CCC1CCCCC1NCC2COC2 269862a_100015281925_100000757040 [0,0,0,2,0,0|2,0,0]=4 4322 B15R2.4953 CCC1CCCCC1NCC2COC2 270004a_100015281925_100000757040 [0,0,0,2,0,0|2,0,0]=4 4323 B15R2.4953 CCC1CCCCC1NC[C@@H]2CCO2 269862a_100020831831_100000757040 [0,0,0,2,0,0|2,0,0]=4 4324 B15R2.4953 CCC1CCCCC1NC[C@@H]2CCO2 270004a_100020831831_100000757040 [0,0,0,2,0,0|2,0,0]=4 4325 B15R2.4953 CCC1CCCCC1OCC2CCC2 34a_100000210738_100000763275 [0,0,0,2,0,0|2,0,0]=4 4326 B15R2.4953 CCC1CCCCC1OCC2CCC2 7a_100000210738_100000763275 [0,0,0,2,0,0|2,0,0]=4 4327 B15R2.4953 CCC1CCCCC1OCC2CCO2 34a_100000210738_100000103362 [0,0,0,2,0,0|1,0,0]=3 4328 B15R2.4953 CCC1CCCCC1OCC2CCO2 7a_100000210738_100000103362 [0,0,0,2,0,0|1,0,0]=3 4329 B15R2.4953 CCC1CCCCC1OCC2COC2 34a_100000210738_100010264016 [0,0,0,2,0,0|1,0,0]=3 4330 B15R2.4953 CCC1CCCCC1OCC2COC2 7a_100000210738_100010264016 [0,0,0,2,0,0|1,0,0]=3 4331 B15R2.4953 CN[C@@H]1CCCC[C@H]1OCC2CCO2 34a_100000708425_100000103362 [0,0,0,2,0,0|2,0,0]=4 4332 B15R2.4953 CN[C@@H]1CCCC[C@H]1OCC2COC2 34a_100000708425_100010264016 [0,0,0,2,0,0|2,0,0]=4 4333 B15R2.4953 CO[C@H]1CCCC[C@@H]1OCC2CCO2 34a_200009815850_100000103362 [0,0,0,2,0,0|2,0,0]=4 4334 B15R2.4953 CO[C@H]1CCCC[C@@H]1OCC2CCO2 7a_200009815850_100000103362 [0,0,0,2,0,0|2,0,0]=4 4335 B15R2.4953 CO[C@H]1CCCC[C@@H]1OCC2COC2 34a_200009815850_100010264016 [0,0,0,2,0,0|2,0,0]=4 4336 B15R2.4953 CO[C@H]1CCCC[C@@H]1OCC2COC2 7a_200009815850_100010264016 [0,0,0,2,0,0|2,0,0]=4 4337 B15R2.4953 NCC1CCCCC1OCC2CCO2 34a_100011216029_100000103362 [0,0,0,2,0,0|2,0,0]=4 4338 B15R2.4953 NCC1CCCCC1OCC2COC2 34a_100011216029_100010264016 [0,0,0,2,0,0|2,0,0]=4 4339 B15R2.8515 CC1CC1COCC2CCCCCC2 34a_100000744939_200000696569 [0,0,0,2,0,0|2,0,0]=4 4340 B15R2.8515 CC1CC1COCC2CCCCCC2 7a_100000744939_200000696569 [0,0,0,2,0,0|2,0,0]=4 4341 B15R2.23095 OCC1CN(C1)CC2CCCCCC2 269982a_100016987283_200000696569 [0,0,0,2,0,0|2,0,0]=4 4342 B15R2.23095 OCC1CN(C1)CC2CCCCCC2 34a_100016987283_200000696569 [0,0,0,2,0,0|2,0,0]=4 4343 B15R2.23368 C1CCCC(CC1)CNCC2CCO2 2230a_100015204231_100000103362 [0,0,0,2,0,0|2,0,0]=4 4344 B15R2.23368 C1CCCC(CC1)CNCC2CCO2 34a_100015204231_100000103362 [0,0,0,2,0,0|2,0,0]=4 4345 B15R2.23368 C1CCCC(CC1)CNCC2COC2 2230a_100015204231_100010264016 [0,0,0,2,0,0|2,0,0]=4 4346 B15R2.23368 C1CCCC(CC1)CNCC2COC2 2230a_100015281925_200000696569 [0,0,0,2,0,0|2,0,0]=4 4347 B15R2.23368 C1CCCC(CC1)CNCC2COC2 269862a_100015281925_200000763224 [0,0,0,2,0,0|2,0,0]=4 4348 B15R2.23368 C1CCCC(CC1)CNCC2COC2 34a_100015204231_100010264016 [0,0,0,2,0,0|2,0,0]=4 4349 B15R2.23368 C1CCCC(CC1)CNCC2COC2 34a_100015281925_200000696569 [0,0,0,2,0,0|2,0,0]=4 4350 B15R2.23368 C1CCCC(CC1)CNC[C@@H]2CCO2 2230a_100020831831_200000696569 [0,0,0,2,0,0|2,0,0]=4 4351 B15R2.23368 C1CCCC(CC1)CNC[C@@H]2CCO2 269862a_100020831831_200000763224 [0,0,0,2,0,0|2,0,0]=4 4352 B15R2.23368 C1CCCC(CC1)CNC[C@@H]2CCO2 34a_100020831831_200000696569 [0,0,0,2,0,0|2,0,0]=4 4353 B15R2.23368 C1CCCC(CC1)COCC2CCC2 34a_100000699130_100000763275 [0,0,0,2,0,0|2,0,0]=4 4354 B15R2.23368 C1CCCC(CC1)COCC2CCC2 34a_100000760304_200000696569 [0,0,0,2,0,0|2,0,0]=4 4355 B15R2.23368 C1CCCC(CC1)COCC2CCC2 7a_100000699130_100000763275 [0,0,0,2,0,0|2,0,0]=4 4356 B15R2.23368 C1CCCC(CC1)COCC2CCO2 34a_100000039022_200000696569 [0,0,0,2,0,0|1,0,0]=3 4357 B15R2.23368 C1CCCC(CC1)COCC2CCO2 34a_100000699130_100000103362 [0,0,0,2,0,0|1,0,0]=3 4358 B15R2.23368 C1CCCC(CC1)COCC2CCO2 7a_100000699130_100000103362 [0,0,0,2,0,0|1,0,0]=3 4359 B15R2.23368 C1CCCC(CC1)COCC2CNC2 34a_100016987283_200000696569 [0,0,0,2,0,0|2,0,0]=4 4360 B15R2.23368 C1CCCC(CC1)COCC2COC2 34a_100000060846_200000696569 [0,0,0,2,0,0|1,0,0]=3 4361 B15R2.23368 C1CCCC(CC1)COCC2COC2 34a_100000699130_100010264016 [0,0,0,2,0,0|1,0,0]=3 4362 B15R2.23368 C1CCCC(CC1)COCC2COC2 7a_100000699130_100010264016 [0,0,0,2,0,0|1,0,0]=3 4363 B15R2.23368 C1CCCC(CC1)CSCC2CCO2 62a_100000103362_200000696569 [0,0,0,2,0,0|1,1,0]=4 4364 B15R2.23368 C1CCCC(CC1)CSCC2CCO2 62a_200000696569_100000103362 [0,0,0,2,0,0|1,1,0]=4 4365 B15R2.23368 C1CCCC(CC1)CSCC2COC2 62a_100010264016_200000696569 [0,0,0,2,0,0|1,1,0]=4 4366 B15R2.23368 C1CCCC(CC1)CSCC2COC2 62a_200000696569_100010264016 [0,0,0,2,0,0|1,1,0]=4 4367 B15R2.43673 CC1(CC1)COCC2CCCCCC2 7a_100000698024_200000696569 [0,0,0,2,0,0|2,0,0]=4 4368 B15R2.43673 CC1(CO1)CNCC2CCCCCC2 34a_100015204231_100000760498 [0,0,0,2,0,0|2,0,0]=4 4369 B15R2.43673 CC1(CO1)COCC2CCCCCC2 34a_100000699130_100000760498 [0,0,0,2,0,0|1,0,0]=3 4370 B15R2.43673 CC1(CO1)CSCC2CCCCCC2 62a_100000760498_200000696569 [0,0,0,2,0,0|1,1,0]=4 4371 B15R2.43673 CC1(CO1)CSCC2CCCCCC2 62a_200000696569_100000760498 [0,0,0,2,0,0|1,1,0]=4 4372 B15R2.43673 FC1(CC1)COCC2CCCCCC2 34a_200000703853_200000696569 [0,0,0,2,0,0|2,0,0]=4 4373 B15R2.43673 FC1(CC1)COCC2CCCCCC2 7a_200000703853_200000696569 [0,0,0,2,0,0|2,0,0]=4 4374 B15R2.43673 OC1(CC1)CNCC2CCCCCC2 2230a_100011936951_200000696569 [0,0,0,2,0,0|2,0,0]=4 4375 B15R2.43673 OC1(CC1)CNCC2CCCCCC2 269862a_100011936951_200000763224 [0,0,0,2,0,0|2,0,0]=4 4376 B15R2.50878 C[C@H]1[C@H](CN1CC2CCCCCC2)O 2230a_206633788156_200000696569 [0,0,0,2,0,0|2,0,0]=4 4377 B15R2.50878 C[C@H]1[C@H](CN1CC2CCCCCC2)O 269982a_206633788156_200000696569 [0,0,0,2,0,0|2,0,0]=4 4378 B15R2.3164 CCC1CCC(N(C1)CC2CCO2)C 2230a_100011219223_100000103362 [0,0,0,2,0,0|2,0,0]=4 4379 B15R2.3164 CCC1CCC(N(C1)CC2CCO2)C 269982a_100011219223_100000103362 [0,0,0,2,0,0|2,0,0]=4 4380 B15R2.3164 CCC1CCC(N(C1)CC2CCO2)C 34a_100011219223_100000103362 [0,0,0,2,0,0|2,0,0]=4 4381 B15R2.3164 CCC1CCC(N(C1)CC2COC2)C 2230a_100011219223_100010264016 [0,0,0,2,0,0|2,0,0]=4 4382 B15R2.3164 CCC1CCC(N(C1)CC2COC2)C 269982a_100011219223_100010264016 [0,0,0,2,0,0|2,0,0]=4 4383 B15R2.3164 CCC1CCC(N(C1)CC2COC2)C 34a_100011219223_100010264016 [0,0,0,2,0,0|2,0,0]=4 4384 B15R2.4579 NC[C@@H]1CC[C@@H](C1)COCC2CCO2 34a_206354213956_100000103362 [0,0,0,2,0,0|2,0,0]=4 4385 B15R2.4579 NC[C@@H]1CC[C@@H](C1)COCC2COC2 34a_206354213956_100010264016 [0,0,0,2,0,0|2,0,0]=4 4386 B15R2.103927 NCC1(CCCC1)COCC2CCO2 34a_100000699429_100000103362 [0,0,0,2,0,0|2,0,0]=4 4387 B15R2.103927 NCC1(CCCC1)COCC2COC2 34a_100000699429_100010264016 [0,0,0,2,0,0|2,0,0]=4 4388 B15R2.4549 CC1(CO1)COC[C@H]2CC[C@H](C2)CN 34a_206354213956_100000760498 [0,0,0,2,0,0|2,0,0]=4 4389 B15R2.5262 CCC1CCC(N(C1)CC2(CO2)C)C 269982a_100011219223_100000760498 [0,0,0,2,0,0|2,0,0]=4 4390 B15R2.5262 CCC1CCC(N(C1)CC2(CO2)C)C 34a_100011219223_100000760498 [0,0,0,2,0,0|2,0,0]=4 4391 B15R2.34151 OCC1(CCCN(CC1)C2CCC2)O 269982a_200015185645_100000749161 [0,0,0,2,0,0|2,0,0]=4 4392 B15R2.34151 OCC1(CCCN(CC1)C2CCC2)O 270004a_200015185645_100000241760 [0,0,0,2,0,0|2,0,0]=4 4393 B15R2.34152 OCC1(CCCN(CC1)CC2CC2)O 2230a_200015185645_100000742324 [0,0,0,2,0,0|2,0,0]=4 4394 B15R2.34152 OCC1(CCCN(CC1)CC2CC2)O 269982a_200015185645_100000756562 [0,0,0,2,0,0|2,0,0]=4 4395 B15R2.103283 CC1(CO1)COCC2(CCCC2)CN 34a_100000699429_100000760498 [0,0,0,2,0,0|2,0,0]=4 4396 B11R0.70 C=CC(O)COC(C)CCCC 34a_100000687866_100000730141 [1,0,0,0,1,0|1,0,1]=4 4397 B11R0.70 C=CC(O)COC(C)CCCC 7a_100000687866_100000730141 [1,0,0,0,1,0|1,0,1]=4 4398 B11R0.70 C=CCCC(C)OCC(O)CO 34a_100000765329_100011219619 [1,0,0,0,1,0|0,0,2]=4 4399 B11R0.70 C=CCCC(C)OCC(O)CO 7a_100000765329_100011219619 [1,0,0,0,1,0|0,0,2]=4 4400 B11R0.70 C=CCCC(C)OC[C@@H](O)CO 34a_100000765329_100009815848 [1,0,0,0,1,0|0,0,2]=4 4401 B11R0.70 C=CCCC(C)OC[C@@H](O)CO 7a_100000765329_100009815848 [1,0,0,0,1,0|0,0,2]=4 4402 B11R0.70 CC(CCCCl)OCC(O)CO 34a_200000718107_100011219619 [1,0,0,0,1,0|1,0,0]=3 4403 B11R0.70 CC(CCCCl)OCC(O)CO 7a_200000718107_100011219619 [1,0,0,0,1,0|1,0,0]=3 4404 B11R0.70 CC(CCCCl)OC[C@@H](C)CO 34a_200000718107_100000059175 [1,0,0,0,1,0|2,0,0]=4 4405 B11R0.70 CC(CCCCl)OC[C@@H](C)CO 7a_200000718107_100000059175 [1,0,0,0,1,0|2,0,0]=4 4406 B11R0.70 CC(CCCCl)OC[C@@H](O)CF 34a_200000718107_100015614560 [1,0,0,0,1,0|2,0,0]=4 4407 B11R0.70 CC(CCCCl)OC[C@@H](O)CF 7a_200000718107_100015614560 [1,0,0,0,1,0|2,0,0]=4 4408 B11R0.70 CC(CCCCl)OC[C@@H](O)CO 34a_200000718107_100009815848 [1,0,0,0,1,0|1,0,0]=3 4409 B11R0.70 CC(CCCCl)OC[C@@H](O)CO 7a_200000718107_100009815848 [1,0,0,0,1,0|1,0,0]=3 4410 B11R0.70 CCC#CC(C)OCC(O)CO 34a_100000033903_100011219619 [1,0,0,0,1,0|0,0,2]=4 4411 B11R0.70 CCC#CC(C)OCC(O)CO 7a_100000033903_100011219619 [1,0,0,0,1,0|0,0,2]=4 4412 B11R0.70 CCC#CC(C)OC[C@@H](O)CO 34a_100000033903_100009815848 [1,0,0,0,1,0|0,0,2]=4 4413 B11R0.70 CCC#CC(C)OC[C@@H](O)CO 7a_100000033903_100009815848 [1,0,0,0,1,0|0,0,2]=4 4414 B11R0.70 CCC(O)COC(C)CCCCl 34a_200000718107_100011218378 [1,0,0,0,1,0|2,0,0]=4 4415 B11R0.70 CCC(O)COC(C)CCCCl 7a_200000718107_100011218378 [1,0,0,0,1,0|2,0,0]=4 4416 B11R0.70 CCCCC(C)COC(C)CC 34a_100011995851_100011215416 [1,0,0,0,1,0|2,0,0]=4 4417 B11R0.70 CCCCC(C)COC(C)CC 7a_100011995851_100000758301 [1,0,0,0,1,0|2,0,0]=4 4418 B11R0.70 CCCCC(C)COC(C)CO 34a_100011995851_100012180447 [1,0,0,0,1,0|1,0,0]=3 4419 B11R0.70 CCCCC(C)COC(C)CO 7a_100011995851_100012180447 [1,0,0,0,1,0|1,0,0]=3 4420 B11R0.70 CCCCC(C)NCC(C)CO 34a_100000744482_200011215066 [1,0,0,0,1,0|2,0,0]=4 4421 B11R0.70 CCCCC(C)NCC(O)CC 2230a_100000126638_100011218378 [1,0,0,0,1,0|2,0,0]=4 4422 B11R0.70 CCCCC(C)NCC(O)CC 2230a_100011218483_200011215066 [1,0,0,0,1,0|2,0,0]=4 4423 B11R0.70 CCCCC(C)NCC(O)CC 270004a_100011218483_100000210087 [1,0,0,0,1,0|2,0,0]=4 4424 B11R0.70 CCCCC(C)NCC(O)CO 2230a_100000126638_100011219619 [1,0,0,0,1,0|1,0,0]=3 4425 B11R0.70 CCCCC(C)NC[C@@H](C)CO 2230a_100000126638_100000059175 [1,0,0,0,1,0|2,0,0]=4 4426 B11R0.70 CCCCC(C)NC[C@@H](F)CO 270004a_100015665980_100000210087 [1,0,0,0,1,0|2,0,0]=4 4427 B11R0.70 CCCCC(C)NC[C@@H](F)CO 34a_100015665980_200011215066 [1,0,0,0,1,0|2,0,0]=4 4428 B11R0.70 CCCCC(C)NC[C@@H](O)CF 2230a_100000126638_100015614560 [1,0,0,0,1,0|2,0,0]=4 4429 B11R0.70 CCCCC(C)NC[C@@H](O)CO 2230a_100000126638_100009815848 [1,0,0,0,1,0|1,0,0]=3 4430 B11R0.70 CCCCC(C)NC[C@H](O)CO 2230a_100020644852_200011215066 [1,0,0,0,1,0|1,0,0]=3 4431 B11R0.70 CCCCC(C)OCC(C)CC 34a_100000687866_100000748023 [1,0,0,0,1,0|2,0,0]=4 4432 B11R0.70 CCCCC(C)OCC(C)CC 7a_100000687866_100000748023 [1,0,0,0,1,0|2,0,0]=4 4433 B11R0.70 CCCCC(C)OCC(C)CN 34a_100000744482_200011215066 [1,0,0,0,1,0|2,0,0]=4 4434 B11R0.70 CCCCC(C)OCC(Cl)CCl 34a_100000033668_200011215066 [1,0,0,0,1,0|2,0,0]=4 4435 B11R0.70 CCCCC(C)OCC(O)CC 34a_100000687866_100011218378 [1,0,0,0,1,0|1,0,0]=3 4436 B11R0.70 CCCCC(C)OCC(O)CC 7a_100000687866_100011218378 [1,0,0,0,1,0|1,0,0]=3 4437 B11R0.70 CCCCC(C)OCC(O)CO 34a_100000687866_100011219619 [1,0,0,0,1,0|0,0,0]=2 4438 B11R0.70 CCCCC(C)OCC(O)CO 7a_100000687866_100011219619 [1,0,0,0,1,0|0,0,0]=2 4439 B11R0.70 CCCCC(C)OC[C@@H](C)CC 34a_100000687866_100009816398 [1,0,0,0,1,0|2,0,0]=4 4440 B11R0.70 CCCCC(C)OC[C@@H](C)CC 7a_100000687866_100009816398 [1,0,0,0,1,0|2,0,0]=4 4441 B11R0.70 CCCCC(C)OC[C@@H](C)CC 7a_100009816381_200011215066 [1,0,0,0,1,0|2,0,0]=4 4442 B11R0.70 CCCCC(C)OC[C@@H](C)CO 34a_100000687866_100000059175 [1,0,0,0,1,0|1,0,0]=3 4443 B11R0.70 CCCCC(C)OC[C@@H](C)CO 7a_100000687866_100000059175 [1,0,0,0,1,0|1,0,0]=3 4444 B11R0.70 CCCCC(C)OC[C@@H](O)CF 34a_100000687866_100015614560 [1,0,0,0,1,0|1,0,0]=3 4445 B11R0.70 CCCCC(C)OC[C@@H](O)CF 7a_100000687866_100015614560 [1,0,0,0,1,0|1,0,0]=3 4446 B11R0.70 CCCCC(C)OC[C@@H](O)CO 34a_100000687866_100009815848 [1,0,0,0,1,0|0,0,0]=2 4447 B11R0.70 CCCCC(C)OC[C@@H](O)CO 7a_100000687866_100009815848 [1,0,0,0,1,0|0,0,0]=2 4448 B11R0.70 CCCCC(C)OC[C@H](F)CN 34a_100015665980_200011215066 [1,0,0,0,1,0|2,0,0]=4 4449 B11R0.70 CCCCC(C)SCC(O)CC 62a_100011218378_200011215066 [1,0,0,0,1,0|1,1,0]=4 4450 B11R0.70 CCCCC(C)SCC(O)CC 62a_200011215066_100011218378 [1,0,0,0,1,0|1,1,0]=4 4451 B11R0.70 CCCCC(C)SCC(O)CO 62a_100011219619_200011215066 [1,0,0,0,1,0|0,1,0]=3 4452 B11R0.70 CCCCC(C)SCC(O)CO 62a_200011215066_100011219619 [1,0,0,0,1,0|0,1,0]=3 4453 B11R0.70 CCCCC(C)SC[C@@H](C)CO 62a_100000059175_200011215066 [1,0,0,0,1,0|1,1,0]=4 4454 B11R0.70 CCCCC(C)SC[C@@H](C)CO 62a_200011215066_100000059175 [1,0,0,0,1,0|1,1,0]=4 4455 B11R0.70 CCCCC(C)SC[C@@H](O)CF 62a_100015614560_200011215066 [1,0,0,0,1,0|1,1,0]=4 4456 B11R0.70 CCCCC(C)SC[C@@H](O)CF 62a_200011215066_100015614560 [1,0,0,0,1,0|1,1,0]=4 4457 B11R0.70 CCCCC(C)SC[C@@H](O)CO 62a_100009815848_200011215066 [1,0,0,0,1,0|0,1,0]=3 4458 B11R0.70 CCCCC(C)SC[C@@H](O)CO 62a_200011215066_100009815848 [1,0,0,0,1,0|0,1,0]=3 4459 B11R0.70 CCCC[C@H](N)COC(C)CO 34a_100011934283_100012180447 [1,0,0,0,1,0|2,0,0]=4 4460 B11R0.70 CCOCC(C)OCC(O)CC 34a_100000718985_100011218378 [1,0,0,0,1,0|2,0,0]=4 4461 B11R0.70 CCOCC(C)OCC(O)CC 7a_100000718985_100011218378 [1,0,0,0,1,0|2,0,0]=4 4462 B11R0.70 CCOCC(C)OCC(O)CO 34a_100000718985_100011219619 [1,0,0,0,1,0|1,0,0]=3 4463 B11R0.70 CCOCC(C)OCC(O)CO 7a_100000718985_100011219619 [1,0,0,0,1,0|1,0,0]=3 4464 B11R0.70 CCOCC(C)OC[C@@H](C)CO 34a_100000718985_100000059175 [1,0,0,0,1,0|2,0,0]=4 4465 B11R0.70 CCOCC(C)OC[C@@H](C)CO 7a_100000718985_100000059175 [1,0,0,0,1,0|2,0,0]=4 4466 B11R0.70 CCOCC(C)OC[C@@H](O)CF 34a_100000718985_100015614560 [1,0,0,0,1,0|2,0,0]=4 4467 B11R0.70 CCOCC(C)OC[C@@H](O)CF 7a_100000718985_100015614560 [1,0,0,0,1,0|2,0,0]=4 4468 B11R0.70 CCOCC(C)OC[C@@H](O)CO 34a_100000718985_100009815848 [1,0,0,0,1,0|1,0,0]=3 4469 B11R0.70 CCOCC(C)OC[C@@H](O)CO 7a_100000718985_100009815848 [1,0,0,0,1,0|1,0,0]=3 4470 B11R0.134 C#CC(CCC)OCC(O)CO 34a_200011217317_100011219619 [1,0,0,0,1,0|0,0,2]=4 4471 B11R0.134 C#CC(CCC)OCC(O)CO 7a_200011217317_100011219619 [1,0,0,0,1,0|0,0,2]=4 4472 B11R0.134 C#CC(CCC)OC[C@@H](O)CO 34a_200011217317_100009815848 [1,0,0,0,1,0|0,0,2]=4 4473 B11R0.134 C#CC(CCC)OC[C@@H](O)CO 7a_200011217317_100009815848 [1,0,0,0,1,0|0,0,2]=4 4474 B11R0.134 C#CCC(CC)OCC(O)CO 34a_200011217983_100011219619 [1,0,0,0,1,0|0,0,2]=4 4475 B11R0.134 C#CCC(CC)OCC(O)CO 7a_200011217983_100011219619 [1,0,0,0,1,0|0,0,2]=4 4476 B11R0.134 C#CCC(CC)OC[C@@H](O)CO 34a_200011217983_100009815848 [1,0,0,0,1,0|0,0,2]=4 4477 B11R0.134 C#CCC(CC)OC[C@@H](O)CO 7a_200011217983_100009815848 [1,0,0,0,1,0|0,0,2]=4 4478 B11R0.134 C=CC(CCC)OCC(O)CO 34a_100011216692_100011219619 [1,0,0,0,1,0|0,0,2]=4 4479 B11R0.134 C=CC(CCC)OCC(O)CO 7a_100011216692_100011219619 [1,0,0,0,1,0|0,0,2]=4 4480 B11R0.134 C=CC(CCC)OC[C@@H](O)CO 34a_100011216692_100009815848 [1,0,0,0,1,0|0,0,2]=4 4481 B11R0.134 C=CC(CCC)OC[C@@H](O)CO 7a_100011216692_100009815848 [1,0,0,0,1,0|0,0,2]=4 4482 B11R0.134 C=CC(O)COC(CC)CCC 34a_100000687864_100000730141 [1,0,0,0,1,0|1,0,1]=4 4483 B11R0.134 C=CC(O)COC(CC)CCC 7a_100000687864_100000730141 [1,0,0,0,1,0|1,0,1]=4 4484 B11R0.134 CC#CC(CC)OCC(O)CO 34a_200011219922_100011219619 [1,0,0,0,1,0|0,0,2]=4 4485 B11R0.134 CC#CC(CC)OCC(O)CO 7a_200011219922_100011219619 [1,0,0,0,1,0|0,0,2]=4 4486 B11R0.134 CC#CC(CC)OC[C@@H](O)CO 34a_200011219922_100009815848 [1,0,0,0,1,0|0,0,2]=4 4487 B11R0.134 CC#CC(CC)OC[C@@H](O)CO 7a_200011219922_100009815848 [1,0,0,0,1,0|0,0,2]=4 4488 B11R0.134 CCC(COC)NCC(O)CO 2230a_100000757820_100011219619 [1,0,0,0,1,0|2,0,0]=4 4489 B11R0.134 CCC(COC)NC[C@@H](O)CO 2230a_100000757820_100009815848 [1,0,0,0,1,0|2,0,0]=4 4490 B11R0.134 CCC(COC)OCC(O)CO 7a_200011214946_100011219619 [1,0,0,0,1,0|1,0,0]=3 4491 B11R0.134 CCC(COC)OC[C@@H](C)CO 7a_200011214946_100000059175 [1,0,0,0,1,0|2,0,0]=4 4492 B11R0.134 CCC(COC)OC[C@@H](O)CF 7a_200011214946_100015614560 [1,0,0,0,1,0|2,0,0]=4 4493 B11R0.134 CCC(COC)OC[C@@H](O)CO 7a_200011214946_100009815848 [1,0,0,0,1,0|1,0,0]=3 4494 B11R0.134 CCC(O)COC(CC)COC 7a_200011214946_100011218378 [1,0,0,0,1,0|2,0,0]=4 4495 B11R0.134 CCCC(C#N)OCC(O)CO 34a_100000686963_100011219619 [1,0,0,0,1,0|1,0,1]=4 4496 B11R0.134 CCCC(C#N)OCC(O)CO 7a_100000686963_100011219619 [1,0,0,0,1,0|1,0,1]=4 4497 B11R0.134 CCCC(C#N)OC[C@@H](O)CO 34a_100000686963_100009815848 [1,0,0,0,1,0|1,0,1]=4 4498 B11R0.134 CCCC(C#N)OC[C@@H](O)CO 7a_100000686963_100009815848 [1,0,0,0,1,0|1,0,1]=4 4499 B11R0.134 CCCC(CC)NCC(O)CC 2230a_100000747048_100011218378 [1,0,0,0,1,0|2,0,0]=4 4500 B11R0.134 CCCC(CC)NCC(O)CC 270004a_100011218483_100000687865 [1,0,0,0,1,0|2,0,0]=4 4501 B11R0.134 CCCC(CC)NCC(O)CO 2230a_100000747048_100011219619 [1,0,0,0,1,0|1,0,0]=3 4502 B11R0.134 CCCC(CC)NC[C@@H](C)CO 2230a_100000747048_100000059175 [1,0,0,0,1,0|2,0,0]=4 4503 B11R0.134 CCCC(CC)NC[C@@H](F)CO 270004a_100015665980_100000687865 [1,0,0,0,1,0|2,0,0]=4 4504 B11R0.134 CCCC(CC)NC[C@@H](O)CF 2230a_100000747048_100015614560 [1,0,0,0,1,0|2,0,0]=4 4505 B11R0.134 CCCC(CC)NC[C@@H](O)CO 2230a_100000747048_100009815848 [1,0,0,0,1,0|1,0,0]=3 4506 B11R0.134 CCCC(CC)OCC(C)CC 34a_100000687864_100000748023 [1,0,0,0,1,0|2,0,0]=4 4507 B11R0.134 CCCC(CC)OCC(C)CC 7a_100000687864_100000748023 [1,0,0,0,1,0|2,0,0]=4 4508 B11R0.134 CCCC(CC)OCC(O)CC 34a_100000687864_100011218378 [1,0,0,0,1,0|1,0,0]=3 4509 B11R0.134 CCCC(CC)OCC(O)CC 7a_100000687864_100011218378 [1,0,0,0,1,0|1,0,0]=3 4510 B11R0.134 CCCC(CC)OCC(O)CO 34a_100000687864_100011219619 [1,0,0,0,1,0|0,0,0]=2 4511 B11R0.134 CCCC(CC)OCC(O)CO 7a_100000687864_100011219619 [1,0,0,0,1,0|0,0,0]=2 4512 B11R0.134 CCCC(CC)OC[C@@H](C)CC 34a_100000687864_100009816398 [1,0,0,0,1,0|2,0,0]=4 4513 B11R0.134 CCCC(CC)OC[C@@H](C)CC 7a_100000687864_100009816398 [1,0,0,0,1,0|2,0,0]=4 4514 B11R0.134 CCCC(CC)OC[C@@H](C)CC 7a_100009816381_100011219200 [1,0,0,0,1,0|2,0,0]=4 4515 B11R0.134 CCCC(CC)OC[C@@H](C)CO 34a_100000687864_100000059175 [1,0,0,0,1,0|1,0,0]=3 4516 B11R0.134 CCCC(CC)OC[C@@H](C)CO 7a_100000687864_100000059175 [1,0,0,0,1,0|1,0,0]=3 4517 B11R0.134 CCCC(CC)OC[C@@H](O)CF 34a_100000687864_100015614560 [1,0,0,0,1,0|1,0,0]=3 4518 B11R0.134 CCCC(CC)OC[C@@H](O)CF 7a_100000687864_100015614560 [1,0,0,0,1,0|1,0,0]=3 4519 B11R0.134 CCCC(CC)OC[C@@H](O)CO 34a_100000687864_100009815848 [1,0,0,0,1,0|0,0,0]=2 4520 B11R0.134 CCCC(CC)OC[C@@H](O)CO 7a_100000687864_100009815848 [1,0,0,0,1,0|0,0,0]=2 4521 B11R0.134 CCCC(CC)SCC(O)CC 62a_100011218378_100011219200 [1,0,0,0,1,0|1,1,0]=4 4522 B11R0.134 CCCC(CC)SCC(O)CC 62a_100011219200_100011218378 [1,0,0,0,1,0|1,1,0]=4 4523 B11R0.134 CCCC(CC)SCC(O)CO 62a_100011219200_100011219619 [1,0,0,0,1,0|0,1,0]=3 4524 B11R0.134 CCCC(CC)SCC(O)CO 62a_100011219619_100011219200 [1,0,0,0,1,0|0,1,0]=3 4525 B11R0.134 CCCC(CC)SC[C@@H](C)CO 62a_100000059175_100011219200 [1,0,0,0,1,0|1,1,0]=4 4526 B11R0.134 CCCC(CC)SC[C@@H](C)CO 62a_100011219200_100000059175 [1,0,0,0,1,0|1,1,0]=4 4527 B11R0.134 CCCC(CC)SC[C@@H](O)CF 62a_100011219200_100015614560 [1,0,0,0,1,0|1,1,0]=4 4528 B11R0.134 CCCC(CC)SC[C@@H](O)CF 62a_100015614560_100011219200 [1,0,0,0,1,0|1,1,0]=4 4529 B11R0.134 CCCC(CC)SC[C@@H](O)CO 62a_100009815848_100011219200 [1,0,0,0,1,0|0,1,0]=3 4530 B11R0.134 CCCC(CC)SC[C@@H](O)CO 62a_100011219200_100009815848 [1,0,0,0,1,0|0,1,0]=3 4531 B11R0.134 CCC[C@@H](CO)NCC(O)CO 2230a_100000732646_100011219619 [1,0,0,0,1,0|2,0,0]=4 4532 B11R0.134 CCC[C@@H](CO)NCC(O)CO 34a_100000732646_100011219619 [1,0,0,0,1,0|2,0,0]=4 4533 B11R0.134 CCC[C@@H](CO)NC[C@@H](O)CO 2230a_100000732646_100009815848 [1,0,0,0,1,0|2,0,0]=4 4534 B11R0.134 CCC[C@@H](CO)NC[C@@H](O)CO 34a_100000732646_100009815848 [1,0,0,0,1,0|2,0,0]=4 4535 B11R0.134 COCC(CCl)OCC(O)CO 34a_100011215053_100011219619 [1,0,0,0,1,0|2,0,0]=4 4536 B11R0.134 COCC(CCl)OC[C@@H](O)CO 34a_100011215053_100009815848 [1,0,0,0,1,0|2,0,0]=4 4537 B11R0.134 COCC(CN)OCC(O)CO 34a_100000756049_100011219619 [1,0,0,0,1,0|2,0,0]=4 4538 B11R0.134 COCC(CN)OC[C@@H](O)CO 34a_100000756049_100009815848 [1,0,0,0,1,0|2,0,0]=4 4539 B11R0.164 C#CC(CCCC)OCC(C)O 34a_200011217967_100011218427 [1,0,0,0,1,0|0,0,2]=4 4540 B11R0.164 C#CC(CCCC)OCC(C)O 7a_200011217967_100011218427 [1,0,0,0,1,0|0,0,2]=4 4541 B11R0.164 C#CC(CCCC)OC[C@@H](C)O 34a_200011217967_100009817552 [1,0,0,0,1,0|0,0,2]=4 4542 B11R0.164 C#CC(CCCC)OC[C@@H](C)O 7a_200011217967_100009817552 [1,0,0,0,1,0|0,0,2]=4 4543 B11R0.164 C=C(C)COC(CC)CCCC 34a_100000210245_200011216223 [1,0,0,0,1,0|1,0,1]=4 4544 B11R0.164 C=C(C)COC(CC)CCCC 34a_100011215227_100000748629 [1,0,0,0,1,0|1,0,1]=4 4545 B11R0.164 C=C(C)COC(CC)CCCC 7a_100011215227_100000748629 [1,0,0,0,1,0|1,0,1]=4 4546 B11R0.164 C=CC(CCCC)OCC(C)O 34a_200011215037_100011218427 [1,0,0,0,1,0|0,0,2]=4 4547 B11R0.164 C=CC(CCCC)OCC(C)O 7a_200011215037_100011218427 [1,0,0,0,1,0|0,0,2]=4 4548 B11R0.164 C=CC(CCCC)OC[C@@H](C)O 34a_200011215037_100009817552 [1,0,0,0,1,0|0,0,2]=4 4549 B11R0.164 C=CC(CCCC)OC[C@@H](C)O 7a_200011215037_100009817552 [1,0,0,0,1,0|0,0,2]=4 4550 B11R0.164 CCCCC(CC)CCC(=O)C 1458a_100011216959_200000210301 [1,0,0,0,1,0|0,0,2]=4 4551 B11R0.164 CCCCC(CC)CCC(=O)[13CH3] 1458a_100011216959_200025704644 [1,0,0,0,1,0|0,0,2]=4 4552 B11R0.164 CCCCC(CC)CNC(C)C 2230a_100000209976_100000210206 [1,0,0,0,1,0|2,0,0]=4 4553 B11R0.164 CCCCC(CC)CNC(C)C 2230a_100138425928_100000211942 [1,0,0,0,1,0|2,0,0]=4 4554 B11R0.164 CCCCC(CC)CNC(C)C 34a_100138425928_100000211942 [1,0,0,0,1,0|2,0,0]=4 4555 B11R0.164 CCCCC(CC)COC(C)C 34a_100000210273_100000210206 [1,0,0,0,1,0|1,0,0]=3 4556 B11R0.164 CCCCC(CC)COC(C)C 34a_100000212225_100000211942 [1,0,0,0,1,0|1,0,0]=3 4557 B11R0.164 CCCCC(CC)COC(C)C 7a_100000210273_100000210206 [1,0,0,0,1,0|1,0,0]=3 4558 B11R0.164 CCCCC(CC)CSC(C)C 62a_100000210206_100000211942 [1,0,0,0,1,0|1,1,0]=4 4559 B11R0.164 CCCCC(CC)CSC(C)C 62a_100000211942_100000210206 [1,0,0,0,1,0|1,1,0]=4 4560 B11R0.164 CCCCC(CC)NCC(C)C 270004a_100000210953_100000753412 [1,0,0,0,1,0|2,0,0]=4 4561 B11R0.164 CCCCC(CC)NCC(C)C 34a_100000210953_200011216223 [1,0,0,0,1,0|2,0,0]=4 4562 B11R0.164 CCCCC(CC)NCC(C)O 270004a_100000210904_100000753412 [1,0,0,0,1,0|1,0,0]=3 4563 B11R0.164 CCCCC(CC)NCC(C)O 34a_100000210904_200011216223 [1,0,0,0,1,0|1,0,0]=3 4564 B11R0.164 CCCCC(CC)OCC(=O)C 34a_100000211253_200011216223 [1,0,0,0,1,0|0,0,2]=4 4565 B11R0.164 CCCCC(CC)OCC(C)Br 34a_100012180447_200011216223 [1,0,0,0,1,0|1,0,0]=3 4566 B11R0.164 CCCCC(CC)OCC(C)C 34a_100000210257_200011216223 [1,0,0,0,1,0|1,0,0]=3 4567 B11R0.164 CCCCC(CC)OCC(C)C 34a_100011215227_100000210624 [1,0,0,0,1,0|1,0,0]=3 4568 B11R0.164 CCCCC(CC)OCC(C)C 7a_100011215227_100000210760 [1,0,0,0,1,0|1,0,0]=3 4569 B11R0.164 CCCCC(CC)OCC(C)F 34a_100015925927_200011216223 [1,0,0,0,1,0|1,0,0]=3 4570 B11R0.164 CCCCC(CC)OCC(C)O 34a_100011215227_100011218427 [1,0,0,0,1,0|0,0,0]=2 4571 B11R0.164 CCCCC(CC)OCC(C)O 7a_100011215227_100011218427 [1,0,0,0,1,0|0,0,0]=2 4572 B11R0.164 CCCCC(CC)OCC(F)F 34a_100000743014_200011216223 [1,0,0,0,1,0|2,0,0]=4 4573 B11R0.164 CCCCC(CC)OCC(F)F 34a_100011215227_100011934356 [1,0,0,0,1,0|2,0,0]=4 4574 B11R0.164 CCCCC(CC)OCC(F)F 7a_100011215227_100011934356 [1,0,0,0,1,0|2,0,0]=4 4575 B11R0.164 CCCCC(CC)OC[C@@H](C)Cl 34a_100016084084_200011216223 [1,0,0,0,1,0|1,0,0]=3 4576 B11R0.164 CCCCC(CC)OC[C@@H](C)N 34a_100000737577_200011216223 [1,0,0,0,1,0|1,0,0]=3 4577 B11R0.164 CCCCC(CC)OC[C@@H](C)O 34a_100011215227_100009817552 [1,0,0,0,1,0|0,0,0]=2 4578 B11R0.164 CCCCC(CC)OC[C@@H](C)O 7a_100011215227_100009817552 [1,0,0,0,1,0|0,0,0]=2 4579 B11R0.164 CCCCC(CC)SCC(C)C 62a_100000210624_200011216223 [1,0,0,0,1,0|1,1,0]=4 4580 B11R0.164 CCCCC(CC)SCC(C)C 62a_200011216223_100000210760 [1,0,0,0,1,0|1,1,0]=4 4581 B11R0.164 CCCCC(CC)SCC(C)O 62a_100011218427_200011216223 [1,0,0,0,1,0|0,1,0]=3 4582 B11R0.164 CCCCC(CC)SCC(C)O 62a_200011216223_100011218427 [1,0,0,0,1,0|0,1,0]=3 4583 B11R0.164 CCCCC(CC)SC[C@@H](C)O 62a_100009817552_200011216223 [1,0,0,0,1,0|0,1,0]=3 4584 B11R0.164 CCCCC(CC)SC[C@@H](C)O 62a_200011216223_100009817552 [1,0,0,0,1,0|0,1,0]=3 4585 B11R0.164 CCCCN(CC)CCC(C)C 2230a_100000207693_100000210211 [1,0,0,0,1,0|2,0,0]=4 4586 B11R0.164 CCCCN(CC)CCC(C)C 2230a_100000207695_100000210312 [1,0,0,0,1,0|2,0,0]=4 4587 B11R0.164 CCCCN(CC)CCC(C)C 269982a_100000207693_100000210211 [1,0,0,0,1,0|2,0,0]=4 4588 B11R0.164 CCCCN(CC)CCC(C)C 269982a_100000207695_100000210312 [1,0,0,0,1,0|2,0,0]=4 4589 B11R0.164 CCCCN(CC)CCC(C)O 2230a_100000207695_100012276601 [1,0,0,0,1,0|1,0,0]=3 4590 B11R0.164 CCCCN(CC)CCC(C)O 269982a_100000207695_100012276601 [1,0,0,0,1,0|1,0,0]=3 4591 B11R0.164 CCCCN(CC)COC(C)C 2230a_100000207695_100000709892 [1,0,0,0,1,0|2,0,0]=4 4592 B11R0.164 CCCCN(CC)COC(C)C 269982a_100000207695_100000709892 [1,0,0,0,1,0|2,0,0]=4 4593 B11R0.164 CCCC[C@@H](CO)NCC(C)O 2230a_100011934283_100011218427 [1,0,0,0,1,0|2,0,0]=4 4594 B11R0.164 CCCC[C@@H](CO)NCC(C)O 34a_100011934283_100011218427 [1,0,0,0,1,0|2,0,0]=4 4595 B11R0.164 CCCC[C@@H](CO)NC[C@@H](C)O 2230a_100011934283_100009817552 [1,0,0,0,1,0|2,0,0]=4 4596 B11R0.164 CCCC[C@@H](CO)NC[C@@H](C)O 34a_100011934283_100009817552 [1,0,0,0,1,0|2,0,0]=4 4597 B11R0.164 CCCOC(CC)CCC(C)C 34a_100011216567_100000210303 [1,0,0,0,1,0|2,0,0]=4 4598 B11R0.164 CCCOC(CC)CCC(C)C 7a_100011216567_100000210303 [1,0,0,0,1,0|2,0,0]=4 4599 B11R0.164 CCN(CCOC)CCC(C)O 2230a_100000731262_100012276601 [1,0,0,0,1,0|2,0,0]=4 4600 B11R0.164 CCN(CCOC)CCC(C)O 269982a_100000731262_100012276601 [1,0,0,0,1,0|2,0,0]=4 4601 B11R0.164 CCOCC(CN)OCC(C)O 34a_102515437182_100011218427 [1,0,0,0,1,0|2,0,0]=4 4602 B11R0.164 CCOCC(CN)OC[C@@H](C)O 34a_102515437182_100009817552 [1,0,0,0,1,0|2,0,0]=4 4603 B11R0.166 CCCCC(CC)CC(=O)CO 1458a_100000210174_100000211942 [0,0,0,0,2,0|0,0,2]=4 4604 B11R0.166 CCCCC(CC)N[C@H](C)CO 270004a_100000737577_100000753412 [0,0,0,0,2,0|2,0,0]=4 4605 B11R0.166 CCCCC(CC)OC(C)CC 34a_100011215227_100011215416 [0,0,0,0,2,0|2,0,0]=4 4606 B11R0.166 CCCCC(CC)OC(C)CC 7a_100000210228_200011216223 [0,0,0,0,2,0|2,0,0]=4 4607 B11R0.166 CCCCC(CC)OC(C)CC 7a_100011215227_100000758301 [0,0,0,0,2,0|2,0,0]=4 4608 B11R0.166 CCCCC(CC)OC(C)CF 34a_100016041109_200011216223 [0,0,0,0,2,0|2,0,0]=4 4609 B11R0.166 CCCCC(CC)OC(C)CF 7a_100016041109_200011216223 [0,0,0,0,2,0|2,0,0]=4 4610 B11R0.166 CCCCC(CC)OC(C)CN 34a_100000210904_200011216223 [0,0,0,0,2,0|2,0,0]=4 4611 B11R0.166 CCCCC(CC)OC(C)CO 34a_100011215227_100012180447 [0,0,0,0,2,0|1,0,0]=3 4612 B11R0.166 CCCCC(CC)OC(C)CO 7a_100011215227_100012180447 [0,0,0,0,2,0|1,0,0]=3 4613 B11R0.166 CCCCC(CC)SC(C)CO 62a_100012180447_200011216223 [0,0,0,0,2,0|1,1,0]=4 4614 B11R0.166 CCCCC(CC)S[C@H](C)CO 62a_100016084084_200011216223 [0,0,0,0,2,0|1,1,0]=4 4615 B11R0.166 CCCCC(CC)S[C@H](C)CO 62a_200011216223_100016084084 [0,0,0,0,2,0|1,1,0]=4 4616 B11R0.166 CCCCN(CC)CC(O)CC 2230a_100000207695_100011218378 [0,0,0,0,2,0|2,0,0]=4 4617 B11R0.166 CCCCN(CC)CC(O)CC 2230a_100011365200_100000210211 [0,0,0,0,2,0|2,0,0]=4 4618 B11R0.166 CCCCN(CC)CC(O)CC 269982a_100000207695_100011218378 [0,0,0,0,2,0|2,0,0]=4 4619 B11R0.166 CCCCN(CC)CC(O)CC 269982a_100011365200_100000210211 [0,0,0,0,2,0|2,0,0]=4 4620 B11R0.166 CCCCN(CC)CC(O)CO 2230a_100000207695_100011219619 [0,0,0,0,2,0|1,0,0]=3 4621 B11R0.166 CCCCN(CC)C[C@@H](C)CO 2230a_100000207695_100000059175 [0,0,0,0,2,0|2,0,0]=4 4622 B11R0.166 CCCCN(CC)C[C@@H](C)CO 269982a_100000207695_100000059175 [0,0,0,0,2,0|2,0,0]=4 4623 B11R0.166 CCCCN(CC)C[C@@H](O)CF 2230a_100000207695_100015614560 [0,0,0,0,2,0|2,0,0]=4 4624 B11R0.166 CCCCN(CC)C[C@@H](O)CO 2230a_100000207695_100009815848 [0,0,0,0,2,0|1,0,0]=3 4625 B11R0.166 CCN(CCOC)CC(O)CO 2230a_100000731262_100011219619 [0,0,0,0,2,0|2,0,0]=4 4626 B11R0.166 CCN(CCOC)C[C@@H](O)CO 2230a_100000731262_100009815848 [0,0,0,0,2,0|2,0,0]=4 4627 B13R0.308 CCCC(CCOCC(O)CC)SC 34a_100000032865_100011218378 [1,0,0,0,0,1|2,0,0]=4 4628 B13R0.308 CCCC(CCOCC(O)CC)SC 7a_100000032865_100011218378 [1,0,0,0,0,1|2,0,0]=4 4629 B13R0.308 CCCC(CCOCC(O)CO)SC 34a_100000032865_100011219619 [1,0,0,0,0,1|1,0,0]=3 4630 B13R0.308 CCCC(CCOCC(O)CO)SC 7a_100000032865_100011219619 [1,0,0,0,0,1|1,0,0]=3 4631 B13R0.308 CCCC(CCOC[C@@H](C)CO)SC 34a_100000032865_100000059175 [1,0,0,0,0,1|2,0,0]=4 4632 B13R0.308 CCCC(CCOC[C@@H](C)CO)SC 7a_100000032865_100000059175 [1,0,0,0,0,1|2,0,0]=4 4633 B13R0.308 CCCC(CCOC[C@@H](O)CF)SC 34a_100000032865_100015614560 [1,0,0,0,0,1|2,0,0]=4 4634 B13R0.308 CCCC(CCOC[C@@H](O)CF)SC 7a_100000032865_100015614560 [1,0,0,0,0,1|2,0,0]=4 4635 B13R0.308 CCCC(CCOC[C@@H](O)CO)SC 34a_100000032865_100009815848 [1,0,0,0,0,1|1,0,0]=3 4636 B13R0.308 CCCC(CCOC[C@@H](O)CO)SC 7a_100000032865_100009815848 [1,0,0,0,0,1|1,0,0]=3 4637 B15R0.344 CCCCC(CC)CCCCN[C@H](C)CO 2230a_100000737577_200012094884 [0,0,0,0,0,2|2,0,0]=4 4638 B15R0.344 CCCCC(CC)CCCCSC(C)CO 62a_100012180447_200012094884 [0,0,0,0,0,2|2,0,0]=4 4639 B15R0.344 CCCCC(CC)CCCCS[C@H](C)CO 62a_100016084084_200012094884 [0,0,0,0,0,2|2,0,0]=4 4640 B15R0.344 CCCCC(CC)CCCCS[C@H](C)CO 62a_200012094884_100016084084 [0,0,0,0,0,2|2,0,0]=4 4641 B15R0.344 CCCCC(CC)COCCC[C@@H](C)CN 34a_100160569302_100000211942 [0,0,0,0,0,2|2,0,0]=4