0 B11R0.77 C#CC(CCCCC)OC(C)C 34a_100011216489_100000210206 [0,0,0,0,0,0|1,0,3]=4 1 B11R0.77 C#CC(CCCCC)OC(C)C 7a_100011216489_100000210206 [0,0,0,0,0,0|1,0,3]=4 2 B11R0.77 C=CC(CC(C)C)OCCCC 34a_100012186643_100000210210 [0,0,0,0,0,0|3,0,1]=4 3 B11R0.77 C=CC(CC(C)C)OCCCC 7a_100012186643_100000210211 [0,0,0,0,0,0|3,0,1]=4 4 B11R0.77 C=CC(CCCCC)OC(C)C 34a_100011216863_100000210206 [0,0,0,0,0,0|1,0,1]=2 5 B11R0.77 C=CC(CCCCC)OC(C)C 7a_100011216863_100000210206 [0,0,0,0,0,0|1,0,1]=2 6 B11R0.77 CCCCCC(CC)OC(C)C 34a_100011215405_100000210206 [0,0,0,0,0,0|1,0,3]=4 7 B11R0.77 CCCCCC(CC)OC(C)C 7a_100011215405_100000210206 [0,0,0,0,0,0|1,0,3]=4 8 B10R0.6 CC(=O)OC(C)SCCCF 62a_100009818208_100011934791 [1,0,0,0,0,0|2,0,1]=4 9 B10R0.6 CC(=O)OC(C)SCCCF 62a_100011934791_100009818208 [1,0,0,0,0,0|2,0,1]=4 10 B10R0.6 CC(=O)OC(C)SCCCO 62a_100009818208_100011215043 [1,0,0,0,0,0|2,0,1]=4 11 B10R0.6 CC(=O)OC(C)SCCCO 62a_100011215043_100009818208 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [1,0,0,0,0,0|2,0,1]=4 13 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [1,0,0,0,0,0|1,0,1]=3 14 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [1,0,0,0,0,0|1,0,1]=3 15 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [1,0,0,0,0,0|1,0,1]=3 16 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [1,0,0,0,0,0|1,0,1]=3 17 B10R0.6 CCCCCC(C)OC(C)C 34a_100000212225_200011218191 [1,0,0,0,0,0|1,0,2]=4 18 B10R0.6 CCCCCC(C)OC(C)C 34a_100011215632_100000210206 [1,0,0,0,0,0|1,0,2]=4 19 B10R0.6 CCCCCC(C)OC(C)C 7a_100011215632_100000210206 [1,0,0,0,0,0|1,0,2]=4 20 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [1,0,0,0,0,0|1,0,1]=3 21 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [1,0,0,0,0,0|1,0,1]=3 22 B10R0.6 CCOCSC(C)OC(=O)C 62a_100000739092_100009818208 [1,0,0,0,0,0|2,0,1]=4 23 B10R0.6 CCOCSC(C)OC(=O)C 62a_100009818208_100000739092 [1,0,0,0,0,0|2,0,1]=4 24 B10R0.6 COCCSC(C)OC(=O)C 62a_100000233755_100009818208 [1,0,0,0,0,0|2,0,1]=4 25 B10R0.6 COCCSC(C)OC(=O)C 62a_100009818208_100000233755 [1,0,0,0,0,0|2,0,1]=4 26 B10R0.6 CSCCSC(C)OC(=O)C 62a_100000212216_100009818208 [1,0,0,0,0,0|2,0,1]=4 27 B10R0.6 CSCCSC(C)OC(=O)C 62a_100009818208_100000751147 [1,0,0,0,0,0|2,0,1]=4 28 B10R0.24 C#CC(CCCCC)OCC 34a_100011216489_100000210202 [1,0,0,0,0,0|0,0,3]=4 29 B10R0.24 C#CC(CCCCC)OCC 7a_100011216489_100000210202 [1,0,0,0,0,0|0,0,3]=4 30 B10R0.24 C=CC(CCC)OCCCC 34a_100011216692_100000210210 [1,0,0,0,0,0|2,0,1]=4 31 B10R0.24 C=CC(CCC)OCCCC 7a_100011216692_100000210211 [1,0,0,0,0,0|2,0,1]=4 32 B10R0.24 C=CC(CCCCC)OCC 34a_100011216863_100000210202 [1,0,0,0,0,0|0,0,1]=2 33 B10R0.24 C=CC(CCCCC)OCC 7a_100011216863_100000210202 [1,0,0,0,0,0|0,0,1]=2 34 B10R0.24 C=CC(CCCCC)OCF 34a_100011216863_100015361967 [1,0,0,0,0,0|1,0,1]=3 35 B10R0.24 C=CC(CCCCC)OCF 7a_100011216863_100015361967 [1,0,0,0,0,0|1,0,1]=3 36 B10R0.24 C=CCC(C=C)OCCCC 34a_100000038011_100000210210 [1,0,0,0,0,0|2,0,1]=4 37 B10R0.24 C=CCC(C=C)OCCCC 7a_100000038011_100000210211 [1,0,0,0,0,0|2,0,1]=4 38 B10R0.24 CCCCCC(CC)OCC 34a_100011215405_100000210202 [1,0,0,0,0,0|0,0,3]=4 39 B10R0.24 CCCCCC(CC)OCC 7a_100011215405_100000210202 [1,0,0,0,0,0|0,0,3]=4 40 B10R0.87 C=CC(CCCC)OC(C)C 34a_200011215037_100000210206 [1,0,0,0,0,0|1,0,1]=3 41 B10R0.87 C=CC(CCCC)OC(C)C 7a_200011215037_100000210206 [1,0,0,0,0,0|1,0,1]=3 42 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [1,0,0,0,0,0|1,0,2]=4 43 B10R0.87 CCCC[C@@H](CO)NC(=O)C 240690a_100011934283_100015343762 [1,0,0,0,0,0|2,0,1]=4 44 B10R0.87 CCCC[C@@H](CO)NC(=O)C 527a_100011934283_100103153847 [1,0,0,0,0,0|2,0,1]=4 45 B12R0.120 C=C(C)CC(OCCCC)C(=C)C 34a_200000034272_100000210210 [0,1,0,0,0,0|3,0,0]=4 46 B12R0.120 C=C(C)CC(OCCCC)C(=C)C 7a_200000034272_100000210211 [0,1,0,0,0,0|3,0,0]=4 47 B12R0.126 C#CC(C)OC(C=C)CCCCC 34a_100011216863_200000035995 [0,1,0,0,0,0|1,0,1]=3 48 B12R0.126 C=CC(CCCCC)OC(C)C#N 7a_100011216863_100000703298 [0,1,0,0,0,0|1,0,1]=3 49 B12R0.126 C=CC(CCCCC)OC(C)CC 34a_100011216863_100011215416 [0,1,0,0,0,0|1,0,1]=3 50 B12R0.126 C=CC(CCCCC)OC(C)CC 7a_100011216863_100000758301 [0,1,0,0,0,0|1,0,1]=3 51 B12R0.126 C=CC(CCCCC)OC(C)CO 34a_100011216863_100012180447 [0,1,0,0,0,0|0,0,2]=3 52 B12R0.126 C=CC(CCCCC)OC(C)CO 7a_100011216863_100012180447 [0,1,0,0,0,0|0,0,2]=3 53 B12R0.202 C=CC(CC(C)C)OCCCCC 34a_100012186643_100000718602 [0,1,0,0,0,0|2,0,1]=4 54 B12R0.202 C=CC(CC(C)C)OCCCCC 7a_100012186643_100000210326 [0,1,0,0,0,0|2,0,1]=4 55 B12R0.202 C=CC(CCCCCC)OC(C)C 34a_200011215977_100000210206 [0,1,0,0,0,0|1,0,1]=3 56 B12R0.202 C=CC(CCCCCC)OC(C)C 7a_200011215977_100000210206 [0,1,0,0,0,0|1,0,1]=3 57 B12R0.256 C=CCC(CCCCC)OC(C)C 34a_200011216309_100000210206 [0,1,0,0,0,0|1,0,1]=3 58 B12R0.256 C=CCC(CCCCC)OC(C)C 7a_200011216309_100000210206 [0,1,0,0,0,0|1,0,1]=3 59 B12R0.256 C=CCN(CCCCC)CC(=O)O 269956a_100000744315_100000210326 [0,1,0,0,0,0|3,0,0]=4 60 B12R0.362 C=CC(CCCCC)OC(C)(C)C 34a_100011216863_100000210625 [0,1,0,0,0,0|1,0,1]=3 61 B12R0.362 C=CC(CCCCC)OC(F)(F)F 34a_100011216863_200103152311 [0,1,0,0,0,0|2,0,1]=4 62 B12R0.362 C=CC(CCCCC)OC(F)(F)F 7a_100011216863_200000243211 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.4 CCC1CCC(CC1)NC(=O)C 11a_100011194317_100015343762 [0,0,0,1,0,0|1,0,2]=4 64 B12R1.4 CCC1CCC(CC1)NC(=O)C 1626a_100011194317_100015343762 [0,0,0,1,0,0|1,0,2]=4 65 B12R1.4 CCC1CCC(CC1)NC(=O)C 240690a_100011194317_100015343762 [0,0,0,1,0,0|1,0,2]=4 66 B12R1.4 CCC1CCC(CC1)NC(=O)C 527a_100011194317_100103153847 [0,0,0,1,0,0|1,0,2]=4 67 B12R1.4 CNC1CCC(CC1)OC(=O)C 270004a_106832991635_200000086378 [0,0,0,1,0,0|1,0,2]=4 68 B12R1.210 CC(=O)CN1CCCCCC1=O 1458a_100000181294_200000210301 [0,0,0,1,0,0|3,0,0]=4 69 B12R1.210 CC(=O)NC1CCCCNC1=O 11a_100000698827_100015343762 [0,0,0,1,0,0|3,0,0]=4 70 B12R1.210 CC(=O)NC1CCCCNC1=O 1626a_100000698827_100015343762 [0,0,0,1,0,0|3,0,0]=4 71 B12R1.210 CC(=O)NC1CCCCNC1=O 240690a_100000698827_100015343762 [0,0,0,1,0,0|3,0,0]=4 72 B12R1.210 CC(=O)NC1CCCCNC1=O 527a_100000698827_100103153847 [0,0,0,1,0,0|3,0,0]=4 73 B12R1.210 [13CH3]C(=O)CN1CCCCCC1=O 1458a_100000181294_200025704644 [0,0,0,1,0,0|3,0,0]=4 74 B12R1.224 CC(=O)NC1CCCC(C1C)C 11a_100000211273_100015343762 [0,0,0,1,0,0|1,0,2]=4 75 B12R1.224 CC(=O)NC1CCCC(C1C)C 1626a_100000211273_100015343762 [0,0,0,1,0,0|1,0,2]=4 76 B12R1.224 CC(=O)NC1CCCC(C1C)C 240690a_100000211273_100015343762 [0,0,0,1,0,0|1,0,2]=4 77 B12R1.224 CC(=O)NC1CCCC(C1C)C 527a_100000211273_100103153847 [0,0,0,1,0,0|1,0,2]=4 78 B12R1.476 CC(=O)NC(C#N)C1CCCC1 11a_100000767069_100015343762 [0,0,0,1,0,0|2,0,1]=4 79 B12R1.476 CC(=O)NC(C#N)C1CCCC1 1626a_100000767069_100015343762 [0,0,0,1,0,0|2,0,1]=4 80 B12R1.476 CC(=O)NC(C#N)C1CCCC1 240690a_100000767069_100015343762 [0,0,0,1,0,0|2,0,1]=4 81 B12R1.476 CC(=O)NC(C#N)C1CCCC1 527a_100000767069_100103153847 [0,0,0,1,0,0|2,0,1]=4 82 B12R1.1392 CC(=O)NC1CCCCCCC1 11a_100000211152_100015343762 [0,0,0,1,0,0|1,0,2]=4 83 B12R1.1392 CC(=O)NC1CCCCCCC1 1626a_100000211152_100015343762 [0,0,0,1,0,0|1,0,2]=4 84 B12R1.1392 CC(=O)NC1CCCCCCC1 240690a_100000211152_100015343762 [0,0,0,1,0,0|1,0,2]=4 85 B12R1.1392 CC(=O)NC1CCCCCCC1 527a_100000211152_100103153847 [0,0,0,1,0,0|1,0,2]=4 86 B12R1.1392 CC(C)OC1C=CCCCCC1 34a_100000688657_100000210206 [0,0,0,1,0,0|1,0,1]=3 87 B12R1.2140 C=CC(CCCCC)OC1CC1 34a_100011216863_100000211595 [0,0,0,1,0,0|1,0,1]=3 88 B12R1.3862 C#CC1(CCCCC1)NC(=O)C 11a_100132314160_100015343762 [0,0,0,1,0,0|1,0,2]=4 89 B12R1.3862 C#CC1(CCCCC1)NC(=O)C 1626a_100132314160_100015343762 [0,0,0,1,0,0|1,0,2]=4 90 B12R1.3862 C#CC1(CCCCC1)NC(=O)C 240690a_100132314160_100015343762 [0,0,0,1,0,0|1,0,2]=4 91 B12R1.3862 C=CC1(CCCCC1)OC(C)C 34a_200011934219_100000210206 [0,0,0,1,0,0|1,0,1]=3 92 B12R1.3862 C=CC1(CCCCC1)OC(C)C 7a_200011934219_100000210206 [0,0,0,1,0,0|1,0,1]=3 93 B12R1.3862 CC(=O)CC1(CCCCC1)C#N 1458a_100000070787_100011219015 [0,0,0,1,0,0|2,0,1]=4 94 B12R1.3862 CC(=O)NC1(CCCCC1)C#N 11a_100000184641_100015343762 [0,0,0,1,0,0|2,0,1]=4 95 B12R1.3862 CC(=O)NC1(CCCCC1)C#N 1626a_100000184641_100015343762 [0,0,0,1,0,0|2,0,1]=4 96 B12R1.3862 CC(=O)NC1(CCCCC1)C#N 240690a_100000184641_100015343762 [0,0,0,1,0,0|2,0,1]=4 97 B12R1.3862 CC(=O)NC1(CCCCC1)C#N 527a_100000184641_100103153847 [0,0,0,1,0,0|2,0,1]=4 98 B12R1.3862 CC(=O)NC1(CCCCC1)CO 240690a_100000740034_100015343762 [0,0,0,1,0,0|2,0,1]=4 99 B12R1.3862 CC(=O)NC1(CCCCC1)CO 527a_100000740034_100103153847 [0,0,0,1,0,0|2,0,1]=4 100 B10R0.86 C=CC(OCCCC)C(C)C 34a_100000732651_100000210210 [0,0,0,0,1,0|2,0,1]=4 101 B10R0.86 C=CC(OCCCC)C(C)C 7a_100000732651_100000210211 [0,0,0,0,1,0|2,0,1]=4 102 B10R0.86 C=C[C@H](NCCCC)C(=O)O 269956a_100016992060_100000210211 [0,0,0,0,1,0|2,0,0]=3 103 B10R0.86 C=C[C@H](NCCCF)C(=O)O 269956a_100016992060_100011934791 [0,0,0,0,1,0|3,0,0]=4 104 B10R0.86 C=C[C@H](NCCCO)C(=O)O 269956a_100016992060_100011215043 [0,0,0,0,1,0|3,0,0]=4 105 B10R0.86 C=C[C@H](NCCOC)C(=O)O 269956a_100016992060_100000233755 [0,0,0,0,1,0|3,0,0]=4 106 B10R0.86 C=C[C@H](NCCSC)C(=O)O 269956a_100016992060_100000212216 [0,0,0,0,1,0|3,0,0]=4 107 B10R0.86 C=C[C@H](NCOCC)C(=O)O 269956a_100016992060_100000739092 [0,0,0,0,1,0|3,0,0]=4 108 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,0,0,0,1,0|0,0,2]=3 109 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,0,0,0,1,0|0,0,2]=3 110 B12R0.124 C#CC(CCCCC)OCC(=C)C 34a_100011216489_100000748629 [0,0,0,0,0,1|1,0,2]=4 111 B12R0.124 C#CC(CCCCC)OCC(=C)C 7a_100011216489_100000748629 [0,0,0,0,0,1|1,0,2]=4 112 B12R0.124 C#CC(CCCCC)OCC(=O)N 34a_100011216489_100000187820 [0,0,0,0,0,1|1,0,2]=4 113 B12R0.124 C#CC(CCCCC)OCC(=O)N 7a_100011216489_100000187820 [0,0,0,0,0,1|1,0,2]=4 114 B12R0.124 C#CC(CCCCC)OCC(=O)[O-] 34a_100011216489_100020667443 [0,0,0,0,0,1|1,0,2]=4 115 B12R0.124 C=C(C)COC(CC)CCCCC 34a_100011215405_100000748629 [0,0,0,0,0,1|1,0,2]=4 116 B12R0.124 C=C(C)COC(CC)CCCCC 7a_100011215405_100000748629 [0,0,0,0,0,1|1,0,2]=4 117 B12R0.124 C=CC(=NNC(=O)C)CCCCC 4a_100000189765_100011217817 [0,0,0,0,0,1|1,0,1]=3 118 B12R0.124 C=CC(CCCCC)OCC(=C)C 34a_100011216863_100000748629 [0,0,0,0,0,1|1,0,0]=2 119 B12R0.124 C=CC(CCCCC)OCC(=C)C 7a_100011216863_100000748629 [0,0,0,0,0,1|1,0,0]=2 120 B12R0.124 C=CC(CCCCC)OCC(=C)F 34a_100011216863_100009893438 [0,0,0,0,0,1|1,0,1]=3 121 B12R0.124 C=CC(CCCCC)OCC(=C)F 7a_100011216863_100000042424 [0,0,0,0,0,1|1,0,1]=3 122 B12R0.124 C=CC(CCCCC)OCC(=O)N 34a_100011216863_100000187820 [0,0,0,0,0,1|1,0,0]=2 123 B12R0.124 C=CC(CCCCC)OCC(=O)N 7a_100011216863_100000187820 [0,0,0,0,0,1|1,0,0]=2 124 B12R0.124 C=CC(CCCCC)OCC(=O)[O-] 34a_100011216863_100020667443 [0,0,0,0,0,1|1,0,0]=2 125 B12R0.124 C=CC(CCCCC)OCC(C)C 34a_100011216863_100000210624 [0,0,0,0,0,1|1,0,1]=3 126 B12R0.124 C=CC(CCCCC)OCC(C)C 7a_100011216863_100000210760 [0,0,0,0,0,1|1,0,1]=3 127 B12R0.124 C=CC(CCCCC)OCC(C)O 34a_100011216863_100011218427 [0,0,0,0,0,1|0,0,2]=3 128 B12R0.124 C=CC(CCCCC)OCC(C)O 7a_100011216863_100011218427 [0,0,0,0,0,1|0,0,2]=3 129 B12R0.124 C=CC(CCCCC)OCC(F)F 34a_100011216863_100011934356 [0,0,0,0,0,1|2,0,1]=4 130 B12R0.124 C=CC(CCCCC)OCC(F)F 7a_100011216863_100011934356 [0,0,0,0,0,1|2,0,1]=4 131 B12R0.124 C=CC(CCCCC)OC[C@@H](C)O 34a_100011216863_100009817552 [0,0,0,0,0,1|0,0,2]=3 132 B12R0.124 C=CC(CCCCC)OC[C@@H](C)O 7a_100011216863_100009817552 [0,0,0,0,0,1|0,0,2]=3 133 B12R0.124 C=CC(CCCCC)OC[N+](=O)[O-] 34a_100011216863_100000761209 [0,0,0,0,0,1|2,0,0]=3 134 B12R0.124 CCCCCC(CC)OCC(=O)N 34a_100011215405_100000187820 [0,0,0,0,0,1|1,0,2]=4 135 B12R0.124 CCCCCC(CC)OCC(=O)N 7a_100011215405_100000187820 [0,0,0,0,0,1|1,0,2]=4 136 B12R0.124 CCCCCC(CC)OCC(=O)[O-] 34a_100011215405_100020667443 [0,0,0,0,0,1|1,0,2]=4 137 B12R0.124 CCCCOC(CCl)COC(=O)C 7a_200000139349_100000210211 [0,0,0,0,0,1|2,0,1]=4 138 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [2,0,0,0,0,0|2,0,0]=4 139 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [2,0,0,0,0,0|2,0,0]=4 140 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [2,0,0,0,0,0|2,0,0]=4 141 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [2,0,0,0,0,0|2,0,0]=4 142 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [2,0,0,0,0,0|2,0,0]=4 143 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [2,0,0,0,0,0|2,0,0]=4 144 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [2,0,0,0,0,0|1,0,0]=3 145 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [2,0,0,0,0,0|1,0,0]=3 146 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [2,0,0,0,0,0|1,0,0]=3 147 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [2,0,0,0,0,0|1,0,0]=3 148 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [2,0,0,0,0,0|2,0,0]=4 149 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [2,0,0,0,0,0|2,0,0]=4 150 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [2,0,0,0,0,0|2,0,0]=4 151 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [2,0,0,0,0,0|2,0,0]=4 152 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [2,0,0,0,0,0|2,0,0]=4 153 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [2,0,0,0,0,0|2,0,0]=4 154 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [2,0,0,0,0,0|2,0,0]=4 155 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [2,0,0,0,0,0|2,0,0]=4 156 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [2,0,0,0,0,0|2,0,0]=4 157 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [2,0,0,0,0,0|2,0,0]=4 158 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [2,0,0,0,0,0|2,0,0]=4 159 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [2,0,0,0,0,0|2,0,0]=4 160 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [2,0,0,0,0,0|2,0,0]=4 161 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [2,0,0,0,0,0|2,0,0]=4 162 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [2,0,0,0,0,0|2,0,0]=4 163 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [2,0,0,0,0,0|2,0,0]=4 164 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [2,0,0,0,0,0|2,0,0]=4 165 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [2,0,0,0,0,0|2,0,0]=4 166 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [2,0,0,0,0,0|2,0,0]=4 167 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [2,0,0,0,0,0|2,0,0]=4 168 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [2,0,0,0,0,0|2,0,0]=4 169 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [2,0,0,0,0,0|1,1,0]=4 170 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [2,0,0,0,0,0|1,1,0]=4 171 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [2,0,0,0,0,0|1,0,1]=4 172 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [2,0,0,0,0,0|1,0,1]=4 173 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [2,0,0,0,0,0|1,0,1]=4 174 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [2,0,0,0,0,0|1,0,1]=4 175 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [2,0,0,0,0,0|1,0,0]=3 176 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [2,0,0,0,0,0|1,0,0]=3 177 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [2,0,0,0,0,0|1,0,0]=3 178 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [2,0,0,0,0,0|1,0,0]=3 179 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [2,0,0,0,0,0|1,0,0]=3 180 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [2,0,0,0,0,0|1,0,0]=3 181 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [2,0,0,0,0,0|1,0,0]=3 182 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [2,0,0,0,0,0|1,0,1]=4 183 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [2,0,0,0,0,0|1,0,1]=4 184 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [2,0,0,0,0,0|1,0,1]=4 185 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [2,0,0,0,0,0|2,0,0]=4 186 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [2,0,0,0,0,0|2,0,0]=4 187 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [2,0,0,0,0,0|2,0,0]=4 188 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [2,0,0,0,0,0|2,0,0]=4 189 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [2,0,0,0,0,0|2,0,0]=4 190 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [2,0,0,0,0,0|2,0,0]=4 191 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [2,0,0,0,0,0|2,0,0]=4 192 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [2,0,0,0,0,0|1,0,0]=3 193 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [2,0,0,0,0,0|2,0,0]=4 194 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [2,0,0,0,0,0|2,0,0]=4 195 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [2,0,0,0,0,0|1,0,0]=3 196 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [2,0,0,0,0,0|1,0,0]=3 197 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [2,0,0,0,0,0|2,0,0]=4 198 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [2,0,0,0,0,0|2,0,0]=4 199 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [2,0,0,0,0,0|2,0,0]=4 200 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [2,0,0,0,0,0|2,0,0]=4 201 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [2,0,0,0,0,0|2,0,0]=4 202 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [2,0,0,0,0,0|2,0,0]=4 203 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [2,0,0,0,0,0|2,0,0]=4 204 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [2,0,0,0,0,0|2,0,0]=4 205 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [2,0,0,0,0,0|1,0,0]=3 206 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [2,0,0,0,0,0|2,0,0]=4 207 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [2,0,0,0,0,0|2,0,0]=4 208 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [2,0,0,0,0,0|2,0,0]=4 209 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [2,0,0,0,0,0|2,0,0]=4 210 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [2,0,0,0,0,0|2,0,0]=4 211 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [2,0,0,0,0,0|2,0,0]=4 212 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [2,0,0,0,0,0|2,0,0]=4 213 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [2,0,0,0,0,0|2,0,0]=4 214 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [2,0,0,0,0,0|2,0,0]=4 215 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [2,0,0,0,0,0|1,0,0]=3 216 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [2,0,0,0,0,0|1,0,0]=3 217 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [2,0,0,0,0,0|2,0,0]=4 218 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [2,0,0,0,0,0|2,0,0]=4 219 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [2,0,0,0,0,0|2,0,0]=4 220 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [2,0,0,0,0,0|1,1,0]=4 221 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [2,0,0,0,0,0|1,1,0]=4 222 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [2,0,0,0,0,0|2,0,0]=4 223 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [2,0,0,0,0,0|2,0,0]=4 224 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [2,0,0,0,0,0|2,0,0]=4 225 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [2,0,0,0,0,0|2,0,0]=4 226 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [2,0,0,0,0,0|2,0,0]=4 227 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [2,0,0,0,0,0|2,0,0]=4 228 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [2,0,0,0,0,0|1,0,0]=3 229 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [2,0,0,0,0,0|1,1,0]=4 230 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [2,0,0,0,0,0|1,1,0]=4 231 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [2,0,0,0,0,0|2,0,0]=4 232 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [2,0,0,0,0,0|2,0,0]=4 233 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [2,0,0,0,0,0|2,0,0]=4 234 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [2,0,0,0,0,0|2,0,0]=4 235 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [2,0,0,0,0,0|1,0,0]=3 236 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [2,0,0,0,0,0|1,0,0]=3 237 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [2,0,0,0,0,0|1,1,0]=4 238 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [2,0,0,0,0,0|1,1,0]=4 239 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [2,0,0,0,0,0|1,1,0]=4 240 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [2,0,0,0,0,0|1,1,0]=4 241 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [2,0,0,0,0,0|2,0,0]=4 242 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [2,0,0,0,0,0|2,0,0]=4 243 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [2,0,0,0,0,0|1,0,0]=3 244 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [2,0,0,0,0,0|1,0,0]=3 245 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [2,0,0,0,0,0|1,1,0]=4 246 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [2,0,0,0,0,0|1,1,0]=4 247 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [2,0,0,0,0,0|1,1,0]=4 248 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [2,0,0,0,0,0|2,0,0]=4 249 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [2,0,0,0,0,0|2,0,0]=4 250 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [2,0,0,0,0,0|2,0,0]=4 251 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [2,0,0,0,0,0|1,0,0]=3 252 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [2,0,0,0,0,0|1,0,0]=3 253 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [2,0,0,0,0,0|1,0,0]=3 254 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [2,0,0,0,0,0|1,1,0]=4 255 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [2,0,0,0,0,0|2,0,0]=4 256 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [2,0,0,0,0,0|2,0,0]=4 257 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [2,0,0,0,0,0|2,0,0]=4 258 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [2,0,0,0,0,0|2,0,0]=4 259 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [2,0,0,0,0,0|2,0,0]=4 260 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [2,0,0,0,0,0|2,0,0]=4 261 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [2,0,0,0,0,0|1,0,0]=3 262 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [2,0,0,0,0,0|1,0,0]=3 263 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [2,0,0,0,0,0|1,1,0]=4 264 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [2,0,0,0,0,0|1,1,0]=4 265 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [2,0,0,0,0,0|2,0,0]=4 266 B9R0.2 CSCCSCOC(=O)C 62a_100000076356_100000751147 [2,0,0,0,0,0|2,0,0]=4 267 B9R0.2 CSCCSCOC(=O)C 62a_100000212216_100000076356 [2,0,0,0,0,0|2,0,0]=4 268 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [2,0,0,0,0,0|2,0,0]=4 269 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [2,0,0,0,0,0|2,0,0]=4 270 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [2,0,0,0,0,0|2,0,0]=4 271 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [2,0,0,0,0,0|2,0,0]=4 272 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [2,0,0,0,0,0|2,0,0]=4 273 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [2,0,0,0,0,0|1,0,1]=4 274 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [2,0,0,0,0,0|1,0,1]=4 275 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [2,0,0,0,0,0|1,0,1]=4 276 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [2,0,0,0,0,0|1,0,1]=4 277 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [2,0,0,0,0,0|1,0,1]=4 278 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [2,0,0,0,0,0|1,0,1]=4 279 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [2,0,0,0,0,0|0,0,2]=4 280 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [2,0,0,0,0,0|0,0,2]=4 281 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [2,0,0,0,0,0|0,0,2]=4 282 B9R0.40 C=CC(CCCC)OCC 34a_200011215037_100000210202 [2,0,0,0,0,0|0,0,1]=3 283 B9R0.40 C=CC(CCCC)OCC 7a_200011215037_100000210202 [2,0,0,0,0,0|0,0,1]=3 284 B9R0.40 C=CC(CCCC)OCF 34a_200011215037_100015361967 [2,0,0,0,0,0|1,0,1]=4 285 B9R0.40 C=CC(CCCC)OCF 7a_200011215037_100015361967 [2,0,0,0,0,0|1,0,1]=4 286 B9R0.50 C#CC(CCCCC)OC 34a_100011216489_200000210301 [2,0,0,0,0,0|0,0,2]=4 287 B9R0.50 C#CC(CCCCC)OC 7a_100011216489_200000210301 [2,0,0,0,0,0|0,0,2]=4 288 B9R0.50 C#CC(CCCCC)O[13CH3] 34a_100011216489_200025704644 [2,0,0,0,0,0|0,0,2]=4 289 B9R0.50 C#CC(CCCCC)O[13CH3] 7a_100011216489_200025704644 [2,0,0,0,0,0|0,0,2]=4 290 B9R0.50 C=CC(C=C)OCCCC 34a_100000033096_100000210210 [2,0,0,0,0,0|1,0,1]=4 291 B9R0.50 C=CC(CC)OCCCC 34a_100000766422_100000210210 [2,0,0,0,0,0|1,0,1]=4 292 B9R0.50 C=CC(CC)OCCCC 7a_100000766422_100000210211 [2,0,0,0,0,0|1,0,1]=4 293 B9R0.50 C=CC(CCCCC)OC 34a_100011216863_200000210301 [2,0,0,0,0,0|0,0,0]=2 294 B9R0.50 C=CC(CCCCC)OC 7a_100011216863_200000210301 [2,0,0,0,0,0|0,0,0]=2 295 B9R0.50 C=CC(CCCCC)O[13CH3] 34a_100011216863_200025704644 [2,0,0,0,0,0|0,0,0]=2 296 B9R0.50 C=CC(CCCCC)O[13CH3] 7a_100011216863_200025704644 [2,0,0,0,0,0|0,0,0]=2 297 B9R0.50 CCCCCC(CC)OC 34a_100011215405_200000210301 [2,0,0,0,0,0|0,0,2]=4 298 B9R0.50 CCCCCC(CC)OC 7a_100011215405_200000210301 [2,0,0,0,0,0|0,0,2]=4 299 B9R0.50 CCCCCC(CC)O[13CH3] 34a_100011215405_200025704644 [2,0,0,0,0,0|0,0,2]=4 300 B9R0.50 CCCCCC(CC)O[13CH3] 7a_100011215405_200025704644 [2,0,0,0,0,0|0,0,2]=4 301 B9R0.50 CCCCNC(C=O)C=O 2230a_100000102301_100000736813 [2,0,0,0,0,0|2,0,0]=4 302 B9R0.50 CCCCOC(C=O)C=O 34a_100000210227_100000736813 [2,0,0,0,0,0|2,0,0]=4 303 B9R0.50 CCCCSC(C=O)C=O 62a_100000210211_100000736813 [2,0,0,0,0,0|2,0,0]=4 304 B9R0.50 CCCCSC(C=O)C=O 62a_100000736813_100000210210 [2,0,0,0,0,0|2,0,0]=4 305 B9R0.14 C=CC(CCC)OC(C)C 34a_100011216692_100000210206 [2,0,0,0,0,0|1,0,1]=4 306 B9R0.14 C=CC(CCC)OC(C)C 7a_100011216692_100000210206 [2,0,0,0,0,0|1,0,1]=4 307 B11R0.1 CCCC(C)SC(C)OC(=O)C 62a_100000766640_100009818208 [1,1,0,0,0,0|1,0,1]=4 308 B11R0.1 CCCC(C)SC(C)OC(=O)C 62a_100009818208_100000766640 [1,1,0,0,0,0|1,0,1]=4 309 B11R0.2 CC(=O)OC(C)SCCCCF 62a_100000729493_100009818208 [1,1,0,0,0,0|1,0,1]=4 310 B11R0.2 CC(=O)OC(C)SCCCCF 62a_100009818208_100000729493 [1,1,0,0,0,0|1,0,1]=4 311 B11R0.2 CC(=O)OC(C)SCCCCO 62a_100000210776_100009818208 [1,1,0,0,0,0|1,0,1]=4 312 B11R0.2 CC(=O)OC(C)SCCCCO 62a_100009818208_100000210776 [1,1,0,0,0,0|1,0,1]=4 313 B11R0.2 CCCCCCC(C)NC(=O)C 11a_100000210919_100015343762 [1,1,0,0,0,0|1,0,1]=4 314 B11R0.2 CCCCCCC(C)NC(=O)C 1626a_100000210919_100015343762 [1,1,0,0,0,0|1,0,1]=4 315 B11R0.2 CCCCCCC(C)NC(=O)C 240690a_100000210919_100015343762 [1,1,0,0,0,0|1,0,1]=4 316 B11R0.2 CCCCCCC(C)NC(=O)C 527a_100000210919_100103153847 [1,1,0,0,0,0|1,0,1]=4 317 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100000210326_100009818208 [1,1,0,0,0,0|0,0,1]=3 318 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100009818208_100000210326 [1,1,0,0,0,0|0,0,1]=3 319 B11R0.2 CCOCCSC(C)OC(=O)C 62a_100000210147_100009818208 [1,1,0,0,0,0|1,0,1]=4 320 B11R0.2 CCOCCSC(C)OC(=O)C 62a_100009818208_100011215890 [1,1,0,0,0,0|1,0,1]=4 321 B11R0.2 CCSCCSC(C)OC(=O)C 62a_100000757381_100009818208 [1,1,0,0,0,0|1,0,1]=4 322 B11R0.2 CCSCCSC(C)OC(=O)C 62a_100009818208_100000757381 [1,1,0,0,0,0|1,0,1]=4 323 B11R0.2 COCCCSC(C)OC(=O)C 62a_100000709357_100009818208 [1,1,0,0,0,0|1,0,1]=4 324 B11R0.2 COCCCSC(C)OC(=O)C 62a_100009818208_100000709357 [1,1,0,0,0,0|1,0,1]=4 325 B11R0.6 CC(=O)NC(C)CCCC(C)C 11a_100000210607_100015343762 [1,1,0,0,0,0|1,0,1]=4 326 B11R0.6 CC(=O)NC(C)CCCC(C)C 1626a_100000210607_100015343762 [1,1,0,0,0,0|1,0,1]=4 327 B11R0.6 CC(=O)NC(C)CCCC(C)C 240690a_100000210607_100015343762 [1,1,0,0,0,0|1,0,1]=4 328 B11R0.6 CC(=O)NC(C)CCCC(C)C 527a_100000210607_100103153847 [1,1,0,0,0,0|1,0,1]=4 329 B11R0.6 CC(=O)OC(C)SCCC(C)C 62a_100000210312_100009818208 [1,1,0,0,0,0|1,0,1]=4 330 B11R0.6 CC(=O)OC(C)SCCC(C)C 62a_100009818208_100000210312 [1,1,0,0,0,0|1,0,1]=4 331 B11R0.6 CC(=O)OC(C)SCCC(C)O 62a_100009818208_100012276601 [1,1,0,0,0,0|1,0,1]=4 332 B11R0.6 CC(=O)OC(C)SCCC(C)O 62a_100012276601_100009818208 [1,1,0,0,0,0|1,0,1]=4 333 B11R0.68 CCCCC(=O)C(C)OC(=O)C 1458a_100000210183_100009818208 [1,1,0,0,0,0|0,0,2]=4 334 B11R0.68 CCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210211 [1,1,0,0,0,0|0,0,2]=4 335 B11R0.68 CCCCN(C)C(C)OC(=O)C 269982a_100000207549_100009818208 [1,1,0,0,0,0|1,0,1]=4 336 B11R0.107 CCC(C)CSC(C)OC(=O)C 62a_100000748023_100009818208 [1,1,0,0,0,0|1,0,1]=4 337 B11R0.107 CCC(C)CSC(C)OC(=O)C 62a_100009818208_100000748023 [1,1,0,0,0,0|1,0,1]=4 338 B11R0.107 CCC(O)CSC(C)OC(=O)C 62a_100009818208_100011218378 [1,1,0,0,0,0|1,0,1]=4 339 B11R0.107 CCC(O)CSC(C)OC(=O)C 62a_100011218378_100009818208 [1,1,0,0,0,0|1,0,1]=4 340 B11R0.107 CC[C@H](C)CSC(C)OC(=O)C 62a_100009816398_100009818208 [1,1,0,0,0,0|1,0,1]=4 341 B11R0.107 CC[C@H](C)CSC(C)OC(=O)C 62a_100009818208_100009816398 [1,1,0,0,0,0|1,0,1]=4 342 B11R0.154 CCCCCC(C)NC(=O)CC 11a_100000211957_100000210414 [1,1,0,0,0,0|1,0,1]=4 343 B11R0.154 CCCCCC(C)NC(=O)CC 1626a_100000211957_100000210414 [1,1,0,0,0,0|1,0,1]=4 344 B11R0.154 CCCCCC(C)NC(=O)CC 240690a_100000211957_100000210414 [1,1,0,0,0,0|1,0,1]=4 345 B11R0.154 CCCCCC(C)NC(=O)CC 527a_100000211957_100000210414 [1,1,0,0,0,0|1,0,1]=4 346 B11R0.154 CCCCCC(C)NC(=O)CO 240690a_100000211957_100000210174 [1,1,0,0,0,0|1,0,1]=4 347 B11R0.154 CCCCCC(C)NC(=O)CO 527a_100000211957_100000210174 [1,1,0,0,0,0|1,0,1]=4 348 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100000211957_106832991635 [1,1,0,0,0,0|1,0,1]=4 349 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100102657272_100000211957 [1,1,0,0,0,0|1,0,1]=4 350 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100000211957_100102657272 [1,1,0,0,0,0|1,0,1]=4 351 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100102657272_100000211957 [1,1,0,0,0,0|1,0,1]=4 352 B11R0.154 CCCCCC(C)NC(=O)NC 512a_100000211957_100102657272 [1,1,0,0,0,0|1,0,1]=4 353 B11R0.154 CCCCCC(C)NC(=O)NC 512a_106832991638_100000211957 [1,1,0,0,0,0|1,0,1]=4 354 B11R0.80 C=CCC(CCCCC)OCC 34a_200011216309_100000210202 [1,1,0,0,0,0|0,0,1]=3 355 B11R0.80 C=CCC(CCCCC)OCC 7a_200011216309_100000210202 [1,1,0,0,0,0|0,0,1]=3 356 B11R0.80 C=CCC(CCCCC)OCF 34a_200011216309_100015361967 [1,1,0,0,0,0|1,0,1]=4 357 B11R0.80 C=CCC(CCCCC)OCF 7a_200011216309_100015361967 [1,1,0,0,0,0|1,0,1]=4 358 B11R0.152 C#CC(CCCCC)OCC=O 34a_100011216489_200009817547 [1,1,0,0,0,0|0,0,2]=4 359 B11R0.152 C#CC(CCCCC)OCC=O 7a_100011216489_200015260668 [1,1,0,0,0,0|0,0,2]=4 360 B11R0.152 C#CCOC(C=C)CCCCC 34a_100011216863_100000184674 [1,1,0,0,0,0|0,0,2]=4 361 B11R0.152 C#CCOC(C=C)CCCCC 7a_100011216863_100000038162 [1,1,0,0,0,0|0,0,2]=4 362 B11R0.152 C=CC(CCCCC)OCC#N 7a_100011216863_100011215382 [1,1,0,0,0,0|0,0,2]=4 363 B11R0.152 C=CC(CCCCC)OCC=O 34a_100011216863_200009817547 [1,1,0,0,0,0|0,0,0]=2 364 B11R0.152 C=CC(CCCCC)OCC=O 7a_100011216863_200015260668 [1,1,0,0,0,0|0,0,0]=2 365 B11R0.152 C=CC(CCCCC)OCCC 34a_100011216863_100000210303 [1,1,0,0,0,0|0,0,1]=3 366 B11R0.152 C=CC(CCCCC)OCCC 7a_100011216863_100000210303 [1,1,0,0,0,0|0,0,1]=3 367 B11R0.152 C=CC(CCCCC)OCCF 34a_100011216863_100011217306 [1,1,0,0,0,0|0,0,1]=3 368 B11R0.152 C=CC(CCCCC)OCCF 7a_100011216863_100011217306 [1,1,0,0,0,0|0,0,1]=3 369 B11R0.152 C=CC(CCCCC)OCCO 34a_100011216863_100000211926 [1,1,0,0,0,0|0,0,1]=3 370 B11R0.152 C=CC(CCCCC)OCCO 7a_100011216863_100000211926 [1,1,0,0,0,0|0,0,1]=3 371 B11R0.152 C=CC(CCCCC)OCSC 34a_100011216863_100011218213 [1,1,0,0,0,0|0,0,1]=3 372 B11R0.152 C=CCOC(C=C)CCCCC 34a_100011216863_100015514636 [1,1,0,0,0,0|0,0,1]=3 373 B11R0.152 C=CCOC(C=C)CCCCC 7a_100011216863_100015514636 [1,1,0,0,0,0|0,0,1]=3 374 B11R0.152 CCCCCC(CC)OCC=O 34a_100011215405_200009817547 [1,1,0,0,0,0|0,0,2]=4 375 B11R0.152 CCCCCC(CC)OCC=O 7a_100011215405_200015260668 [1,1,0,0,0,0|0,0,2]=4 376 B11R0.161 C=CC(CCC)OCCCCC 34a_100011216692_100000718602 [1,1,0,0,0,0|1,0,1]=4 377 B11R0.161 C=CC(CCC)OCCCCC 7a_100011216692_100000210326 [1,1,0,0,0,0|1,0,1]=4 378 B11R0.161 C=CC(CCCCCC)OCC 34a_200011215977_100000210202 [1,1,0,0,0,0|0,0,1]=3 379 B11R0.161 C=CC(CCCCCC)OCC 7a_200011215977_100000210202 [1,1,0,0,0,0|0,0,1]=3 380 B11R0.161 C=CC(CCCCCC)OCF 34a_200011215977_100015361967 [1,1,0,0,0,0|1,0,1]=4 381 B11R0.161 C=CC(CCCCCC)OCF 7a_200011215977_100015361967 [1,1,0,0,0,0|1,0,1]=4 382 B11R0.161 C=CCC(C=C)OCCCCC 34a_100000038011_100000718602 [1,1,0,0,0,0|1,0,1]=4 383 B11R0.161 C=CCC(C=C)OCCCCC 7a_100000038011_100000210326 [1,1,0,0,0,0|1,0,1]=4 384 B11R0.47 C=CCC(CCCC)OC(C)C 34a_200011216941_100000210206 [1,1,0,0,0,0|1,0,1]=4 385 B11R0.47 C=CCC(CCCC)OC(C)C 7a_200011216941_100000210206 [1,1,0,0,0,0|1,0,1]=4 386 B11R0.160 CCCCC(NC(=O)C)C(=O)C 1458a_100000194794_200000210301 [1,1,0,0,0,0|1,0,1]=4 387 B11R0.160 CCCCC(NC(=O)C)C(=O)[13CH3] 1458a_100000194794_200025704644 [1,1,0,0,0,0|1,0,1]=4 388 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 11a_100000124899_100015343762 [1,1,0,0,0,0|2,0,0]=4 389 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 1626a_100000124899_100015343762 [1,1,0,0,0,0|2,0,0]=4 390 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 240690a_100000124899_100015343762 [1,1,0,0,0,0|2,0,0]=4 391 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 527a_100000124899_100103153847 [1,1,0,0,0,0|2,0,0]=4 392 B11R0.166 C#CC(C)OC(C=C)CCCC 34a_200011215037_200000035995 [1,1,0,0,0,0|1,0,1]=4 393 B11R0.166 C=CC(CCCC)OC(C)C#N 7a_200011215037_100000703298 [1,1,0,0,0,0|1,0,1]=4 394 B11R0.166 C=CC(CCCC)OC(C)CC 34a_200011215037_100011215416 [1,1,0,0,0,0|1,0,1]=4 395 B11R0.166 C=CC(CCCC)OC(C)CC 7a_200011215037_100000758301 [1,1,0,0,0,0|1,0,1]=4 396 B11R0.166 C=CC(CCCC)OC(C)CO 34a_200011215037_100012180447 [1,1,0,0,0,0|0,0,2]=4 397 B11R0.166 C=CC(CCCC)OC(C)CO 7a_200011215037_100012180447 [1,1,0,0,0,0|0,0,2]=4 398 B11R0.190 C=CC(CCCC)OC(C)(C)C 34a_200011215037_100000210625 [1,1,0,0,0,0|1,0,1]=4 399 B11R0.55 C=C[C@H](NC(C)CCC)C(=O)O 269956a_100016992060_100000766640 [0,1,0,0,1,0|2,0,0]=4 400 B11R0.76 C=CC(OCCCCC)C(C)C 34a_100000732651_100000718602 [0,1,0,0,1,0|1,0,1]=4 401 B11R0.76 C=CC(OCCCCC)C(C)C 7a_100000732651_100000210326 [0,1,0,0,1,0|1,0,1]=4 402 B11R0.76 C=C[C@H](NCCCCC)C(=O)O 269956a_100016992060_100000210326 [0,1,0,0,1,0|1,0,0]=3 403 B11R0.76 C=C[C@H](NCCCCF)C(=O)O 269956a_100016992060_100000729493 [0,1,0,0,1,0|2,0,0]=4 404 B11R0.76 C=C[C@H](NCCCCO)C(=O)O 269956a_100016992060_100000210776 [0,1,0,0,1,0|2,0,0]=4 405 B11R0.76 C=C[C@H](NCCCOC)C(=O)O 269956a_100016992060_100000740836 [0,1,0,0,1,0|2,0,0]=4 406 B11R0.76 C=C[C@H](NCCOCC)C(=O)O 269956a_100016992060_100000210147 [0,1,0,0,1,0|2,0,0]=4 407 B11R0.76 C=C[C@H](NCCSCC)C(=O)O 269956a_100016992060_100000757381 [0,1,0,0,1,0|2,0,0]=4 408 B11R0.90 C=C[C@H](NCC(C)CC)C(=O)O 269956a_100016992060_100000748023 [0,1,0,0,1,0|2,0,0]=4 409 B11R0.90 C=C[C@H](NCC(O)CC)C(=O)O 269956a_100016992060_100011218378 [0,1,0,0,1,0|2,0,0]=4 410 B11R0.90 C=C[C@H](NC[C@@H](C)CC)C(=O)O 269956a_100016992060_100009816398 [0,1,0,0,1,0|2,0,0]=4 411 B11R0.153 CCCCSC(C(=O)C)C(=O)C 62a_100000210211_100000210371 [0,1,0,0,1,0|1,0,1]=4 412 B11R0.153 CCCCSC(C(=O)C)C(=O)C 62a_100000210371_100000210210 [0,1,0,0,1,0|1,0,1]=4 413 B11R0.273 C=C[C@H](NCCC(C)C)C(=O)O 269956a_100016992060_100000210312 [0,1,0,0,1,0|2,0,0]=4 414 B11R0.273 C=C[C@H](NCCC(C)O)C(=O)O 269956a_100016992060_100012276601 [0,1,0,0,1,0|2,0,0]=4 415 B13R0.144 C#CC(CCCCC)OC(C)C(=O)C 7a_100011216489_100000179758 [0,1,0,0,0,1|0,0,2]=4 416 B13R0.144 C=CC(CCCCC)OC(C)C(=O)C 7a_100011216863_100000179758 [0,1,0,0,0,1|0,0,0]=2 417 B13R0.144 C=CC(CCCCC)OC(C)C(=O)N 34a_100011216863_100000702099 [0,1,0,0,0,1|1,0,0]=3 418 B13R0.144 C=CC(CCCCC)OC(C)C(=O)N 7a_100011216863_100000702099 [0,1,0,0,0,1|1,0,0]=3 419 B13R0.144 C=CC(CCCCC)OC(F)C(=O)N 34a_100011216863_100009813875 [0,1,0,0,0,1|1,0,0]=3 420 B13R0.144 C=CC(CCCCC)OC(F)C(=O)N 7a_100011216863_100009813875 [0,1,0,0,0,1|1,0,0]=3 421 B13R0.144 C=CC(CCCCC)OC(F)C(=O)[O-] 34a_100011216863_100020610796 [0,1,0,0,0,1|1,0,0]=3 422 B13R0.144 CCCCCC(CC)OC(C)C(=O)C 7a_100011215405_100000179758 [0,1,0,0,0,1|0,0,2]=4 423 B13R0.285 C=CC(CCCCCC)OCC(=C)C 34a_200011215977_100000748629 [0,1,0,0,0,1|1,0,0]=3 424 B13R0.285 C=CC(CCCCCC)OCC(=C)C 7a_200011215977_100000748629 [0,1,0,0,0,1|1,0,0]=3 425 B13R0.285 C=CC(CCCCCC)OCC(=C)F 34a_200011215977_100009893438 [0,1,0,0,0,1|1,0,1]=4 426 B13R0.285 C=CC(CCCCCC)OCC(=C)F 7a_200011215977_100000042424 [0,1,0,0,0,1|1,0,1]=4 427 B13R0.285 C=CC(CCCCCC)OCC(=O)N 34a_200011215977_100000187820 [0,1,0,0,0,1|1,0,0]=3 428 B13R0.285 C=CC(CCCCCC)OCC(=O)N 7a_200011215977_100000187820 [0,1,0,0,0,1|1,0,0]=3 429 B13R0.285 C=CC(CCCCCC)OCC(=O)[O-] 34a_200011215977_100020667443 [0,1,0,0,0,1|1,0,0]=3 430 B13R0.285 C=CC(CCCCCC)OCC(C)C 34a_200011215977_100000210624 [0,1,0,0,0,1|1,0,1]=4 431 B13R0.285 C=CC(CCCCCC)OCC(C)C 7a_200011215977_100000210760 [0,1,0,0,0,1|1,0,1]=4 432 B13R0.285 C=CC(CCCCCC)OCC(C)O 34a_200011215977_100011218427 [0,1,0,0,0,1|0,0,2]=4 433 B13R0.285 C=CC(CCCCCC)OCC(C)O 7a_200011215977_100011218427 [0,1,0,0,0,1|0,0,2]=4 434 B13R0.285 C=CC(CCCCCC)OC[C@@H](C)O 34a_200011215977_100009817552 [0,1,0,0,0,1|0,0,2]=4 435 B13R0.285 C=CC(CCCCCC)OC[C@@H](C)O 7a_200011215977_100009817552 [0,1,0,0,0,1|0,0,2]=4 436 B13R0.285 C=CC(CCCCCC)OC[N+](=O)[O-] 34a_200011215977_100000761209 [0,1,0,0,0,1|2,0,0]=4 437 B13R0.285 CCCCCOC(CCl)COC(=O)C 7a_200000139349_100000210326 [0,1,0,0,0,1|1,0,1]=4 438 B13R0.391 C=CCC(CCCCC)OCC(=C)C 34a_200011216309_100000748629 [0,1,0,0,0,1|1,0,0]=3 439 B13R0.391 C=CCC(CCCCC)OCC(=C)C 7a_200011216309_100000748629 [0,1,0,0,0,1|1,0,0]=3 440 B13R0.391 C=CCC(CCCCC)OCC(=C)F 34a_200011216309_100009893438 [0,1,0,0,0,1|1,0,1]=4 441 B13R0.391 C=CCC(CCCCC)OCC(=C)F 7a_200011216309_100000042424 [0,1,0,0,0,1|1,0,1]=4 442 B13R0.391 C=CCC(CCCCC)OCC(=O)N 34a_200011216309_100000187820 [0,1,0,0,0,1|1,0,0]=3 443 B13R0.391 C=CCC(CCCCC)OCC(=O)N 7a_200011216309_100000187820 [0,1,0,0,0,1|1,0,0]=3 444 B13R0.391 C=CCC(CCCCC)OCC(=O)[O-] 34a_200011216309_100020667443 [0,1,0,0,0,1|1,0,0]=3 445 B13R0.391 C=CCC(CCCCC)OCC(C)C 34a_200011216309_100000210624 [0,1,0,0,0,1|1,0,1]=4 446 B13R0.391 C=CCC(CCCCC)OCC(C)C 7a_200011216309_100000210760 [0,1,0,0,0,1|1,0,1]=4 447 B13R0.391 C=CCC(CCCCC)OCC(C)O 34a_200011216309_100011218427 [0,1,0,0,0,1|0,0,2]=4 448 B13R0.391 C=CCC(CCCCC)OCC(C)O 7a_200011216309_100011218427 [0,1,0,0,0,1|0,0,2]=4 449 B13R0.391 C=CCC(CCCCC)OC[C@@H](C)O 34a_200011216309_100009817552 [0,1,0,0,0,1|0,0,2]=4 450 B13R0.391 C=CCC(CCCCC)OC[C@@H](C)O 7a_200011216309_100009817552 [0,1,0,0,0,1|0,0,2]=4 451 B13R0.391 C=CCC(CCCCC)OC[N+](=O)[O-] 34a_200011216309_100000761209 [0,1,0,0,0,1|2,0,0]=4 452 B13R0.1052 C#CC(CCCCC)OCC(=O)CC 7a_100011216489_100000747405 [0,1,0,0,0,1|0,0,2]=4 453 B13R0.1052 C#CC(CCCCC)OCC(=O)NC 34a_100011216489_100000183359 [0,1,0,0,0,1|0,0,2]=4 454 B13R0.1052 C#CC(CCCCC)OCC(=O)NC 7a_100011216489_100000183359 [0,1,0,0,0,1|0,0,2]=4 455 B13R0.1052 C#CC(CCCCC)OCC(=O)OC 34a_100011216489_100000747449 [0,1,0,0,0,1|0,0,2]=4 456 B13R0.1052 C#CC(CCCCC)OCC(=O)OC 7a_100011216489_100000747449 [0,1,0,0,0,1|0,0,2]=4 457 B13R0.1052 C=CC(=NNC(=O)CC)CCCCC 4a_100000183195_100011217817 [0,1,0,0,0,1|1,0,1]=4 458 B13R0.1052 C=CC(CCCCC)OCC(=C)C#N 34a_100011216863_100000694840 [0,1,0,0,0,1|1,0,1]=4 459 B13R0.1052 C=CC(CCCCC)OCC(=O)CC 7a_100011216863_100000747405 [0,1,0,0,0,1|0,0,0]=2 460 B13R0.1052 C=CC(CCCCC)OCC(=O)NC 34a_100011216863_100000183359 [0,1,0,0,0,1|0,0,0]=2 461 B13R0.1052 C=CC(CCCCC)OCC(=O)NC 7a_100011216863_100000183359 [0,1,0,0,0,1|0,0,0]=2 462 B13R0.1052 C=CC(CCCCC)OCC(=O)OC 34a_100011216863_100000747449 [0,1,0,0,0,1|0,0,0]=2 463 B13R0.1052 C=CC(CCCCC)OCC(=O)OC 7a_100011216863_100000747449 [0,1,0,0,0,1|0,0,0]=2 464 B13R0.1052 C=CC(CCCCC)OCC(C)CC 34a_100011216863_100000748023 [0,1,0,0,0,1|1,0,1]=4 465 B13R0.1052 C=CC(CCCCC)OCC(C)CC 7a_100011216863_100000748023 [0,1,0,0,0,1|1,0,1]=4 466 B13R0.1052 C=CC(CCCCC)OCC(O)CC 34a_100011216863_100011218378 [0,1,0,0,0,1|0,0,2]=4 467 B13R0.1052 C=CC(CCCCC)OCC(O)CC 7a_100011216863_100011218378 [0,1,0,0,0,1|0,0,2]=4 468 B13R0.1052 C=CC(CCCCC)OCC(O)CO 34a_100011216863_100011219619 [0,1,0,0,0,1|0,0,2]=4 469 B13R0.1052 C=CC(CCCCC)OCC(O)CO 7a_100011216863_100011219619 [0,1,0,0,0,1|0,0,2]=4 470 B13R0.1052 C=CC(CCCCC)OC[C@@H](C)CC 34a_100011216863_100009816398 [0,1,0,0,0,1|1,0,1]=4 471 B13R0.1052 C=CC(CCCCC)OC[C@@H](C)CC 7a_100011216863_100009816398 [0,1,0,0,0,1|1,0,1]=4 472 B13R0.1052 C=CC(CCCCC)OC[C@@H](C)CO 34a_100011216863_100000059175 [0,1,0,0,0,1|0,0,2]=4 473 B13R0.1052 C=CC(CCCCC)OC[C@@H](C)CO 7a_100011216863_100000059175 [0,1,0,0,0,1|0,0,2]=4 474 B13R0.1052 C=CC(CCCCC)OC[C@@H](O)CF 34a_100011216863_100015614560 [0,1,0,0,0,1|0,0,2]=4 475 B13R0.1052 C=CC(CCCCC)OC[C@@H](O)CF 7a_100011216863_100015614560 [0,1,0,0,0,1|0,0,2]=4 476 B13R0.1052 C=CC(CCCCC)OC[C@@H](O)CO 34a_100011216863_100009815848 [0,1,0,0,0,1|0,0,2]=4 477 B13R0.1052 C=CC(CCCCC)OC[C@@H](O)CO 7a_100011216863_100009815848 [0,1,0,0,0,1|0,0,2]=4 478 B13R0.1052 CCCCCC(CC)OCC(=O)CC 7a_100011215405_100000747405 [0,1,0,0,0,1|0,0,2]=4 479 B13R0.1052 CCCCCC(CC)OCC(=O)NC 34a_100011215405_100000183359 [0,1,0,0,0,1|0,0,2]=4 480 B13R0.1052 CCCCCC(CC)OCC(=O)NC 7a_100011215405_100000183359 [0,1,0,0,0,1|0,0,2]=4 481 B13R0.1052 CCCCCC(CC)OCC(=O)OC 34a_100011215405_100000747449 [0,1,0,0,0,1|0,0,2]=4 482 B13R0.1052 CCCCCC(CC)OCC(=O)OC 7a_100011215405_100000747449 [0,1,0,0,0,1|0,0,2]=4 483 B13R0.1054 C=CC(CCCCC)OCC(C)(C)C 34a_100011216863_100011219605 [0,1,0,0,0,1|1,0,1]=4 484 B13R0.1054 C=CC(CCCCC)OCC(C)(C)F 34a_100011216863_100011997219 [0,1,0,0,0,1|1,0,1]=4 485 B13R0.1054 C=CC(CCCCC)OCC(C)(C)O 34a_100011216863_100000764493 [0,1,0,0,0,1|0,0,2]=4 486 B13R0.1054 C=CC(CCCCC)OCC(C)(C)O 7a_100011216863_100000764493 [0,1,0,0,0,1|0,0,2]=4 487 B13R0.1054 C=CC(CCCCC)OCS(=O)(=O)[O-] 34a_100011216863_100009817235 [0,1,0,0,0,1|2,0,0]=4 488 B13R0.1054 C=CC(CCCCC)OC[Si](C)(C)C 7a_100011216863_100000233785 [0,1,0,0,0,1|1,1,0]=4 489 B13R0.507 C=CCC(NC(=O)C)C(=O)CCCC 1458a_100000741017_100000210211 [0,2,0,0,0,0|1,0,1]=4 490 B13R0.146 CCCCCC(NC(=O)C)C(=O)NC 11a_200121577139_100015343762 [0,2,0,0,0,0|1,0,1]=4 491 B13R0.146 CCCCCC(NC(=O)C)C(=O)NC 1626a_200121577139_100015343762 [0,2,0,0,0,0|1,0,1]=4 492 B13R0.146 CCCCCC(NC(=O)C)C(=O)NC 240690a_200121577139_100015343762 [0,2,0,0,0,0|1,0,1]=4 493 B13R0.146 CCCCCC(NC(=O)C)C(=O)NC 527a_200121577139_100103153847 [0,2,0,0,0,0|1,0,1]=4 494 B13R0.281 C=C(C)CC(OCCCCC)C(=C)C 34a_200000034272_100000718602 [0,2,0,0,0,0|2,0,0]=4 495 B13R0.281 C=C(C)CC(OCCCCC)C(=C)C 7a_200000034272_100000210326 [0,2,0,0,0,0|2,0,0]=4 496 B13R0.287 C#CC(C)OC(C=C)CCCCCC 34a_200011215977_200000035995 [0,2,0,0,0,0|1,0,1]=4 497 B13R0.287 C=CC(CCCCCC)OC(C)C#N 7a_200011215977_100000703298 [0,2,0,0,0,0|1,0,1]=4 498 B13R0.287 C=CC(CCCCCC)OC(C)CC 34a_200011215977_100011215416 [0,2,0,0,0,0|1,0,1]=4 499 B13R0.287 C=CC(CCCCCC)OC(C)CC 7a_200011215977_100000758301 [0,2,0,0,0,0|1,0,1]=4 500 B13R0.287 C=CC(CCCCCC)OC(C)CO 34a_200011215977_100012180447 [0,2,0,0,0,0|0,0,2]=4 501 B13R0.287 C=CC(CCCCCC)OC(C)CO 7a_200011215977_100012180447 [0,2,0,0,0,0|0,0,2]=4 502 B13R0.389 C#CC(C)OC(CC=C)CCCCC 34a_200011216309_200000035995 [0,2,0,0,0,0|1,0,1]=4 503 B13R0.389 C=CCC(CCCCC)OC(C)C#N 7a_200011216309_100000703298 [0,2,0,0,0,0|1,0,1]=4 504 B13R0.389 C=CCC(CCCCC)OC(C)CC 34a_200011216309_100011215416 [0,2,0,0,0,0|1,0,1]=4 505 B13R0.389 C=CCC(CCCCC)OC(C)CC 7a_200011216309_100000758301 [0,2,0,0,0,0|1,0,1]=4 506 B13R0.389 C=CCC(CCCCC)OC(C)CO 34a_200011216309_100012180447 [0,2,0,0,0,0|0,0,2]=4 507 B13R0.389 C=CCC(CCCCC)OC(C)CO 7a_200011216309_100012180447 [0,2,0,0,0,0|0,0,2]=4 508 B13R0.473 C=CC(CCCCC)OC(C=O)C=O 34a_100011216863_100000736813 [0,2,0,0,0,0|0,0,2]=4 509 B13R0.473 C=CC(CCCCC)OC(CC)CC 7a_100011216863_100000210505 [0,2,0,0,0,0|1,0,1]=4 510 B13R0.1051 C=CC(CCCCC)OC(C)CC#N 7a_100011216863_100009813641 [0,2,0,0,0,0|1,0,1]=4 511 B13R0.1051 C=CC(CCCCC)OC(C)CCC 34a_100011216863_100000766640 [0,2,0,0,0,0|1,0,1]=4 512 B13R0.1051 C=CC(CCCCC)OC(C)CCC 7a_100011216863_100000766640 [0,2,0,0,0,0|1,0,1]=4 513 B13R0.1051 C=CC(CCCCC)OC(C)CCO 34a_100011216863_100009893172 [0,2,0,0,0,0|0,0,2]=4 514 B13R0.1051 C=CC(CCCCC)OC(C)CCO 7a_100011216863_100009893172 [0,2,0,0,0,0|0,0,2]=4 515 B13R0.1051 C=CC(CCCCC)OC(C)COC 34a_100011216863_100000765312 [0,2,0,0,0,0|0,0,2]=4 516 B13R0.1051 C=CC(CCCCC)OC(C)COC 7a_100011216863_100000765312 [0,2,0,0,0,0|0,0,2]=4 517 B13R0.1309 C#CC(C)(C)OC(C=C)CCCCC 34a_100011216863_100000038118 [0,2,0,0,0,0|1,0,1]=4 518 B13R0.1309 C=CC(CCCCC)OC(C)(C)C#N 34a_100011216863_100011162410 [0,2,0,0,0,0|1,0,1]=4 519 B13R0.1309 C=CC(CCCCC)OC(C)(C)C#N 7a_100011216863_100011162410 [0,2,0,0,0,0|1,0,1]=4 520 B13R0.1309 C=CC(CCCCC)OC(C)(C)CC 7a_100011216863_100000210677 [0,2,0,0,0,0|1,0,1]=4 521 B13R0.58 C=CC(CCCCCC)OC(C)(C)C 34a_200011215977_100000210625 [0,2,0,0,0,0|1,0,1]=4 522 B13R0.62 C=CC(CCCCCCC)OC(C)C 34a_200011934235_100000210206 [0,2,0,0,0,0|1,0,1]=4 523 B13R0.62 C=CC(CCCCCCC)OC(C)C 7a_200011934235_100000210206 [0,2,0,0,0,0|1,0,1]=4 524 B13R0.388 C=CCC(CCCCC)OC(C)(C)C 34a_200011216309_100000210625 [0,2,0,0,0,0|1,0,1]=4 525 B13R0.1592 C=CC(C)(CCCC(C)C)OC(C)C 34a_200000067283_100000210206 [0,2,0,0,0,0|1,0,1]=4 526 B13R0.1592 C=CC(C)(CCCC(C)C)OC(C)C 7a_200000067283_100000210206 [0,2,0,0,0,0|1,0,1]=4 527 B11R1.77 CC(=O)NC(C)C1CCCC1 11a_100015185923_100015343762 [1,0,0,1,0,0|1,0,1]=4 528 B11R1.77 CC(=O)NC(C)C1CCCC1 1626a_100015185923_100015343762 [1,0,0,1,0,0|1,0,1]=4 529 B11R1.77 CC(=O)NC(C)C1CCCC1 240690a_100015185923_100015343762 [1,0,0,1,0,0|1,0,1]=4 530 B11R1.77 CC(=O)NC(C)C1CCCC1 527a_100015185923_100103153847 [1,0,0,1,0,0|1,0,1]=4 531 B11R1.77 CC(=O)OC(C)N1CCCC1 269982a_100000188435_100009818208 [1,0,0,1,0,0|1,0,1]=4 532 B11R1.120 CCCN1CC(C1)OC(=O)C 269982a_100016994906_100000210303 [1,0,0,1,0,0|1,0,1]=4 533 B11R1.141 CC(=O)OC(C)N1CCC1C 269982a_100000755817_100009818208 [1,0,0,1,0,0|1,0,1]=4 534 B11R1.156 CC(=O)N1C(CCCC1C)C 11a_100000210447_100015343762 [1,0,0,1,0,0|1,0,1]=4 535 B11R1.156 CC(=O)N1C(CCCC1C)C 240690a_100000210447_100015343762 [1,0,0,1,0,0|1,0,1]=4 536 B11R1.157 CC(=O)CC1CCCC(C1)C 1458a_100000748788_200000210301 [1,0,0,1,0,0|1,0,1]=4 537 B11R1.157 CC(=O)NC1CCCC(C1)C 11a_100011194320_100015343762 [1,0,0,1,0,0|1,0,1]=4 538 B11R1.157 CC(=O)NC1CCCC(C1)C 1626a_100011194320_100015343762 [1,0,0,1,0,0|1,0,1]=4 539 B11R1.157 CC(=O)NC1CCCC(C1)C 240690a_100011194320_100015343762 [1,0,0,1,0,0|1,0,1]=4 540 B11R1.157 CC(=O)NC1CCCC(C1)C 527a_100011194320_100103153847 [1,0,0,1,0,0|1,0,1]=4 541 B11R1.157 CC1CCCC(C1)CC(=O)[13CH3] 1458a_100000748788_200025704644 [1,0,0,1,0,0|1,0,1]=4 542 B11R1.484 CC(=O)OC(C)SC1CCC1 62a_100009818208_100000749161 [1,0,0,1,0,0|1,0,1]=4 543 B11R1.485 CC(=O)OC(C)SCC1CC1 62a_100000756562_100009818208 [1,0,0,1,0,0|1,0,1]=4 544 B11R1.485 CC(=O)OC(C)SCC1CC1 62a_100009818208_100000742324 [1,0,0,1,0,0|1,0,1]=4 545 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [1,0,0,1,0,0|1,0,1]=4 546 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [1,0,0,1,0,0|1,0,1]=4 547 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [1,0,0,1,0,0|1,0,1]=4 548 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [1,0,0,1,0,0|1,0,1]=4 549 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [1,0,0,1,0,0|1,0,1]=4 550 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [1,0,0,1,0,0|1,0,1]=4 551 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [1,0,0,1,0,0|1,0,1]=4 552 B11R1.928 CC(=O)CC1(CCCCC1)O 1458a_100000755886_200000210301 [1,0,0,1,0,0|2,0,0]=4 553 B11R1.928 CC(=O)NC1(CCCCC1)C 11a_100000741114_100015343762 [1,0,0,1,0,0|1,0,1]=4 554 B11R1.928 CC(=O)NC1(CCCCC1)C 1626a_100000741114_100015343762 [1,0,0,1,0,0|1,0,1]=4 555 B11R1.928 CC(=O)NC1(CCCCC1)C 240690a_100000741114_100015343762 [1,0,0,1,0,0|1,0,1]=4 556 B11R1.928 CC(=O)NC1(CCCCC1)C 527a_100000741114_100103153847 [1,0,0,1,0,0|1,0,1]=4 557 B11R1.928 [13CH3]C(=O)CC1(CCCCC1)O 1458a_100000755886_200025704644 [1,0,0,1,0,0|2,0,0]=4 558 B11R1.117 CCOC1C=CCCCCC1 34a_100000688657_100000210202 [1,0,0,1,0,0|0,0,1]=3 559 B11R1.117 FCOC1C=CCCCCC1 34a_100000688657_100015361967 [1,0,0,1,0,0|1,0,1]=4 560 B11R1.1253 C=CC1(CCCCC1)OCC 34a_200011934219_100000210202 [1,0,0,1,0,0|0,0,1]=3 561 B11R1.1253 C=CC1(CCCCC1)OCC 7a_200011934219_100000210202 [1,0,0,1,0,0|0,0,1]=3 562 B11R1.1253 C=CC1(CCCCC1)OCF 34a_200011934219_100015361967 [1,0,0,1,0,0|1,0,1]=4 563 B11R1.1253 C=CC1(CCCCC1)OCF 7a_200011934219_100015361967 [1,0,0,1,0,0|1,0,1]=4 564 B11R1.319 C=CC(CCCC)OC1CC1 34a_200011215037_100000211595 [1,0,0,1,0,0|1,0,1]=4 565 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)C 1458a_100000709782_200000210301 [0,0,0,1,1,0|0,0,2]=4 566 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100000709782_200025704644 [0,0,0,1,1,0|0,0,2]=4 567 B11R1.124 CCN[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_100000210202 [0,0,0,1,1,0|2,0,0]=4 568 B11R1.1016 C=C[C@H](NC1CCC1)C(=O)O 269956a_100016992060_100000749161 [0,0,0,1,1,0|2,0,0]=4 569 B11R1.1017 C=C[C@H](NCC1CC1)C(=O)O 269956a_100016992060_100000742324 [0,0,0,1,1,0|2,0,0]=4 570 B11R1.1074 CC(=O)C1(CCCCC1)C#N 1458a_100000745063_200000210301 [0,0,0,1,1,0|1,0,1]=4 571 B11R1.1074 [13CH3]C(=O)C1(CCCCC1)C#N 1458a_100000745063_200025704644 [0,0,0,1,1,0|1,0,1]=4 572 B13R1.658 CCCCSc1ccc(o1)C(=O)C 62a_100000210211_100000229899 [0,0,0,1,0,1|1,0,1]=4 573 B13R1.1022 C=C(C)COC1C=CCCCCC1 34a_100000688657_100000748629 [0,0,0,1,0,1|1,0,0]=3 574 B13R1.1022 C=C(F)COC1C=CCCCCC1 34a_100000688657_100009893438 [0,0,0,1,0,1|1,0,1]=4 575 B13R1.1022 CC(C)COC1C=CCCCCC1 34a_100000688657_100000210624 [0,0,0,1,0,1|1,0,1]=4 576 B13R1.1022 CC(O)COC1C=CCCCCC1 34a_100000688657_100011218427 [0,0,0,1,0,1|0,0,2]=4 577 B13R1.1022 C[C@@H](O)COC1C=CCCCCC1 34a_100000688657_100009817552 [0,0,0,1,0,1|0,0,2]=4 578 B13R1.1022 NC(=O)COC1C=CCCCCC1 34a_100000688657_100000187820 [0,0,0,1,0,1|1,0,0]=3 579 B13R1.1022 O=C([O-])COC1C=CCCCCC1 34a_100000688657_100020667443 [0,0,0,1,0,1|1,0,0]=3 580 B13R1.1022 O=[N+]([O-])COC1C=CCCCCC1 34a_100000688657_100000761209 [0,0,0,1,0,1|2,0,0]=4 581 B13R1.3401 C=CC(CCCCC)OCC1CC1 34a_100011216863_100000742324 [0,0,0,1,0,1|1,0,1]=4 582 B13R1.3401 C=CC(CCCCC)OCC1CC1 7a_100011216863_100000742324 [0,0,0,1,0,1|1,0,1]=4 583 B13R1.3401 C=CC(CCCCC)OCC1CO1 34a_100011216863_102125554688 [0,0,0,1,0,1|0,0,2]=4 584 B13R1.3401 C=CC(CCCCC)OCC1CO1 7a_100011216863_102125554688 [0,0,0,1,0,1|0,0,2]=4 585 B13R1.3401 C=CC(CCCCC)OCC1CS1 7a_100011216863_100000031435 [0,0,0,1,0,1|0,1,1]=4 586 B13R1.3401 C=CC(CCCCC)OC[C@@H]1CO1 7a_100011216863_100000745022 [0,0,0,1,0,1|0,0,2]=4 587 B13R1.5993 C=CC1(CCCCC1)OCC(=C)C 34a_200011934219_100000748629 [0,0,0,1,0,1|1,0,0]=3 588 B13R1.5993 C=CC1(CCCCC1)OCC(=C)C 7a_200011934219_100000748629 [0,0,0,1,0,1|1,0,0]=3 589 B13R1.5993 C=CC1(CCCCC1)OCC(=C)F 34a_200011934219_100009893438 [0,0,0,1,0,1|1,0,1]=4 590 B13R1.5993 C=CC1(CCCCC1)OCC(=C)F 7a_200011934219_100000042424 [0,0,0,1,0,1|1,0,1]=4 591 B13R1.5993 C=CC1(CCCCC1)OCC(=O)N 34a_200011934219_100000187820 [0,0,0,1,0,1|1,0,0]=3 592 B13R1.5993 C=CC1(CCCCC1)OCC(=O)N 7a_200011934219_100000187820 [0,0,0,1,0,1|1,0,0]=3 593 B13R1.5993 C=CC1(CCCCC1)OCC(=O)[O-] 34a_200011934219_100020667443 [0,0,0,1,0,1|1,0,0]=3 594 B13R1.5993 C=CC1(CCCCC1)OCC(C)C 34a_200011934219_100000210624 [0,0,0,1,0,1|1,0,1]=4 595 B13R1.5993 C=CC1(CCCCC1)OCC(C)C 7a_200011934219_100000210760 [0,0,0,1,0,1|1,0,1]=4 596 B13R1.5993 C=CC1(CCCCC1)OCC(C)O 34a_200011934219_100011218427 [0,0,0,1,0,1|0,0,2]=4 597 B13R1.5993 C=CC1(CCCCC1)OCC(C)O 7a_200011934219_100011218427 [0,0,0,1,0,1|0,0,2]=4 598 B13R1.5993 C=CC1(CCCCC1)OC[C@@H](C)O 34a_200011934219_100009817552 [0,0,0,1,0,1|0,0,2]=4 599 B13R1.5993 C=CC1(CCCCC1)OC[C@@H](C)O 7a_200011934219_100009817552 [0,0,0,1,0,1|0,0,2]=4 600 B13R1.5993 C=CC1(CCCCC1)OC[N+](=O)[O-] 34a_200011934219_100000761209 [0,0,0,1,0,1|2,0,0]=4 601 B13R1.1113 CC(=O)NC(C(=O)C)C1CCCC1 1458a_100000234342_200000210301 [0,1,0,1,0,0|1,0,1]=4 602 B13R1.1113 CC(=O)NC(C(=O)[13CH3])C1CCCC1 1458a_100000234342_200025704644 [0,1,0,1,0,0|1,0,1]=4 603 B13R1.8842 CC(=O)NC1(CCCCC1)C(=O)C 1458a_200000194729_200000210301 [0,1,0,1,0,0|1,0,1]=4 604 B13R1.8842 CC(=O)NC1(CCCCC1)C(=O)N 11a_100000746659_100015343762 [0,1,0,1,0,0|2,0,0]=4 605 B13R1.8842 CC(=O)NC1(CCCCC1)C(=O)N 1626a_100000746659_100015343762 [0,1,0,1,0,0|2,0,0]=4 606 B13R1.8842 CC(=O)NC1(CCCCC1)C(=O)N 240690a_100000746659_100015343762 [0,1,0,1,0,0|2,0,0]=4 607 B13R1.8842 CC(=O)NC1(CCCCC1)C(=O)N 527a_100000746659_100103153847 [0,1,0,1,0,0|2,0,0]=4 608 B13R1.8842 CC(=O)NC1(CCCCC1)C(=O)[13CH3] 1458a_200000194729_200025704644 [0,1,0,1,0,0|1,0,1]=4 609 B13R1.1870 C#CC(C)OC1C=CCCCCC1 34a_100000688657_200000035995 [0,1,0,1,0,0|1,0,1]=4 610 B13R1.1870 CC(CO)OC1C=CCCCCC1 34a_100000688657_100012180447 [0,1,0,1,0,0|0,0,2]=4 611 B13R1.1870 CCC(C)OC1C=CCCCCC1 34a_100000688657_100011215416 [0,1,0,1,0,0|1,0,1]=4 612 B13R1.3400 C=CC(CCCCC)OC1CCC1 34a_100011216863_100000749161 [0,1,0,1,0,0|1,0,1]=4 613 B13R1.3400 C=CC(CCCCC)OC1COC1 34a_100011216863_100009818527 [0,1,0,1,0,0|0,0,2]=4 614 B13R1.3400 C=CC(CCCCC)OC1COC1 7a_100011216863_100009818527 [0,1,0,1,0,0|0,0,2]=4 615 B13R1.4942 C#CC(C)OC1(CCCCC1)C=C 34a_200011934219_200000035995 [0,1,0,1,0,0|1,0,1]=4 616 B13R1.4942 C=CC1(CCCCC1)OC(C)C#N 7a_200011934219_100000703298 [0,1,0,1,0,0|1,0,1]=4 617 B13R1.4942 C=CC1(CCCCC1)OC(C)CC 34a_200011934219_100011215416 [0,1,0,1,0,0|1,0,1]=4 618 B13R1.4942 C=CC1(CCCCC1)OC(C)CC 7a_200011934219_100000758301 [0,1,0,1,0,0|1,0,1]=4 619 B13R1.4942 C=CC1(CCCCC1)OC(C)CO 34a_200011934219_100012180447 [0,1,0,1,0,0|0,0,2]=4 620 B13R1.4942 C=CC1(CCCCC1)OC(C)CO 7a_200011934219_100012180447 [0,1,0,1,0,0|0,0,2]=4 621 B13R1.142 CCNC1CCC(CC1)OC(=O)C 270004a_100015525214_200000086378 [0,1,0,1,0,0|0,0,2]=4 622 B13R1.2937 C=CC(CCCCCC)OC1CC1 34a_200011215977_100000211595 [0,1,0,1,0,0|1,0,1]=4 623 B13R1.3499 CC(=O)NC1CCCCN(C1=O)C 11a_100159325733_100015343762 [0,1,0,1,0,0|2,0,0]=4 624 B13R1.3499 CC(=O)NC1CCCCN(C1=O)C 1626a_100159325733_100015343762 [0,1,0,1,0,0|2,0,0]=4 625 B13R1.3499 CC(=O)NC1CCCCN(C1=O)C 240690a_100159325733_100015343762 [0,1,0,1,0,0|2,0,0]=4 626 B13R1.3499 CC(=O)NC1CCCCN(C1=O)C 527a_100159325733_100103153847 [0,1,0,1,0,0|2,0,0]=4 627 B13R1.2777 C=CCC(CCCCC)OC1CC1 34a_200011216309_100000211595 [0,1,0,1,0,0|1,0,1]=4 628 B13R1.7334 C=CCC1(CCCCC1)OC(C)C 34a_200011216858_100000210206 [0,1,0,1,0,0|1,0,1]=4 629 B13R1.7334 C=CCC1(CCCCC1)OC(C)C 7a_200011216858_100000210206 [0,1,0,1,0,0|1,0,1]=4 630 B13R1.6279 CC(C)(C)OC1C=CCCCCC1 34a_100000688657_100000210625 [0,1,0,1,0,0|1,0,1]=4 631 B13R1.6672 C=CC1(CCCCC1)OC(C)(C)C 34a_200011934219_100000210625 [0,1,0,1,0,0|1,0,1]=4 632 B13R2.6839 C1=CC(CCCCC1)OC2CC2 34a_100000688657_100000211595 [0,0,0,2,0,0|1,0,1]=4 633 B13R2.17946 C=CC1(CCCCC1)OC2CC2 34a_200011934219_100000211595 [0,0,0,2,0,0|1,0,1]=4 634 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [1,0,0,0,1,0|0,0,1]=3 635 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [1,0,0,0,1,0|0,0,1]=3 636 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [1,0,0,0,1,0|0,0,1]=3 637 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [1,0,0,0,1,0|1,0,1]=4 638 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [1,0,0,0,1,0|1,0,1]=4 639 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [1,0,0,0,1,0|1,0,1]=4 640 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [1,0,0,0,1,0|1,0,1]=4 641 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [1,0,0,0,1,0|1,0,1]=4 642 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [1,0,0,0,1,0|1,0,1]=4 643 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [1,0,0,0,1,0|1,0,1]=4 644 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [1,0,0,0,1,0|1,0,1]=4 645 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [1,0,0,0,1,0|1,0,1]=4 646 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [1,0,0,0,1,0|1,0,1]=4 647 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [1,0,0,0,1,0|1,0,1]=4 648 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [1,0,0,0,1,0|1,0,1]=4 649 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [1,0,0,0,1,0|1,0,1]=4 650 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [1,0,0,0,1,0|1,0,1]=4 651 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [1,0,0,0,1,0|2,0,0]=4 652 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [1,0,0,0,1,0|0,0,2]=4 653 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [1,0,0,0,1,0|0,0,2]=4 654 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [1,0,0,0,1,0|0,0,2]=4 655 B11R0.46 C=C(C)COC(C)CCCCC 34a_100000210245_200011218191 [1,0,0,0,0,1|1,0,1]=4 656 B11R0.46 C=C(C)COC(C)CCCCC 34a_100011215632_100000748629 [1,0,0,0,0,1|1,0,1]=4 657 B11R0.46 C=C(C)COC(C)CCCCC 7a_100011215632_100000748629 [1,0,0,0,0,1|1,0,1]=4 658 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [1,0,0,0,0,1|1,0,1]=4 659 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [1,0,0,0,0,1|1,0,1]=4 660 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [1,0,0,0,0,1|1,0,1]=4 661 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [1,0,0,0,0,1|0,0,1]=3 662 B11R0.46 CCCCCC(C)OCC(=O)N 34a_100011215632_100000187820 [1,0,0,0,0,1|1,0,1]=4 663 B11R0.46 CCCCCC(C)OCC(=O)N 7a_100011215632_100000187820 [1,0,0,0,0,1|1,0,1]=4 664 B11R0.46 CCCCCC(C)OCC(=O)[O-] 34a_100011215632_100020667443 [1,0,0,0,0,1|1,0,1]=4 665 B11R0.46 CCCCCN(C)COC(=O)C 269982a_100000223495_100000076356 [1,0,0,0,0,1|1,0,1]=4 666 B11R0.46 CCCCNC(C)COC(=O)C 270004a_100000102301_100000000629 [1,0,0,0,0,1|1,0,1]=4 667 B11R0.46 CCCOCC(O)COC(=O)C 34a_100000210258_200000139349 [1,0,0,0,0,1|2,0,0]=4 668 B11R0.46 CCCSCC(O)COC(=O)C 62a_100000210303_200000139349 [1,0,0,0,0,1|2,0,0]=4 669 B11R0.46 CCCSCC(O)COC(=O)C 62a_200000139349_100000210303 [1,0,0,0,0,1|2,0,0]=4 670 B11R0.164 C=CC(CCCC)OCC(=C)C 34a_200011215037_100000748629 [1,0,0,0,0,1|1,0,0]=3 671 B11R0.164 C=CC(CCCC)OCC(=C)C 7a_200011215037_100000748629 [1,0,0,0,0,1|1,0,0]=3 672 B11R0.164 C=CC(CCCC)OCC(=C)F 34a_200011215037_100009893438 [1,0,0,0,0,1|1,0,1]=4 673 B11R0.164 C=CC(CCCC)OCC(=C)F 7a_200011215037_100000042424 [1,0,0,0,0,1|1,0,1]=4 674 B11R0.164 C=CC(CCCC)OCC(=O)N 34a_200011215037_100000187820 [1,0,0,0,0,1|1,0,0]=3 675 B11R0.164 C=CC(CCCC)OCC(=O)N 7a_200011215037_100000187820 [1,0,0,0,0,1|1,0,0]=3 676 B11R0.164 C=CC(CCCC)OCC(=O)[O-] 34a_200011215037_100020667443 [1,0,0,0,0,1|1,0,0]=3 677 B11R0.164 C=CC(CCCC)OCC(C)C 34a_200011215037_100000210624 [1,0,0,0,0,1|1,0,1]=4 678 B11R0.164 C=CC(CCCC)OCC(C)C 7a_200011215037_100000210760 [1,0,0,0,0,1|1,0,1]=4 679 B11R0.164 C=CC(CCCC)OCC(C)O 34a_200011215037_100011218427 [1,0,0,0,0,1|0,0,2]=4 680 B11R0.164 C=CC(CCCC)OCC(C)O 7a_200011215037_100011218427 [1,0,0,0,0,1|0,0,2]=4 681 B11R0.164 C=CC(CCCC)OC[C@@H](C)O 34a_200011215037_100009817552 [1,0,0,0,0,1|0,0,2]=4 682 B11R0.164 C=CC(CCCC)OC[C@@H](C)O 7a_200011215037_100009817552 [1,0,0,0,0,1|0,0,2]=4 683 B11R0.164 C=CC(CCCC)OC[N+](=O)[O-] 34a_200011215037_100000761209 [1,0,0,0,0,1|2,0,0]=4 684 B11R0.164 CCCCC(CC)OCC(=O)C 34a_100000211253_200011216223 [1,0,0,0,0,1|0,0,2]=4 685 B13R0.153 C#CC(CCCCC)OCCC(=O)C 7a_100011216489_100000053229 [0,0,0,0,0,2|0,0,2]=4 686 B13R0.153 C#CC(CCCCC)OCOC(=O)C 34a_100011216489_100009813279 [0,0,0,0,0,2|0,0,2]=4 687 B13R0.153 C=CC(CCCCC)OCC=C(C)C 34a_100011216863_100000761012 [0,0,0,0,0,2|1,0,0]=3 688 B13R0.153 C=CC(CCCCC)OCC=C(C)C 7a_100011216863_100000761012 [0,0,0,0,0,2|1,0,0]=3 689 B13R0.153 C=CC(CCCCC)OCCC(=C)C 34a_100011216863_100000730704 [0,0,0,0,0,2|1,0,0]=3 690 B13R0.153 C=CC(CCCCC)OCCC(=C)C 7a_100011216863_100000730704 [0,0,0,0,0,2|1,0,0]=3 691 B13R0.153 C=CC(CCCCC)OCCC(=O)C 7a_100011216863_100000053229 [0,0,0,0,0,2|0,0,0]=2 692 B13R0.153 C=CC(CCCCC)OCCC(=O)N 34a_100011216863_100000731001 [0,0,0,0,0,2|1,0,0]=3 693 B13R0.153 C=CC(CCCCC)OCCC(=O)N 7a_100011216863_100000744528 [0,0,0,0,0,2|1,0,0]=3 694 B13R0.153 C=CC(CCCCC)OCCC(C)C 34a_100011216863_100000210312 [0,0,0,0,0,2|1,0,1]=4 695 B13R0.153 C=CC(CCCCC)OCCC(C)C 7a_100011216863_100000210626 [0,0,0,0,0,2|1,0,1]=4 696 B13R0.153 C=CC(CCCCC)OCCC(C)O 34a_100011216863_100012276601 [0,0,0,0,0,2|0,0,2]=4 697 B13R0.153 C=CC(CCCCC)OCCC(C)O 7a_100011216863_100012276601 [0,0,0,0,0,2|0,0,2]=4 698 B13R0.153 C=CC(CCCCC)OCCN(C)C 7a_100011216863_100000755713 [0,0,0,0,0,2|2,0,0]=4 699 B13R0.153 C=CC(CCCCC)OCOC(=O)C 34a_100011216863_100009813279 [0,0,0,0,0,2|0,0,0]=2 700 B13R0.153 C=CC(CCCCC)OCOC(C)C 34a_100011216863_100000709892 [0,0,0,0,0,2|1,0,1]=4 701 B13R0.153 CCCCCC(CC)OCCC(=O)C 7a_100011215405_100000053229 [0,0,0,0,0,2|0,0,2]=4 702 B13R0.153 CCCCCC(CC)OCOC(=O)C 34a_100011215405_100009813279 [0,0,0,0,0,2|0,0,2]=4