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C=C(C)CN1CCCCC1C(C)C 34a_100000757267_100000748629 [1,0,0,0,0,0|3,0,0]=4 31 B13R1.589 CC(=O)N[C@@H]1CCCC[C@H]1N(C)C 11a_100009817265_100015343762 [1,0,0,0,0,0|2,0,0]=3 32 B13R1.589 CC(=O)N[C@@H]1CCCC[C@H]1N(C)C 240690a_100009817265_100015343762 [1,0,0,0,0,0|2,0,0]=3 33 B13R1.589 CC(=O)N[C@@H]1CCCC[C@H]1N(C)C 527a_100009817265_100103153847 [1,0,0,0,0,0|2,0,0]=3 34 B13R1.589 CC(C)C1CCCCN1CC(=O)N 2230a_100000757267_100000747473 [1,0,0,0,0,0|3,0,0]=4 35 B13R1.589 CC(C)C1CCCCN1CC(=O)N 269982a_100000757267_100000187820 [1,0,0,0,0,0|3,0,0]=4 36 B13R1.589 CC(C)C1CCCCN1CC(=O)N 34a_100000757267_100000187820 [1,0,0,0,0,0|3,0,0]=4 37 B13R1.589 CC(C)C1CCCCN1CC(=O)[O-] 269982a_100000757267_100020667443 [1,0,0,0,0,0|3,0,0]=4 38 B13R1.589 CC(C)C1CCCCN1CC(=O)[O-] 34a_100000757267_100020667443 [1,0,0,0,0,0|3,0,0]=4 39 B13R1.589 CC(C)N1CCCCC1CC(=O)N 2230a_100015184752_100000210206 [1,0,0,0,0,0|3,0,0]=4 40 B13R1.589 CC(C)N1CCCCC1CC(=O)N 269982a_100015184752_100000210206 [1,0,0,0,0,0|3,0,0]=4 41 B13R1.589 CC(C)N1CCCCC1CC(=O)N 34a_100015184752_100000210206 [1,0,0,0,0,0|3,0,0]=4 42 B13R1.589 CC(C)OC1CCCCC1C(C)C 34a_100011709184_100000210206 [1,0,0,0,0,0|1,0,1]=3 43 B13R1.589 CC(C)OC1CCCCC1C(C)C 7a_100011709184_100000210206 [1,0,0,0,0,0|1,0,1]=3 44 B15R1.134 CC(C)[C@@H]1CC[C@H](C[C@H]1NC(C)(C)C)C 34a_100025773825_100000210625 [0,1,0,0,0,0|2,0,1]=4 45 B15R1.134 CC(C)[C@@H]1CC[C@H](C[C@H]1NS(=O)(=O)C)C 40a_100025773825_100000738038 [0,1,0,0,0,0|2,0,0]=3 46 B15R1.134 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(C)(C)C)C 34a_100000763588_100000210625 [0,1,0,0,0,0|1,0,1]=3 47 B15R1.134 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(C)(C)C)C 34a_100015890283_200009893639 [0,1,0,0,0,0|1,0,1]=3 48 B15R1.134 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(F)(F)F)C 34a_100000763588_200103152311 [0,1,0,0,0,0|2,0,1]=4 49 B15R1.134 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(F)(F)F)C 7a_100000763588_200000243211 [0,1,0,0,0,0|2,0,1]=4 50 B15R1.134 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC(C)(C)C)C 62a_100000211941_200009893639 [0,1,0,0,0,0|1,1,1]=4 51 B15R1.134 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC(C)(C)C)C 62a_200009893639_100000211941 [0,1,0,0,0,0|1,1,1]=4 52 B15R1.3825 C#CC(C)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_200000035995 [0,1,0,0,0,0|2,0,1]=4 53 B15R1.3825 C#CC(C)N[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000707721_200009893639 [0,1,0,0,0,0|2,0,1]=4 54 B15R1.3825 C#CC(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_200000035995 [0,1,0,0,0,0|1,0,1]=3 55 B15R1.3825 C#CC(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200000035995_200009893639 [0,1,0,0,0,0|1,1,1]=4 56 B15R1.3825 C#C[C@@H](C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100009815206_200009893639 [0,1,0,0,0,0|1,0,1]=3 57 B15R1.3825 C=CC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1626a_100025773825_100000185746 [0,1,0,0,0,0|1,0,1]=3 58 B15R1.3825 C=CC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 240690a_100025773825_200121576911 [0,1,0,0,0,0|1,0,1]=3 59 B15R1.3825 C=CC(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000695699_200009893639 [0,1,0,0,0,0|1,0,1]=3 60 B15R1.3825 C=CC(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100011215867_200009893639 [0,1,0,0,0,0|1,1,1]=4 61 B15R1.3825 CC(C#N)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100000184139 [0,1,0,0,0,0|2,0,1]=4 62 B15R1.3825 CC(C#N)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100011218135_200009893639 [0,1,0,0,0,0|1,0,1]=3 63 B15R1.3825 CC(C#N)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000703298 [0,1,0,0,0,0|1,0,1]=3 64 B15R1.3825 CC(C#N)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100000703298_200009893639 [0,1,0,0,0,0|1,1,1]=4 65 B15R1.3825 CC(C#N)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100000703298 [0,1,0,0,0,0|1,1,1]=4 66 B15R1.3825 CC(C)[C@@H]1CC[C@H](CC1N[C@H](C)CF)C 269862a_100102880703_100009815803 [0,1,0,0,0,0|2,0,1]=4 67 B15R1.3825 CC(C)[C@@H]1CC[C@H](CC1N[C@H](C)CO)C 269862a_100000737577_100009815803 [0,1,0,0,0,0|1,0,2]=4 68 B15R1.3825 CC(C)[C@@H]1CC[C@H](C[C@H]1NC(=O)CO)C 240690a_100025773825_100000210174 [0,1,0,0,0,0|1,0,0]=2 69 B15R1.3825 CC(C)[C@H]1CC[C@@H](C[C@@H]1S[C@H](C)CO)C 62a_100016084084_200009893639 [0,1,0,0,0,0|0,1,2]=4 70 B15R1.3825 CC(C)[C@H]1CC[C@@H](C[C@@H]1S[C@H](C)CO)C 62a_200009893639_100016084084 [0,1,0,0,0,0|0,1,2]=4 71 B15R1.3825 CC(CF)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100016041109_200009893639 [0,1,0,0,0,0|1,0,1]=3 72 B15R1.3825 CC(CN)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000210904_200009893639 [0,1,0,0,0,0|1,0,1]=3 73 B15R1.3825 CC(CO)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100012180447 [0,1,0,0,0,0|1,0,2]=4 74 B15R1.3825 CC(CO)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_100012180447 [0,1,0,0,0,0|1,0,2]=4 75 B15R1.3825 CC(CO)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100012180447 [0,1,0,0,0,0|0,0,2]=3 76 B15R1.3825 CC(CO)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100012180447 [0,1,0,0,0,0|0,0,2]=3 77 B15R1.3825 CC(CO)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100012180447_200009893639 [0,1,0,0,0,0|0,1,2]=4 78 B15R1.3825 CCC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 11a_100025773825_100000210414 [0,1,0,0,0,0|1,0,0]=2 79 B15R1.3825 CCC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1626a_100025773825_100000210414 [0,1,0,0,0,0|1,0,0]=2 80 B15R1.3825 CCC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 240690a_100025773825_100000210414 [0,1,0,0,0,0|1,0,0]=2 81 B15R1.3825 CCC(C)NC1C[C@@H](CC[C@H]1C(C)C)C 269862a_100000209981_100009815803 [0,1,0,0,0,0|2,0,1]=4 82 B15R1.3825 CCC(C)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100000758301 [0,1,0,0,0,0|2,0,1]=4 83 B15R1.3825 CCC(C)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_100011215416 [0,1,0,0,0,0|2,0,1]=4 84 B15R1.3825 CCC(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100011215416 [0,1,0,0,0,0|1,0,1]=3 85 B15R1.3825 CCC(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000758301 [0,1,0,0,0,0|1,0,1]=3 86 B15R1.3825 CCC(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100000758301_200009893639 [0,1,0,0,0,0|1,1,1]=4 87 B15R1.3825 CCC(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100000758301 [0,1,0,0,0,0|1,1,1]=4 88 B15R1.3825 CNC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2708a_100102657272_100025773825 [0,1,0,0,0,0|1,0,0]=2 89 B15R1.3825 CNC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 273464a_100025773825_100102657272 [0,1,0,0,0,0|1,0,0]=2 90 B15R1.3825 CNC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 273464a_100102657272_100025773825 [0,1,0,0,0,0|1,0,0]=2 91 B15R1.3825 CNC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 512a_100025773825_100102657272 [0,1,0,0,0,0|1,0,0]=2 92 B15R1.3825 CNC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 512a_106832991638_100025773825 [0,1,0,0,0,0|1,0,0]=2 93 B15R1.3825 COC(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100009879195_200009893639 [0,1,0,0,0,0|0,1,2]=4 94 B15R1.3825 COC(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100009879195 [0,1,0,0,0,0|0,1,2]=4 95 B15R1.8416 C=C(C)C(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100000185857_200009893639 [0,1,0,0,0,0|2,0,0]=3 96 B15R1.8416 CC(C)C(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1458a_100009868045_100000210206 [0,1,0,0,0,0|2,0,1]=4 97 B15R1.8416 CC(C)C(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100000210198_200009893639 [0,1,0,0,0,0|2,0,1]=4 98 B15R1.8416 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)N(C)C)C 11a_100102631434_100009868045 [0,1,0,0,0,0|3,0,0]=4 99 B15R1.8416 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)N(C)C)C 1626a_100102631434_100009868045 [0,1,0,0,0,0|3,0,0]=4 100 B15R1.8416 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)N(C)C)C 240690a_100102631434_100009868045 [0,1,0,0,0,0|3,0,0]=4 101 B15R1.8416 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)N(C)C)C 527a_100102631434_100009868045 [0,1,0,0,0,0|3,0,0]=4 102 B15R1.8416 CC(C)[C@H]1CC[C@@H](C[C@@H]1C(=O)[C@@H](C)O)C 1458a_100000717761_200009893639 [0,1,0,0,0,0|1,0,2]=4 103 B15R1.8416 CC(C)[C@H]1CC[C@@H](C[C@@H]1C(=O)[C@H](C)O)C 1458a_217856618621_200009893639 [0,1,0,0,0,0|1,0,2]=4 104 B15R1.8416 CC(C)[C@H]1CC[C@@H](C[C@@H]1N(C)C(C)C)C 269982a_200000211004_200009893639 [0,1,0,0,0,0|2,0,1]=4 105 B15R1.8416 CC(F)C(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100000062450_200009893639 [0,1,0,0,0,0|2,0,1]=4 106 B15R1.8416 CC1CCC(C(C1)N(C)C(C)C)C(C)C 269982a_200000200261_200000210301 [0,1,0,0,0,0|2,0,1]=4 107 B15R1.8416 CC1CCC(C(C1)N(C)C(C)C)C(C)C 34a_200000200261_200000210301 [0,1,0,0,0,0|2,0,1]=4 108 B15R1.8416 CC1CCC(C(C1)N([13CH3])C(C)C)C(C)C 269982a_200000200261_200025704644 [0,1,0,0,0,0|2,0,1]=4 109 B15R1.8416 CC1CCC(C(C1)N([13CH3])C(C)C)C(C)C 34a_200000200261_200025704644 [0,1,0,0,0,0|2,0,1]=4 110 B13R0.52 CC(=O)N[C@@H](CC(C)C)C(=O)C(C)C 1458a_100000699969_100000210206 [0,0,1,0,0,0|2,0,1]=4 111 B13R0.53 CC(C)CCN(CCC(=O)N)C(C)C 2230a_100011191440_100000210312 [0,0,1,0,0,0|3,0,0]=4 112 B13R0.53 CC(C)CCN(CCC(=O)N)C(C)C 269982a_100011191440_100000210312 [0,0,1,0,0,0|3,0,0]=4 113 B13R0.1310 C=C(C)CN(C)C(CCCC)C(C)C 270004a_100000225649_200011215219 [0,0,1,0,0,0|3,0,0]=4 114 B13R0.1310 CC(=O)OC(C)N(CCCO)C(C)C 269982a_100000182298_100009818208 [0,0,1,0,0,0|2,0,0]=3 115 B13R0.1310 CCCCC(C(C)C)N(C)CC(=O)N 270004a_100000739694_200011215219 [0,0,1,0,0,0|3,0,0]=4 116 B13R0.1310 CCCCN(C(C)C)C(C)OC(=O)C 269982a_100000207398_100009818208 [0,0,1,0,0,0|1,0,0]=2 117 B13R0.1310 COCCN(C(C)C)C(C)OC(=O)C 269982a_200000223778_100009818208 [0,0,1,0,0,0|2,0,0]=3 118 B13R0.1398 C=C(C)CCNC(C)CCCC(C)C 2230a_100000210607_100000730704 [0,0,1,0,0,0|3,0,0]=4 119 B13R0.1398 C=C(C)CCOC(C)CCCC(C)C 34a_200011218570_100000730704 [0,0,1,0,0,0|3,0,0]=4 120 B13R0.1398 C=C(C)CCOC(C)CCCC(C)C 7a_200011218570_100000730704 [0,0,1,0,0,0|3,0,0]=4 121 B13R0.1398 CC(=CCCC(C)CCNC(C)C)C 2230a_100138425928_100009814015 [0,0,1,0,0,0|3,0,0]=4 122 B13R0.1398 CC(=CCCC(C)CCNC(C)C)C 34a_100138425928_100009814015 [0,0,1,0,0,0|3,0,0]=4 123 B13R0.1398 CC(=CCCC(C)CCOC(C)C)C 34a_100000017536_100000210206 [0,0,1,0,0,0|3,0,0]=4 124 B13R0.1398 CC(=CCCC(C)CCOC(C)C)C 34a_100000212225_100009814015 [0,0,1,0,0,0|3,0,0]=4 125 B13R0.1398 CC(=CCCC(C)CCOC(C)C)C 7a_100000017536_100000210206 [0,0,1,0,0,0|3,0,0]=4 126 B13R0.1398 CC(=CCCC(C)CCSC(C)C)C 62a_100000210206_100009814015 [0,0,1,0,0,0|3,0,0]=4 127 B13R0.1398 CC(=CCCC(C)CCSC(C)C)C 62a_100009814015_100000210206 [0,0,1,0,0,0|3,0,0]=4 128 B13R0.1398 CC(=CCCC(C)CNCC(C)C)C 270004a_100000210953_100000033009 [0,0,1,0,0,0|3,0,0]=4 129 B13R0.1398 CC(=CCCC(C)NCCC(C)C)C 270004a_100000210545_100000765506 [0,0,1,0,0,0|3,0,0]=4 130 B13R0.1398 CC(=CCCC(C)OCCC(C)C)C 34a_100102619829_100000210312 [0,0,1,0,0,0|3,0,0]=4 131 B13R0.1398 CC(=CCCC(C)OCCC(C)C)C 7a_100102619829_100000210626 [0,0,1,0,0,0|3,0,0]=4 132 B13R0.1398 CC(=CCNC(C)CCCC(C)C)C 2230a_100000210607_100000761012 [0,0,1,0,0,0|3,0,0]=4 133 B13R0.1398 CC(=CCNC(C)CCCC(C)C)C 270004a_100000718196_100000753411 [0,0,1,0,0,0|3,0,0]=4 134 B13R0.1398 CC(=CCOC(C)CCCC(C)C)C 34a_200011218570_100000761012 [0,0,1,0,0,0|3,0,0]=4 135 B13R0.1398 CC(=CCOC(C)CCCC(C)C)C 7a_200011218570_100000761012 [0,0,1,0,0,0|3,0,0]=4 136 B13R0.1398 CC(=O)CCCC(=O)CCCC(C)C 1458a_100011216857_100011215641 [0,0,1,0,0,0|2,0,1]=4 137 B13R0.1398 CC(=O)CCCN(C)CCCN(C)C 269982a_100000225831_100011215641 [0,0,1,0,0,0|3,0,0]=4 138 B13R0.1398 CC(=O)CCOC(C)CCCC(C)C 7a_200011218570_100000053229 [0,0,1,0,0,0|2,0,0]=3 139 B13R0.1398 CC(=O)NCCC(=O)CCCC(C)C 1458a_100000183196_100011214892 [0,0,1,0,0,0|2,0,1]=4 140 B13R0.1398 CC(=O)NCCC(=O)CCCC(C)C 1458a_100011216857_100000189650 [0,0,1,0,0,0|2,0,1]=4 141 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 1626a_102516457229_100015343762 [0,0,1,0,0,0|1,0,0]=2 142 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 240690a_102516457229_100015343762 [0,0,1,0,0,0|1,0,0]=2 143 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 527a_102516457229_100103153847 [0,0,1,0,0,0|1,0,0]=2 144 B13R0.1398 CC(=O)NCCN(C)CCCN(C)C 269982a_100000225831_100000189650 [0,0,1,0,0,0|3,0,0]=4 145 B13R0.1398 CC(=O)OCCC(=O)CCCC(C)C 1458a_100011216857_100009814007 [0,0,1,0,0,0|1,0,1]=3 146 B13R0.1398 CC(=O)OCCC(=O)COCC(C)C 1458a_100011223364_100009814007 [0,0,1,0,0,0|2,0,1]=4 147 B13R0.1398 CC(=O)OCCN(C)CCCN(C)C 269982a_100000225831_100009814007 [0,0,1,0,0,0|2,0,0]=3 148 B13R0.1398 CC(=O)OCOC(C)CCC=C(C)C 34a_100102619829_100009813279 [0,0,1,0,0,0|1,0,2]=4 149 B13R0.1398 CC(=O)OCOC(C)CCCC(C)C 34a_200011218570_100009813279 [0,0,1,0,0,0|1,0,0]=2 150 B13R0.1398 CC(=O)SCCC(=O)CCCC(C)C 1458a_100000048949_100011214892 [0,0,1,0,0,0|1,1,1]=4 151 B13R0.1398 CC(C)CCCC(=O)CCOC(=O)N 1458a_100011216857_200011214921 [0,0,1,0,0,0|2,0,1]=4 152 B13R0.1398 CC(C)CCCC(C)CCNC(C)C 2230a_100138425928_100009816328 [0,0,1,0,0,0|2,0,1]=4 153 B13R0.1398 CC(C)CCCC(C)CCNC(C)C 2230a_102516457229_100000210206 [0,0,1,0,0,0|2,0,1]=4 154 B13R0.1398 CC(C)CCCC(C)CCNC(C)C 34a_100138425928_100009816328 [0,0,1,0,0,0|2,0,1]=4 155 B13R0.1398 CC(C)CCCC(C)CCOC(C)C 34a_100000015991_100000210206 [0,0,1,0,0,0|1,0,1]=3 156 B13R0.1398 CC(C)CCCC(C)CCOC(C)C 34a_100000212225_100009816328 [0,0,1,0,0,0|1,0,1]=3 157 B13R0.1398 CC(C)CCCC(C)CCOC(C)C 7a_100000015991_100000210206 [0,0,1,0,0,0|1,0,1]=3 158 B13R0.1398 CC(C)CCCC(C)CCSC(C)C 62a_100000210206_100009816328 [0,0,1,0,0,0|1,1,1]=4 159 B13R0.1398 CC(C)CCCC(C)CCSC(C)C 62a_100009816328_100000210206 [0,0,1,0,0,0|1,1,1]=4 160 B13R0.1398 CC(C)CCCC(C)NCCC(=O)N 2230a_100000210607_100000744528 [0,0,1,0,0,0|3,0,0]=4 161 B13R0.1398 CC(C)CCCC(C)NCOC(C)C 2230a_100000210607_100000709892 [0,0,1,0,0,0|2,0,1]=4 162 B13R0.1398 CC(C)CCCC(C)OCCC(=O)N 34a_200011218570_100000731001 [0,0,1,0,0,0|3,0,0]=4 163 B13R0.1398 CC(C)CCCC(C)OCCC(=O)N 7a_200011218570_100000744528 [0,0,1,0,0,0|3,0,0]=4 164 B13R0.1398 CC(C)CCCC(C)OCOC(C)C 34a_200011218570_100000709892 [0,0,1,0,0,0|2,0,1]=4 165 B13R0.1398 CC(C)CCCN(C)CCCC(=O)O 269956a_100000719178_100011214892 [0,0,1,0,0,0|3,0,0]=4 166 B13R0.1398 CC(C)CCNC(C)CCOC(C)C 270004a_100000210545_200011219172 [0,0,1,0,0,0|2,0,1]=4 167 B13R0.1398 CC(C)CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210626 [0,0,1,0,0,0|3,0,0]=4 168 B13R0.1398 CN(C)CCCN(C)CCOC(=O)N 269982a_100000225831_200011214921 [0,0,1,0,0,0|3,0,0]=4 169 B15R2.7569 CC(C)[C@@H]1CC[C@H](C[C@H]1NC2CC2)C 34a_100025773825_100000211595 [0,0,0,1,0,0|2,0,1]=4 170 B15R2.7569 CC(C)[C@H]1CC[C@@H](C[C@@H]1NC2CC2)C 34a_100000212008_200009893639 [0,0,0,1,0,0|2,0,1]=4 171 B15R2.7569 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC2CC2)C 34a_100000763588_100000211595 [0,0,0,1,0,0|1,0,1]=3 172 B15R2.7569 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC2CC2)C 62a_200009893639_100000211595 [0,0,0,1,0,0|1,1,1]=4 173 B13R1.165 CC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1458a_100009868045_200000210301 [0,0,0,0,1,0|0,0,0]=1 174 B13R1.165 CC(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100000070787_200009893639 [0,0,0,0,1,0|0,0,0]=1 175 B13R1.165 CC(C)N1CCN(CC1C(=O)O)C 269956a_100020626280_100000210206 [0,0,0,0,1,0|3,0,0]=4 176 B13R1.165 CC(C)N1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210206 [0,0,0,0,1,0|2,0,0]=3 177 B13R1.165 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)[13CH3])C 1458a_100009868045_200025704644 [0,0,0,0,1,0|0,0,0]=1 178 B13R1.165 CC(C)[C@H]1CC[C@@H](C[C@@H]1N(C)C)C 269982a_100102631434_200009893639 [0,0,0,0,1,0|2,0,0]=3 179 B15R1.8435 C=C(C)CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100000748629 [0,0,0,0,0,1|2,0,0]=3 180 B15R1.8435 C=C(C)CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_100000748629 [0,0,0,0,0,1|2,0,0]=3 181 B15R1.8435 C=C(C)CO[C@@H]1C[C@@H](CC[C@H]1C(=C)C)C 34a_100016197468_100000748629 [0,0,0,0,0,1|1,0,2]=4 182 B15R1.8435 C=C(C)CO[C@@H]1C[C@@H](CC[C@H]1C(=C)C)C 7a_100016197468_100000748629 [0,0,0,0,0,1|1,0,2]=4 183 B15R1.8435 C=C(C)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000210245_200009893639 [0,0,0,0,0,1|1,0,0]=2 184 B15R1.8435 C=C(C)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100000748629 [0,0,0,0,0,1|1,0,0]=2 185 B15R1.8435 C=C(C)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000748629 [0,0,0,0,0,1|1,0,0]=2 186 B15R1.8435 C=C(C)CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100000748629_200009893639 [0,0,0,0,0,1|1,1,0]=3 187 B15R1.8435 C=C(C)CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100000211660 [0,0,0,0,0,1|1,1,0]=3 188 B15R1.8435 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCC(=O)N)C 34a_100016197468_100000187820 [0,0,0,0,0,1|1,0,2]=4 189 B15R1.8435 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCC(=O)N)C 7a_100016197468_100000187820 [0,0,0,0,0,1|1,0,2]=4 190 B15R1.8435 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCC(=O)[O-])C 34a_100016197468_100020667443 [0,0,0,0,0,1|1,0,2]=4 191 B15R1.8435 C=C(F)CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100009893438 [0,0,0,0,0,1|2,0,1]=4 192 B15R1.8435 C=C(F)CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_100009893438 [0,0,0,0,0,1|2,0,1]=4 193 B15R1.8435 C=C(F)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100009893438 [0,0,0,0,0,1|1,0,1]=3 194 B15R1.8435 C=C(F)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_200010262243_200009893639 [0,0,0,0,0,1|1,0,1]=3 195 B15R1.8435 C=C(F)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000042424 [0,0,0,0,0,1|1,0,1]=3 196 B15R1.8435 C=C(F)CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100000042424_200009893639 [0,0,0,0,0,1|1,1,1]=4 197 B15R1.8435 C=C(F)CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100000042424 [0,0,0,0,0,1|1,1,1]=4 198 B15R1.8435 CC(=O)COC1CC(CCC1C(C)C)C 1458a_100000239268_200000210301 [0,0,0,0,0,1|0,0,0]=1 199 B15R1.8435 CC(=O)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000211253_200009893639 [0,0,0,0,0,1|0,0,0]=1 200 B15R1.8435 CC(=O)NN=C1C[C@@H](CC[C@H]1C(C)C)C 4a_100000189765_100009815803 [0,0,0,0,0,1|1,0,1]=3 201 B15R1.8435 CC(Br)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100012180447_200009893639 [0,0,0,0,0,1|1,0,1]=3 202 B15R1.8435 CC(C)CNC1C[C@@H](CC[C@H]1C(C)C)C 269862a_100000210953_100009815803 [0,0,0,0,0,1|2,0,1]=4 203 B15R1.8435 CC(C)CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100000210760 [0,0,0,0,0,1|2,0,1]=4 204 B15R1.8435 CC(C)CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 270004a_100025773825_100000210432 [0,0,0,0,0,1|2,0,1]=4 205 B15R1.8435 CC(C)CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_100000210624 [0,0,0,0,0,1|2,0,1]=4 206 B15R1.8435 CC(C)CN[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000210953_200009893639 [0,0,0,0,0,1|2,0,1]=4 207 B15R1.8435 CC(C)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000210257_200009893639 [0,0,0,0,0,1|1,0,1]=3 208 B15R1.8435 CC(C)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100000210624 [0,0,0,0,0,1|1,0,1]=3 209 B15R1.8435 CC(C)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000210760 [0,0,0,0,0,1|1,0,1]=3 210 B15R1.8435 CC(C)CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100000210624_200009893639 [0,0,0,0,0,1|1,1,1]=4 211 B15R1.8435 CC(C)CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100000210760 [0,0,0,0,0,1|1,1,1]=4 212 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC(=O)N)C 2230a_100025773825_100000747473 [0,0,0,0,0,1|2,0,0]=3 213 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC(=O)N)C 34a_100025773825_100000187820 [0,0,0,0,0,1|2,0,0]=3 214 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC(=O)[O-])C 34a_100025773825_100020667443 [0,0,0,0,0,1|2,0,0]=3 215 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@H]1NC[C@@H](C)O)C 2230a_100025773825_100009817552 [0,0,0,0,0,1|1,0,2]=4 216 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@H]1NC[C@@H](C)O)C 34a_100025773825_100009817552 [0,0,0,0,0,1|1,0,2]=4 217 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@H]1NC[N+](=O)[O-])C 34a_100025773825_100000761209 [0,0,0,0,0,1|3,0,0]=4 218 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1NCC(=O)O)C 269956a_100016091260_200009893639 [0,0,0,0,0,1|2,0,0]=3 219 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(=O)N)C 34a_100000763588_100000187820 [0,0,0,0,0,1|1,0,0]=2 220 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(=O)N)C 7a_100000763588_100000187820 [0,0,0,0,0,1|1,0,0]=2 221 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(=O)[O-])C 34a_100000763588_100020667443 [0,0,0,0,0,1|1,0,0]=2 222 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(F)F)C 34a_100000743014_200009893639 [0,0,0,0,0,1|2,0,1]=4 223 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(F)F)C 34a_100000763588_100011934356 [0,0,0,0,0,1|2,0,1]=4 224 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(F)F)C 7a_100000763588_100011934356 [0,0,0,0,0,1|2,0,1]=4 225 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[C@@H](C)Cl)C 34a_100016084084_200009893639 [0,0,0,0,0,1|1,0,1]=3 226 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[C@@H](C)N)C 34a_100000737577_200009893639 [0,0,0,0,0,1|1,0,1]=3 227 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[C@@H](C)O)C 34a_100000763588_100009817552 [0,0,0,0,0,1|0,0,2]=3 228 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[C@@H](C)O)C 7a_100000763588_100009817552 [0,0,0,0,0,1|0,0,2]=3 229 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[N+](=O)[O-])C 34a_100000763588_100000761209 [0,0,0,0,0,1|2,0,0]=3 230 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC(=O)N)C 62a_100000747473_200009893639 [0,0,0,0,0,1|1,1,0]=3 231 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC(=O)N)C 62a_200009893639_100000747473 [0,0,0,0,0,1|1,1,0]=3 232 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC(=O)[O-])C 62a_100020667443_200009893639 [0,0,0,0,0,1|1,1,0]=3 233 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC(=O)[O-])C 62a_200009893639_100020667443 [0,0,0,0,0,1|1,1,0]=3 234 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC[C@@H](C)O)C 62a_100009817552_200009893639 [0,0,0,0,0,1|0,1,2]=4 235 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC[C@@H](C)O)C 62a_200009893639_100009817552 [0,0,0,0,0,1|0,1,2]=4 236 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC[N+](=O)[O-])C 62a_200009893639_100000761209 [0,0,0,0,0,1|2,1,0]=4 237 B15R1.8435 CC(F)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100015925927_200009893639 [0,0,0,0,0,1|1,0,1]=3 238 B15R1.8435 CC(O)CNC1C[C@@H](CC[C@H]1C(C)C)C 269862a_100000210904_100009815803 [0,0,0,0,0,1|1,0,2]=4 239 B15R1.8435 CC(O)CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100011218427 [0,0,0,0,0,1|1,0,2]=4 240 B15R1.8435 CC(O)CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_100011218427 [0,0,0,0,0,1|1,0,2]=4 241 B15R1.8435 CC(O)CN[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000210904_200009893639 [0,0,0,0,0,1|1,0,2]=4 242 B15R1.8435 CC(O)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100011218427 [0,0,0,0,0,1|0,0,2]=3 243 B15R1.8435 CC(O)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100011218427 [0,0,0,0,0,1|0,0,2]=3 244 B15R1.8435 CC(O)CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100011218427_200009893639 [0,0,0,0,0,1|0,1,2]=4 245 B15R1.8435 CC(O)CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100011218427 [0,0,0,0,0,1|0,1,2]=4 246 B15R1.8435 CC1CCC(C(C1)OCC(=O)[13CH3])C(C)C 1458a_100000239268_200025704644 [0,0,0,0,0,1|0,0,0]=1 247 B12R0.41 CC(=O)NC(CC(C)C)CC(C)C 11a_100000751966_100015343762 [1,0,1,0,0,0|1,0,0]=3 248 B12R0.41 CC(=O)NC(CC(C)C)CC(C)C 1626a_100000751966_100015343762 [1,0,1,0,0,0|1,0,0]=3 249 B12R0.41 CC(=O)NC(CC(C)C)CC(C)C 240690a_100000751966_100015343762 [1,0,1,0,0,0|1,0,0]=3 250 B12R0.41 CC(=O)NC(CC(C)C)CC(C)C 527a_100000751966_100103153847 [1,0,1,0,0,0|1,0,0]=3 251 B12R0.41 CC(C)CC(CC(C)C)OC(C)C 34a_100011219621_100000210206 [1,0,1,0,0,0|1,0,1]=4 252 B12R0.41 CC(C)CC(CC(C)C)OC(C)C 7a_100011219621_100000210206 [1,0,1,0,0,0|1,0,1]=4 253 B12R0.55 CC(=O)OCN(CCCO)C(C)C 269982a_100000182298_100000076356 [1,0,1,0,0,0|2,0,0]=4 254 B12R0.55 CCCCN(CCC(=O)C)C(C)C 269982a_100000207398_100000053229 [1,0,1,0,0,0|2,0,0]=4 255 B12R0.55 CCCCN(COC(=O)C)C(C)C 269982a_100000207398_100000076356 [1,0,1,0,0,0|1,0,0]=3 256 B12R0.55 COCCN(COC(=O)C)C(C)C 269982a_200000223778_100000076356 [1,0,1,0,0,0|2,0,0]=4 257 B12R0.540 CC(=O)OCC(CCl)OCC(C)C 7a_200000139349_100000210760 [1,0,1,0,0,0|2,0,0]=4 258 B12R0.540 CCN(CCC(=O)C)CCC(C)C 269982a_100000207693_100000053229 [1,0,1,0,0,0|2,0,0]=4 259 B12R0.540 CCN(CCC(C)C)COC(=O)C 269982a_100000207693_100000076356 [1,0,1,0,0,0|1,0,0]=3 260 B12R0.540 CCN(CCN(C)C)COC(=O)C 269982a_100000225870_100000076356 [1,0,1,0,0,0|2,0,0]=4 261 B12R0.399 CC=CC(CC(C)C)OC(C)CC 34a_100020643927_100011215416 [1,0,1,0,0,0|2,0,0]=4 262 B12R0.399 CC=CC(CC(C)C)OC(C)CC 7a_100020643927_100000758301 [1,0,1,0,0,0|2,0,0]=4 263 B12R0.215 CCCCC(CC)C(C)OC(C)C 34a_200011290779_100000210206 [1,0,1,0,0,0|1,0,1]=4 264 B12R0.215 CCCCC(CC)C(C)OC(C)C 7a_200011290779_100000210206 [1,0,1,0,0,0|1,0,1]=4 265 B12R0.215 CCCCN(CC)C(C)OC(=O)C 269982a_100000207695_100009818208 [1,0,1,0,0,0|1,0,0]=3 266 B12R0.215 CCN(CCOC)C(C)OC(=O)C 269982a_100000731262_100009818208 [1,0,1,0,0,0|2,0,0]=4 267 B12R0.411 CC(=O)OC(C)N(CCO)C(C)C 269982a_100000224655_100009818208 [1,0,1,0,0,0|2,0,0]=4 268 B12R0.411 CCCN(C(C)C)C(C)OC(=O)C 269982a_106256033942_100009818208 [1,0,1,0,0,0|1,0,0]=3 269 B12R0.233 C/C=C/COC(C)CCCC(C)C 34a_200011218570_100102629194 [1,0,1,0,0,0|2,0,0]=4 270 B12R0.233 C/C=C/COC(C)CCCC(C)C 7a_200011218570_100102629194 [1,0,1,0,0,0|2,0,0]=4 271 B12R0.233 CC(=O)OCCN(C)CCCCO 269982a_100000717598_100009814007 [1,0,1,0,0,0|2,0,0]=4 272 B12R0.233 CC(C)CCCC(C)CCOCF 34a_100000015991_100015361967 [1,0,1,0,0,0|1,0,1]=4 273 B12R0.233 CC(C)CCCC(C)CCOCF 7a_100000015991_100015361967 [1,0,1,0,0,0|1,0,1]=4 274 B12R0.233 CC=CCNC(C)CCCC(C)C 2230a_100000210607_100000070051 [1,0,1,0,0,0|2,0,0]=4 275 B12R0.233 CC=CCOC(C)CCCC(C)C 34a_200011218570_100000070051 [1,0,1,0,0,0|2,0,0]=4 276 B12R0.233 CC=CCOC(C)CCCC(C)C 7a_200011218570_100000070051 [1,0,1,0,0,0|2,0,0]=4 277 B12R0.233 CCCCCC(=O)CCOC(=O)C 1458a_100000212188_100009814007 [1,0,1,0,0,0|1,0,1]=4 278 B12R0.233 CCCCCC(C)OCCC(=O)C 34a_100000759926_200011218191 [1,0,1,0,0,0|2,0,0]=4 279 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100000759926_200011218191 [1,0,1,0,0,0|2,0,0]=4 280 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100011215632_100000053229 [1,0,1,0,0,0|2,0,0]=4 281 B12R0.233 CCCCCC(C)OCOC(=O)C 34a_100011215632_100009813279 [1,0,1,0,0,0|1,0,0]=3 282 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_100000053229_200011218191 [1,0,1,0,0,0|2,0,0]=4 283 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_200011218191_100000053229 [1,0,1,0,0,0|2,0,0]=4 284 B12R0.233 CCCCCC(C)SCOC(=O)C 62a_100000076356_200011218191 [1,0,1,0,0,0|1,0,0]=3 285 B12R0.233 CCCCCC(C)SCOC(=O)C 62a_200011218191_100000076356 [1,0,1,0,0,0|1,0,0]=3 286 B12R0.233 CCCCCN(C)CCCC(=O)C 269982a_100000223495_100011215641 [1,0,1,0,0,0|2,0,0]=4 287 B12R0.233 CCCCCN(C)CCNC(=O)C 2230a_100000223495_100000189650 [1,0,1,0,0,0|2,0,0]=4 288 B12R0.233 CCCCCN(C)CCNC(=O)C 269982a_100000223495_100000189650 [1,0,1,0,0,0|2,0,0]=4 289 B12R0.233 CCCCCN(C)CCOC(=O)C 269982a_100000223495_100009814007 [1,0,1,0,0,0|1,0,0]=3 290 B12R0.233 CCCCCN(C)CCOC(=O)N 269982a_100000223495_200011214921 [1,0,1,0,0,0|2,0,0]=4 291 B12R0.233 CCNCCC(C)CCCC(C)C 2230a_100015525214_100009816328 [1,0,1,0,0,0|1,0,1]=4 292 B12R0.233 CCNCCC(C)CCCC(C)C 2230a_102516457229_100000210202 [1,0,1,0,0,0|1,0,1]=4 293 B12R0.233 CCOCCC(C)CCCC(C)C 34a_100000015991_100000210202 [1,0,1,0,0,0|0,0,1]=3 294 B12R0.233 CCOCCC(C)CCCC(C)C 34a_100121572206_100009816328 [1,0,1,0,0,0|0,0,1]=3 295 B12R0.233 CCOCCC(C)CCCC(C)C 7a_100000015991_100000210202 [1,0,1,0,0,0|0,0,1]=3 296 B12R0.233 CCOCCC(C)NCCC(C)C 270004a_100000210545_200011216536 [1,0,1,0,0,0|1,0,1]=4 297 B12R0.233 CCSCCC(C)CCCC(C)C 62a_100000210202_100009816328 [1,0,1,0,0,0|0,1,1]=4 298 B12R0.233 CCSCCC(C)CCCC(C)C 62a_100009816328_100000210202 [1,0,1,0,0,0|0,1,1]=4 299 B12R0.233 COCCCC(C)OCOC(=O)C 34a_200011539412_100009813279 [1,0,1,0,0,0|2,0,0]=4 300 B12R0.233 COCCCN(C)CCOC(=O)C 269982a_100000224831_100009814007 [1,0,1,0,0,0|2,0,0]=4 301 B12R0.268 CC(=O)CCCCOCCC(C)C 34a_100000210254_100009817362 [1,0,1,0,0,0|2,0,0]=4 302 B12R0.268 CC(=O)CCCCOCCC(C)C 7a_100000210254_100000735457 [1,0,1,0,0,0|2,0,0]=4 303 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000210312_100000735457 [1,0,1,0,0,0|2,0,0]=4 304 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000735457_100000210312 [1,0,1,0,0,0|2,0,0]=4 305 B12R0.268 CC(=O)CCCNCCCC(C)C 34a_200000737386_100000685027 [1,0,1,0,0,0|2,0,0]=4 306 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000210774_100000685027 [1,0,1,0,0,0|2,0,0]=4 307 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000759063_100011214892 [1,0,1,0,0,0|2,0,0]=4 308 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000210774_100011215641 [1,0,1,0,0,0|2,0,0]=4 309 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000759063_100011214892 [1,0,1,0,0,0|2,0,0]=4 310 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011214892_100011215641 [1,0,1,0,0,0|2,0,0]=4 311 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011215641_100011214892 [1,0,1,0,0,0|2,0,0]=4 312 B12R0.268 CC(=O)CCOCCCCC(C)C 34a_100000759926_100011216152 [1,0,1,0,0,0|2,0,0]=4 313 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100000759926_100011216152 [1,0,1,0,0,0|2,0,0]=4 314 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100011214890_100000053229 [1,0,1,0,0,0|2,0,0]=4 315 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100000053229_100011216152 [1,0,1,0,0,0|2,0,0]=4 316 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100011216152_100000053229 [1,0,1,0,0,0|2,0,0]=4 317 B12R0.268 CC(=O)COCCCCCC(C)C 34a_100000211253_100000210682 [1,0,1,0,0,0|2,0,0]=4 318 B12R0.268 CC(=O)NCCCCCCC(C)C 11a_100000211014_100015343762 [1,0,1,0,0,0|1,0,0]=3 319 B12R0.268 CC(=O)NCCCCCCC(C)C 1626a_100000211014_100015343762 [1,0,1,0,0,0|1,0,0]=3 320 B12R0.268 CC(=O)NCCCCCCC(C)C 240690a_100000211014_100015343762 [1,0,1,0,0,0|1,0,0]=3 321 B12R0.268 CC(=O)NCCCCCCC(C)C 527a_100000211014_100103153847 [1,0,1,0,0,0|1,0,0]=3 322 B12R0.268 CC(=O)NCCCCCCN(C)C 240690a_200011233508_100015343762 [1,0,1,0,0,0|2,0,0]=4 323 B12R0.268 CC(=O)NCCCCCNC(C)C 2230a_200012022750_100000210206 [1,0,1,0,0,0|2,0,0]=4 324 B12R0.268 CC(=O)NCCCCCNC(C)C 34a_200012022750_100000210206 [1,0,1,0,0,0|2,0,0]=4 325 B12R0.268 CC(=O)NCCCCNCC(C)C 2230a_200011368371_100000210760 [1,0,1,0,0,0|2,0,0]=4 326 B12R0.268 CC(=O)NCCCCNCC(C)C 270004a_200011368371_100000210432 [1,0,1,0,0,0|2,0,0]=4 327 B12R0.268 CC(=O)NCCCCNCC(C)C 34a_200011368371_100000210624 [1,0,1,0,0,0|2,0,0]=4 328 B12R0.268 CC(=O)NCCCNCCC(C)C 269862a_100000736810_100000185833 [1,0,1,0,0,0|2,0,0]=4 329 B12R0.268 CC(=O)NCCCNCCC(C)C 34a_100000736810_100000210312 [1,0,1,0,0,0|2,0,0]=4 330 B12R0.268 CC(=O)NCCCOCCC(C)C 34a_100000752032_100000210312 [1,0,1,0,0,0|2,0,0]=4 331 B12R0.268 CC(=O)NCCNCCCC(C)C 2230a_100000209853_100011214892 [1,0,1,0,0,0|2,0,0]=4 332 B12R0.268 CC(=O)NCCNCCCC(C)C 2230a_200000737386_100000189650 [1,0,1,0,0,0|2,0,0]=4 333 B12R0.268 CC(=O)NCCOCCCC(C)C 34a_100000158858_100011214892 [1,0,1,0,0,0|2,0,0]=4 334 B12R0.268 CC(=O)NCCOCCCC(C)C 7a_100000210774_100000189650 [1,0,1,0,0,0|2,0,0]=4 335 B12R0.268 CC(=O)NCCSCCCC(C)C 62a_100000189650_100011214892 [1,0,1,0,0,0|2,0,0]=4 336 B12R0.268 CC(=O)NCCSCCCC(C)C 62a_100011214892_100000189650 [1,0,1,0,0,0|2,0,0]=4 337 B12R0.268 CC(=O)OCCCCCNC(C)C 2230a_100138425928_100009813381 [1,0,1,0,0,0|1,0,0]=3 338 B12R0.268 CC(=O)OCCCCCNC(C)C 34a_100138425928_100000033007 [1,0,1,0,0,0|1,0,0]=3 339 B12R0.268 CC(=O)OCCCCCOC(C)C 34a_100000212225_100000033007 [1,0,1,0,0,0|1,0,0]=3 340 B12R0.268 CC(=O)OCCCCCSC(C)C 62a_100000033007_100000210206 [1,0,1,0,0,0|1,0,0]=3 341 B12R0.268 CC(=O)OCCCCCSC(C)C 62a_100000210206_100000033007 [1,0,1,0,0,0|1,0,0]=3 342 B12R0.268 CC(=O)OCCCCNCC(C)C 34a_100000210953_100000033659 [1,0,1,0,0,0|1,0,0]=3 343 B12R0.268 CC(=O)OCCCCNCC(C)O 34a_100000210904_100000033659 [1,0,1,0,0,0|2,0,0]=4 344 B12R0.268 CC(=O)OCCCCOCC(C)Br 34a_100012180447_100000033659 [1,0,1,0,0,0|2,0,0]=4 345 B12R0.268 CC(=O)OCCCCOCC(C)C 34a_100000073216_100000210624 [1,0,1,0,0,0|1,0,0]=3 346 B12R0.268 CC(=O)OCCCCOCC(C)C 34a_100000210257_100000033659 [1,0,1,0,0,0|1,0,0]=3 347 B12R0.268 CC(=O)OCCCCOCC(C)C 7a_100000073216_100000210760 [1,0,1,0,0,0|1,0,0]=3 348 B12R0.268 CC(=O)OCCCCOCC(C)F 34a_100015925927_100000033659 [1,0,1,0,0,0|2,0,0]=4 349 B12R0.268 CC(=O)OCCCCOCC(C)O 34a_100000073216_100011218427 [1,0,1,0,0,0|2,0,0]=4 350 B12R0.268 CC(=O)OCCCCOCC(C)O 7a_100000073216_100011218427 [1,0,1,0,0,0|2,0,0]=4 351 B12R0.268 CC(=O)OCCCCOC[C@@H](C)Cl 34a_100016084084_100000033659 [1,0,1,0,0,0|2,0,0]=4 352 B12R0.268 CC(=O)OCCCCOC[C@@H](C)N 34a_100000737577_100000033659 [1,0,1,0,0,0|2,0,0]=4 353 B12R0.268 CC(=O)OCCCCOC[C@@H](C)O 34a_100000073216_100009817552 [1,0,1,0,0,0|2,0,0]=4 354 B12R0.268 CC(=O)OCCCCOC[C@@H](C)O 7a_100000073216_100009817552 [1,0,1,0,0,0|2,0,0]=4 355 B12R0.268 CC(=O)OCCCCSCC(C)C 62a_100000033659_100000210760 [1,0,1,0,0,0|1,0,0]=3 356 B12R0.268 CC(=O)OCCCCSCC(C)C 62a_100000210624_100000033659 [1,0,1,0,0,0|1,0,0]=3 357 B12R0.268 CC(=O)OCCCCSCC(C)O 62a_100000033659_100011218427 [1,0,1,0,0,0|2,0,0]=4 358 B12R0.268 CC(=O)OCCCCSCC(C)O 62a_100011218427_100000033659 [1,0,1,0,0,0|2,0,0]=4 359 B12R0.268 CC(=O)OCCCCSC[C@@H](C)O 62a_100000033659_100009817552 [1,0,1,0,0,0|2,0,0]=4 360 B12R0.268 CC(=O)OCCCCSC[C@@H](C)O 62a_100009817552_100000033659 [1,0,1,0,0,0|2,0,0]=4 361 B12R0.268 CC(=O)OCCCOCCC(C)Br 34a_100009893172_100000042594 [1,0,1,0,0,0|2,0,0]=4 362 B12R0.268 CC(=O)OCCCOCCC(C)C 34a_100000210254_100000042594 [1,0,1,0,0,0|1,0,0]=3 363 B12R0.268 CC(=O)OCCCOCCC(C)C 7a_100000210254_100000042594 [1,0,1,0,0,0|1,0,0]=3 364 B12R0.268 CC(=O)OCCCOCC[C@@H](C)N 34a_100000706166_100000042594 [1,0,1,0,0,0|2,0,0]=4 365 B12R0.268 CC(=O)OCCCSCCC(C)C 62a_100000042594_100000210312 [1,0,1,0,0,0|1,0,0]=3 366 B12R0.268 CC(=O)OCCCSCCC(C)C 62a_100000210312_100000042594 [1,0,1,0,0,0|1,0,0]=3 367 B12R0.268 CC(=O)OCCCSCCC(C)O 62a_100000042594_100012276601 [1,0,1,0,0,0|2,0,0]=4 368 B12R0.268 CC(=O)OCCCSCCC(C)O 62a_100012276601_100000042594 [1,0,1,0,0,0|2,0,0]=4 369 B12R0.268 CC(=O)OCCCSCCN(C)C 62a_100000042594_100000755713 [1,0,1,0,0,0|2,0,0]=4 370 B12R0.268 CC(=O)OCCCSCOC(C)C 62a_100000042594_100000709892 [1,0,1,0,0,0|2,0,0]=4 371 B12R0.268 CC(=O)OCCCSCOC(C)C 62a_100000709892_100000042594 [1,0,1,0,0,0|2,0,0]=4 372 B12R0.268 CC(=O)OCCNCCCC(C)C 34a_200000737386_100009814007 [1,0,1,0,0,0|1,0,0]=3 373 B12R0.268 CC(=O)OCCNCCOC(C)C 34a_100000701111_100009814007 [1,0,1,0,0,0|2,0,0]=4 374 B12R0.268 CC(=O)OCCNCCSC(C)C 34a_100000731138_100009814007 [1,0,1,0,0,0|2,0,0]=4 375 B12R0.268 CC(=O)OCCOCCCC(C)C 34a_100000210774_100009814007 [1,0,1,0,0,0|1,0,0]=3 376 B12R0.268 CC(=O)OCCOCCCC(C)C 7a_100000210774_100009814007 [1,0,1,0,0,0|1,0,0]=3 377 B12R0.268 CC(=O)OCCOCCNC(C)C 2230a_100138425928_200000083610 [1,0,1,0,0,0|2,0,0]=4 378 B12R0.268 CC(=O)OCCOCCNC(C)C 34a_100000224655_100009814007 [1,0,1,0,0,0|2,0,0]=4 379 B12R0.268 CC(=O)OCCOCCNC(C)C 34a_100138425928_200000083610 [1,0,1,0,0,0|2,0,0]=4 380 B12R0.268 CC(=O)OCCOCCOC(C)C 34a_100000211219_100009814007 [1,0,1,0,0,0|2,0,0]=4 381 B12R0.268 CC(=O)OCCOCCOC(C)C 34a_100000212225_200000083610 [1,0,1,0,0,0|2,0,0]=4 382 B12R0.268 CC(=O)OCCOCCOC(C)C 7a_100000211219_100009814007 [1,0,1,0,0,0|2,0,0]=4 383 B12R0.268 CC(=O)OCCOCCSC(C)C 34a_200011212901_100009814007 [1,0,1,0,0,0|2,0,0]=4 384 B12R0.268 CC(=O)OCCOCCSC(C)C 62a_100000210206_200000083610 [1,0,1,0,0,0|2,0,0]=4 385 B12R0.268 CC(=O)OCCOCCSC(C)C 62a_200000083610_100000210206 [1,0,1,0,0,0|2,0,0]=4 386 B12R0.268 CC(=O)OCCOCCSC(C)C 7a_200011212901_100009814007 [1,0,1,0,0,0|2,0,0]=4 387 B12R0.268 CC(=O)OCCOCNCC(C)C 34a_100000210953_100000076355 [1,0,1,0,0,0|2,0,0]=4 388 B12R0.268 CC(=O)OCCOCOCC(C)C 34a_100000210257_100000076355 [1,0,1,0,0,0|2,0,0]=4 389 B12R0.268 CC(=O)OCCOCSCC(C)C 62a_100000076355_100000210760 [1,0,1,0,0,0|2,0,0]=4 390 B12R0.268 CC(=O)OCCOCSCC(C)C 62a_100000210624_100000076355 [1,0,1,0,0,0|2,0,0]=4 391 B12R0.268 CC(=O)OCCSCCCC(C)C 62a_100009814007_100011214892 [1,0,1,0,0,0|1,0,0]=3 392 B12R0.268 CC(=O)OCCSCCCC(C)C 62a_100011214892_100009814007 [1,0,1,0,0,0|1,0,0]=3 393 B12R0.268 CC(=O)OCCSCCCC(C)O 62a_100009814007_200000718107 [1,0,1,0,0,0|2,0,0]=4 394 B12R0.268 CC(=O)OCCSCCCC(C)O 62a_200000718107_100009814007 [1,0,1,0,0,0|2,0,0]=4 395 B12R0.268 CC(=O)OCCSCCCN(C)C 62a_100009814007_100000757444 [1,0,1,0,0,0|2,0,0]=4 396 B12R0.268 CC(=O)OCCSCCOC(C)C 62a_100000211751_100009814007 [1,0,1,0,0,0|2,0,0]=4 397 B12R0.268 CC(=O)OCCSCCOC(C)C 62a_100009814007_100000211751 [1,0,1,0,0,0|2,0,0]=4 398 B12R0.268 CC(=O)OCCSCCSC(C)C 62a_100000730970_100009814007 [1,0,1,0,0,0|2,0,0]=4 399 B12R0.268 CC(=O)OCCSCCSC(C)C 62a_100009814007_100000730970 [1,0,1,0,0,0|2,0,0]=4 400 B12R0.268 CC(=O)OCNCCCOC(C)C 34a_100000737246_100009813279 [1,0,1,0,0,0|2,0,0]=4 401 B12R0.268 CC(=O)OCOCCCCC(C)C 34a_100011214890_100009813279 [1,0,1,0,0,0|1,0,0]=3 402 B12R0.268 CC(=O)OCOCCCNC(C)C 34a_100000182298_100009813279 [1,0,1,0,0,0|2,0,0]=4 403 B12R0.268 CC(=O)OCOCCNCC(C)C 34a_100015185251_100009813279 [1,0,1,0,0,0|2,0,0]=4 404 B12R0.268 CC(=O)OCOCCOCC(C)C 34a_100000703358_100009813279 [1,0,1,0,0,0|2,0,0]=4 405 B12R0.268 CC(=O)OCOCCSCC(C)C 34a_200000230437_100009813279 [1,0,1,0,0,0|2,0,0]=4 406 B12R0.268 CC(=O)OCSCCCCC(C)C 62a_100000076356_100011216152 [1,0,1,0,0,0|1,0,0]=3 407 B12R0.268 CC(=O)OCSCCCCC(C)C 62a_100011216152_100000076356 [1,0,1,0,0,0|1,0,0]=3 408 B12R0.268 CC(=O)OCSCCCCN(C)C 62a_100000076356_100000690147 [1,0,1,0,0,0|2,0,0]=4 409 B12R0.268 CC(=O)SCCCCNCC(C)C 2230a_100000210953_200010402107 [1,0,1,0,0,0|1,1,0]=4 410 B12R0.268 CC(=O)SCCCCNCC(C)C 34a_100000210953_200010402107 [1,0,1,0,0,0|1,1,0]=4 411 B12R0.268 CC(=O)SCCCCOCC(C)C 34a_100000210257_200010402107 [1,0,1,0,0,0|1,1,0]=4 412 B12R0.268 CC(=O)SCCCCSCC(C)C 62a_100000210624_200010402107 [1,0,1,0,0,0|1,1,0]=4 413 B12R0.268 CC(=O)SCCCCSCC(C)C 62a_200010402107_100000210760 [1,0,1,0,0,0|1,1,0]=4 414 B12R0.268 CC(=O)SCCCOCCC(C)C 34a_100000210254_100000038929 [1,0,1,0,0,0|1,1,0]=4 415 B12R0.268 CC(=O)SCCCOCCC(C)C 7a_100000210254_100000038929 [1,0,1,0,0,0|1,1,0]=4 416 B12R0.268 CC(=O)SCCCSCCC(C)C 62a_100000038929_100000210312 [1,0,1,0,0,0|1,1,0]=4 417 B12R0.268 CC(=O)SCCCSCCC(C)C 62a_100000210312_100000038929 [1,0,1,0,0,0|1,1,0]=4 418 B12R0.268 CC(=S)OCCCOCCC(C)C 34a_100000210254_200135323944 [1,0,1,0,0,0|1,1,0]=4 419 B12R0.268 CC(=S)OCCCOCCC(C)C 7a_100000210254_200135323944 [1,0,1,0,0,0|1,1,0]=4 420 B12R0.268 CC(=S)OCCCSCCC(C)C 62a_100000210312_200135323944 [1,0,1,0,0,0|1,1,0]=4 421 B12R0.268 CC(=S)OCCCSCCC(C)C 62a_200135323944_100000210312 [1,0,1,0,0,0|1,1,0]=4 422 B12R0.268 CC(C)CCCNCCOC(=O)N 34a_200000737386_200011214921 [1,0,1,0,0,0|2,0,0]=4 423 B12R0.268 CC(C)CCCOCCOC(=O)N 34a_100000210774_200011214921 [1,0,1,0,0,0|2,0,0]=4 424 B12R0.268 CC(C)CCCOCCOC(=O)N 7a_100000210774_200011214921 [1,0,1,0,0,0|2,0,0]=4 425 B12R0.268 CC(C)CCCOCCOC(=O)N 7a_100000766696_100011214892 [1,0,1,0,0,0|2,0,0]=4 426 B12R0.268 CC(C)CCCSCCOC(=O)N 62a_100011214892_200011214921 [1,0,1,0,0,0|2,0,0]=4 427 B12R0.268 CC(C)CCCSCCOC(=O)N 62a_200011214921_100011214892 [1,0,1,0,0,0|2,0,0]=4 428 B12R1.57 C=C(C)[C@@H]1CC[C@H](C[C@H]1OC)C 34a_100016197468_200000210301 [2,0,0,0,0,0|0,0,2]=4 429 B12R1.57 C=C(C)[C@@H]1CC[C@H](C[C@H]1OC)C 7a_100016197468_200000210301 [2,0,0,0,0,0|0,0,2]=4 430 B12R1.57 C=C(C)[C@@H]1CC[C@H](C[C@H]1O[13CH3])C 34a_100016197468_200025704644 [2,0,0,0,0,0|0,0,2]=4 431 B12R1.57 C=C(C)[C@@H]1CC[C@H](C[C@H]1O[13CH3])C 7a_100016197468_200025704644 [2,0,0,0,0,0|0,0,2]=4 432 B12R1.57 CC(C)[C@@H]1CC[C@H](C[C@H]1N[13CH3])C 2230a_100025773825_200025704644 [2,0,0,0,0,0|1,0,0]=3 433 B12R1.57 CC(C)[C@@H]1CC[C@H](C[C@H]1N[13CH3])C 34a_100025773825_200025704644 [2,0,0,0,0,0|1,0,0]=3 434 B12R1.57 CC(C)[C@H]1CC[C@@H](C[C@@H]1O[13CH3])C 34a_100000763588_200025704644 [2,0,0,0,0,0|0,0,0]=2 435 B12R1.57 CC(C)[C@H]1CC[C@@H](C[C@@H]1O[13CH3])C 7a_100000763588_200025704644 [2,0,0,0,0,0|0,0,0]=2 436 B12R1.57 CC(C)[C@H]1CC[C@@H](C[C@@H]1S[13CH3])C 62a_200009893639_200025704644 [2,0,0,0,0,0|0,1,0]=3 437 B12R1.57 CC(C)[C@H]1CC[C@@H](C[C@@H]1S[13CH3])C 62a_200025704644_200009893639 [2,0,0,0,0,0|0,1,0]=3 438 B12R1.57 CNC1C[C@@H](CC[C@H]1C(C)C)C 269862a_106832991636_100009815803 [2,0,0,0,0,0|1,0,0]=3 439 B12R1.57 CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_200000210301 [2,0,0,0,0,0|1,0,0]=3 440 B12R1.57 CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_200000210301 [2,0,0,0,0,0|1,0,0]=3 441 B12R1.57 CN[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100102657272_200009893639 [2,0,0,0,0,0|1,0,0]=3 442 B12R1.57 CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_200000210301 [2,0,0,0,0,0|0,0,0]=2 443 B12R1.57 CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100138415774_200009893639 [2,0,0,0,0,0|0,0,0]=2 444 B12R1.57 CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_200000210301 [2,0,0,0,0,0|0,0,0]=2 445 B12R1.57 CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200000210301_200009893639 [2,0,0,0,0,0|0,1,0]=3 446 B12R1.57 CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_200000210301 [2,0,0,0,0,0|0,1,0]=3 447 B12R1.283 CC(C)C1CCCCC1OCF 34a_100011709184_100015361967 [2,0,0,0,0,0|1,0,1]=4 448 B12R1.283 CC(C)C1CCCCC1OCF 7a_100011709184_100015361967 [2,0,0,0,0,0|1,0,1]=4 449 B12R1.283 CC(C)C1CCCCN1CC=O 2230a_100000757267_200015260668 [2,0,0,0,0,0|2,0,0]=4 450 B12R1.283 CC(C)C1CCCCN1CC=O 269982a_100000757267_200015260668 [2,0,0,0,0,0|2,0,0]=4 451 B12R1.283 CC(C)C1CCCCN1CC=O 34a_100000757267_200009817547 [2,0,0,0,0,0|2,0,0]=4 452 B12R1.283 CCOC1CCCCC1C(C)C 34a_100011709184_100000210202 [2,0,0,0,0,0|0,0,1]=3 453 B12R1.283 CCOC1CCCCC1C(C)C 7a_100011709184_100000210202 [2,0,0,0,0,0|0,0,1]=3 454 B12R1.283 CCOC1CCCCC1N(C)C 270004a_100102631434_200000031474 [2,0,0,0,0,0|1,0,1]=4 455 B12R1.75 CCC1CCCCC1OC(C)C 34a_100000210738_100000210206 [2,0,0,0,0,0|1,0,1]=4 456 B12R1.75 CCC1CCCCC1OC(C)C 7a_100000210738_100000210206 [2,0,0,0,0,0|1,0,1]=4 457 B12R1.75 COC1CCCCC1NC(=O)C 11a_100011208099_100015343762 [2,0,0,0,0,0|2,0,0]=4 458 B12R1.75 COC1CCCCC1NC(=O)C 1626a_100011208099_100015343762 [2,0,0,0,0,0|2,0,0]=4 459 B12R1.75 COC1CCCCC1NC(=O)C 240690a_100011208099_100015343762 [2,0,0,0,0,0|2,0,0]=4 460 B12R1.75 COC1CCCCC1NC(=O)C 527a_100011208099_100103153847 [2,0,0,0,0,0|2,0,0]=4 461 B12R1.127 CC1CCC(C(C1)OC(C)C)C 34a_100011217446_100000210206 [2,0,0,0,0,0|1,0,1]=4 462 B12R1.127 CC1CCC(C(C1)OC(C)C)C 7a_100011217446_100000210206 [2,0,0,0,0,0|1,0,1]=4 463 B14R0.255 COC(=O)CCN(CCC(C)C)C(C)C 2230a_100000228967_100000210312 [0,1,1,0,0,0|2,0,0]=4 464 B14R0.255 COC(=O)CCN(CCC(C)C)C(C)C 269982a_100000228967_100000210312 [0,1,1,0,0,0|2,0,0]=4 465 B14R0.617 CCCCC(C(C)C)N(C)CC(=O)NC 270004a_100000189611_200011215219 [0,1,1,0,0,0|2,0,0]=4 466 B14R0.617 CCCCC(C(C)C)N(C)CC(=O)OC 270004a_100000198492_200011215219 [0,1,1,0,0,0|2,0,0]=4 467 B14R0.617 CCCCN(C(C)C)C(C)CC(=O)OC 2230a_100000207398_100009817358 [0,1,1,0,0,0|2,0,0]=4 468 B14R0.617 CCCCN(C(C)C)C(C)CC(=O)OC 269982a_100000207398_100009817358 [0,1,1,0,0,0|2,0,0]=4 469 B14R0.1362 CC(=O)OC(C)N(CCCCO)C(C)C 269982a_100011521146_100009818208 [0,1,1,0,0,0|1,0,0]=3 470 B14R0.1362 CCCCCN(C(C)C)C(C)OC(=O)C 269982a_100000223497_100009818208 [0,1,1,0,0,0|1,0,0]=3 471 B14R0.1479 CC(=O)OC(C)N(CC(O)CO)C(C)C 269982a_100000702902_100009818208 [0,1,1,0,0,0|2,0,0]=4 472 B14R0.2486 CCC(C)N(CCOC)C(C)OC(=O)C 269982a_200000740884_100009818208 [0,1,1,0,0,0|2,0,0]=4 473 B14R0.2486 CCCCN(C(C)CC)C(C)OC(=O)C 269982a_100000207357_100009818208 [0,1,1,0,0,0|1,0,0]=3 474 B14R0.3465 COCCN(C(C)OC(=O)C)C(C)(C)C 269982a_100011198866_100009818208 [0,1,1,0,0,0|2,0,0]=4 475 B14R0.222 C=C(C)C(=O)CCC(C)CCCC(C)C 1458a_100000185857_100009816328 [0,1,1,0,0,0|2,0,0]=4 476 B14R0.222 CC(=O)C(=O)COC(C)CCCC(C)C 34a_200011218570_100011261029 [0,1,1,0,0,0|2,0,0]=4 477 B14R0.304 C#CC(C)OCCC(C)CCCC(C)C 34a_100000015991_200000035995 [0,1,1,0,0,0|1,0,1]=4 478 B14R0.304 C#C[C@@H](C)OCCC(C)CCCC(C)C 34a_100009815206_100009816328 [0,1,1,0,0,0|1,0,1]=4 479 B14R0.304 C#C[C@@H](C)OCCC(C)CCCC(C)C 7a_100009815206_100009816328 [0,1,1,0,0,0|1,0,1]=4 480 B14R0.304 C=CC(=O)NCCC(C)CCCC(C)C 1626a_102516457229_100000185746 [0,1,1,0,0,0|1,0,1]=4 481 B14R0.304 C=CC(=O)NCCC(C)CCCC(C)C 240690a_102516457229_200121576911 [0,1,1,0,0,0|1,0,1]=4 482 B14R0.304 C=CC(C)OCCC(C)CCCC(C)C 34a_100000695699_100009816328 [0,1,1,0,0,0|1,0,1]=4 483 B14R0.304 CC(C)CCCC(C)CCNC(=O)CO 240690a_102516457229_100000210174 [0,1,1,0,0,0|1,0,0]=3 484 B14R0.304 CC(C)CCCC(C)CCNC(=O)CO 527a_102516457229_100000210174 [0,1,1,0,0,0|1,0,0]=3 485 B14R0.304 CC(C)CCCC(C)CCOC(C)C#N 34a_100011218135_100009816328 [0,1,1,0,0,0|1,0,1]=4 486 B14R0.304 CC(C)CCCC(C)CCOC(C)C#N 7a_100000015991_100000703298 [0,1,1,0,0,0|1,0,1]=4 487 B14R0.304 CC(C)CCCC(C)CCOC(C)CF 34a_100016041109_100009816328 [0,1,1,0,0,0|1,0,1]=4 488 B14R0.304 CC(C)CCCC(C)CCOC(C)CF 7a_100016041109_100009816328 [0,1,1,0,0,0|1,0,1]=4 489 B14R0.304 CC(C)CCCC(C)CCOC(C)CN 34a_100000210904_100009816328 [0,1,1,0,0,0|1,0,1]=4 490 B14R0.304 CC(C)CCCC(C)CCOC(C)CO 34a_100000015991_100012180447 [0,1,1,0,0,0|0,0,2]=4 491 B14R0.304 CC(C)CCCC(C)CCOC(C)CO 7a_100000015991_100012180447 [0,1,1,0,0,0|0,0,2]=4 492 B14R0.304 CCC(=O)NCCC(C)CCCC(C)C 1626a_102516457229_100000210414 [0,1,1,0,0,0|1,0,0]=3 493 B14R0.304 CCC(=O)NCCC(C)CCCC(C)C 240690a_102516457229_100000210414 [0,1,1,0,0,0|1,0,0]=3 494 B14R0.304 CCC(=O)NCCC(C)CCCC(C)C 527a_102516457229_100000210414 [0,1,1,0,0,0|1,0,0]=3 495 B14R0.304 CCC(C)OCCC(C)CCCC(C)C 34a_100000015991_100011215416 [0,1,1,0,0,0|1,0,1]=4 496 B14R0.304 CCC(C)OCCC(C)CCCC(C)C 7a_100000015991_100000758301 [0,1,1,0,0,0|1,0,1]=4 497 B14R0.304 CCC(C)OCCC(C)CCCC(C)C 7a_100000210228_100009816328 [0,1,1,0,0,0|1,0,1]=4 498 B14R0.304 CNC(=O)CCNC(C)CCCC(C)C 2230a_100000210607_100000737683 [0,1,1,0,0,0|2,0,0]=4 499 B14R0.304 CNC(=O)CCNC(C)CCCC(C)C 270004a_100000738227_100000753411 [0,1,1,0,0,0|2,0,0]=4 500 B14R0.304 CNC(=O)CCOC(C)CCCC(C)C 34a_200011218570_100012179268 [0,1,1,0,0,0|2,0,0]=4 501 B14R0.304 CNC(=O)CCOC(C)CCCC(C)C 7a_200011218570_100000737683 [0,1,1,0,0,0|2,0,0]=4 502 B14R0.304 CNC(=O)NCCC(C)CCCC(C)C 2708a_100102657272_102516457229 [0,1,1,0,0,0|1,0,0]=3 503 B14R0.304 CNC(=O)NCCC(C)CCCC(C)C 2708a_102516457229_106832991635 [0,1,1,0,0,0|1,0,0]=3 504 B14R0.304 CNC(=O)NCCC(C)CCCC(C)C 273464a_100102657272_102516457229 [0,1,1,0,0,0|1,0,0]=3 505 B14R0.304 CNC(=O)NCCC(C)CCCC(C)C 273464a_102516457229_100102657272 [0,1,1,0,0,0|1,0,0]=3 506 B14R0.304 CNC(=O)NCCC(C)CCCC(C)C 512a_102516457229_100102657272 [0,1,1,0,0,0|1,0,0]=3 507 B14R0.304 CNC(=O)NCCC(C)CCCC(C)C 512a_106832991638_102516457229 [0,1,1,0,0,0|1,0,0]=3 508 B14R0.304 CNC(=O)OCCC(=O)CCCC(C)C 1458a_100011216857_200011997002 [0,1,1,0,0,0|1,0,1]=4 509 B14R0.304 CNC(=O)OCCN(C)CCCN(C)C 269982a_100000225831_200011997002 [0,1,1,0,0,0|2,0,0]=4 510 B14R0.304 COC(=O)CCCN(C)CCCC(C)C 269982a_100000739225_100011214892 [0,1,1,0,0,0|2,0,0]=4 511 B14R0.304 COC(=O)CCNC(C)CCCC(C)C 2230a_100000210607_100000204255 [0,1,1,0,0,0|2,0,0]=4 512 B14R0.304 COC(=O)CCOC(C)CCCC(C)C 34a_200011218570_100000742370 [0,1,1,0,0,0|2,0,0]=4 513 B14R0.304 COC(=O)CCOC(C)CCCC(C)C 7a_200011218570_100000204255 [0,1,1,0,0,0|2,0,0]=4 514 B14R0.1421 CC(=O)OCC(C)N(C)CCCN(C)C 270004a_100000225831_100000000629 [0,1,1,0,0,0|2,0,0]=4 515 B14R0.2672 CC(=O)CCOC(C)(C)CCCC(C)C 7a_100011215742_100000053229 [0,1,1,0,0,0|2,0,0]=4 516 B14R0.2691 CC(=O)OCCN(C)CCOC(C)(C)C 269982a_100000690421_100009814007 [0,1,1,0,0,0|2,0,0]=4 517 B14R0.2691 CC(C)CCCC(C)CCNS(=O)(=O)C 40a_102516457229_100000738038 [0,1,1,0,0,0|2,0,0]=4 518 B14R0.2691 CC(C)CCCC(C)CCOC(C)(C)C 34a_100000015991_100000210625 [0,1,1,0,0,0|1,0,1]=4 519 B14R0.2691 CC(C)CCCC(C)CCOC(C)(C)C 34a_100015890283_100009816328 [0,1,1,0,0,0|1,0,1]=4 520 B14R0.2691 CC(C)CCCC(C)CCOC(C)(C)C 7a_100015890283_100009816328 [0,1,1,0,0,0|1,0,1]=4 521 B14R0.4266 CCN(CCCN(C)C)CCOC(=O)C 269982a_100000225837_100009814007 [0,1,1,0,0,0|2,0,0]=4 522 B14R1.707 C=CC(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100000185746_200009893639 [1,1,0,0,0,0|1,0,1]=4 523 B14R1.707 CCC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1458a_100009868045_100000210202 [1,1,0,0,0,0|1,0,1]=4 524 B14R1.707 CCC(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100000210414_200009893639 [1,1,0,0,0,0|1,0,1]=4 525 B14R1.707 CCN(C)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 269982a_100000225621_200009893639 [1,1,0,0,0,0|1,0,1]=4 526 B14R1.707 CNC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 11a_106832991635_100009868045 [1,1,0,0,0,0|2,0,0]=4 527 B14R1.707 CNC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1626a_100102657272_100009868045 [1,1,0,0,0,0|2,0,0]=4 528 B14R1.707 CNC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 240690a_100102657272_100009868045 [1,1,0,0,0,0|2,0,0]=4 529 B14R1.707 CNC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 527a_100102657272_100009868045 [1,1,0,0,0,0|2,0,0]=4 530 B14R1.760 C#CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000210247_200009893639 [1,1,0,0,0,0|0,0,2]=4 531 B14R1.760 C#CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100000184674 [1,1,0,0,0,0|0,0,2]=4 532 B14R1.760 C#CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000038162 [1,1,0,0,0,0|0,0,2]=4 533 B14R1.760 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCC=O)C 34a_100016197468_200009817547 [1,1,0,0,0,0|0,0,2]=4 534 B14R1.760 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCC=O)C 7a_100016197468_200015260668 [1,1,0,0,0,0|0,0,2]=4 535 B14R1.760 C=CCN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100000210623 [1,1,0,0,0,0|1,0,1]=4 536 B14R1.760 C=CCN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_100015514636 [1,1,0,0,0,0|1,0,1]=4 537 B14R1.760 C=CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100015514636 [1,1,0,0,0,0|0,0,1]=3 538 B14R1.760 C=CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_200000210373_200009893639 [1,1,0,0,0,0|0,0,1]=3 539 B14R1.760 C=CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100015514636 [1,1,0,0,0,0|0,0,1]=3 540 B14R1.760 C=CCS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100000210623_200009893639 [1,1,0,0,0,0|0,1,1]=4 541 B14R1.760 C=CCS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100000210623 [1,1,0,0,0,0|0,1,1]=4 542 B14R1.760 CC(C)[C@@H]1CC[C@H](CC1NCCF)C 269862a_100000724931_100009815803 [1,1,0,0,0,0|1,0,1]=4 543 B14R1.760 CC(C)[C@@H]1CC[C@H](CC1NCCO)C 269862a_100000210304_100009815803 [1,1,0,0,0,0|1,0,1]=4 544 B14R1.760 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC=O)C 2230a_100025773825_200015260668 [1,1,0,0,0,0|1,0,0]=3 545 B14R1.760 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC=O)C 34a_100025773825_200009817547 [1,1,0,0,0,0|1,0,0]=3 546 B14R1.760 CC(C)[C@@H]1CC[C@H](C[C@H]1NCCF)C 2230a_100025773825_100011217306 [1,1,0,0,0,0|1,0,1]=4 547 B14R1.760 CC(C)[C@@H]1CC[C@H](C[C@H]1NCCF)C 34a_100025773825_100011217306 [1,1,0,0,0,0|1,0,1]=4 548 B14R1.760 CC(C)[C@@H]1CC[C@H](C[C@H]1NCCO)C 2230a_100025773825_100000211926 [1,1,0,0,0,0|1,0,1]=4 549 B14R1.760 CC(C)[C@@H]1CC[C@H](C[C@H]1NCCO)C 34a_100025773825_100000211926 [1,1,0,0,0,0|1,0,1]=4 550 B14R1.760 CC(C)[C@H]1CC[C@@H](C[C@@H]1NCCF)C 34a_100000724931_200009893639 [1,1,0,0,0,0|1,0,1]=4 551 B14R1.760 CC(C)[C@H]1CC[C@@H](C[C@@H]1NCCO)C 34a_100016990907_200009893639 [1,1,0,0,0,0|1,0,1]=4 552 B14R1.760 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC#N)C 7a_100000763588_100011215382 [1,1,0,0,0,0|0,0,2]=4 553 B14R1.760 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC=O)C 34a_100000763588_200009817547 [1,1,0,0,0,0|0,0,0]=2 554 B14R1.760 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC=O)C 7a_100000763588_200015260668 [1,1,0,0,0,0|0,0,0]=2 555 B14R1.760 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCCBr)C 34a_100000211926_200009893639 [1,1,0,0,0,0|0,0,1]=3 556 B14R1.760 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCCF)C 34a_100000763588_100011217306 [1,1,0,0,0,0|0,0,1]=3 557 B14R1.760 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCCF)C 7a_100000763588_100011217306 [1,1,0,0,0,0|0,0,1]=3 558 B14R1.760 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCCN)C 34a_100000210304_200009893639 [1,1,0,0,0,0|0,0,1]=3 559 B14R1.760 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCCO)C 34a_100000763588_100000211926 [1,1,0,0,0,0|0,0,1]=3 560 B14R1.760 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCCO)C 7a_100000763588_100000211926 [1,1,0,0,0,0|0,0,1]=3 561 B14R1.760 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC=O)C 62a_200009893639_200015260668 [1,1,0,0,0,0|0,1,0]=3 562 B14R1.760 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC=O)C 62a_200015260668_200009893639 [1,1,0,0,0,0|0,1,0]=3 563 B14R1.760 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCCF)C 62a_100011217306_200009893639 [1,1,0,0,0,0|0,1,1]=4 564 B14R1.760 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCCF)C 62a_200009893639_100011217306 [1,1,0,0,0,0|0,1,1]=4 565 B14R1.760 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCCO)C 62a_100000211926_200009893639 [1,1,0,0,0,0|0,1,1]=4 566 B14R1.760 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCCO)C 62a_200009893639_100000211926 [1,1,0,0,0,0|0,1,1]=4 567 B14R1.760 CCCNC1C[C@@H](CC[C@H]1C(C)C)C 269862a_100020643023_100009815803 [1,1,0,0,0,0|1,0,1]=4 568 B14R1.760 CCCN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100000210303 [1,1,0,0,0,0|1,0,1]=4 569 B14R1.760 CCCN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_100000210303 [1,1,0,0,0,0|1,0,1]=4 570 B14R1.760 CCCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000210258_200009893639 [1,1,0,0,0,0|0,0,1]=3 571 B14R1.760 CCCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100000210303 [1,1,0,0,0,0|0,0,1]=3 572 B14R1.760 CCCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000210303 [1,1,0,0,0,0|0,0,1]=3 573 B14R1.760 CCCS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100000210303_200009893639 [1,1,0,0,0,0|0,1,1]=4 574 B14R1.760 CCCS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100000210303 [1,1,0,0,0,0|0,1,1]=4 575 B14R1.760 COCN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100000766300 [1,1,0,0,0,0|1,0,1]=4 576 B14R1.760 COCS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100000766300_200009893639 [1,1,0,0,0,0|0,1,1]=4 577 B14R1.760 COCS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100000766300 [1,1,0,0,0,0|0,1,1]=4 578 B14R1.760 CSCN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100011218213 [1,1,0,0,0,0|1,0,1]=4 579 B14R1.760 CSCN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_100011218213 [1,1,0,0,0,0|1,0,1]=4 580 B14R1.760 CSCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100011218213 [1,1,0,0,0,0|0,0,1]=3 581 B14R1.760 CSCS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100011218213_200009893639 [1,1,0,0,0,0|0,1,1]=4 582 B14R1.760 CSCS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100011218213 [1,1,0,0,0,0|0,1,1]=4 583 B14R1.429 CC(=O)C(C)N1CCCCC1C(C)C 2230a_100000757267_100009814033 [1,1,0,0,0,0|2,0,0]=4 584 B14R1.429 CC(=O)C(C)N1CCCCC1C(C)C 269982a_100000757267_100009814033 [1,1,0,0,0,0|2,0,0]=4 585 B14R1.429 CC(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C 240690a_100009930120_100015343762 [1,1,0,0,0,0|2,0,0]=4 586 B14R1.429 CC(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C 527a_100009930120_100103153847 [1,1,0,0,0,0|2,0,0]=4 587 B14R1.815 CC(C)OC1CCCCC1C(C)(C)C 34a_100011215335_100000210206 [1,1,0,0,0,0|1,0,1]=4 588 B14R1.815 CC(C)OC1CCCCC1C(C)(C)C 7a_100011215335_100000210206 [1,1,0,0,0,0|1,0,1]=4 589 B14R1.3302 C#CC(C)OC1CCCCC1C(C)C 34a_100011709184_200000035995 [1,1,0,0,0,0|1,0,1]=4 590 B14R1.3302 CC(C#N)OC1CCCCC1C(C)C 7a_100011709184_100000703298 [1,1,0,0,0,0|1,0,1]=4 591 B14R1.3302 CC(CO)OC1CCCCC1C(C)C 34a_100011709184_100012180447 [1,1,0,0,0,0|0,0,2]=4 592 B14R1.3302 CC(CO)OC1CCCCC1C(C)C 7a_100011709184_100012180447 [1,1,0,0,0,0|0,0,2]=4 593 B14R1.3302 CCC(=O)CN1CCCCC1C(C)C 269982a_100000757267_100000747405 [1,1,0,0,0,0|2,0,0]=4 594 B14R1.3302 CCC(=O)N[C@@H]1CCCC[C@H]1N(C)C 11a_100009817265_100000210414 [1,1,0,0,0,0|2,0,0]=4 595 B14R1.3302 CCC(=O)N[C@@H]1CCCC[C@H]1N(C)C 240690a_100009817265_100000210414 [1,1,0,0,0,0|2,0,0]=4 596 B14R1.3302 CCC(=O)N[C@@H]1CCCC[C@H]1N(C)C 527a_100009817265_100000210414 [1,1,0,0,0,0|2,0,0]=4 597 B14R1.3302 CCC(C)OC1CCCCC1C(C)C 34a_100011709184_100011215416 [1,1,0,0,0,0|1,0,1]=4 598 B14R1.3302 CCC(C)OC1CCCCC1C(C)C 7a_100011709184_100000758301 [1,1,0,0,0,0|1,0,1]=4 599 B14R1.3302 CN(C)[C@@H]1CCCC[C@H]1NC(=O)CO 240690a_100009817265_100000210174 [1,1,0,0,0,0|2,0,0]=4 600 B14R1.3302 CN(C)[C@@H]1CCCC[C@H]1NC(=O)CO 527a_100009817265_100000210174 [1,1,0,0,0,0|2,0,0]=4 601 B14R1.3302 CNC(=O)CN1CCCCC1C(C)C 2230a_100000757267_100000183359 [1,1,0,0,0,0|2,0,0]=4 602 B14R1.3302 CNC(=O)CN1CCCCC1C(C)C 269982a_100000757267_100000183359 [1,1,0,0,0,0|2,0,0]=4 603 B14R1.3302 CNC(=O)CN1CCCCC1C(C)C 34a_100000757267_100000183359 [1,1,0,0,0,0|2,0,0]=4 604 B14R1.3302 CNC(=O)N[C@@H]1CCCC[C@H]1N(C)C 2708a_100009817265_106832991635 [1,1,0,0,0,0|2,0,0]=4 605 B14R1.3302 CNC(=O)N[C@@H]1CCCC[C@H]1N(C)C 2708a_100102657272_100009817265 [1,1,0,0,0,0|2,0,0]=4 606 B14R1.3302 CNC(=O)N[C@@H]1CCCC[C@H]1N(C)C 273464a_100009817265_100102657272 [1,1,0,0,0,0|2,0,0]=4 607 B14R1.3302 CNC(=O)N[C@@H]1CCCC[C@H]1N(C)C 273464a_100102657272_100009817265 [1,1,0,0,0,0|2,0,0]=4 608 B14R1.3302 CNC(=O)N[C@@H]1CCCC[C@H]1N(C)C 512a_106832991638_100009817265 [1,1,0,0,0,0|2,0,0]=4 609 B14R1.3302 COC(=O)CN1CCCCC1C(C)C 2230a_100000757267_100000747449 [1,1,0,0,0,0|2,0,0]=4 610 B14R1.3302 COC(=O)CN1CCCCC1C(C)C 269982a_100000757267_100000747449 [1,1,0,0,0,0|2,0,0]=4 611 B14R1.3302 COC(=O)CN1CCCCC1C(C)C 34a_100000757267_100000747449 [1,1,0,0,0,0|2,0,0]=4 612 B14R1.6312 CC(C)C1CCCCC1OC(C)(C)C 34a_100011709184_100000210625 [1,1,0,0,0,0|1,0,1]=4 613 B14R1.1126 CCC(C)N1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000758301 [0,1,0,0,1,0|2,0,0]=4 614 B14R1.1126 COC(C)N1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100009879195 [0,1,0,0,1,0|2,0,0]=4 615 B14R1.1126 C[C@@H]1CCN([C@H](C1)C(=O)O)[C@H](C)CO 269956a_100009817619_100016084084 [0,1,0,0,1,0|2,0,0]=4 616 B14R1.6051 C[C@@H]1CCN([C@H](C1)C(=O)O)C(C)(C)C 269956a_100009817619_100000211941 [0,1,0,0,1,0|2,0,0]=4 617 B16R1.1302 C=C(C#N)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100000694840 [0,1,0,0,0,1|1,0,1]=4 618 B16R1.1302 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCC(=O)CC)C 7a_100016197468_100000747405 [0,1,0,0,0,1|0,0,2]=4 619 B16R1.1302 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCC(=O)NC)C 34a_100016197468_100000183359 [0,1,0,0,0,1|0,0,2]=4 620 B16R1.1302 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCC(=O)NC)C 7a_100016197468_100000183359 [0,1,0,0,0,1|0,0,2]=4 621 B16R1.1302 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCC(=O)OC)C 34a_100016197468_100000747449 [0,1,0,0,0,1|0,0,2]=4 622 B16R1.1302 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCC(=O)OC)C 7a_100016197468_100000747449 [0,1,0,0,0,1|0,0,2]=4 623 B16R1.1302 C=CC(C)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100011215527_200009893639 [0,1,0,0,0,1|1,0,1]=4 624 B16R1.1302 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(Cl)CCl)C 34a_100000033668_200009893639 [0,1,0,0,0,1|1,0,1]=4 625 B16R1.1302 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(O)CO)C 34a_100000763588_100011219619 [0,1,0,0,0,1|0,0,2]=4 626 B16R1.1302 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(O)CO)C 7a_100000763588_100011219619 [0,1,0,0,0,1|0,0,2]=4 627 B16R1.1302 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[C@@H](C)CO)C 34a_100000763588_100000059175 [0,1,0,0,0,1|0,0,2]=4 628 B16R1.1302 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[C@@H](C)CO)C 7a_100000763588_100000059175 [0,1,0,0,0,1|0,0,2]=4 629 B16R1.1302 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[C@@H](O)CF)C 34a_100000763588_100015614560 [0,1,0,0,0,1|0,0,2]=4 630 B16R1.1302 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[C@@H](O)CF)C 7a_100000763588_100015614560 [0,1,0,0,0,1|0,0,2]=4 631 B16R1.1302 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[C@@H](O)CO)C 34a_100000763588_100009815848 [0,1,0,0,0,1|0,0,2]=4 632 B16R1.1302 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[C@@H](O)CO)C 7a_100000763588_100009815848 [0,1,0,0,0,1|0,0,2]=4 633 B16R1.1302 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[C@H](F)CN)C 34a_100015665980_200009893639 [0,1,0,0,0,1|1,0,1]=4 634 B16R1.1302 CC(CN)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000744482_200009893639 [0,1,0,0,0,1|1,0,1]=4 635 B16R1.1302 CC1CCC(C(C1)OCC(=O)CF)C(C)C 1458a_100000239268_100015361967 [0,1,0,0,0,1|0,0,0]=2 636 B16R1.1302 CCC(=O)COC1CC(CCC1C(C)C)C 1458a_100000239268_100000210202 [0,1,0,0,0,1|0,0,0]=2 637 B16R1.1302 CCC(=O)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000725409_200009893639 [0,1,0,0,0,1|0,0,0]=2 638 B16R1.1302 CCC(=O)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000747405 [0,1,0,0,0,1|0,0,0]=2 639 B16R1.1302 CCC(=O)CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100000747405_200009893639 [0,1,0,0,0,1|0,1,0]=3 640 B16R1.1302 CCC(=O)CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100000747405 [0,1,0,0,0,1|0,1,0]=3 641 B16R1.1302 CCC(=O)NN=C1C[C@@H](CC[C@H]1C(C)C)C 4a_100000183195_100009815803 [0,1,0,0,0,1|1,0,1]=4 642 B16R1.1302 CCC(C)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100000748023 [0,1,0,0,0,1|1,0,1]=4 643 B16R1.1302 CCC(C)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000748023 [0,1,0,0,0,1|1,0,1]=4 644 B16R1.1302 CCC(O)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100011218378 [0,1,0,0,0,1|0,0,2]=4 645 B16R1.1302 CCC(O)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100011218378 [0,1,0,0,0,1|0,0,2]=4 646 B16R1.1302 CC[C@H](C)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100009816398 [0,1,0,0,0,1|1,0,1]=4 647 B16R1.1302 CC[C@H](C)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100009816398 [0,1,0,0,0,1|1,0,1]=4 648 B16R1.1302 CNC(=O)CNC1C[C@@H](CC[C@H]1C(C)C)C 269862a_100000693194_100009815803 [0,1,0,0,0,1|1,0,0]=3 649 B16R1.1302 CNC(=O)CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100000183359 [0,1,0,0,0,1|1,0,0]=3 650 B16R1.1302 CNC(=O)CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_100000183359 [0,1,0,0,0,1|1,0,0]=3 651 B16R1.1302 CNC(=O)COC1CC(CCC1C(C)C)C 11a_106832991635_100000239268 [0,1,0,0,0,1|0,0,0]=2 652 B16R1.1302 CNC(=O)COC1CC(CCC1C(C)C)C 1626a_100102657272_100000239268 [0,1,0,0,0,1|0,0,0]=2 653 B16R1.1302 CNC(=O)COC1CC(CCC1C(C)C)C 240690a_100102657272_100000239268 [0,1,0,0,0,1|0,0,0]=2 654 B16R1.1302 CNC(=O)COC1CC(CCC1C(C)C)C 527a_100102657272_100000239268 [0,1,0,0,0,1|0,0,0]=2 655 B16R1.1302 CNC(=O)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000750040_200009893639 [0,1,0,0,0,1|0,0,0]=2 656 B16R1.1302 CNC(=O)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100000183359 [0,1,0,0,0,1|0,0,0]=2 657 B16R1.1302 CNC(=O)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000183359 [0,1,0,0,0,1|0,0,0]=2 658 B16R1.1302 CNC(=O)CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100000183359_200009893639 [0,1,0,0,0,1|0,1,0]=3 659 B16R1.1302 CNC(=O)CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100000183359 [0,1,0,0,0,1|0,1,0]=3 660 B16R1.1302 COC(=O)CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100000747449 [0,1,0,0,0,1|1,0,0]=3 661 B16R1.1302 COC(=O)CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_100000747449 [0,1,0,0,0,1|1,0,0]=3 662 B16R1.1302 COC(=O)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100000747449 [0,1,0,0,0,1|0,0,0]=2 663 B16R1.1302 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CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)CC(=O)N)C 1458a_100009868045_100000187820 [0,1,0,0,0,1|2,0,0]=4 673 B16R1.11392 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)CC(=O)[O-])C 1458a_100009868045_100020667443 [0,1,0,0,0,1|2,0,0]=4 674 B16R1.11392 CC(C)[C@H]1CC[C@@H](C[C@@H]1C(=O)CC(=O)N)C 1458a_100134613110_200009893639 [0,1,0,0,0,1|2,0,0]=4 675 B16R1.11392 CC(C)[C@H]1CC[C@@H](C[C@@H]1N(C)CC(=O)O)C 269956a_100000746989_200009893639 [0,1,0,0,0,1|2,0,0]=4 676 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(C)(C)C)C 34a_100000763588_100011219605 [0,1,0,0,0,1|1,0,1]=4 677 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(C)(C)F)C 34a_100000716592_200009893639 [0,1,0,0,0,1|1,0,1]=4 678 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(C)(C)F)C 34a_100000763588_100011997219 [0,1,0,0,0,1|1,0,1]=4 679 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(C)(C)O)C 34a_100000763588_100000764493 [0,1,0,0,0,1|0,0,2]=4 680 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(C)(C)O)C 7a_100000763588_100000764493 [0,1,0,0,0,1|0,0,2]=4 681 B16R1.11427 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B16R1.11435 CC(=O)C(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000179758 [0,1,0,0,0,1|0,0,0]=2 691 B16R1.11435 CC(=O)C(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100009814033_200009893639 [0,1,0,0,0,1|0,1,0]=3 692 B16R1.11435 CC(=O)C(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100009814033 [0,1,0,0,0,1|0,1,0]=3 693 B16R1.11435 CC(C)[C@@H]1CC[C@H](C[C@H]1NC(=O)C(=O)N)C 240690a_100025773825_100011215815 [0,1,0,0,0,1|2,0,0]=4 694 B16R1.11435 CC(C)[C@@H]1CC[C@H](C[C@H]1NC(F)C(=O)N)C 2230a_100025773825_100009813875 [0,1,0,0,0,1|2,0,0]=4 695 B16R1.11435 CC(C)[C@@H]1CC[C@H](C[C@H]1NC(F)C(=O)N)C 34a_100025773825_100009813875 [0,1,0,0,0,1|2,0,0]=4 696 B16R1.11435 CC(C)[C@@H]1CC[C@H](C[C@H]1NC(F)C(=O)[O-])C 34a_100025773825_100020610796 [0,1,0,0,0,1|2,0,0]=4 697 B16R1.11435 CC(C)[C@H]1CC[C@@H](C[C@@H]1N[C@@H](C)C(=O)O)C 269956a_100000743915_200009893639 [0,1,0,0,0,1|2,0,0]=4 698 B16R1.11435 CC(C)[C@H]1CC[C@@H](C[C@@H]1N[C@H](C)C(=O)N)C 34a_100000119354_200009893639 [0,1,0,0,0,1|2,0,0]=4 699 B16R1.11435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(F)C(=O)N)C 34a_100000763588_100009813875 [0,1,0,0,0,1|1,0,0]=3 700 B16R1.11435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(F)C(=O)N)C 7a_100000763588_100009813875 [0,1,0,0,0,1|1,0,0]=3 701 B16R1.11435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(F)C(=O)[O-])C 34a_100000763588_100020610796 [0,1,0,0,0,1|1,0,0]=3 702 B16R1.11435 CC(C)[C@H]1CC[C@@H](C[C@@H]1O[C@H](C)C(=O)N)C 34a_100000731257_200009893639 [0,1,0,0,0,1|1,0,0]=3 703 B16R1.11435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC(F)C(=O)N)C 62a_100009813875_200009893639 [0,1,0,0,0,1|1,1,0]=4 704 B16R1.11435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC(F)C(=O)N)C 62a_200009893639_100009813875 [0,1,0,0,0,1|1,1,0]=4 705 B16R1.11435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC(F)C(=O)[O-])C 62a_100020610796_200009893639 [0,1,0,0,0,1|1,1,0]=4 706 B16R1.11435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC(F)C(=O)[O-])C 62a_200009893639_100020610796 [0,1,0,0,0,1|1,1,0]=4 707 B16R1.11435 CC(N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)C(=O)N 2230a_100025773825_100000702099 [0,1,0,0,0,1|2,0,0]=4 708 B16R1.11435 CC(N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)C(=O)N 34a_100025773825_100000702099 [0,1,0,0,0,1|2,0,0]=4 709 B16R1.11435 CC(O[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C(=O)N 34a_100000763588_100000702099 [0,1,0,0,0,1|1,0,0]=3 710 B16R1.11435 CC(O[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C(=O)N 7a_100000763588_100000702099 [0,1,0,0,0,1|1,0,0]=3 711 B16R1.11435 CC(S[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C(=O)N 62a_100000702099_200009893639 [0,1,0,0,0,1|1,1,0]=4 712 B16R1.11435 CC(S[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C(=O)N 62a_200009893639_100000702099 [0,1,0,0,0,1|1,1,0]=4 713 B16R1.10287 C#CC(C)(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000189450_200009893639 [0,2,0,0,0,0|1,0,1]=4 714 B16R1.10287 C#CC(C)(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100000038118 [0,2,0,0,0,0|1,0,1]=4 715 B16R1.10287 C=CC(C)(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100011215311_200009893639 [0,2,0,0,0,0|1,0,1]=4 716 B16R1.10287 CC(C)[C@@H]1CC[C@H](C[C@H]1NS(=O)(=O)CCl)C 270084a_100025773825_100000031410 [0,2,0,0,0,0|2,0,0]=4 717 B16R1.10287 CC(C)[C@@H]1CC[C@H](C[C@H]1NS(=O)(=O)CCl)C 274078a_100025773825_100000031410 [0,2,0,0,0,0|2,0,0]=4 718 B16R1.10287 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(C)(C)C#N)C 34a_100000763588_100011162410 [0,2,0,0,0,0|1,0,1]=4 719 B16R1.10287 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(C)(C)C#N)C 34a_200015195151_200009893639 [0,2,0,0,0,0|1,0,1]=4 720 B16R1.10287 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(C)(C)C#N)C 7a_100000763588_100011162410 [0,2,0,0,0,0|1,0,1]=4 721 B16R1.10287 CCC(C)(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000210677 [0,2,0,0,0,0|1,0,1]=4 722 B16R1.10287 CCS(=O)(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 270084a_100025773825_100000211323 [0,2,0,0,0,0|2,0,0]=4 723 B16R1.10287 CCS(=O)(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 274078a_100025773825_100000211323 [0,2,0,0,0,0|2,0,0]=4 724 B16R1.10287 CCS(=O)(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 40a_100025773825_100000053943 [0,2,0,0,0,0|2,0,0]=4 725 B16R1.1519 C#CCC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1626a_100025773825_100011220946 [0,2,0,0,0,0|1,0,0]=3 726 B16R1.1519 C#CCC(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000685586_200009893639 [0,2,0,0,0,0|1,0,1]=4 727 B16R1.1519 C/C=C/C(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_200102604097_200009893639 [0,2,0,0,0,0|1,0,1]=4 728 B16R1.1519 C=CCC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 11a_100025773825_100000210193 [0,2,0,0,0,0|1,0,0]=3 729 B16R1.1519 C=CCC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1626a_100025773825_100000210193 [0,2,0,0,0,0|1,0,0]=3 730 B16R1.1519 C=CCC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 240690a_100025773825_100000210193 [0,2,0,0,0,0|1,0,0]=3 731 B16R1.1519 C=CC[C@@H](C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000731007_200009893639 [0,2,0,0,0,0|1,0,1]=4 732 B16R1.1519 CC#CC(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100011216543_200009893639 [0,2,0,0,0,0|1,0,1]=4 733 B16R1.1519 CC(C)[C@@H]1CC[C@H](C[C@H]1NC(=O)C=CBr)C 1626a_100025773825_100016273825 [0,2,0,0,0,0|1,0,1]=4 734 B16R1.1519 CC(C)[C@@H]1CC[C@H](C[C@H]1NC(=O)C=CBr)C 240690a_100025773825_100016273825 [0,2,0,0,0,0|1,0,1]=4 735 B16R1.1519 CC(C)[C@@H]1CC[C@H](C[C@H]1NC(=O)C=CCl)C 11a_100025773825_200016279998 [0,2,0,0,0,0|1,0,1]=4 736 B16R1.1519 CC(C)[C@@H]1CC[C@H](C[C@H]1NC(=O)C=CCl)C 1626a_100025773825_200016279998 [0,2,0,0,0,0|1,0,1]=4 737 B16R1.1519 CC(C)[C@@H]1CC[C@H](C[C@H]1NC(=O)C=CCl)C 240690a_100025773825_200016279998 [0,2,0,0,0,0|1,0,1]=4 738 B16R1.1519 CC(C)[C@@H]1CC[C@H](C[C@H]1NC(=O)C=CI)C 1626a_100025773825_100016256311 [0,2,0,0,0,0|1,0,1]=4 739 B16R1.1519 CC(C)[C@@H]1CC[C@H](C[C@H]1NC(=O)CC#N)C 1626a_100025773825_100051588842 [0,2,0,0,0,0|1,0,0]=3 740 B16R1.1519 CC(C)[C@@H]1CC[C@H](C[C@H]1NC(=O)CC#N)C 240690a_100025773825_100051588842 [0,2,0,0,0,0|1,0,0]=3 741 B16R1.1519 CC(C)[C@@H]1CC[C@H](C[C@H]1NC(=O)CCO)C 240690a_100025773825_100011216618 [0,2,0,0,0,0|1,0,0]=3 742 B16R1.1519 CC(C)[C@@H]1CC[C@H](C[C@H]1OC(=O)CO[13CH3])C 34a_202125551796_200025704644 [0,2,0,0,0,0|0,0,0]=2 743 B16R1.1519 CC(C)[C@@H]1CC[C@H](C[C@H]1OC(=O)CO[13CH3])C 7a_202125551796_200025704644 [0,2,0,0,0,0|0,0,0]=2 744 B16R1.1519 CC(CC#N)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100009813641 [0,2,0,0,0,0|1,0,1]=4 745 B16R1.1519 CC(CCBr)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100012276601_200009893639 [0,2,0,0,0,0|1,0,1]=4 746 B16R1.1519 CC(CCO)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100009893172 [0,2,0,0,0,0|0,0,2]=4 747 B16R1.1519 CC(CCO)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100009893172 [0,2,0,0,0,0|0,0,2]=4 748 B16R1.1519 CC1CCC(C(C1)OC(=O)CS[13CH3])C(C)C 62a_100000010294_200025704644 [0,2,0,0,0,0|0,0,0]=2 749 B16R1.1519 CC1CCC(C(C1)OC(=O)CS[13CH3])C(C)C 62a_200025704644_100000010294 [0,2,0,0,0,0|0,0,0]=2 750 B16R1.1519 CC=CC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 11a_100025773825_100000210699 [0,2,0,0,0,0|1,0,0]=3 751 B16R1.1519 CC=CC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1626a_100025773825_100000210699 [0,2,0,0,0,0|1,0,0]=3 752 B16R1.1519 CC=CC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 240690a_100025773825_100000210699 [0,2,0,0,0,0|1,0,0]=3 753 B16R1.1519 CCCC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 11a_100025773825_100000211992 [0,2,0,0,0,0|1,0,0]=3 754 B16R1.1519 CCCC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1626a_100025773825_100000211992 [0,2,0,0,0,0|1,0,0]=3 755 B16R1.1519 CCCC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 240690a_100025773825_100000211992 [0,2,0,0,0,0|1,0,0]=3 756 B16R1.1519 CCCC(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100000766640 [0,2,0,0,0,0|1,0,1]=4 757 B16R1.1519 CCCC(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000764384_200009893639 [0,2,0,0,0,0|1,0,1]=4 758 B16R1.1519 CCCC(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000766640 [0,2,0,0,0,0|1,0,1]=4 759 B16R1.1519 CCNC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2708a_100015525214_100025773825 [0,2,0,0,0,0|1,0,0]=3 760 B16R1.1519 CCNC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 273464a_100015525214_100025773825 [0,2,0,0,0,0|1,0,0]=3 761 B16R1.1519 CCNC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 273464a_100025773825_100015525214 [0,2,0,0,0,0|1,0,0]=3 762 B16R1.1519 CCNC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 512a_100015525214_100025773825 [0,2,0,0,0,0|1,0,0]=3 763 B16R1.1519 CCNC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 512a_100025773825_100015525214 [0,2,0,0,0,0|1,0,0]=3 764 B16R1.1519 CNCC(=O)OC1CC(CCC1C(C)C)C 2230a_106832991635_100000010294 [0,2,0,0,0,0|0,0,0]=2 765 B16R1.1519 CNCC(=O)OC1CC(CCC1C(C)C)C 34a_100102657272_100000010294 [0,2,0,0,0,0|0,0,0]=2 766 B16R1.1519 CNCC(=O)OC1CC(CCC1C(C)C)C 7a_106832991635_100000010294 [0,2,0,0,0,0|0,0,0]=2 767 B16R1.1519 CNNC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 273464a_100025773825_100016993582 [0,2,0,0,0,0|1,0,0]=3 768 B16R1.1519 CNNC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 512a_100016993582_100025773825 [0,2,0,0,0,0|1,0,0]=3 769 B16R1.1519 CNNC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 512a_100025773825_100016993582 [0,2,0,0,0,0|1,0,0]=3 770 B16R1.1519 COCC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 11a_100025773825_100000210968 [0,2,0,0,0,0|1,0,0]=3 771 B16R1.1519 COCC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1626a_100025773825_100000210968 [0,2,0,0,0,0|1,0,0]=3 772 B16R1.1519 COCC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 240690a_100025773825_100000210968 [0,2,0,0,0,0|1,0,0]=3 773 B16R1.1519 COCC(=O)OC1CC(CCC1C(C)C)C 34a_100138415774_100000010294 [0,2,0,0,0,0|0,0,0]=2 774 B16R1.1519 COCC(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_202125551796_200000210301 [0,2,0,0,0,0|0,0,0]=2 775 B16R1.1519 COCC(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 7a_202125551796_200000210301 [0,2,0,0,0,0|0,0,0]=2 776 B16R1.1519 COCC(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100000765312 [0,2,0,0,0,0|0,0,2]=4 777 B16R1.1519 COCC(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000765312 [0,2,0,0,0,0|0,0,2]=4 778 B16R1.1519 COC[C@@H](C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100011934205_200009893639 [0,2,0,0,0,0|0,0,2]=4 779 B16R1.1519 CSCC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 11a_100025773825_100000184570 [0,2,0,0,0,0|1,0,0]=3 780 B16R1.1519 CSCC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1626a_100025773825_100000184570 [0,2,0,0,0,0|1,0,0]=3 781 B16R1.1519 CSCC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 240690a_100025773825_100000184570 [0,2,0,0,0,0|1,0,0]=3 782 B16R1.1519 CSCC(=O)OC1CC(CCC1C(C)C)C 62a_100000010294_200000210301 [0,2,0,0,0,0|0,0,0]=2 783 B16R1.1519 CSCC(=O)OC1CC(CCC1C(C)C)C 62a_200000210301_100000010294 [0,2,0,0,0,0|0,0,0]=2 784 B16R1.1624 C/C=C(\C)/C(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100020587367_200009893639 [0,2,0,0,0,0|2,0,0]=4 785 B16R1.1624 CNC(=O)C(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100011218921_200009893639 [0,2,0,0,0,0|1,0,0]=3 786 B16R1.7260 C#CC(CC)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000758843_200009893639 [0,2,0,0,0,0|1,0,1]=4 787 B16R1.7260 C=CC(CC)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000766422_200009893639 [0,2,0,0,0,0|1,0,1]=4 788 B16R1.7260 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(C=O)C=O)C 34a_100000763588_100000736813 [0,2,0,0,0,0|0,0,2]=4 789 B16R1.7260 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(CF)CF)C 34a_100000032261_200009893639 [0,2,0,0,0,0|1,0,1]=4 790 B16R1.7260 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC(CN)CN)C 34a_100000031598_200009893639 [0,2,0,0,0,0|1,0,1]=4 791 B16R1.7260 CC(C)[C@H]1CC[C@@H](C[C@@H]1O[C@@H](CF)CCl)C 34a_100015614560_200009893639 [0,2,0,0,0,0|1,0,1]=4 792 B16R1.7260 CCC(CC)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000210505 [0,2,0,0,0,0|1,0,1]=4 793 B14R1.6063 CC(=O)OCN1CCC(CC1(C)C)O 269982a_100102422732_100000076356 [0,0,1,1,0,0|2,0,0]=4 794 B14R1.6063 CC(=O)OCN1CCN(CC1(C)C)C 269982a_200000695439_100000076356 [0,0,1,1,0,0|2,0,0]=4 795 B14R1.16455 CC(=O)CCN(CCC(C)C)C1CC1 269982a_100000737065_100000053229 [0,0,1,1,0,0|2,0,0]=4 796 B14R1.16455 CC(=O)OCN(CCC(C)C)C1CC1 269982a_100000737065_100000076356 [0,0,1,1,0,0|1,0,0]=3 797 B14R1.4279 CC(=O)OC(C)N1CCOCC1(C)C 269982a_100000724681_100009818208 [0,0,1,1,0,0|2,0,0]=4 798 B14R1.6048 CC(=O)OC(C)N1CCN(C[C@@H]1C)C 269982a_100012002466_100009818208 [0,0,1,1,0,0|2,0,0]=4 799 B14R1.9549 CC(=O)OC(C)N1CCC(C1(C)C)C 269982a_102516457003_100009818208 [0,0,1,1,0,0|1,0,0]=3 800 B14R1.20972 CC(=O)OC(C)N(CC1CC1)C(C)C 269982a_100000738798_100009818208 [0,0,1,1,0,0|1,0,0]=3 801 B14R1.1456 CC(=O)CCCN1CC(C1)CC(C)C 269982a_214813039686_100011215641 [0,0,1,1,0,0|2,0,0]=4 802 B14R1.1456 CC(=O)CCCN1CC(C1)CC(C)C 34a_214813039686_100000685027 [0,0,1,1,0,0|2,0,0]=4 803 B14R1.1456 CC(=O)NCCN1CC(C1)CC(C)C 2230a_214813039686_100000189650 [0,0,1,1,0,0|2,0,0]=4 804 B14R1.1456 CC(=O)NCCN1CC(C1)CC(C)C 269982a_214813039686_100000189650 [0,0,1,1,0,0|2,0,0]=4 805 B14R1.1456 CC(=O)OC1CN(C1)CCCC(C)C 269982a_100016994906_100011214892 [0,0,1,1,0,0|1,0,0]=3 806 B14R1.1456 CC(=O)OC1CN(C1)CCCC(C)O 269982a_100016994906_200000718107 [0,0,1,1,0,0|2,0,0]=4 807 B14R1.1456 CC(=O)OC1CN(C1)CCCN(C)C 269982a_100016994906_100000757444 [0,0,1,1,0,0|2,0,0]=4 808 B14R1.1456 CC(=O)OC1CN(C1)CCOC(C)C 269982a_100016994906_100000211751 [0,0,1,1,0,0|2,0,0]=4 809 B14R1.1456 CC(=O)OC1CN(C1)CCSC(C)C 269982a_100016994906_100000730970 [0,0,1,1,0,0|2,0,0]=4 810 B14R1.1456 CC(=O)OCCN1CC(C1)CC(C)C 269982a_214813039686_100009814007 [0,0,1,1,0,0|1,0,0]=3 811 B14R1.1456 CC(=O)OCCN1CC(C1)CC(C)C 34a_214813039686_100009814007 [0,0,1,1,0,0|1,0,0]=3 812 B14R1.1456 CC(=O)OCCN1CC(C1)CN(C)C 269982a_100015199603_100009814007 [0,0,1,1,0,0|2,0,0]=4 813 B14R1.1456 CC(=O)OCCN1CC(C1)OC(C)C 269982a_100000698322_100009814007 [0,0,1,1,0,0|2,0,0]=4 814 B14R1.1456 CC(=O)OCCN1CC(C1)OC(C)C 34a_100000698322_100009814007 [0,0,1,1,0,0|2,0,0]=4 815 B14R1.1456 CC(C)CC1CN(C1)CCOC(=O)N 269982a_214813039686_200011214921 [0,0,1,1,0,0|2,0,0]=4 816 B14R1.1456 CC(C)CC1CN(C1)CCOC(=O)N 34a_214813039686_200011214921 [0,0,1,1,0,0|2,0,0]=4 817 B14R1.1470 CC(C)CCCC(C)CCOC1CC1 34a_100000015991_100000211595 [0,0,1,1,0,0|1,0,1]=4 818 B14R1.4268 CC(=O)OCCN(C)C1CCN(C1)C 269982a_103436538152_100009814007 [0,0,1,1,0,0|2,0,0]=4 819 B14R1.4917 CC(=O)CCCN1CCCC(CC1)C 269982a_100025706717_100011215641 [0,0,1,1,0,0|2,0,0]=4 820 B14R1.4917 CC(=O)CCCN1CCCC(CC1)C 34a_100025706717_100000685027 [0,0,1,1,0,0|2,0,0]=4 821 B14R1.4917 CC(=O)NCCN1CCCC(CC1)C 2230a_100025706717_100000189650 [0,0,1,1,0,0|2,0,0]=4 822 B14R1.4917 CC(=O)NCCN1CCCC(CC1)C 269982a_100025706717_100000189650 [0,0,1,1,0,0|2,0,0]=4 823 B14R1.4917 CC(=O)OCCN1CCCC(CC1)C 269982a_100025706717_100009814007 [0,0,1,1,0,0|1,0,0]=3 824 B14R1.4917 CC(=O)OCCN1CCCC(CC1)C 34a_100025706717_100009814007 [0,0,1,1,0,0|1,0,0]=3 825 B14R1.4917 CC(=O)OCCN1CCCC(CC1)O 269982a_100015186869_100009814007 [0,0,1,1,0,0|2,0,0]=4 826 B14R1.4917 CC(=O)OCCN1CCCN(CC1)C 269982a_100000211313_100009814007 [0,0,1,1,0,0|2,0,0]=4 827 B14R1.4917 CC(C)CCCN1CCNC(=O)CC1 2230a_100000698595_100011214892 [0,0,1,1,0,0|2,0,0]=4 828 B14R1.4917 CC(C)CCCN1CCNC(=O)CC1 269982a_100000698595_100011214892 [0,0,1,1,0,0|2,0,0]=4 829 B14R1.4917 CC1CCCN(CC1)CCOC(=O)N 269982a_100025706717_200011214921 [0,0,1,1,0,0|2,0,0]=4 830 B14R1.4917 CC1CCCN(CC1)CCOC(=O)N 34a_100025706717_200011214921 [0,0,1,1,0,0|2,0,0]=4 831 B14R1.6314 CC(=O)N1CCC(C1)NCCC(C)C 2230a_100000705975_100000210312 [0,0,1,1,0,0|2,0,0]=4 832 B14R1.6314 CC(=O)N1CCC(C1)NCCC(C)C 269862a_100000705975_100000185833 [0,0,1,1,0,0|2,0,0]=4 833 B14R1.6314 CC(=O)N1CC[C@@H](C1)OCCC(C)C 7a_100012000934_100000210626 [0,0,1,1,0,0|2,0,0]=4 834 B14R1.6314 CC(=O)OCCN1CC[C@@H](C1)N(C)C 269982a_100016988096_100009814007 [0,0,1,1,0,0|2,0,0]=4 835 B14R1.6385 CC(=O)CCCN1CCCC(C1)(C)C 269982a_100000716857_100011215641 [0,0,1,1,0,0|2,0,0]=4 836 B14R1.6385 CC(=O)CCCN1CCCC(C1)(C)C 34a_100000716857_100000685027 [0,0,1,1,0,0|2,0,0]=4 837 B14R1.6385 CC(=O)CCOC1CCCC(C1)(C)C 7a_100011995757_100000053229 [0,0,1,1,0,0|2,0,0]=4 838 B14R1.6385 CC(=O)NCCN1CCCC(C1)(C)C 2230a_100000716857_100000189650 [0,0,1,1,0,0|2,0,0]=4 839 B14R1.6385 CC(=O)NCCN1CCCC(C1)(C)C 269982a_100000716857_100000189650 [0,0,1,1,0,0|2,0,0]=4 840 B14R1.6385 CC(=O)OCCN1CCCC(C1)(C)C 269982a_100000716857_100009814007 [0,0,1,1,0,0|1,0,0]=3 841 B14R1.6385 CC(=O)OCCN1CCCC(C1)(C)C 34a_100000716857_100009814007 [0,0,1,1,0,0|1,0,0]=3 842 B14R1.6385 CC(=O)OCCN1CCCC(C1)(C)O 269982a_100000695535_100009814007 [0,0,1,1,0,0|2,0,0]=4 843 B14R1.6385 CC(=O)OCCN1CCOC(C1)(C)C 269982a_100000738910_100009814007 [0,0,1,1,0,0|2,0,0]=4 844 B14R1.6385 CC(=O)OCCN1CCOC(C1)(C)C 34a_100000738910_100009814007 [0,0,1,1,0,0|2,0,0]=4 845 B14R1.6385 CC(=O)OCOC1CCOC(C1)(C)C 34a_100000693217_100009813279 [0,0,1,1,0,0|2,0,0]=4 846 B14R1.6385 CC(=O)OCSC1CCOC(C1)(C)C 62a_100000076356_100010191092 [0,0,1,1,0,0|2,0,0]=4 847 B14R1.6385 CC(=O)OCSC1CCOC(C1)(C)C 62a_100010191092_100000076356 [0,0,1,1,0,0|2,0,0]=4 848 B14R1.6385 CC1(CCCN(C1)CCOC(=O)N)C 269982a_100000716857_200011214921 [0,0,1,1,0,0|2,0,0]=4 849 B14R1.6385 CC1(CCCN(C1)CCOC(=O)N)C 34a_100000716857_200011214921 [0,0,1,1,0,0|2,0,0]=4 850 B14R2.9513 CC(C)C1CCCCC1OC2CC2 34a_100011709184_100000211595 [1,0,0,1,0,0|1,0,1]=4 851 B14R2.9205 C[C@@H]1CCN([C@H](C1)C(=O)O)C2CC2 269956a_100009817619_100000211595 [0,0,0,1,1,0|2,0,0]=4 852 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC2CC2)C 34a_100000211283_200009893639 [0,0,0,1,0,1|1,0,1]=4 853 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC2CC2)C 34a_100000763588_100000742324 [0,0,0,1,0,1|1,0,1]=4 854 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC2CC2)C 7a_100000763588_100000742324 [0,0,0,1,0,1|1,0,1]=4 855 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC2CO2)C 34a_100000763588_102125554688 [0,0,0,1,0,1|0,0,2]=4 856 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC2CO2)C 7a_100000763588_102125554688 [0,0,0,1,0,1|0,0,2]=4 857 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC2CS2)C 7a_100000763588_100000031435 [0,0,0,1,0,1|0,1,1]=4 858 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[C@@H]2CO2)C 34a_100000757423_200009893639 [0,0,0,1,0,1|0,0,2]=4 859 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[C@@H]2CO2)C 7a_100000763588_100000745022 [0,0,0,1,0,1|0,0,2]=4 860 B16R2.84546 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC2CCC2)C 34a_100000748187_200009893639 [0,1,0,1,0,0|1,0,1]=4 861 B16R2.84546 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC2CCC2)C 34a_100000763588_100000749161 [0,1,0,1,0,0|1,0,1]=4 862 B16R2.84546 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC2COC2)C 34a_100000763588_100009818527 [0,1,0,1,0,0|0,0,2]=4 863 B16R2.84546 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC2COC2)C 7a_100000763588_100009818527 [0,1,0,1,0,0|0,0,2]=4 864 B12R0.43 CC(=O)O[C@@H](C(=O)C(C)C)C(C)C 1458a_100016231877_100000210206 [0,0,1,0,1,0|1,0,1]=4 865 B12R0.138 CC(=O)CCN(CC(C)C)C(C)C 269982a_100000737641_100000053229 [0,0,1,0,1,0|2,0,0]=4 866 B12R0.138 CC(=O)OCN(CC(C)C)C(C)C 269982a_100000737641_100000076356 [0,0,1,0,1,0|1,0,0]=3 867 B12R0.138 CC(C)CNC(CC(=O)O)C(C)C 269956a_100000695669_100000210760 [0,0,1,0,1,0|2,0,0]=4 868 B12R0.151 CCC(C)N[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000758301 [0,0,1,0,1,0|2,0,0]=4 869 B12R0.151 CCC(C)N[C@@H](CC(C)C)C(=O)N 34a_100016989234_100011215416 [0,0,1,0,1,0|2,0,0]=4 870 B12R0.253 CC(=O)C(C)N(CCCO)C(C)C 2230a_100000182298_100009814033 [0,0,1,0,1,0|2,0,0]=4 871 B12R0.253 CC(=O)C(C)N(CCCO)C(C)C 269982a_100000182298_100009814033 [0,0,1,0,1,0|2,0,0]=4 872 B12R0.253 CCCCN(C(C)C)C(C)C(=O)C 2230a_100000207398_100009814033 [0,0,1,0,1,0|1,0,0]=3 873 B12R0.253 CCCCN(C(C)C)C(C)C(=O)C 269982a_100000207398_100009814033 [0,0,1,0,1,0|1,0,0]=3 874 B12R0.253 CCCCN(C(C)C)C(C)C(=O)N 2230a_100000207398_100000702099 [0,0,1,0,1,0|2,0,0]=4 875 B12R0.253 CCCCN(C(C)C)C(C)C(=O)N 269982a_100000207398_100000184083 [0,0,1,0,1,0|2,0,0]=4 876 B12R0.253 COCCN(C(C)C)C(C)C(=O)C 2230a_200000223778_100009814033 [0,0,1,0,1,0|2,0,0]=4 877 B12R0.253 COCCN(C(C)C)C(C)C(=O)C 269982a_200000223778_100009814033 [0,0,1,0,1,0|2,0,0]=4 878 B12R0.44 C=C(C)CCC(C)NCCC(C)C 270004a_100000210545_100011215600 [0,0,1,0,1,0|2,0,0]=4 879 B12R0.44 C=C(C)CNC(C)CCCC(C)C 2230a_100000210607_100000748629 [0,0,1,0,1,0|2,0,0]=4 880 B12R0.44 C=C(C)COC(C)CCCC(C)C 34a_200011218570_100000748629 [0,0,1,0,1,0|2,0,0]=4 881 B12R0.44 C=C(C)COC(C)CCCC(C)C 7a_200011218570_100000748629 [0,0,1,0,1,0|2,0,0]=4 882 B12R0.44 CC(=O)CCC(C)CCC=C(C)C 1458a_100000070787_100009814015 [0,0,1,0,1,0|0,0,2]=4 883 B12R0.44 CC(=O)CCC(C)CCCC(C)C 1458a_100000070787_100009816328 [0,0,1,0,1,0|0,0,0]=2 884 B12R0.44 CC(=O)CCCN(C)CCC(C)C 269982a_100000742789_100011215641 [0,0,1,0,1,0|2,0,0]=4 885 B12R0.44 CC(=O)CCN(C)CCCN(C)C 269982a_100000225831_100000053229 [0,0,1,0,1,0|2,0,0]=4 886 B12R0.44 CC(=O)CCOC(C)CCC(C)C 34a_100000759926_100011261404 [0,0,1,0,1,0|2,0,0]=4 887 B12R0.44 CC(=O)CCOC(C)CCC(C)C 7a_100011215350_100000053229 [0,0,1,0,1,0|2,0,0]=4 888 B12R0.44 CC(=O)CCSC(C)CCC(C)C 62a_100000053229_100011261404 [0,0,1,0,1,0|2,0,0]=4 889 B12R0.44 CC(=O)CCSC(C)CCC(C)C 62a_100011261404_100000053229 [0,0,1,0,1,0|2,0,0]=4 890 B12R0.44 CC(=O)NCCN(C)CCC(C)C 2230a_100000742789_100000189650 [0,0,1,0,1,0|2,0,0]=4 891 B12R0.44 CC(=O)NCCN(C)CCC(C)C 269982a_100000742789_100000189650 [0,0,1,0,1,0|2,0,0]=4 892 B12R0.44 CC(=O)OCC(=O)CCCC(C)C 1458a_100000183556_100011214892 [0,0,1,0,1,0|1,0,1]=4 893 B12R0.44 CC(=O)OCC(C)NCCC(C)C 270004a_100000210545_100000000629 [0,0,1,0,1,0|1,0,0]=3 894 B12R0.44 CC(=O)OCC(C)NCCC(C)O 270004a_200000755665_100000000629 [0,0,1,0,1,0|2,0,0]=4 895 B12R0.44 CC(=O)OCC(C)NCCN(C)C 270004a_100000210585_100000000629 [0,0,1,0,1,0|2,0,0]=4 896 B12R0.44 CC(=O)OCC(O)CNCC(C)C 34a_100000210953_200000139349 [0,0,1,0,1,0|2,0,0]=4 897 B12R0.44 CC(=O)OCC(O)COCC(C)C 34a_100000210257_200000139349 [0,0,1,0,1,0|2,0,0]=4 898 B12R0.44 CC(=O)OCC(O)CSCC(C)C 62a_100000210624_200000139349 [0,0,1,0,1,0|2,0,0]=4 899 B12R0.44 CC(=O)OCC(O)CSCC(C)C 62a_200000139349_100000210760 [0,0,1,0,1,0|2,0,0]=4 900 B12R0.44 CC(=O)OCCC(=O)CCC(C)C 1458a_100000181311_100009814007 [0,0,1,0,1,0|1,0,1]=4 901 B12R0.44 CC(=O)OCCN(C)CCC(C)C 269982a_100000742789_100009814007 [0,0,1,0,1,0|1,0,0]=3 902 B12R0.44 CC(=O)OCCN(C)CCN(C)C 269982a_100000225618_100009814007 [0,0,1,0,1,0|2,0,0]=4 903 B12R0.44 CC(=O)OCN(C)CCCN(C)C 269982a_100000225831_100000076356 [0,0,1,0,1,0|2,0,0]=4 904 B12R0.44 CC(=O)OCOC(C)CCC(C)C 34a_100011215350_100009813279 [0,0,1,0,1,0|1,0,0]=3 905 B12R0.44 CC(=O)OCSC(C)CCC(C)C 62a_100000076356_100011261404 [0,0,1,0,1,0|1,0,0]=3 906 B12R0.44 CC(=O)OCSC(C)CCC(C)C 62a_100011261404_100000076356 [0,0,1,0,1,0|1,0,0]=3 907 B12R0.44 CC(=O)SCC(C)CNCC(C)C 2230a_100000210953_200000116872 [0,0,1,0,1,0|1,1,0]=4 908 B12R0.44 CC(=O)SCC(C)CNCC(C)C 34a_100000210953_200000116872 [0,0,1,0,1,0|1,1,0]=4 909 B12R0.44 CC(=O)SCC(C)COCC(C)C 34a_100000210257_200000116872 [0,0,1,0,1,0|1,1,0]=4 910 B12R0.44 CC(=O)SCC(C)CSCC(C)C 62a_100000210624_200000116872 [0,0,1,0,1,0|1,1,0]=4 911 B12R0.44 CC(=O)SCC(C)CSCC(C)C 62a_200000116872_100000210760 [0,0,1,0,1,0|1,1,0]=4 912 B12R0.44 CC(C)CCCC(C)CCN(C)C 2230a_100102631434_100009816328 [0,0,1,0,1,0|2,0,0]=4 913 B12R0.44 CC(C)CCCC(C)CCN(C)C 269982a_100102631434_100009816328 [0,0,1,0,1,0|2,0,0]=4 914 B12R0.44 CC(C)CCCC(C)NCC(=O)N 2230a_100000210607_100000747473 [0,0,1,0,1,0|2,0,0]=4 915 B12R0.44 CC(C)CCCC(C)OCC(=O)N 34a_200011218570_100000187820 [0,0,1,0,1,0|2,0,0]=4 916 B12R0.44 CC(C)CCCC(C)OCC(=O)N 7a_200011218570_100000187820 [0,0,1,0,1,0|2,0,0]=4 917 B12R0.44 CC(C)CCCC(C)OCC(=O)[O-] 34a_200011218570_100020667443 [0,0,1,0,1,0|2,0,0]=4 918 B12R0.44 CC(C)CCCN(C)CCC(=O)N 2230a_100000730477_100011214892 [0,0,1,0,1,0|2,0,0]=4 919 B12R0.44 CC(C)CCN(C)CCOC(=O)N 269982a_100000742789_200011214921 [0,0,1,0,1,0|2,0,0]=4 920 B12R1.261 CC(=O)C1CCCCN1C(C)C 1458a_100000755935_200000210301 [1,0,0,0,1,0|1,0,0]=3 921 B12R1.261 CC(=O)N1CCCCC1C(C)C 11a_100000757267_100015343762 [1,0,0,0,1,0|1,0,0]=3 922 B12R1.261 CC(=O)N1CCCCC1C(C)C 1626a_100000757267_100015343762 [1,0,0,0,1,0|1,0,0]=3 923 B12R1.261 CC(=O)N1CCCCC1C(C)C 240690a_100000757267_100015343762 [1,0,0,0,1,0|1,0,0]=3 924 B12R1.261 CC(=O)N1CCOC[C@@H]1C(C)C 11a_100025712635_100015343762 [1,0,0,0,1,0|2,0,0]=4 925 B12R1.261 CC(=O)N1CCOC[C@@H]1C(C)C 1626a_100025712635_100015343762 [1,0,0,0,1,0|2,0,0]=4 926 B12R1.261 CC(=O)N1CCOC[C@@H]1C(C)C 240690a_100025712635_100015343762 [1,0,0,0,1,0|2,0,0]=4 927 B12R1.261 CC(C)N1CCCCC1C(=O)N 2230a_100000181395_100000210206 [1,0,0,0,1,0|2,0,0]=4 928 B12R1.261 CC(C)N1CCCCC1C(=O)N 269982a_100000181395_100000210206 [1,0,0,0,1,0|2,0,0]=4 929 B12R1.261 CC(C)N1CCCCC1C(=O)N 34a_100000181395_100000210206 [1,0,0,0,1,0|2,0,0]=4 930 B12R1.261 CC(C)N1CCCCC1C(=O)[13CH3] 1458a_100000755935_200025704644 [1,0,0,0,1,0|1,0,0]=3 931 B12R1.261 CC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210206 [1,0,0,0,1,0|2,0,0]=4 932 B12R1.46 CCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210202 [1,0,0,0,1,0|2,0,0]=4 933 B14R0.618 CC(=O)OCC(C)N(CCCO)C(C)C 270004a_100000182298_100000000629 [0,0,1,0,0,1|2,0,0]=4 934 B14R0.618 CCCCN(C(C)C)C(C)COC(=O)C 270004a_100000207398_100000000629 [0,0,1,0,0,1|1,0,0]=3 935 B14R0.618 COCCN(C(C)C)C(C)COC(=O)C 270004a_200000223778_100000000629 [0,0,1,0,0,1|2,0,0]=4 936 B14R0.67 C=C(C)CNCCC(C)CCCC(C)C 2230a_102516457229_100000748629 [0,0,1,0,0,1|2,0,0]=4 937 B14R0.67 C=C(C)COCCC(C)CCCC(C)C 34a_100000015991_100000748629 [0,0,1,0,0,1|1,0,0]=3 938 B14R0.67 C=C(C)COCCC(C)CCCC(C)C 34a_100000210245_100009816328 [0,0,1,0,0,1|1,0,0]=3 939 B14R0.67 C=C(C)COCCC(C)CCCC(C)C 7a_100000015991_100000748629 [0,0,1,0,0,1|1,0,0]=3 940 B14R0.67 C=C(C)CSCCC(C)CCCC(C)C 62a_100000748629_100009816328 [0,0,1,0,0,1|1,1,0]=4 941 B14R0.67 C=C(C)CSCCC(C)CCCC(C)C 62a_100009816328_100000211660 [0,0,1,0,0,1|1,1,0]=4 942 B14R0.67 C=C(F)COCCC(C)CCCC(C)C 34a_100000015991_100009893438 [0,0,1,0,0,1|1,0,1]=4 943 B14R0.67 C=C(F)COCCC(C)CCCC(C)C 34a_200010262243_100009816328 [0,0,1,0,0,1|1,0,1]=4 944 B14R0.67 C=C(F)COCCC(C)CCCC(C)C 7a_100000015991_100000042424 [0,0,1,0,0,1|1,0,1]=4 945 B14R0.67 CC(=CCCC(C)CCNCC(C)C)C 2230a_100000210953_100009814015 [0,0,1,0,0,1|2,0,0]=4 946 B14R0.67 CC(=CCCC(C)CCNCC(C)C)C 269862a_100000210953_100000212096 [0,0,1,0,0,1|2,0,0]=4 947 B14R0.67 CC(=CCCC(C)CCNCC(C)C)C 270004a_100000210953_100000212096 [0,0,1,0,0,1|2,0,0]=4 948 B14R0.67 CC(=CCCC(C)CCNCC(C)C)C 34a_100000210953_100009814015 [0,0,1,0,0,1|2,0,0]=4 949 B14R0.67 CC(=CCCC(C)CCOCC(C)C)C 34a_100000017536_100000210624 [0,0,1,0,0,1|2,0,0]=4 950 B14R0.67 CC(=CCCC(C)CCOCC(C)C)C 34a_100000210257_100009814015 [0,0,1,0,0,1|2,0,0]=4 951 B14R0.67 CC(=CCCC(C)CCOCC(C)C)C 7a_100000017536_100000210760 [0,0,1,0,0,1|2,0,0]=4 952 B14R0.67 CC(=CCCC(C)CCSCC(C)C)C 62a_100000210624_100009814015 [0,0,1,0,0,1|2,0,0]=4 953 B14R0.67 CC(=CCCC(C)CCSCC(C)C)C 62a_100009814015_100000210760 [0,0,1,0,0,1|2,0,0]=4 954 B14R0.67 CC(=CCCC(C)CNCCC(C)C)C 270004a_100000210545_100000033009 [0,0,1,0,0,1|2,0,0]=4 955 B14R0.67 CC(=CCCC(C)NCCCC(C)C)C 270004a_200000737386_100000765506 [0,0,1,0,0,1|2,0,0]=4 956 B14R0.67 CC(=CCCC(C)OCCCC(C)C)C 34a_100102619829_100011214892 [0,0,1,0,0,1|2,0,0]=4 957 B14R0.67 CC(=CCCC(C)OCCCC(C)C)C 7a_100102619829_100011214892 [0,0,1,0,0,1|2,0,0]=4 958 B14R0.67 CC(=CCCNC(C)CCCC(C)C)C 2230a_100000210607_100011217483 [0,0,1,0,0,1|2,0,0]=4 959 B14R0.67 CC(=CCCOC(C)CCCC(C)C)C 34a_200011218570_100011217483 [0,0,1,0,0,1|2,0,0]=4 960 B14R0.67 CC(=CCCOC(C)CCCC(C)C)C 7a_200011218570_100011217483 [0,0,1,0,0,1|2,0,0]=4 961 B14R0.67 CC(=O)CCCOC(C)CCCC(C)C 34a_200011218570_100000685027 [0,0,1,0,0,1|1,0,0]=3 962 B14R0.67 CC(=O)CCCOC(C)CCCC(C)C 7a_200011218570_100011215641 [0,0,1,0,0,1|1,0,0]=3 963 B14R0.67 CC(=O)COCCC(C)CCC=C(C)C 34a_100000211253_100009814015 [0,0,1,0,0,1|0,0,2]=4 964 B14R0.67 CC(=O)COCCC(C)CCCC(C)C 34a_100000211253_100009816328 [0,0,1,0,0,1|0,0,0]=2 965 B14R0.67 CC(=O)NCCNC(C)CCCC(C)C 2230a_100000210607_100000189650 [0,0,1,0,0,1|1,0,0]=3 966 B14R0.67 CC(=O)NCCOC(C)CCCC(C)C 7a_200011218570_100000189650 [0,0,1,0,0,1|1,0,0]=3 967 B14R0.67 CC(=O)OCCC(=O)CCCCC(C)C 1458a_100011933920_100009814007 [0,0,1,0,0,1|1,0,1]=4 968 B14R0.67 CC(=O)OCCCC(=O)CCCC(C)C 1458a_100011216857_100000042594 [0,0,1,0,0,1|1,0,1]=4 969 B14R0.67 CC(=O)OCCCN(C)CCCN(C)C 269982a_100000225831_100000042594 [0,0,1,0,0,1|2,0,0]=4 970 B14R0.67 CC(=O)OCCNC(=O)CCCC(C)C 11a_100000724843_100011216857 [0,0,1,0,0,1|1,0,1]=4 971 B14R0.67 CC(=O)OCCNC(=O)CCCC(C)C 240690a_100000724843_100011216857 [0,0,1,0,0,1|1,0,1]=4 972 B14R0.67 CC(=O)OCCNC(=O)CCCC(C)C 527a_100000724843_100011216857 [0,0,1,0,0,1|1,0,1]=4 973 B14R0.67 CC(=O)OCCOC(C)CCC=C(C)C 34a_100102619829_100009814007 [0,0,1,0,0,1|0,0,2]=4 974 B14R0.67 CC(=O)OCCOC(C)CCC=C(C)C 7a_100102619829_100009814007 [0,0,1,0,0,1|0,0,2]=4 975 B14R0.67 CC(=O)OCCOC(C)CCCC(C)C 34a_200011218570_100009814007 [0,0,1,0,0,1|0,0,0]=2 976 B14R0.67 CC(=O)OCCOC(C)CCCC(C)C 7a_200011218570_100009814007 [0,0,1,0,0,1|0,0,0]=2 977 B14R0.67 CC(C)CCCC(C)CCNCC(=O)N 2230a_100000711301_100009816328 [0,0,1,0,0,1|2,0,0]=4 978 B14R0.67 CC(C)CCCC(C)CCNCC(=O)N 2230a_102516457229_100000747473 [0,0,1,0,0,1|2,0,0]=4 979 B14R0.67 CC(C)CCCC(C)CCNCC(=O)O 269956a_100016091260_100009816328 [0,0,1,0,0,1|2,0,0]=4 980 B14R0.67 CC(C)CCCC(C)CCOCC(=O)N 34a_100000015991_100000187820 [0,0,1,0,0,1|1,0,0]=3 981 B14R0.67 CC(C)CCCC(C)CCOCC(=O)N 7a_100000015991_100000187820 [0,0,1,0,0,1|1,0,0]=3 982 B14R0.67 CC(C)CCCC(C)CCOCC(=O)[O-] 34a_100000015991_100020667443 [0,0,1,0,0,1|1,0,0]=3 983 B14R0.67 CC(C)CCCC(C)CCOCC(C)Br 34a_100012180447_100009816328 [0,0,1,0,0,1|1,0,1]=4 984 B14R0.67 CC(C)CCCC(C)CCOCC(C)C 34a_100000015991_100000210624 [0,0,1,0,0,1|1,0,1]=4 985 B14R0.67 CC(C)CCCC(C)CCOCC(C)C 34a_100000210257_100009816328 [0,0,1,0,0,1|1,0,1]=4 986 B14R0.67 CC(C)CCCC(C)CCOCC(C)C 7a_100000015991_100000210760 [0,0,1,0,0,1|1,0,1]=4 987 B14R0.67 CC(C)CCCC(C)CCOCC(C)F 34a_100015925927_100009816328 [0,0,1,0,0,1|1,0,1]=4 988 B14R0.67 CC(C)CCCC(C)CCOCC(C)O 34a_100000015991_100011218427 [0,0,1,0,0,1|0,0,2]=4 989 B14R0.67 CC(C)CCCC(C)CCOCC(C)O 7a_100000015991_100011218427 [0,0,1,0,0,1|0,0,2]=4 990 B14R0.67 CC(C)CCCC(C)CCOC[C@@H](C)Cl 34a_100016084084_100009816328 [0,0,1,0,0,1|1,0,1]=4 991 B14R0.67 CC(C)CCCC(C)CCOC[C@@H](C)N 34a_100000737577_100009816328 [0,0,1,0,0,1|1,0,1]=4 992 B14R0.67 CC(C)CCCC(C)CCOC[C@@H](C)O 34a_100000015991_100009817552 [0,0,1,0,0,1|0,0,2]=4 993 B14R0.67 CC(C)CCCC(C)CCOC[C@@H](C)O 7a_100000015991_100009817552 [0,0,1,0,0,1|0,0,2]=4 994 B14R0.67 CC(C)CCCC(C)CCOC[N+](=O)[O-] 34a_100000015991_100000761209 [0,0,1,0,0,1|2,0,0]=4 995 B14R0.67 CC(C)CCCC(C)CCSCC(=O)N 62a_100000747473_100009816328 [0,0,1,0,0,1|1,1,0]=4 996 B14R0.67 CC(C)CCCC(C)CCSCC(=O)N 62a_100009816328_100000747473 [0,0,1,0,0,1|1,1,0]=4 997 B14R0.67 CC(C)CCCC(C)CCSCC(=O)[O-] 62a_100009816328_100020667443 [0,0,1,0,0,1|1,1,0]=4 998 B14R0.67 CC(C)CCCC(C)CCSCC(=O)[O-] 62a_100020667443_100009816328 [0,0,1,0,0,1|1,1,0]=4 999 B14R0.67 CC(C)CCCC(C)NCCCS(=O)C 270004a_200000753449_100000753411 [0,0,1,0,0,1|2,0,0]=4 1000 B14R0.67 CC(C)CCCC(C)NCCNC(=O)N 2230a_100000210607_200000034859 [0,0,1,0,0,1|2,0,0]=4 1001 B14R0.67 CC(C)CCCC(C)NCCOC(C)C 2230a_100000210607_100000211751 [0,0,1,0,0,1|1,0,1]=4 1002 B14R0.67 CC(C)CCCC(C)NCCOC(C)C 270004a_100000701111_100000753411 [0,0,1,0,0,1|1,0,1]=4 1003 B14R0.67 CC(C)CCCC(C)OCCCC(=O)N 34a_200011218570_100102525003 [0,0,1,0,0,1|2,0,0]=4 1004 B14R0.67 CC(C)CCCC(C)OCCCC(=O)N 7a_200011218570_100102525003 [0,0,1,0,0,1|2,0,0]=4 1005 B14R0.67 CC(C)CCCC(C)OCCNC(=O)N 7a_200011218570_200000034859 [0,0,1,0,0,1|2,0,0]=4 1006 B14R0.67 CC(C)CCCC(C)OCCOC(=O)N 34a_200011218570_200011214921 [0,0,1,0,0,1|1,0,0]=3 1007 B14R0.67 CC(C)CCCC(C)OCCOC(=O)N 7a_200011218570_200011214921 [0,0,1,0,0,1|1,0,0]=3 1008 B14R0.67 CC(C)CCCC(C)OCCOC(C)C 34a_200011218570_100000211751 [0,0,1,0,0,1|1,0,1]=4 1009 B14R0.67 CC(C)CCCC(C)OCCOC(C)C 7a_200011218570_100000211751 [0,0,1,0,0,1|1,0,1]=4 1010 B14R0.67 CC(C)CCCNC(C)CCOC(C)C 270004a_200000737386_200011219172 [0,0,1,0,0,1|1,0,1]=4 1011 B14R0.67 CC(C)CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100011214892 [0,0,1,0,0,1|2,0,0]=4 1012 B14R1.814 CC(C)NC1CCCCC1OC(C)C 34a_100000692356_100000210206 [1,0,0,0,0,1|1,0,1]=4 1013 B14R1.4522 C=C(C)COC1CCCCC1C(C)C 34a_100011709184_100000748629 [1,0,0,0,0,1|1,0,0]=3 1014 B14R1.4522 C=C(C)COC1CCCCC1C(C)C 7a_100011709184_100000748629 [1,0,0,0,0,1|1,0,0]=3 1015 B14R1.4522 C=C(F)COC1CCCCC1C(C)C 34a_100011709184_100009893438 [1,0,0,0,0,1|1,0,1]=4 1016 B14R1.4522 C=C(F)COC1CCCCC1C(C)C 7a_100011709184_100000042424 [1,0,0,0,0,1|1,0,1]=4 1017 B14R1.4522 CC(=O)CCN1CCCCC1C(C)C 269982a_100000757267_100000053229 [1,0,0,0,0,1|2,0,0]=4 1018 B14R1.4522 CC(=O)OCN1CCCCC1C(C)C 269982a_100000757267_100000076356 [1,0,0,0,0,1|1,0,0]=3 1019 B14R1.4522 CC(=O)OCN1CCCCC1C(C)C 34a_100000757267_100009813279 [1,0,0,0,0,1|1,0,0]=3 1020 B14R1.4522 CC(=O)OCN1CCOC[C@@H]1C(C)C 269982a_100025712635_100000076356 [1,0,0,0,0,1|2,0,0]=4 1021 B14R1.4522 CC(=O)OCN1CCOC[C@@H]1C(C)C 34a_100025712635_100009813279 [1,0,0,0,0,1|2,0,0]=4 1022 B14R1.4522 CC(C)C1CCCCC1OCC(=O)N 34a_100011709184_100000187820 [1,0,0,0,0,1|1,0,0]=3 1023 B14R1.4522 CC(C)C1CCCCC1OCC(=O)N 7a_100011709184_100000187820 [1,0,0,0,0,1|1,0,0]=3 1024 B14R1.4522 CC(C)C1CCCCC1OCC(=O)[O-] 34a_100011709184_100020667443 [1,0,0,0,0,1|1,0,0]=3 1025 B14R1.4522 CC(C)C1CCCCC1OC[C@@H](C)O 34a_100011709184_100009817552 [1,0,0,0,0,1|0,0,2]=4 1026 B14R1.4522 CC(C)C1CCCCC1OC[C@@H](C)O 7a_100011709184_100009817552 [1,0,0,0,0,1|0,0,2]=4 1027 B14R1.4522 CC(C)C1CCCCC1OC[N+](=O)[O-] 34a_100011709184_100000761209 [1,0,0,0,0,1|2,0,0]=4 1028 B14R1.4522 CC(C)COC1CCCCC1C(C)C 34a_100011709184_100000210624 [1,0,0,0,0,1|1,0,1]=4 1029 B14R1.4522 CC(C)COC1CCCCC1C(C)C 7a_100011709184_100000210760 [1,0,0,0,0,1|1,0,1]=4 1030 B14R1.4522 CC(O)COC1CCCCC1C(C)C 34a_100011709184_100011218427 [1,0,0,0,0,1|0,0,2]=4 1031 B14R1.4522 CC(O)COC1CCCCC1C(C)C 7a_100011709184_100011218427 [1,0,0,0,0,1|0,0,2]=4 1032 B16R1.11451 C=C(Br)CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100009813270_200009893639 [0,0,0,0,0,2|1,0,1]=4 1033 B16R1.11451 C=C(C)CCN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100000730704 [0,0,0,0,0,2|2,0,0]=4 1034 B16R1.11451 C=C(C)CCN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_100000730704 [0,0,0,0,0,2|2,0,0]=4 1035 B16R1.11451 C=C(C)CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100000730704 [0,0,0,0,0,2|1,0,0]=3 1036 B16R1.11451 C=C(C)CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000764851_200009893639 [0,0,0,0,0,2|1,0,0]=3 1037 B16R1.11451 C=C(C)CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000730704 [0,0,0,0,0,2|1,0,0]=3 1038 B16R1.11451 C=C(C)CCS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100000730704_200009893639 [0,0,0,0,0,2|1,1,0]=4 1039 B16R1.11451 C=C(C)CCS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100000730704 [0,0,0,0,0,2|1,1,0]=4 1040 B16R1.11451 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCCC(=O)C)C 7a_100016197468_100000053229 [0,0,0,0,0,2|0,0,2]=4 1041 B16R1.11451 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCOC(=O)C)C 34a_100016197468_100009813279 [0,0,0,0,0,2|0,0,2]=4 1042 B16R1.11451 CC(=CCN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)C 2230a_100025773825_100000761012 [0,0,0,0,0,2|2,0,0]=4 1043 B16R1.11451 CC(=CCN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)C 34a_100025773825_100000761012 [0,0,0,0,0,2|2,0,0]=4 1044 B16R1.11451 CC(=CCN[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C 34a_100000718196_200009893639 [0,0,0,0,0,2|2,0,0]=4 1045 B16R1.11451 CC(=CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C 34a_100000753907_200009893639 [0,0,0,0,0,2|1,0,0]=3 1046 B16R1.11451 CC(=CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C 34a_100000763588_100000761012 [0,0,0,0,0,2|1,0,0]=3 1047 B16R1.11451 CC(=CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C 7a_100000763588_100000761012 [0,0,0,0,0,2|1,0,0]=3 1048 B16R1.11451 CC(=CCS[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C 62a_100000761012_200009893639 [0,0,0,0,0,2|1,1,0]=4 1049 B16R1.11451 CC(=CCS[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C 62a_200009893639_100000761012 [0,0,0,0,0,2|1,1,0]=4 1050 B16R1.11451 CC(=O)CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000759926_200009893639 [0,0,0,0,0,2|0,0,0]=2 1051 B16R1.11451 CC(=O)CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000053229 [0,0,0,0,0,2|0,0,0]=2 1052 B16R1.11451 CC(=O)CCS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100000053229_200009893639 [0,0,0,0,0,2|0,1,0]=3 1053 B16R1.11451 CC(=O)CCS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100000053229 [0,0,0,0,0,2|0,1,0]=3 1054 B16R1.11451 CC(=O)OCN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_100009813279 [0,0,0,0,0,2|0,0,0]=2 1055 B16R1.11451 CC(=O)OCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100009813279 [0,0,0,0,0,2|0,0,0]=2 1056 B16R1.11451 CC(=O)OCS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100000076356_200009893639 [0,0,0,0,0,2|0,0,0]=2 1057 B16R1.11451 CC(=O)OCS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100000076356 [0,0,0,0,0,2|0,0,0]=2 1058 B16R1.11451 CC(Br)CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100009893172_200009893639 [0,0,0,0,0,2|1,0,1]=4 1059 B16R1.11451 CC(C)CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000210254_200009893639 [0,0,0,0,0,2|1,0,1]=4 1060 B16R1.11451 CC(C)CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100000210312 [0,0,0,0,0,2|1,0,1]=4 1061 B16R1.11451 CC(C)CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000210626 [0,0,0,0,0,2|1,0,1]=4 1062 B16R1.11451 CC(C)OCN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100000709892 [0,0,0,0,0,2|1,0,1]=4 1063 B16R1.11451 CC(C)OCN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_100000709892 [0,0,0,0,0,2|1,0,1]=4 1064 B16R1.11451 CC(C)OCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100000709892 [0,0,0,0,0,2|1,0,1]=4 1065 B16R1.11451 CC(C)OCS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100000709892_200009893639 [0,0,0,0,0,2|1,0,1]=4 1066 B16R1.11451 CC(C)OCS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100000709892 [0,0,0,0,0,2|1,0,1]=4 1067 B16R1.11451 CC(C)[C@@H]1CC[C@H](CC1NCCC(=O)N)C 269862a_100000740010_100009815803 [0,0,0,0,0,2|2,0,0]=4 1068 B16R1.11451 CC(C)[C@@H]1CC[C@H](C[C@H]1NCCC(=O)N)C 2230a_100025773825_100000744528 [0,0,0,0,0,2|2,0,0]=4 1069 B16R1.11451 CC(C)[C@@H]1CC[C@H](C[C@H]1NCCC(=O)N)C 34a_100025773825_100000731001 [0,0,0,0,0,2|2,0,0]=4 1070 B16R1.11451 CC(C)[C@H]1CC[C@@H](C[C@@H]1NOCC(=O)O)C 269956a_100000106656_200009893639 [0,0,0,0,0,2|1,0,0]=3 1071 B16R1.11451 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCCC(=O)N)C 34a_100000757172_200009893639 [0,0,0,0,0,2|1,0,0]=3 1072 B16R1.11451 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCCC(=O)N)C 34a_100000763588_100000731001 [0,0,0,0,0,2|1,0,0]=3 1073 B16R1.11451 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCCC(=O)N)C 7a_100000763588_100000744528 [0,0,0,0,0,2|1,0,0]=3 1074 B16R1.11451 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCCN(C)C)C 7a_100000763588_100000755713 [0,0,0,0,0,2|2,0,0]=4 1075 B16R1.11451 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC[C@@H](C)N)C 34a_100000706166_200009893639 [0,0,0,0,0,2|1,0,1]=4 1076 B16R1.11451 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCCC(=O)N)C 62a_100000744528_200009893639 [0,0,0,0,0,2|1,1,0]=4 1077 B16R1.11451 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCCC(=O)N)C 62a_200009893639_100000744528 [0,0,0,0,0,2|1,1,0]=4 1078 B16R1.11451 CC(O)CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100012276601 [0,0,0,0,0,2|0,0,2]=4 1079 B16R1.11451 CC(O)CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100012276601 [0,0,0,0,0,2|0,0,2]=4