0 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.5 CCOC(=O)C=C(Br)Br CNP0238604.0 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [0,0,0,0,0,0|1,0,1]=2 15 B8R0.5 CCOC(=O)C=C(Cl)Cl CNP0166336.0 [0,0,0,0,0,0|2,0,1]=3 16 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,0,0,0,0,0|0,0,0]=0 17 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [0,0,0,0,0,0|1,0,0]=1 18 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,0,0,0,0,0|1,0,0]=1 19 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [0,0,0,0,0,0|1,0,1]=2 20 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [0,0,0,0,0,0|0,1,1]=2 21 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [0,0,0,0,0,0|1,0,1]=2 22 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [0,0,0,0,0,0|0,0,2]=2 23 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [0,0,0,0,0,0|0,0,2]=2 24 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [0,0,0,0,0,0|2,0,0]=2 25 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [0,0,0,0,0,0|2,0,0]=2 26 B8R0.5 CCOC(=O)NC(=O)N CNP0241486.0 [0,0,0,0,0,0|2,0,0]=2 27 B8R0.5 COO[C@@H](O)CC(=O)O CNP0148715.1 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.2 CC(=O)CC(=NO)C CNP0221601.0 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [1,0,0,0,0,0|1,0,1]=3 32 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [1,0,0,0,0,0|1,0,1]=3 34 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [1,0,0,0,0,0|1,0,0]=2 35 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [1,0,0,0,0,0|1,0,1]=3 36 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [1,0,0,0,0,0|1,0,0]=2 37 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [1,0,0,0,0,0|1,0,1]=3 39 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [1,0,0,0,0,0|1,0,2]=4 46 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [1,0,0,0,0,0|1,0,2]=4 47 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.2 CNC(=O)NC(=O)O CNP0113940.0 [1,0,0,0,0,0|3,0,0]=4 49 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [1,0,0,0,0,0|1,0,1]=3 50 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [1,0,0,0,0,0|1,0,1]=3 51 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [1,0,0,0,0,0|0,0,0]=1 52 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [1,0,0,0,0,0|1,0,1]=3 54 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [1,0,0,0,0,0|0,1,1]=3 55 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [1,0,0,0,0,0|2,0,0]=3 56 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [1,0,0,0,0,0|1,0,1]=3 57 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [1,0,0,0,0,0|0,0,2]=3 58 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [1,0,0,0,0,0|2,0,0]=3 59 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [1,0,0,0,0,0|2,0,0]=3 60 B7R0.2 COC(=O)NC(=O)N CNP0291245.0 [1,0,0,0,0,0|2,0,0]=3 61 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [1,0,0,0,0,0|1,1,1]=4 62 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [1,0,0,0,0,0|2,0,0]=3 63 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [1,0,0,0,0,0|1,0,2]=4 64 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [1,0,0,0,0,0|1,0,2]=4 65 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [1,0,0,0,0,0|1,0,2]=4 66 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [1,0,0,0,0,0|1,0,2]=4 67 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,0,0,0,0,0|1,0,0]=2 68 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [1,0,0,0,0,0|2,0,0]=3 69 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [1,0,0,0,0,0|1,0,1]=3 70 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,0,0,0,0,0|2,0,1]=4 71 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,0,0,0,0,0|1,0,1]=3 72 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,0,0,0,0,0|2,0,1]=4 73 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,0,0,0,0,0|2,0,1]=4 74 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,0,0,0,0,0|2,0,1]=4 76 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,0,0,0,0,0|3,0,0]=4 77 B7R0.4 CCOCC=C(C)C CNP0002719.0 [1,0,0,0,0,0|1,0,2]=4 78 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,0,0,0,0,0|0,0,1]=2 79 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,0,0,0,0,0|1,0,1]=3 80 B7R0.4 CCOCCC(C)C CNP0032749.0 [1,0,0,0,0,0|1,0,2]=4 81 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,0,0,0,0,0|2,0,1]=4 82 B7R0.7 C=C(CCC)CCC CNP0515689.0 [1,0,0,0,0,0|2,0,1]=4 83 B7R0.7 C=C(OCC)OCC CNP0510072.0 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [1,0,0,0,0,0|2,0,1]=4 85 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [1,0,0,0,0,0|0,0,1]=2 86 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [1,0,0,0,0,0|1,0,1]=3 87 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [1,0,0,0,0,0|1,0,1]=3 88 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [1,0,0,0,0,0|0,0,1]=2 89 B7R0.7 CCC=C(C)CCC CNP0345457.0 [1,0,0,0,0,0|2,0,1]=4 90 B7R0.7 CCCC(=O)CCC CNP0310318.0 [1,0,0,0,0,0|1,0,1]=3 91 B7R0.7 CCCC(=O)OCC CNP0232050.0 [1,0,0,0,0,0|0,0,1]=2 92 B7R0.7 CCCC(=S)OCC CNP0612025.0 [1,0,0,0,0,0|0,1,1]=3 93 B7R0.7 CCCC(C)CC=O CNP0405888.0 [1,0,0,0,0,0|2,0,1]=4 94 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [1,0,0,0,0,0|1,0,2]=4 95 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [1,0,0,0,0,0|1,0,1]=3 96 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [1,0,0,0,0,0|1,0,1]=3 97 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [1,0,0,0,0,0|1,0,1]=3 98 B7R0.7 CCOC(=O)CCS CNP0347470.0 [1,0,0,0,0,0|0,1,1]=3 99 B7R0.7 CCOC(=O)CNC CNP0575591.0 [1,0,0,0,0,0|1,0,0]=2 100 B7R0.7 CCOC(=O)CSC CNP0330528.0 [1,0,0,0,0,0|1,0,0]=2 101 B7R0.7 CCOC(=O)OCC CNP0167765.0 [1,0,0,0,0,0|1,0,1]=3 102 B7R0.7 CCOP(=O)OCC CNP0575132.0 [1,0,0,0,0,0|2,0,1]=4 103 B9R0.4 C=CCOC(=O)CC(C)C CNP0131911.0 [0,1,0,0,0,0|1,0,2]=4 104 B9R0.4 CCCCC(=O)C=C(C)C CNP0611962.0 [0,1,0,0,0,0|2,0,1]=4 105 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [0,1,0,0,0,0|1,0,0]=2 106 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [0,1,0,0,0,0|1,0,0]=2 107 B9R0.4 CCCOC(=O)CC(C)C CNP0105828.0 [0,1,0,0,0,0|1,0,1]=3 108 B9R0.4 CCCOC(=O)NC(=O)N CNP0233110.0 [0,1,0,0,0,0|2,0,0]=3 109 B9R0.6 C=C(C(=O)OCC)[C@@H](C)O CNP0184419.1 [0,1,0,0,0,0|0,0,3]=4 110 B9R0.6 C=C(CCC)[C@H](N)C(=O)O CNP0264403.1 [0,1,0,0,0,0|3,0,0]=4 111 B9R0.6 CCOC(=O)C(=O)C(C)C CNP0303947.0 [0,1,0,0,0,0|1,0,2]=4 112 B9R0.6 CCOC(=O)C(=O)N(C)C CNP0355375.0 [0,1,0,0,0,0|2,0,1]=4 113 B9R0.6 CCOC(=O)C(C)C(=O)C CNP0103680.0 [0,1,0,0,0,0|0,0,0]=1 114 B9R0.6 CCOC(=O)C(C)C(C)S CNP0164740.0 [0,1,0,0,0,0|0,1,1]=3 115 B9R0.6 CCOC(=O)[C@@H](N)C(C)C CNP0535653.1 [0,1,0,0,0,0|1,0,1]=3 116 B9R0.6 CCOC(=O)[C@H](O)C(C)C CNP0170066.1 [0,1,0,0,0,0|1,0,1]=3 117 B9R0.23 CCC(=O)C(=O)CC(C)C CNP0169073.0 [0,1,0,0,0,0|2,0,1]=4 118 B9R0.34 CCC[C@@H](O)CC(=O)OC CNP0044478.2 [0,1,0,0,0,0|1,0,2]=4 119 B9R0.34 CCC[C@H](O)CC(=O)OC CNP0044478.1 [0,1,0,0,0,0|1,0,2]=4 120 B9R0.34 CCOC(=O)CC(C)SC CNP0019037.0 [0,1,0,0,0,0|0,1,1]=3 121 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [0,1,0,0,0,0|0,0,2]=3 122 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [0,1,0,0,0,0|1,0,1]=3 123 B9R0.44 CCOC(=O)CC(C)(C)O CNP0234032.0 [0,1,0,0,0,0|0,0,2]=3 124 B9R0.44 CCOC(=O)CS(=O)(=O)Cl CNP0190677.0 [0,1,0,0,0,0|2,0,0]=3 125 B9R0.53 CC(=CC(=O)OC(C)C)C CNP0228790.0 [0,1,0,0,0,0|1,0,1]=3 126 B9R0.53 CC(=CC(=O)SC(C)C)C CNP0219971.0 [0,1,0,0,0,0|1,1,1]=4 127 B9R0.53 CC(=O)C=C(C)OC(=O)C CNP0367502.0 [0,1,0,0,0,0|1,0,2]=4 128 B9R0.53 CC(=O)C[C@@H](C)CC(C)C CNP0357030.1 [0,1,0,0,0,0|2,0,1]=4 129 B9R0.53 CC(=O)C[C@@H](C)OC(=O)C CNP0303654.1 [0,1,0,0,0,0|1,0,2]=4 130 B9R0.53 CC(C)CC(=O)CC(C)C CNP0084478.0 [0,1,0,0,0,0|2,0,1]=4 131 B9R0.53 CC(C)CC(=O)OC(C)C CNP0311912.0 [0,1,0,0,0,0|1,0,1]=3 132 B9R0.53 CC(C)CC(=O)SC(C)C CNP0159406.0 [0,1,0,0,0,0|1,1,1]=4 133 B9R0.53 C[C@H](N)CC(=O)CC(=O)O CNP0136260.1 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,0,0,1,0,0|2,0,1]=4 135 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [0,0,0,1,0,0|2,0,1]=4 136 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [0,0,0,1,0,0|1,0,2]=4 137 B9R1.13 CC(=O)CN1CCCC1 CNP0397826.0 [0,0,0,1,0,0|3,0,0]=4 138 B9R1.13 CC(=O)C[C@@H]1CCCN1 CNP0147247.2 [0,0,0,1,0,0|2,0,1]=4 139 B9R1.13 CC(=O)C[C@H]1CCCN1 CNP0147247.1 [0,0,0,1,0,0|2,0,1]=4 140 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [0,0,0,1,0,0|2,0,1]=4 141 B9R1.34 CC1=CC(=O)OC(=C1)C CNP0079979.0 [0,0,0,1,0,0|1,0,2]=4 142 B9R1.34 CC1OC(=O)CC(=O)O1 CNP0094345.0 [0,0,0,1,0,0|1,0,0]=2 143 B9R1.34 C[C@@H]1CC(=CC(=O)O1)O CNP0195692.1 [0,0,0,1,0,0|0,0,2]=3 144 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [0,0,0,1,0,0|0,0,2]=3 145 B9R1.34 C[C@H]1CC(=CC(=O)O1)O CNP0195692.2 [0,0,0,1,0,0|0,0,2]=3 146 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [0,0,0,1,0,0|0,0,2]=3 147 B9R1.41 CC(=O)C1=C(CCC1)C CNP0084970.0 [0,0,0,1,0,0|2,0,1]=4 148 B9R1.41 CC(=O)C1CCC=C1C CNP0610486.0 [0,0,0,1,0,0|2,0,0]=3 149 B9R1.41 CC(=O)C1CCOC1=O CNP0411848.0 [0,0,0,1,0,0|0,0,0]=1 150 B9R1.41 CC(C)[C@@H]1CCCC1=O CNP0314072.2 [0,0,0,1,0,0|2,0,1]=4 151 B9R1.41 CC(C)[C@H]1CCCC1=O CNP0314072.1 [0,0,0,1,0,0|2,0,1]=4 152 B9R1.41 NC(=O)N1CCCC1=O CNP0193817.0 [0,0,0,1,0,0|3,0,0]=4 153 B9R1.41 O=C(O)N1CCCC1=O CNP0088387.0 [0,0,0,1,0,0|3,0,0]=4 154 B9R1.48 CC1=CC(=O)NCCC1 CNP0425910.0 [0,0,0,1,0,0|2,0,1]=4 155 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,0,0,1,0,0|2,0,1]=4 156 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [0,0,0,1,0,0|1,0,0]=2 157 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [0,0,0,1,0,0|2,0,0]=3 158 B9R1.48 O=C1CCCNC(=O)N1 CNP0110595.0 [0,0,0,1,0,0|2,0,0]=3 159 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [0,0,0,1,0,0|0,0,2]=3 160 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [0,0,0,1,0,0|0,0,2]=3 161 B9R1.183 CCOC(=O)C1OC1C CNP0611901.0 [0,0,0,1,0,0|0,0,2]=3 162 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [0,0,0,0,1,0|1,0,0]=2 163 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [0,0,0,0,1,0|1,0,1]=3 164 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [0,0,0,0,1,0|0,0,2]=3 165 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,0,0,0,1,0|2,0,0]=3 166 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [0,0,0,0,1,0|2,0,1]=4 167 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,0,0,0,1,0|3,0,0]=4 168 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,0,0,0,1,0|1,0,0]=2 169 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,0,0,0,1,0|2,0,0]=3 170 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,0,0,0,1,0|2,0,0]=3 171 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,0,0,0,1,0|2,0,1]=4 172 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,0,0,0,1,0|1,0,2]=4 173 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,0,0,0,1,0|1,0,2]=4 174 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,0,0,0,1,0|2,0,1]=4 175 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [0,0,0,0,1,0|1,0,2]=4 176 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,0,0,0,1,0|0,0,0]=1 177 B7R0.5 CCOC(=O)C(Br)Br CNP0156394.0 [0,0,0,0,1,0|2,0,1]=4 178 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,0,0,0,1,0|1,0,1]=3 179 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [0,0,0,0,1,0|0,1,1]=3 180 B7R0.5 CCOC(=O)C(I)I CNP0017599.0 [0,0,0,0,1,0|2,0,1]=4 181 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,0,0,0,1,0|0,0,2]=3 182 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [0,0,0,0,1,0|1,0,2]=4 183 B7R0.5 CCOC(=O)[C@H](Br)I CNP0114584.1 [0,0,0,0,1,0|2,0,1]=4 184 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,0,0,0,1,0|0,0,2]=3 185 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,0,0,0,1,0|1,0,1]=3 186 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,0,0,0,1,0|3,0,0]=4 187 B9R0.48 C=C(C)COC(=O)CCC CNP0002915.0 [0,0,0,0,0,1|2,0,0]=3 188 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,0,0,0,0,1|1,0,0]=2 189 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [0,0,0,0,0,1|1,0,0]=2 190 B9R0.48 CCCC(=O)NCC(=O)O CNP0083880.0 [0,0,0,0,0,1|2,0,0]=3 191 B9R0.48 CCCC(=O)NCC(C)C CNP0405550.0 [0,0,0,0,0,1|2,0,1]=4 192 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [0,0,0,0,0,1|2,0,1]=4 193 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [0,0,0,0,0,1|2,0,1]=4 194 B9R0.48 CCOC(=O)C=CC(=O)O CNP0272269.0 [0,0,0,0,0,1|1,0,1]=3 195 B9R0.48 CCOC(=O)C=CC(C)C CNP0167612.0 [0,0,0,0,0,1|1,0,2]=4 196 B9R0.48 CCOC(=O)C=CN(C)C CNP0336666.0 [0,0,0,0,0,1|2,0,1]=4 197 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [0,0,0,0,0,1|0,0,0]=1 198 B9R0.48 CCOC(=O)CCC(=O)N CNP0277152.0 [0,0,0,0,0,1|1,0,0]=2 199 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [0,0,0,0,0,1|1,0,0]=2 200 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,0,0,0,0,1|1,0,1]=3 201 B9R0.48 CCOC(=O)CC[N+](=O)[O-] CNP0530407.0 [0,0,0,0,0,1|2,0,0]=3 202 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [0,0,0,0,0,1|1,0,1]=3 203 B9R0.48 CCSC(=O)CNC(=O)C CNP0507251.0 [0,0,0,0,0,1|0,1,0]=2 204 B9R0.48 COCC(=O)NCC(=O)O CNP0277433.0 [0,0,0,0,0,1|3,0,0]=4 205 B9R0.48 NCNC(=O)CCC(=O)O CNP0599954.0 [0,0,0,0,0,1|3,0,0]=4 206 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [2,0,0,0,0,0|2,0,0]=4 207 B6R0.1 C=CC(=O)CCC CNP0162905.0 [2,0,0,0,0,0|1,0,1]=4 208 B6R0.1 C=CC(=O)OCC CNP0197495.0 [2,0,0,0,0,0|0,0,1]=3 209 B6R0.1 C=CCC(=O)CC CNP0580605.0 [2,0,0,0,0,0|0,0,1]=3 210 B6R0.1 CC=CC(=O)CC CNP0127812.0 [2,0,0,0,0,0|0,0,1]=3 211 B6R0.1 CC=CC(=O)OC CNP0003452.0 [2,0,0,0,0,0|0,0,1]=3 212 B6R0.1 CCC(=O)CSC CNP0170567.0 [2,0,0,0,0,0|1,0,0]=3 213 B6R0.1 CCC(C)CC=O CNP0531748.0 [2,0,0,0,0,0|1,0,1]=4 214 B6R0.1 CCC=C(C)C=O CNP0245615.0 [2,0,0,0,0,0|2,0,0]=4 215 B6R0.1 CCCC(=O)C=O CNP0111121.0 [2,0,0,0,0,0|1,0,0]=3 216 B6R0.1 CCCC(=O)CC CNP0248158.0 [2,0,0,0,0,0|0,0,1]=3 217 B6R0.1 CCCC(=O)CO CNP0084314.0 [2,0,0,0,0,0|1,0,1]=4 218 B6R0.1 CCCC(=O)OC CNP0159910.0 [2,0,0,0,0,0|0,0,1]=3 219 B6R0.1 CCCC(=O)SC CNP0084452.0 [2,0,0,0,0,0|0,1,1]=4 220 B6R0.1 CCNC(=O)CC CNP0586892.0 [2,0,0,0,0,0|1,0,0]=3 221 B6R0.1 CCNC(=O)OC CNP0585352.0 [2,0,0,0,0,0|1,0,1]=4 222 B6R0.1 CCOC(=O)C=O CNP0218484.0 [2,0,0,0,0,0|0,0,0]=2 223 B6R0.1 CCOC(=O)CC CNP0169171.0 [2,0,0,0,0,0|0,0,0]=2 224 B6R0.1 CCOC(=O)CI CNP0158474.0 [2,0,0,0,0,0|1,0,0]=3 225 B6R0.1 CCOC(=O)NC CNP0565390.0 [2,0,0,0,0,0|1,0,0]=3 226 B6R0.1 CCOC(C)CC CNP0086282.0 [2,0,0,0,0,0|1,0,1]=4 227 B6R0.1 CCSC(=O)CC CNP0265303.0 [2,0,0,0,0,0|0,1,0]=3 228 B6R0.1 CNCC(=O)OC CNP0311286.0 [2,0,0,0,0,0|1,0,0]=3 229 B6R0.1 COC(=O)C=CBr CNP0321764.0 [2,0,0,0,0,0|1,0,1]=4 230 B6R0.1 COC(=O)C=CI CNP0190700.0 [2,0,0,0,0,0|1,0,1]=4 231 B6R0.1 COC(=O)CC=O CNP0187576.0 [2,0,0,0,0,0|0,0,0]=2 232 B6R0.1 COC(=O)CSC CNP0189712.0 [2,0,0,0,0,0|1,0,0]=3 233 B6R0.1 COCC(=O)OC CNP0202591.0 [2,0,0,0,0,0|1,0,0]=3 234 B6R0.1 O=CC(=O)CCO CNP0294743.0 [2,0,0,0,0,0|2,0,0]=4 235 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [2,0,0,0,0,0|1,0,0]=3 236 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [2,0,0,0,0,0|1,0,1]=4 237 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [2,0,0,0,0,0|0,0,2]=4 238 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [2,0,0,0,0,0|1,0,1]=4 239 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [2,0,0,0,0,0|0,0,2]=4 240 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [2,0,0,0,0,0|1,0,1]=4 241 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [2,0,0,0,0,0|1,0,0]=3 242 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [2,0,0,0,0,0|1,0,1]=4 243 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [2,0,0,0,0,0|0,0,2]=4 244 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [2,0,0,0,0,0|0,0,0]=2 245 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [2,0,0,0,0,0|1,0,0]=3 246 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [2,0,0,0,0,0|0,0,0]=2 247 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [2,0,0,0,0,0|1,0,1]=4 248 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [2,0,0,0,0,0|0,0,2]=4 249 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [2,0,0,0,0,0|0,0,2]=4 250 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [2,0,0,0,0,0|1,0,0]=3 251 B6R0.2 CC(=O)NC(=O)N CNP0114939.0 [2,0,0,0,0,0|2,0,0]=4 252 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [2,0,0,0,0,0|1,0,0]=3 253 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [2,0,0,0,0,0|1,0,0]=3 254 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [2,0,0,0,0,0|2,0,0]=4 255 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [2,0,0,0,0,0|1,0,1]=4 256 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [2,0,0,0,0,0|0,0,2]=4 257 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [2,0,0,0,0,0|1,0,1]=4 258 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [2,0,0,0,0,0|0,0,2]=4 259 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [2,0,0,0,0,0|1,0,1]=4 260 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [2,0,0,0,0,0|1,0,1]=4 261 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [2,0,0,0,0,0|2,0,0]=4 262 B6R0.2 NC(=O)CC(=O)N CNP0249745.0 [2,0,0,0,0,0|2,0,0]=4 263 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [2,0,0,0,0,0|1,0,0]=3 264 B6R0.2 NC(=O)NC(=O)O CNP0125227.0 [2,0,0,0,0,0|2,0,0]=4 265 B6R0.2 O=C(Cl)CC(=O)Cl CNP0314978.0 [2,0,0,0,0,0|2,0,0]=4 266 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [2,0,0,0,0,0|1,0,0]=3 267 B6R0.4 CC=CCC(=O)O CNP0610144.0 [2,0,0,0,0,0|1,0,1]=4 268 B6R0.4 CCC=CC(=O)C CNP0129352.0 [2,0,0,0,0,0|0,0,1]=3 269 B6R0.4 CCC=CC(=O)O CNP0185292.0 [2,0,0,0,0,0|1,0,1]=4 270 B6R0.4 CCCC=C(C)O CNP0268446.0 [2,0,0,0,0,0|1,0,1]=4 271 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|0,0,1]=3 272 B6R0.4 CCCCC(=O)N CNP0248834.0 [2,0,0,0,0,0|1,0,1]=4 273 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|1,0,1]=4 274 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|1,0,1]=4 275 B6R0.4 CCCNC(=O)C CNP0115400.0 [2,0,0,0,0,0|1,0,1]=4 276 B6R0.4 CCCOC(=O)C CNP0274142.0 [2,0,0,0,0,0|1,0,1]=4 277 B6R0.4 CCCSC(=O)C CNP0076500.0 [2,0,0,0,0,0|1,0,1]=4 278 B6R0.4 CCNCC(=O)O CNP0076362.0 [2,0,0,0,0,0|2,0,0]=4 279 B6R0.4 CCOCC(=O)N CNP0329352.0 [2,0,0,0,0,0|1,0,0]=3 280 B6R0.4 CCOCC(=O)O CNP0229583.0 [2,0,0,0,0,0|1,0,0]=3 281 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [2,0,0,0,0,0|0,0,2]=4 282 B6R0.4 CSCCC(=O)C CNP0353152.0 [2,0,0,0,0,0|0,1,1]=4 283 B6R0.6 CC=CC=CCC CNP0608489.0 [2,0,0,0,0,0|1,0,1]=4 284 B6R0.6 CCC=CCC=O CNP0227189.0 [2,0,0,0,0,0|1,0,0]=3 285 B6R0.6 CCC=CCCC CNP0391454.0 [2,0,0,0,0,0|1,0,1]=4 286 B6R0.6 CCCC=CC=O CNP0263913.0 [2,0,0,0,0,0|1,0,1]=4 287 B6R0.6 CCCCCC=O CNP0304790.0 [2,0,0,0,0,0|1,0,1]=4 288 B8R0.2 C=C(CC)C(C)C(=O)C CNP0579299.0 [1,1,0,0,0,0|1,0,0]=3 289 B8R0.2 C=C(CC)[C@H](N)C(=O)O CNP0145446.1 [1,1,0,0,0,0|2,0,0]=4 290 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [1,1,0,0,0,0|1,0,1]=4 291 B8R0.2 CCC(=O)C(C)C(=O)O CNP0082310.0 [1,1,0,0,0,0|1,0,0]=3 292 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [1,1,0,0,0,0|0,0,0]=2 293 B8R0.2 COC(=O)C(C)C(C)C CNP0354391.0 [1,1,0,0,0,0|1,0,1]=4 294 B8R0.2 COC(=O)C(O)C(C)C CNP0612001.0 [1,1,0,0,0,0|1,0,1]=4 295 B8R0.2 COC(=O)N(O)C(=O)C CNP0298264.0 [1,1,0,0,0,0|1,0,0]=3 296 B8R0.2 COC(=O)[C@@H](C)[C@H](C)O CNP0193149.3 [1,1,0,0,0,0|0,0,2]=4 297 B8R0.2 COC(=O)[C@@H](N)C(C)C CNP0369647.2 [1,1,0,0,0,0|1,0,1]=4 298 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O CNP0109671.2 [1,1,0,0,0,0|0,0,2]=4 299 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O CNP0109671.1 [1,1,0,0,0,0|0,0,2]=4 300 B8R0.2 COC(=O)[C@H](C)[C@@H](C)O CNP0193149.2 [1,1,0,0,0,0|0,0,2]=4 301 B8R0.2 COC(=O)[C@H](C)[C@H](C)O CNP0193149.1 [1,1,0,0,0,0|0,0,2]=4 302 B8R0.2 NCC(=O)[C@H](O)C(=O)O CNP0311404.1 [1,1,0,0,0,0|2,0,0]=4 303 B8R0.16 COC(CC(=O)C)OC CNP0151886.0 [1,1,0,0,0,0|0,0,2]=4 304 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [1,1,0,0,0,0|1,0,0]=3 305 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [1,1,0,0,0,0|1,0,1]=4 306 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [1,1,0,0,0,0|1,0,1]=4 307 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,1,0,0,0,0|1,0,1]=4 308 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,1,0,0,0,0|1,0,1]=4 309 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [1,1,0,0,0,0|1,0,0]=3 310 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [1,1,0,0,0,0|1,0,1]=4 311 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [1,1,0,0,0,0|0,0,2]=4 312 B8R0.19 CNC(=CC(=O)OC)C CNP0390582.0 [1,1,0,0,0,0|1,0,1]=4 313 B8R0.19 CNC(=O)NC(=O)OC CNP0277536.0 [1,1,0,0,0,0|1,0,0]=3 314 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [1,1,0,0,0,0|0,0,0]=2 315 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [1,1,0,0,0,0|0,1,1]=4 316 B8R0.19 COC(=O)OC(=O)OC CNP0163247.0 [1,1,0,0,0,0|1,0,0]=3 317 B8R0.23 C=C(CC(=O)O)C(C)C CNP0058320.0 [1,1,0,0,0,0|2,0,0]=4 318 B8R0.23 CC(=O)C=C(C)C(C)C CNP0033202.0 [1,1,0,0,0,0|1,0,1]=4 319 B8R0.23 CC(=O)CC(=O)C(=O)O CNP0082978.0 [1,1,0,0,0,0|1,0,1]=4 320 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [1,1,0,0,0,0|0,0,0]=2 321 B8R0.23 CC(=O)CC(=O)N(C)C CNP0333027.0 [1,1,0,0,0,0|1,0,0]=3 322 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [1,1,0,0,0,0|0,1,1]=4 323 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [1,1,0,0,0,0|1,0,1]=4 324 B8R0.24 COC(=O)CC(C)(C)O CNP0003368.0 [1,1,0,0,0,0|0,0,2]=4 325 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [1,1,0,0,0,0|1,0,1]=4 326 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [1,1,0,0,0,0|1,0,0]=3 327 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [1,1,0,0,0,0|1,0,1]=4 328 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [1,1,0,0,0,0|1,0,1]=4 329 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [1,1,0,0,0,0|1,0,1]=4 330 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [1,1,0,0,0,0|1,0,1]=4 331 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [1,1,0,0,0,0|1,0,1]=4 332 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [1,1,0,0,0,0|1,0,1]=4 333 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [1,1,0,0,0,0|1,0,1]=4 334 B8R0.6 CCOC=CC(=O)C=O CNP0344823.0 [1,1,0,0,0,0|0,0,2]=4 335 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [1,1,0,0,0,0|1,0,1]=4 336 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,1,0,0,0,0|1,0,0]=3 337 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [1,1,0,0,0,0|2,0,0]=4 338 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [1,1,0,0,0,0|2,0,0]=4 339 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [1,1,0,0,0,0|1,0,1]=4 340 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,1,0,0,0,0|1,0,1]=4 341 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,1,0,0,0,0|1,0,1]=4 342 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,1,0,0,0,0|0,0,1]=3 343 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [1,1,0,0,0,0|1,0,1]=4 344 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [1,1,0,0,0,0|1,0,1]=4 345 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [1,1,0,0,0,0|1,0,1]=4 346 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [1,1,0,0,0,0|1,0,1]=4 347 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [1,1,0,0,0,0|1,0,1]=4 348 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [1,1,0,0,0,0|1,0,1]=4 349 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [1,1,0,0,0,0|1,0,1]=4 350 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [1,1,0,0,0,0|0,0,2]=4 351 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [1,1,0,0,0,0|2,0,0]=4 352 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [1,1,0,0,0,0|0,0,1]=3 353 B8R0.1 C=CCOC(=O)C=CC CNP0018156.0 [1,1,0,0,0,0|0,0,2]=4 354 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [1,1,0,0,0,0|0,0,2]=4 355 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [1,1,0,0,0,0|1,0,1]=4 356 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [1,1,0,0,0,0|0,0,1]=3 357 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [1,1,0,0,0,0|1,0,1]=4 358 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [1,1,0,0,0,0|0,0,1]=3 359 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [1,1,0,0,0,0|0,0,1]=3 360 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [1,1,0,0,0,0|0,0,0]=2 361 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [1,1,0,0,0,0|0,0,1]=3 362 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [1,1,0,0,0,0|0,0,1]=3 363 B8R0.1 CCO[S@H](=O)SCSC CNP0547114.1 [1,1,0,0,0,0|2,0,0]=4 364 B8R0.1 CCO[S@](=O)SCSC CNP0331532.1 [1,1,0,0,0,0|2,0,0]=4 365 B8R0.3 C/C=C/C(=O)[C@@H](C)CC CNP0293827.1 [1,1,0,0,0,0|1,0,1]=4 366 B8R0.3 C/C=C/C(=O)[C@H](C)CC CNP0293827.2 [1,1,0,0,0,0|1,0,1]=4 367 B8R0.3 C=C(CC)C(=O)COC CNP0612231.0 [1,1,0,0,0,0|2,0,0]=4 368 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [1,1,0,0,0,0|0,0,1]=3 369 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [1,1,0,0,0,0|1,0,1]=4 370 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [1,1,0,0,0,0|1,0,1]=4 371 B8R0.3 CCOC(=O)C(=CBr)Br CNP0179684.0 [1,1,0,0,0,0|1,0,1]=4 372 B8R0.3 CCOC(=O)C(=CI)I CNP0386420.0 [1,1,0,0,0,0|1,0,1]=4 373 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [1,1,0,0,0,0|0,0,2]=4 374 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [1,1,0,0,0,0|0,0,0]=2 375 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [1,1,0,0,0,0|0,0,1]=3 376 B8R0.3 CCOC(=O)[C@@H](N)CO CNP0522179.2 [1,1,0,0,0,0|0,0,2]=4 377 B8R0.3 CCOC(=O)[C@@H](N)CS CNP0398806.2 [1,1,0,0,0,0|0,1,1]=4 378 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [1,1,0,0,0,0|0,0,1]=3 379 B8R0.3 CCOC(=O)[C@H](N)CO CNP0522179.1 [1,1,0,0,0,0|0,0,2]=4 380 B8R0.3 CCOC(=O)[C@H](O)C#N CNP0342133.1 [1,1,0,0,0,0|1,0,1]=4 381 B8R0.22 CCC=C(C=O)CCC CNP0527539.0 [1,1,0,0,0,0|1,0,1]=4 382 B8R0.14 CCOC(=O)C(C)(C)Br CNP0075932.0 [0,1,0,0,1,0|1,0,1]=4 383 B8R0.15 CCCC(=NO)C(=O)C CNP0175867.0 [0,1,0,0,1,0|1,0,1]=4 384 B10R0.26 CCCC(=O)OC(C)C(=O)C CNP0002917.0 [0,1,0,0,0,1|1,0,0]=3 385 B10R0.26 CCOC(=O)CC(C)C(=O)O CNP0119918.0 [0,1,0,0,0,1|1,0,0]=3 386 B10R0.26 CCOC(=O)C[C@@H](O)C(=O)O CNP0340887.1 [0,1,0,0,0,1|1,0,0]=3 387 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C CNP0332739.1 [0,1,0,0,0,1|1,0,1]=4 388 B10R0.32 CCOC(=O)[C@@H](O)CC(C)C CNP0389022.1 [0,1,0,0,0,1|1,0,1]=4 389 B10R0.32 CCOC(=O)[C@H](C)C[C@H](C)O CNP0280330.1 [0,1,0,0,0,1|0,0,2]=4 390 B10R0.32 CCOC(=O)[C@H](C)OC(=O)C CNP0114784.1 [0,1,0,0,0,1|0,0,0]=2 391 B10R0.57 C=C(CO)C(=O)CCC(=O)C CNP0190089.0 [0,1,0,0,0,1|2,0,0]=4 392 B10R0.57 CCC(C)C(=O)NCC(=O)O CNP0082309.0 [0,1,0,0,0,1|2,0,0]=4 393 B10R0.78 C=CCOC(=O)CCC(=O)C CNP0609110.0 [0,1,0,0,0,1|0,0,1]=3 394 B10R0.78 CCCCC(=O)C=CC(=O)C CNP0107630.0 [0,1,0,0,0,1|1,0,1]=4 395 B10R0.78 CCCCC(=O)NCC(=O)O CNP0078627.0 [0,1,0,0,0,1|2,0,0]=4 396 B10R0.78 CCCOC(=O)CCC(=O)C CNP0002391.0 [0,1,0,0,0,1|0,0,0]=2 397 B10R0.78 COCC=C(C)COC(=O)C CNP0326991.0 [0,1,0,0,0,1|2,0,0]=4 398 B10R0.96 CC(C)CC(=O)NCC(=O)O CNP0207580.0 [0,1,0,0,0,1|2,0,0]=4 399 B10R0.96 CC(C)OC(=O)CCC(=O)O CNP0547700.0 [0,1,0,0,0,1|1,0,0]=3 400 B10R0.108 CCOC(=O)CCC(=O)C=O CNP0237833.0 [0,1,0,0,0,1|0,0,1]=3 401 B10R0.108 CCOC(=O)CNC(=O)CN CNP0593562.0 [0,1,0,0,0,1|0,0,0]=2 402 B10R0.109 CCOC(=O)CCS(=O)(=O)C CNP0414710.0 [0,1,0,0,0,1|1,0,0]=3 403 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [0,2,0,0,0,0|2,0,0]=4 404 B10R0.6 CCCCOC(=O)CC(=O)C CNP0002486.0 [0,2,0,0,0,0|0,0,0]=2 405 B10R0.6 CCCCOC(=O)CC(C)C CNP0084165.0 [0,2,0,0,0,0|1,0,1]=4 406 B10R0.6 CCCCOC(=O)C[C@@H](C)O CNP0226564.2 [0,2,0,0,0,0|0,0,2]=4 407 B10R0.6 CCCCOC(=O)C[C@H](C)O CNP0226564.1 [0,2,0,0,0,0|0,0,2]=4 408 B10R0.6 CCCCOC(=O)NC(=O)N CNP0536572.0 [0,2,0,0,0,0|2,0,0]=4 409 B10R0.6 COCCOC(=O)C[C@@H](C)O CNP0205160.1 [0,2,0,0,0,0|0,0,2]=4 410 B10R0.18 CCCCC(=O)CC(=O)OC CNP0554371.0 [0,2,0,0,0,0|1,0,0]=3 411 B10R0.13 CC(=O)OC(=O)[C@H](O)C(C)C CNP0276510.1 [0,2,0,0,0,0|2,0,0]=4 412 B10R0.13 CC(=O)[C@H](C)C(=O)CC(C)C CNP0277115.1 [0,2,0,0,0,0|1,0,0]=3 413 B10R0.35 CCOC(=O)C(O)C(C)CC CNP0296108.0 [0,2,0,0,0,0|1,0,1]=4 414 B10R0.36 CCOC(=O)C(C)(C)C(C)O CNP0562929.0 [0,2,0,0,0,0|0,0,2]=4 415 B10R0.23 CCC=C(CC(=O)O)C(=O)O CNP0526667.0 [0,2,0,0,0,0|2,0,0]=4 416 B10R0.23 CCOC(=CC(=O)N)C(=O)N CNP0214875.0 [0,2,0,0,0,0|1,0,1]=4 417 B10R0.79 CCOC(CC(=O)C)OCC CNP0288150.0 [0,2,0,0,0,0|0,0,2]=4 418 B10R0.46 COC(=O)CC(=O)C(=O)OC CNP0261519.0 [0,2,0,0,0,0|2,0,0]=4 419 B10R0.2 CCCC(=O)CC(=O)OCC CNP0003512.0 [0,2,0,0,0,0|0,0,0]=2 420 B10R0.2 CCCC(=O)OC(=O)CCC CNP0001510.0 [0,2,0,0,0,0|2,0,0]=4 421 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [0,2,0,0,0,0|0,0,2]=4 422 B10R0.2 CCOC(=O)CC(=O)OCC CNP0079918.0 [0,2,0,0,0,0|0,0,0]=2 423 B10R0.2 CCOC(=O)OC(=O)OCC CNP0003163.0 [0,2,0,0,0,0|1,0,0]=3 424 B10R0.7 CCOC(=O)C[C@](C)(O)CC CNP0284617.1 [0,2,0,0,0,0|0,0,2]=4 425 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [1,0,0,1,0,0|1,0,1]=4 426 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [1,0,0,1,0,0|2,0,0]=4 427 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [1,0,0,1,0,0|1,0,1]=4 428 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [1,0,0,1,0,0|0,0,2]=4 429 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [1,0,0,1,0,0|1,0,1]=4 430 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [1,0,0,1,0,0|1,0,0]=3 431 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [1,0,0,1,0,0|1,0,1]=4 432 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|1,0,1]=4 433 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|1,0,1]=4 434 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [1,0,0,1,0,0|0,0,2]=4 435 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [1,0,0,1,0,0|0,0,2]=4 436 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [1,0,0,1,0,0|1,0,0]=3 437 B8R1.4 O=C1CCNC(=O)N1 CNP0329983.0 [1,0,0,1,0,0|2,0,0]=4 438 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [1,0,0,1,0,0|1,0,1]=4 439 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [1,0,0,1,0,0|1,0,0]=3 440 B8R1.18 CN1CC(=O)NC1=O CNP0220202.0 [1,0,0,1,0,0|2,0,0]=4 441 B8R1.18 C[C@@H]1NC(=O)NC1=O CNP0601377.2 [1,0,0,1,0,0|2,0,0]=4 442 B8R1.18 C[C@H]1NC(=O)NC1=O CNP0601377.1 [1,0,0,1,0,0|2,0,0]=4 443 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [1,0,0,1,0,0|1,0,0]=3 444 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [1,0,0,1,0,0|0,0,2]=4 445 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [1,0,0,1,0,0|1,0,1]=4 446 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [1,0,0,1,0,0|2,0,0]=4 447 B8R1.7 CC(=O)C1CCSS1 CNP0238288.0 [1,0,0,1,0,0|1,1,0]=4 448 B8R1.7 CC(=O)N1C=CCC1 CNP0356664.0 [1,0,0,1,0,0|2,0,0]=4 449 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [1,0,0,1,0,0|2,0,0]=4 450 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [1,0,0,1,0,0|1,0,0]=3 451 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [1,0,0,1,0,0|1,0,1]=4 452 B8R1.11 CC=C1CCNC1=O CNP0182504.0 [1,0,0,1,0,0|1,0,1]=4 453 B8R1.11 CCC1CCCC1=O CNP0494839.0 [1,0,0,1,0,0|1,0,1]=4 454 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [1,0,0,1,0,0|1,0,1]=4 455 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [1,0,0,1,0,0|1,0,1]=4 456 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [1,0,0,1,0,0|1,0,1]=4 457 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,0,0,1,1,0|1,0,1]=4 458 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,0,0,1,1,0|1,0,1]=4 459 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,0,0,1,1,0|1,0,0]=3 460 B8R1.5 O=C1NCCNC1=O CNP0540592.0 [0,0,0,1,1,0|2,0,0]=4 461 B10R1.64 CC(=O)NC1SCCC1=O CNP0498587.0 [0,0,0,1,0,1|2,0,0]=4 462 B10R1.64 CC(=O)N[C@@H]1CCSC1=O CNP0583672.2 [0,0,0,1,0,1|0,1,0]=3 463 B10R1.64 CC(=O)N[C@H]1CCOC1=O CNP0535066.1 [0,0,0,1,0,1|0,0,0]=2 464 B10R1.64 CC(=O)N[C@H]1CCSC1=O CNP0583672.1 [0,0,0,1,0,1|0,1,0]=3 465 B10R1.64 CC(=O)SC1=C(OCC1)C CNP0082049.0 [0,0,0,1,0,1|1,0,1]=4 466 B10R1.64 NC(=O)CN1CCCC1=O CNP0598428.0 [0,0,0,1,0,1|2,0,0]=4 467 B10R1.64 O=C(O)CN1CCCC1=O CNP0509935.0 [0,0,0,1,0,1|2,0,0]=4 468 B10R1.66 CC(=O)OC[C@@H]1CCCO1 CNP0114315.1 [0,0,0,1,0,1|1,0,1]=4 469 B10R1.66 CC(=O)OC[C@H]1CCCO1 CNP0114315.2 [0,0,0,1,0,1|1,0,1]=4 470 B10R1.71 O=C1CCCNC(=O)CN1 CNP0188446.0 [0,0,0,1,0,1|1,0,0]=3 471 B10R1.71 O=C1COC(=O)CCCN1 CNP0119732.0 [0,0,0,1,0,1|1,0,0]=3 472 B10R1.107 CC(=O)N[C@@H]1C(=O)O[C@@H]1C CNP0213056.1 [0,0,0,1,0,1|0,0,0]=2 473 B10R1.107 CC(=O)N[C@H]1C(=O)O[C@H]1C CNP0213056.2 [0,0,0,1,0,1|0,0,0]=2 474 B10R1.113 NC(=O)C1=CC(=O)OCC1 CNP0294513.0 [0,0,0,1,0,1|1,0,1]=4 475 B10R1.113 O=C1CCCC(C1)C(=O)O CNP0612018.0 [0,0,0,1,0,1|2,0,0]=4 476 B10R1.113 O=C1CCCC(N1)C(=O)O CNP0082266.0 [0,0,0,1,0,1|2,0,0]=4 477 B10R1.330 O=C1CCC(=O)CC(C1)O CNP0144196.0 [0,0,0,1,0,1|2,0,0]=4 478 B10R1.8 CC1=CC(=O)C[C@@H](O1)CO CNP0212942.1 [0,1,0,1,0,0|1,0,1]=4 479 B10R1.8 CCC1=CC(=O)C[C@@H](O1)C CNP0217841.2 [0,1,0,1,0,0|1,0,1]=4 480 B10R1.8 CCC1=CC(=O)C[C@H](O1)C CNP0217841.1 [0,1,0,1,0,0|1,0,1]=4 481 B10R1.8 CC[C@@H]1CC(=O)C=C(O1)C CNP0105941.1 [0,1,0,1,0,0|1,0,1]=4 482 B10R1.8 C[C@H]1CC(=O)C=C(O1)CO CNP0111565.1 [0,1,0,1,0,0|0,0,2]=4 483 B10R1.54 CC(=O)CC1=CC=C(O1)C CNP0609799.0 [0,1,0,1,0,0|1,0,1]=4 484 B10R1.192 C[C@@H]1COC(=O)[C@H]1[C@@H](C)O CNP0272849.1 [0,1,0,1,0,0|0,0,2]=4 485 B10R1.192 C[C@H](O)C1C(=O)OC[C@@H]1C CNP0272849.2 [0,1,0,1,0,0|0,0,2]=4 486 B10R1.192 C[C@H](O)[C@@H]1C(=O)OC[C@H]1C CNP0272849.3 [0,1,0,1,0,0|0,0,2]=4 487 B10R1.22 C[C@H]1OC(=CC(=O)[C@@H]1O)O CNP0109001.1 [0,1,0,1,0,0|0,0,2]=4 488 B10R1.291 CC(=O)[C@@]1(CCOC1=O)C CNP0364399.2 [0,1,0,1,0,0|0,0,0]=2 489 B10R1.291 CC(=O)[C@]1(CCOC1=O)C CNP0364399.1 [0,1,0,1,0,0|0,0,0]=2 490 B10R1.10 CCC=C1CCOC(=O)C1 CNP0206629.0 [0,1,0,1,0,0|2,0,0]=4 491 B10R1.10 CCOC1=CC(=O)CCC1 CNP0056254.0 [0,1,0,1,0,0|1,0,1]=4 492 B10R1.475 CC[C@@]1(CC(=O)NC1=O)C CNP0594000.1 [0,1,0,1,0,0|2,0,0]=4 493 B10R1.475 CC[C@]1(CC(=O)NC1=O)C CNP0594000.2 [0,1,0,1,0,0|2,0,0]=4 494 B10R1.135 CCOC(=O)C1CC1CO CNP0490095.0 [0,1,0,1,0,0|0,0,2]=4 495 B10R1.256 CCC1=C(C(=O)NC1=O)C CNP0185168.0 [0,1,0,1,0,0|2,0,0]=4 496 B10R1.256 CCC1=C(C(=O)OC1=O)C CNP0355701.0 [0,1,0,1,0,0|2,0,0]=4 497 B10R1.329 CC1(CC(=O)CC(=O)C1)C CNP0566053.0 [0,1,0,1,0,0|1,0,0]=3 498 B10R1.329 CC1(OC(=O)CC(=O)O1)C CNP0197041.0 [0,1,0,1,0,0|1,0,0]=3 499 B10R1.329 CC1=CC(=O)OC(C1)(C)C CNP0077000.0 [0,1,0,1,0,0|1,0,1]=4 500 B10R1.329 CC1=CC(CC(=O)C1)(C)C CNP0135841.0 [0,1,0,1,0,0|2,0,0]=4 501 B10R1.329 C[C@@]1(CC(=O)O[C@H](C1)O)O CNP0293170.1 [0,1,0,1,0,0|0,0,2]=4 502 B10R2.174 C=C1CCC2C1C(=O)N2 CNP0193176.0 [0,0,0,2,0,0|2,0,0]=4 503 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [1,0,0,0,1,0|1,0,0]=3 504 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [1,0,0,0,1,0|2,0,0]=4 505 B6R0.3 C=C(Cl)C(=O)OC CNP0115457.0 [1,0,0,0,1,0|1,0,1]=4 506 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [1,0,0,0,1,0|1,0,1]=4 507 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [1,0,0,0,1,0|2,0,0]=4 508 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [1,0,0,0,1,0|0,0,0]=2 509 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [1,0,0,0,1,0|1,0,0]=3 510 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [1,0,0,0,1,0|1,0,1]=4 511 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [1,0,0,0,1,0|0,1,1]=4 512 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [1,0,0,0,1,0|2,0,0]=4 513 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [1,0,0,0,1,0|1,0,1]=4 514 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [1,0,0,0,1,0|0,0,2]=4 515 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [1,0,0,0,1,0|0,0,2]=4 516 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [1,0,0,0,1,0|0,1,1]=4 517 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [1,0,0,0,1,0|1,0,1]=4 518 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [1,0,0,0,1,0|0,0,2]=4 519 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [1,0,0,0,1,0|1,0,1]=4 520 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [1,0,0,0,1,0|2,0,0]=4 521 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [1,0,0,0,1,0|0,0,0]=2 522 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [1,0,0,0,1,0|1,0,0]=3 523 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [1,0,0,0,1,0|1,0,0]=3 524 B6R0.3 COC(=O)C(C)C CNP0354997.0 [1,0,0,0,1,0|1,0,1]=4 525 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [1,0,0,0,1,0|1,0,1]=4 526 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [1,0,0,0,1,0|0,0,2]=4 527 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [1,0,0,0,1,0|1,0,1]=4 528 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [1,0,0,0,1,0|0,0,2]=4 529 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [1,0,0,0,1,0|1,0,1]=4 530 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [1,0,0,0,1,0|2,0,0]=4 531 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [1,0,0,0,1,0|2,0,0]=4 532 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [1,0,0,0,1,0|2,0,0]=4 533 B10R0.3 C=C(C)CCOC(=O)CCC CNP0525083.0 [0,0,0,0,0,2|2,0,0]=4 534 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [0,0,0,0,0,2|2,0,0]=4 535 B10R0.3 CCOC(=O)/C=C/C[C@H](C)O CNP0226246.1 [0,0,0,0,0,2|0,0,2]=4 536 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [0,0,0,0,0,2|0,0,0]=2 537 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,0,0,0,0,2|1,0,1]=4 538 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,0,0,0,0,2|0,0,2]=4