0 B8R0.14 CCCC(=O)C(C)(C)C CNP0077010.0 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.14 CCOC(=O)C(Br)(Br)Br CNP0194648.0 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.14 CCOC(=O)C(C)(C)Br CNP0075932.0 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [1,0,0,0,0,0|0,0,2]=3 4 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [1,0,0,0,0,0|3,0,0]=4 5 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [1,0,0,0,0,0|0,1,2]=4 7 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [1,0,0,0,0,0|1,1,1]=4 9 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [1,0,0,0,0,0|1,0,0]=2 10 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [1,0,0,0,0,0|1,1,0]=3 11 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [1,0,0,0,0,0|1,1,0]=3 12 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [1,0,0,0,0,0|0,1,1]=3 14 B7R0.5 CCOC(=O)C(Br)Br CNP0156394.0 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [1,0,0,0,0,0|0,0,0]=1 16 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [1,0,0,0,0,0|0,0,0]=1 17 B7R0.5 CCOC(=O)C(I)I CNP0017599.0 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [1,0,0,0,0,0|0,1,0]=2 19 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [1,0,0,0,0,0|1,1,0]=3 20 B7R0.5 CCOC(=O)[C@H](Br)I CNP0114584.1 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [1,0,0,0,0,0|0,1,0]=2 22 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [1,0,0,0,0,0|1,1,1]=4 23 B7R0.8 CCCCC(C)(C)C CNP0139885.0 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.8 CCCSC(C)(C)C CNP0177431.0 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.8 COCCC(C)(C)S CNP0210797.0 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.14 CC(C)(C)C(=O)C=O CNP0298052.0 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.14 COC(=O)C(Br)(Br)Br CNP0347228.0 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.14 COC(=O)C(C)(C)O CNP0269144.0 [1,0,0,0,0,0|0,1,0]=2 29 B9R0.19 CCOC(=O)C(C)(O)CC CNP0222840.0 [0,1,0,0,0,0|0,1,0]=2 30 B9R1.38 CC1=CC(=O)C(C1)(C)C CNP0143665.0 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.40 CC1(CCC=CC1=O)O CNP0369589.0 [0,0,0,1,0,0|1,1,1]=4 32 B9R1.74 CCOC(=O)C1(CC1)N CNP0409533.0 [0,0,0,1,0,0|1,0,0]=2 33 B9R0.44 CC=CC(=O)OC(C)(C)C CNP0118436.0 [0,0,0,0,0,1|2,0,1]=4 34 B9R0.44 CCOC(=O)CC(C)(C)O CNP0234032.0 [0,0,0,0,0,1|0,1,0]=2 35 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.1 C=CC(=O)OCC CNP0197495.0 [2,0,0,0,0,0|0,0,2]=4 37 B6R0.1 CC=CC(=O)CC CNP0127812.0 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.1 CCC(=O)CSC CNP0170567.0 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.1 CCCC(=O)CC CNP0248158.0 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.1 CCCC(=O)CO CNP0084314.0 [2,0,0,0,0,0|1,1,0]=4 41 B6R0.1 CCCC(=O)OC CNP0159910.0 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.1 CCCC(=O)SC CNP0084452.0 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.1 CCNC(=O)CC CNP0586892.0 [2,0,0,0,0,0|1,0,0]=3 44 B6R0.1 CCNC(=O)OC CNP0585352.0 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.1 CCOC(=O)C=O CNP0218484.0 [2,0,0,0,0,0|0,1,1]=4 46 B6R0.1 CCOC(=O)CC CNP0169171.0 [2,0,0,0,0,0|0,0,0]=2 47 B6R0.1 CCOC(=O)CI CNP0158474.0 [2,0,0,0,0,0|1,0,0]=3 48 B6R0.1 CCOC(=O)NC CNP0565390.0 [2,0,0,0,0,0|1,0,0]=3 49 B6R0.1 CCOC(C)CC CNP0086282.0 [2,0,0,0,0,0|1,0,1]=4 50 B6R0.1 CCSC(=O)CC CNP0265303.0 [2,0,0,0,0,0|0,1,0]=3 51 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [2,0,0,0,0,0|0,0,2]=4 52 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [2,0,0,0,0,0|0,0,2]=4 53 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.3 CC(C)C(=O)C#N CNP0344819.0 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [2,0,0,0,0,0|1,1,0]=4 56 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [2,0,0,0,0,0|1,0,1]=4 57 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [2,0,0,0,0,0|0,1,1]=4 58 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [2,0,0,0,0,0|0,0,0]=2 59 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [2,0,0,0,0,0|0,0,0]=2 60 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [2,0,0,0,0,0|1,0,0]=3 61 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [2,0,0,0,0,0|1,0,0]=3 62 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [2,0,0,0,0,0|0,1,0]=3 63 B6R0.3 CCC(O)C(C)C CNP0265736.0 [2,0,0,0,0,0|0,0,2]=4 64 B6R0.3 CCC(S)C(C)C CNP0611989.0 [2,0,0,0,0,0|0,1,1]=4 65 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.3 CNC(=O)N(C)C CNP0499080.0 [2,0,0,0,0,0|2,0,0]=4 67 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [2,0,0,0,0,0|0,1,1]=4 68 B6R0.3 COC(=O)C(Br)Br CNP0192713.0 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.3 COC(=O)C(C)C CNP0354997.0 [2,0,0,0,0,0|0,0,0]=2 70 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [2,0,0,0,0,0|1,0,0]=3 71 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [2,0,0,0,0,0|0,1,0]=3 72 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [2,0,0,0,0,0|1,1,0]=4 73 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [2,0,0,0,0,0|1,0,0]=3 74 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [2,0,0,0,0,0|0,1,0]=3 75 B6R0.3 COC(=S)C(C)C CNP0507266.0 [2,0,0,0,0,0|0,1,0]=3 76 B6R0.4 CCCCC(C)C CNP0312749.0 [2,0,0,0,0,0|1,0,1]=4 77 B6R0.4 CCCSC(C)C CNP0228244.0 [2,0,0,0,0,0|2,0,0]=4 78 B6R0.4 CCCSC(C)S CNP0609747.0 [2,0,0,0,0,0|2,0,0]=4 79 B6R0.4 CCNCC(C)C CNP0165310.0 [2,0,0,0,0,0|1,0,1]=4 80 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [2,0,0,0,0,0|0,1,1]=4 81 B6R0.4 CCSCC(C)C CNP0208462.0 [2,0,0,0,0,0|0,1,1]=4 82 B6R0.4 CCSSC(C)C CNP0003135.0 [2,0,0,0,0,0|1,1,0]=4 83 B6R0.5 CC(C)(S)CCO CNP0215542.0 [2,0,0,0,0,0|1,0,1]=4 84 B6R0.5 CC=CC(C)(C)C CNP0120515.0 [2,0,0,0,0,0|1,0,1]=4 85 B6R0.5 CCCC(C)(C)C CNP0308764.0 [2,0,0,0,0,0|1,0,1]=4 86 B6R0.5 CCCC(C)(C)O CNP0258393.0 [2,0,0,0,0,0|0,1,1]=4 87 B6R0.5 CCOC(C)(C)C CNP0285210.0 [2,0,0,0,0,0|1,0,0]=3 88 B6R0.5 CCSC(C)(C)C CNP0186557.0 [2,0,0,0,0,0|1,1,0]=4 89 B6R0.7 CC(=O)C(C)(C)Br CNP0058151.0 [2,0,0,0,0,0|1,0,0]=3 90 B6R0.7 CC(=O)C(C)(C)O CNP0323322.0 [2,0,0,0,0,0|0,1,0]=3 91 B6R0.7 CC(C)(C)C(=O)Cl CNP0610070.0 [2,0,0,0,0,0|2,0,0]=4 92 B6R0.7 CC(C)(C)C(=O)O CNP0343251.0 [2,0,0,0,0,0|1,0,0]=3 93 B6R0.7 CC(C)(N)C(=O)O CNP0299823.0 [2,0,0,0,0,0|1,0,0]=3 94 B6R0.7 CC(C)(O)C(=O)O CNP0230065.0 [2,0,0,0,0,0|0,1,0]=3 95 B8R0.2 CCC(C)C(=O)C(C)C CNP0480087.0 [1,1,0,0,0,0|1,0,0]=3 96 B8R0.2 COC(=O)C(=O)C(C)C CNP0337448.0 [1,1,0,0,0,0|2,0,0]=4 97 B8R0.3 C/C=C/C(=O)[C@@H](C)CC CNP0293827.1 [1,1,0,0,0,0|1,0,1]=4 98 B8R0.3 C/C=C/C(=O)[C@H](C)CC CNP0293827.2 [1,1,0,0,0,0|1,0,1]=4 99 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [1,1,0,0,0,0|0,0,1]=3 100 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [1,1,0,0,0,0|1,0,0]=3 101 B8R0.3 CCOC(=O)C(=NO)C CNP0380826.0 [1,1,0,0,0,0|0,1,1]=4 102 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [1,1,0,0,0,0|0,1,1]=4 103 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [1,1,0,0,0,0|0,0,1]=3 104 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [1,1,0,0,0,0|0,0,0]=2 105 B8R0.3 CCOC(=O)[C@@H](N)CO CNP0522179.2 [1,1,0,0,0,0|1,0,0]=3 106 B8R0.3 CCOC(=O)[C@@H](N)CS CNP0398806.2 [1,1,0,0,0,0|1,0,0]=3 107 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [1,1,0,0,0,0|0,0,0]=2 108 B8R0.3 CCOC(=O)[C@H](N)CO CNP0522179.1 [1,1,0,0,0,0|1,0,0]=3 109 B8R0.3 CCOC(=O)[C@H](O)C#N CNP0342133.1 [1,1,0,0,0,0|0,1,1]=4 110 B8R0.8 C=C(C)C(=O)OCCO CNP0083392.0 [1,1,0,0,0,0|0,0,2]=4 111 B8R0.8 C=CCOC(=O)C(C)C CNP0230634.0 [1,1,0,0,0,0|0,0,1]=3 112 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [1,1,0,0,0,0|1,0,0]=3 113 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [1,1,0,0,0,0|1,1,0]=4 114 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [1,1,0,0,0,0|1,1,0]=4 115 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [1,1,0,0,0,0|0,0,0]=2 116 B8R0.8 CN(C)C(=O)CCCO CNP0335137.0 [1,1,0,0,0,0|2,0,0]=4 117 B8R0.15 CCNC(C=O)C(C)C CNP0584260.0 [1,1,0,0,0,0|1,0,1]=4 118 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [1,1,0,0,0,0|1,0,1]=4 119 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [1,1,0,0,0,0|1,1,0]=4 120 B8R0.23 CC(C)OC(=O)C(C)C CNP0251914.0 [1,1,0,0,0,0|0,0,0]=2 121 B8R0.21 CCCCCC(C)(C)S CNP0505610.0 [1,1,0,0,0,0|1,0,1]=4 122 B8R0.29 C[C@@H](O)/C=C/C(C)(C)O CNP0384905.1 [1,1,0,0,0,0|1,1,0]=4 123 B8R0.13 CC[C@@](C)(N)C(=O)OC CNP0272787.1 [1,1,0,0,0,0|1,0,0]=3 124 B8R0.13 CC[C@@](C)(O)C(=O)OC CNP0227433.1 [1,1,0,0,0,0|0,1,0]=3 125 B8R0.13 CNC(C)(C)C(=O)OC CNP0573979.0 [1,1,0,0,0,0|1,0,0]=3 126 B8R0.13 COC(=O)C(C)(C)OC CNP0270114.0 [1,1,0,0,0,0|0,1,0]=3 127 B10R0.7 CCOC(=O)C[C@](C)(O)CC CNP0284617.1 [0,1,0,0,0,1|0,1,0]=3 128 B10R0.28 CC(C)(C)OC(=O)NCCN CNP0061154.0 [0,1,0,0,0,1|2,0,0]=4 129 B10R0.36 CCOC(=O)C(C)(C)C(C)O CNP0562929.0 [0,2,0,0,0,0|0,1,0]=3 130 B8R1.5 C=C1CCCCC1C CNP0595985.0 [1,0,0,1,0,0|2,0,0]=4 131 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.5 CC1CCCCC1=O CNP0003363.0 [1,0,0,1,0,0|1,0,0]=3 133 B8R1.5 CC1CCCOC1=O CNP0340524.0 [1,0,0,1,0,0|0,0,0]=2 134 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [1,0,0,1,0,0|2,0,0]=4 135 B8R1.5 O=C1CCCCC1O CNP0610127.0 [1,0,0,1,0,0|1,1,0]=4 136 B8R1.7 CC(C)C1OCCO1 CNP0538758.0 [1,0,0,1,0,0|0,0,2]=4 137 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [1,0,0,1,0,0|0,0,2]=4 138 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [1,0,0,1,0,0|0,0,2]=4 139 B8R1.18 CC1=N[C@H](S[C@@H]1C)C CNP0218236.1 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [1,0,0,1,0,0|1,0,0]=3 142 B8R1.18 CC1CN(NC1=O)C CNP0529089.0 [1,0,0,1,0,0|2,0,0]=4 143 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [1,0,0,1,0,0|0,0,0]=2 144 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [1,0,0,1,0,0|0,1,0]=3 145 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [1,0,0,1,0,0|1,0,0]=3 146 B8R1.72 C[C@@]1(C=CCCC1)O CNP0241347.2 [1,0,0,1,0,0|1,1,0]=4 147 B8R1.72 C[C@]1(C=CCCC1)O CNP0241347.1 [1,0,0,1,0,0|1,1,0]=4 148 B8R1.39 COC(=O)C1(CC1)N CNP0262298.0 [1,0,0,1,0,0|1,0,0]=3 149 B10R1.329 C[C@@H]1CC(=O)CC(C1)(C)C CNP0419285.1 [0,0,0,1,0,1|2,0,0]=4 150 B10R1.329 C[C@@]1(CC(=O)O[C@H](C1)O)O CNP0293170.1 [0,0,0,1,0,1|1,1,0]=4 151 B10R1.36 C=C1OB(OC1(C)C)CC CNP0146746.0 [0,1,0,1,0,0|1,1,0]=4 152 B10R1.271 CC1CC(C(=O)C1=O)(C)C CNP0178824.0 [0,1,0,1,0,0|2,0,0]=4 153 B10R1.301 C[C@@H]1CCCC(C1=O)(C)C CNP0229398.1 [0,1,0,1,0,0|2,0,0]=4 154 B10R1.301 C[C@H]1CCCC(C1=O)(C)C CNP0229398.2 [0,1,0,1,0,0|2,0,0]=4 155 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [1,0,0,0,0,1|1,0,1]=4 156 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [1,0,0,0,0,1|1,0,0]=3 157 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [1,0,0,0,0,1|1,0,0]=3 158 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [1,0,0,0,0,1|0,0,1]=3 159 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [1,0,0,0,0,1|0,1,1]=4 160 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [1,0,0,0,0,1|0,0,0]=2 161 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [1,0,0,0,0,1|0,0,0]=2 162 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [1,0,0,0,0,1|1,0,0]=3 163 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [1,0,0,0,0,1|0,1,0]=3 164 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [1,0,0,0,0,1|0,1,0]=3 165 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [1,0,0,0,0,1|1,0,0]=3 166 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [1,0,0,0,0,1|1,0,0]=3 167 B8R0.5 CCSC(=S)OC(C)C CNP0320559.0 [1,0,0,0,0,1|0,2,0]=4