0 B9R1.3 CC1=C(C(=O)CCO1)O CNP0273822.0 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.3 CC1=CC=CC(=O)C1=O CNP0588286.0 [0,0,0,0,0,0|0,0,4]=4 2 B9R1.3 CC1C(=O)CCCC1=O CNP0609104.0 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.3 CC1CCCC(C1=O)C CNP0612142.0 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.3 CC1CCCC(C1C)O CNP0521321.0 [0,0,0,0,0,0|1,0,3]=4 5 B9R1.3 CC1[C@@H](CCC[C@H]1C)C CNP0315073.2 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.3 CN1CCCN(C1=O)C CNP0493752.0 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.3 C[C@@H]1CCC[C@@H]([C@H]1O)C CNP0252698.1 [0,0,0,0,0,0|1,0,3]=4 8 B9R1.3 C[C@@H]1CCC[C@H](N1C)C CNP0376276.1 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.3 C[C@@H]1OC=CC(=O)C1=O CNP0313434.1 [0,0,0,0,0,0|1,0,2]=3 10 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,0,0,0,0,0|0,0,0]=0 11 B9R1.3 C[C@H]1[C@@H](CCC[C@@H]1C)C CNP0315073.1 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.3 O=C1NCC[C@@H]([C@@H]1Cl)O CNP0556775.3 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.3 O=C1NCC[C@@H]([C@H]1Cl)O CNP0556775.4 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.3 O=C1NCC[C@@H]([C@H]1O)O CNP0519609.1 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O CNP0556775.2 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.3 O=C1NCC[C@H]([C@H]1Cl)O CNP0556775.1 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [1,0,0,0,0,0|0,0,1]=2 18 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [1,0,0,0,0,0|1,0,1]=3 19 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [1,0,0,0,0,0|1,0,1]=3 20 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [1,0,0,0,0,0|1,0,0]=2 21 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [1,0,0,0,0,0|1,0,2]=4 22 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [1,0,0,0,0,0|0,0,3]=4 23 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [1,0,0,0,0,0|0,0,3]=4 26 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [1,0,0,0,0,0|1,0,1]=3 27 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [1,0,0,0,0,0|1,0,2]=4 28 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,0,0,0|0,0,1]=2 29 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,0,0,0,0,0|1,0,0]=2 30 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [1,0,0,0,0,0|1,0,2]=4 31 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [1,0,0,0,0,0|0,0,3]=4 32 B8R1.4 C[C@@H]1CCC[C@@H](N1)C CNP0277987.1 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [1,0,0,0,0,0|1,0,2]=4 34 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [1,0,0,0,0,0|0,0,3]=4 35 B8R1.4 C[C@@H]1CCC[C@H](N1)C CNP0277987.2 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [1,0,0,0,0,0|1,0,2]=4 37 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,0,0,0|0,0,1]=2 38 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,0,0,0,0,0|1,0,0]=2 39 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [1,0,0,0,0,0|0,0,3]=4 40 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [1,0,0,0,0,0|0,0,3]=4 41 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [1,0,0,0,0,0|2,1,0]=4 42 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.5 C=C1CCCCC1C CNP0595985.0 [1,0,0,0,0,0|1,0,1]=3 46 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [1,0,0,0,0,0|1,0,0]=2 48 B8R1.5 CC1CCCCC1=O CNP0003363.0 [1,0,0,0,0,0|0,0,1]=2 49 B8R1.5 CC1CCCCC1O CNP0610101.0 [1,0,0,0,0,0|0,0,3]=4 50 B8R1.5 CC1CCCOC1=O CNP0340524.0 [1,0,0,0,0,0|1,0,0]=2 51 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [1,0,0,0,0,0|1,0,2]=4 52 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [1,0,0,0,0,0|1,0,2]=4 53 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [1,0,0,0,0,0|1,0,1]=3 55 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [1,0,0,0,0,0|0,0,2]=3 56 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [1,0,0,0,0,0|0,0,0]=1 57 B8R1.5 O=C1CCCCC1O CNP0610127.0 [1,0,0,0,0,0|0,0,2]=3 58 B8R1.5 O=C1NCCNC1=O CNP0540592.0 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.2 C[C@H]1CCC/C(=N/O)/C1=O CNP0226443.1 [0,1,0,0,0,0|0,0,1]=2 60 B10R1.22 CC1=C(C(=O)C[C@@H](C1)O)C CNP0299225.1 [0,1,0,0,0,0|1,0,1]=3 61 B10R1.22 CC1=C(C(=O)C[C@H](O1)O)O CNP0088707.1 [0,1,0,0,0,0|1,0,2]=4 62 B10R1.119 CC1=C(C(=O)[C@@H](CO1)O)O CNP0283189.1 [0,1,0,0,0,0|1,0,2]=4 63 B10R1.119 CC1=C(C(=O)[C@H](CO1)O)O CNP0283189.2 [0,1,0,0,0,0|1,0,2]=4 64 B10R1.119 CN1C(=O)[C@@H](CC[C@H]1O)O CNP0116469.1 [0,1,0,0,0,0|1,0,2]=4 65 B10R1.245 N=CC1=C(CCCC1=O)O CNP0451959.0 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.245 O=CC1=C(CCNC1=O)O CNP0352698.0 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.301 C=C1C(=CCCC1(C)C)C CNP0330496.0 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.301 CC1=CCCC(C1=O)(C)C CNP0037494.0 [0,1,0,0,0,0|1,0,1]=3 69 B10R1.301 C[C@@H]1CCCC(C1=O)(C)C CNP0229398.1 [0,1,0,0,0,0|1,0,1]=3 70 B10R1.301 C[C@H]1CCCC(C1=O)(C)C CNP0229398.2 [0,1,0,0,0,0|1,0,1]=3 71 B8R0.2 C=C(C(=O)OC)[C@H](C)O CNP0274042.1 [0,0,1,0,0,0|3,0,0]=4 72 B8R0.2 CC(=O)C(=O)[C@@H](O)CO CNP0082869.1 [0,0,1,0,0,0|2,0,0]=3 73 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [0,0,1,0,0,0|1,0,1]=3 74 B8R0.2 CCC(C)C(=O)C(C)C CNP0480087.0 [0,0,1,0,0,0|1,0,1]=3 75 B8R0.2 CCC(C)[C@@H](N)C(=O)O CNP0337843.4 [0,0,1,0,0,0|2,0,1]=4 76 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,0,1,0,0,0|1,0,0]=2 77 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CNP0337843.2 [0,0,1,0,0,0|2,0,1]=4 78 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O CNP0290048.1 [0,0,1,0,0,0|1,0,2]=4 79 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CNP0337843.3 [0,0,1,0,0,0|2,0,1]=4 80 B8R0.2 CC[C@@H](C)[C@H](O)C(=O)O CNP0290048.3 [0,0,1,0,0,0|1,0,2]=4 81 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,0,1,0,0,0|1,0,0]=2 82 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CNP0337843.5 [0,0,1,0,0,0|2,0,1]=4 83 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O CNP0290048.4 [0,0,1,0,0,0|1,0,2]=4 84 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CNP0337843.1 [0,0,1,0,0,0|2,0,1]=4 85 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CNP0290048.2 [0,0,1,0,0,0|1,0,2]=4 86 B8R0.2 COC(=O)C(=O)C(C)C CNP0337448.0 [0,0,1,0,0,0|1,0,0]=2 87 B8R0.2 COC(=O)C(C)C(C)C CNP0354391.0 [0,0,1,0,0,0|2,0,1]=4 88 B8R0.2 COC(=O)C(O)C(C)C CNP0612001.0 [0,0,1,0,0,0|1,0,2]=4 89 B8R0.2 COC(=O)[C@@H](N)C(C)C CNP0369647.2 [0,0,1,0,0,0|2,0,1]=4 90 B8R0.2 O=C(O)C(=O)C(O)CO CNP0611324.0 [0,0,1,0,0,0|3,0,0]=4 91 B8R0.3 C=C(CC)C(=O)COC CNP0612231.0 [0,0,1,0,0,0|2,0,0]=3 92 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [0,0,1,0,0,0|2,0,1]=4 93 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [0,0,1,0,0,0|1,0,1]=3 94 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,0,1,0,0,0|0,0,0]=1 95 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [0,0,1,0,0,0|1,0,1]=3 96 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,0,1,0,0,0|1,0,1]=3 97 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,0,1,0,0,0|1,0,1]=3 98 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [0,0,1,0,0,0|2,0,0]=3 99 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,0,1,0,0,0|1,0,0]=2 100 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [0,0,1,0,0,0|2,0,1]=4 101 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [0,0,1,0,0,0|2,0,1]=4 102 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [0,0,1,0,0,0|3,0,0]=4 103 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [0,0,1,0,0,0|1,0,2]=4 104 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,0,1,0,0,0|1,0,0]=2 105 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,0,1,0,0,0|2,0,0]=3 106 B8R0.6 C=CCCC[C@H](O)C=C CNP0223839.1 [0,0,1,0,0,0|3,0,0]=4 107 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [0,0,1,0,0,0|1,0,2]=4 108 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [0,0,1,0,0,0|1,0,2]=4 109 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,0,1,0,0,0|1,0,1]=3 110 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [0,0,1,0,0,0|1,0,1]=3 111 B8R0.6 CCCCCC(=NO)C CNP0241223.0 [0,0,1,0,0,0|2,0,1]=4 112 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,0,1,0,0,0|1,0,1]=3 113 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,0,1,0,0,0|0,0,2]=3 114 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,0,1,0,0,0|2,0,0]=3 115 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,0,1,0,0,0|2,0,0]=3 116 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,0,1,0,0,0|2,0,1]=4 117 B8R0.6 CCOC=CC(=O)C=O CNP0344823.0 [0,0,1,0,0,0|1,0,2]=4 118 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,0,1,0,0,0|3,0,0]=4 119 B8R0.6 COCCCC(=O)OC CNP0580088.0 [0,0,1,0,0,0|3,0,0]=4 120 B8R0.6 NCCCCC(N)C=O CNP0581320.0 [0,0,1,0,0,0|2,0,1]=4 121 B10R2.25 CC1=C([C@H]2CC[C@@H]1C2)C CNP0320008.1 [0,0,0,1,0,0|2,0,0]=3 122 B10R2.25 O=C1C(=O)[C@H]2C=C[C@@H]1C2 CNP0187201.1 [0,0,0,1,0,0|0,0,2]=3 123 B10R2.36 O=C1[C@@H]2CC[C@@H]([C@H]1C2)O CNP0519128.1 [0,0,0,1,0,0|2,0,1]=4 124 B10R2.179 CC12CCCC(=O)C1O2 CNP0566501.0 [0,0,0,1,0,0|0,0,2]=3 125 B8R1.50 C=C1C(=O)OC[C@@H]1O CNP0216725.1 [0,0,0,0,1,0|3,0,0]=4 126 B8R1.50 C=C1C(=O)OC[C@H]1O CNP0216725.2 [0,0,0,0,1,0|3,0,0]=4 127 B8R1.50 CC1=C(C(=N)CC1)O CNP0038308.0 [0,0,0,0,1,0|1,0,2]=4 128 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,0,0,0,1,0|1,0,1]=3 129 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,0,0,0,1,0|0,0,2]=3 130 B8R1.50 CC1=C(C(=O)CO1)O CNP0262412.0 [0,0,0,0,1,0|1,0,2]=4 131 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [0,0,0,0,1,0|1,0,2]=4 132 B8R1.50 CC1=C(C(=O)CS1)S CNP0358297.0 [0,0,0,0,1,0|1,1,1]=4 133 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,0,0,0,1,0|2,0,0]=3 134 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,0,0,0,1,0|1,0,1]=3 135 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,0,0,0,1,0|1,0,1]=3 136 B8R1.50 CC1CCC(C1=O)C CNP0569003.0 [0,0,0,0,1,0|1,0,1]=3 137 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,0,0,0,1,0|2,0,1]=4 138 B8R1.50 CN1CC[C@H](C1=O)O CNP0148419.1 [0,0,0,0,1,0|1,0,2]=4 139 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,0,0,0,1,0|1,0,2]=4 140 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,0,0,0,1,0|2,0,1]=4 141 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,0,0,0,1,0|0,0,2]=3 142 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,0,0,0,1,0|0,0,0]=1 143 B8R1.50 O=C1CCC(=C1O)O CNP0157820.0 [0,0,0,0,1,0|1,0,2]=4 144 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [1,0,1,0,0,0|0,0,1]=3 145 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [1,0,1,0,0,0|1,0,1]=4 146 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [1,0,1,0,0,0|0,0,1]=3 147 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [1,0,1,0,0,0|0,0,1]=3 148 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [1,0,1,0,0,0|1,0,0]=3 149 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [1,0,1,0,0,0|0,0,1]=3 150 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [1,0,1,0,0,0|1,0,1]=4 151 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [1,0,1,0,0,0|1,0,0]=3 152 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [1,0,1,0,0,0|1,0,1]=4 153 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [1,0,1,0,0,0|1,0,1]=4 154 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [1,0,1,0,0,0|1,0,1]=4 155 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [1,0,1,0,0,0|1,0,0]=3 156 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [1,0,1,0,0,0|1,0,1]=4 157 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [1,0,1,0,0,0|1,0,1]=4 158 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [1,0,1,0,0,0|1,0,1]=4 159 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [1,0,1,0,0,0|1,0,1]=4 160 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [1,0,1,0,0,0|2,0,0]=4 161 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [1,0,1,0,0,0|1,0,0]=3 162 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [1,0,1,0,0,0|2,0,0]=4 163 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [1,0,1,0,0,0|1,0,0]=3 164 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [1,0,1,0,0,0|0,0,0]=2 165 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [1,0,1,0,0,0|1,0,0]=3 166 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,0,1,0,0,0|1,0,0]=3 167 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [1,0,1,0,0,0|0,0,1]=3 168 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [1,0,1,0,0,0|0,0,2]=4 169 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [1,0,1,0,0,0|0,0,2]=4 170 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [1,0,1,0,0,0|0,0,1]=3 171 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [1,0,1,0,0,0|1,0,0]=3 172 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [1,0,1,0,0,0|1,0,0]=3 173 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [1,0,1,0,0,0|0,0,1]=3 174 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [1,0,1,0,0,0|1,0,1]=4 175 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [1,0,1,0,0,0|0,0,2]=4 176 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [1,0,1,0,0,0|1,0,0]=3 177 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [1,0,1,0,0,0|1,0,0]=3 178 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [1,0,1,0,0,0|0,0,1]=3 179 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [1,0,1,0,0,0|2,0,0]=4 180 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [1,0,1,0,0,0|1,0,1]=4 181 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [1,0,1,0,0,0|1,0,1]=4 182 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [1,0,1,0,0,0|1,0,0]=3 183 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [1,0,1,0,0,0|1,0,0]=3 184 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [1,0,1,0,0,0|2,0,0]=4 185 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [1,0,1,0,0,0|2,0,0]=4 186 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [1,0,1,0,0,0|2,0,0]=4 187 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [1,0,1,0,0,0|1,0,1]=4 188 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [1,0,1,0,0,0|1,0,1]=4 189 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [1,0,1,0,0,0|1,0,1]=4 190 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [1,0,1,0,0,0|2,0,0]=4 191 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [1,0,1,0,0,0|0,0,1]=3 192 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [1,0,1,0,0,0|1,0,1]=4 193 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [1,0,1,0,0,0|0,0,0]=2 194 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [1,0,1,0,0,0|0,0,1]=3 195 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [1,0,1,0,0,0|0,0,1]=3 196 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [1,0,1,0,0,0|1,0,1]=4 197 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [1,0,1,0,0,0|2,0,0]=4 198 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [1,0,1,0,0,0|1,0,0]=3 199 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [1,0,1,0,0,0|1,0,0]=3 200 B7R0.10 CNC(=O)C(=O)NC CNP0130900.0 [1,0,1,0,0,0|2,0,0]=4 201 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [1,0,1,0,0,0|2,0,0]=4 202 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [1,0,1,0,0,0|2,0,0]=4 203 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [1,0,1,0,0,0|2,0,0]=4 204 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [1,0,1,0,0,0|2,0,0]=4 205 B7R0.16 C=C(C)C(=O)C(C)C CNP0611996.0 [1,0,1,0,0,0|1,0,0]=3 206 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [1,0,1,0,0,0|0,0,0]=2 207 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [1,0,1,0,0,0|0,1,1]=4 208 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [1,0,1,0,0,0|2,0,0]=4 209 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [1,0,1,0,0,0|1,0,1]=4 210 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [1,0,1,0,0,0|1,0,1]=4 211 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [1,0,1,0,0,0|1,0,0]=3 212 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [1,0,1,0,0,0|1,0,0]=3 213 B7R0.16 CC(C)C(=O)C(C)C CNP0413157.0 [1,0,1,0,0,0|1,0,1]=4 214 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [1,0,1,0,0,0|0,0,2]=4 215 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [1,0,1,0,0,0|2,0,0]=4 216 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [1,0,1,0,0,0|2,0,0]=4 217 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [1,0,1,0,0,0|1,0,0]=3 218 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,0,1,0,0,0|1,0,1]=4 219 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,0,1,0,0,0|1,0,0]=3 220 B7R0.3 C=CC(C)CCCC CNP0354372.0 [1,0,1,0,0,0|1,0,1]=4 221 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,0,1,0,0,0|1,0,1]=4 222 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,0,1,0,0,0|2,0,0]=4 223 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,0,1,0,0,0|0,0,1]=3 224 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,0,1,0,0,0|1,0,0]=3 225 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,0,1,0,0,0|0,0,1]=3 226 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,0,1,0,0,0|1,0,1]=4 227 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [1,0,1,0,0,0|0,0,1]=3 228 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [1,0,1,0,0,0|1,0,1]=4 229 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,0,1,0,0,0|1,0,0]=3 230 B7R0.3 NC(C=O)CCC=O CNP0504605.0 [1,0,1,0,0,0|1,0,0]=3 231 B7R0.7 C=C(CCC)CCC CNP0515689.0 [1,0,1,0,0,0|1,0,1]=4 232 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [1,0,1,0,0,0|1,0,1]=4 233 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [1,0,1,0,0,0|0,0,1]=3 234 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [1,0,1,0,0,0|1,0,1]=4 235 B7R0.7 CC=CC(C)CCC CNP0084706.0 [1,0,1,0,0,0|1,0,0]=3 236 B7R0.7 CC=CC(O)CCC CNP0324750.0 [1,0,1,0,0,0|2,0,0]=4 237 B7R0.7 CCC=C(C)CCC CNP0345457.0 [1,0,1,0,0,0|1,0,0]=3 238 B7R0.7 CCCC(=O)CCC CNP0310318.0 [1,0,1,0,0,0|0,0,1]=3 239 B7R0.7 CCCC(=O)OCC CNP0232050.0 [1,0,1,0,0,0|1,0,0]=3 240 B7R0.7 CCCC(=S)OCC CNP0612025.0 [1,0,1,0,0,0|1,1,0]=4 241 B7R0.7 CCCC(C)CC=O CNP0405888.0 [1,0,1,0,0,0|0,0,1]=3 242 B7R0.7 CCOC(=O)CCS CNP0347470.0 [1,0,1,0,0,0|2,0,0]=4 243 B7R0.7 CCOC(=O)CNC CNP0575591.0 [1,0,1,0,0,0|2,0,0]=4 244 B7R0.7 CCOC(=O)CSC CNP0330528.0 [1,0,1,0,0,0|2,0,0]=4 245 B7R0.7 CCOC(=O)OCC CNP0167765.0 [1,0,1,0,0,0|2,0,0]=4 246 B7R0.1 C=CC=CCCCC CNP0084214.0 [1,0,1,0,0,0|1,0,1]=4 247 B7R0.1 C=CCCCCC=C CNP0118215.0 [1,0,1,0,0,0|2,0,0]=4 248 B7R0.1 C=CCCCCCC CNP0246919.0 [1,0,1,0,0,0|1,0,1]=4 249 B7R0.1 CC=CCCCCC CNP0199237.0 [1,0,1,0,0,0|1,0,0]=3 250 B7R0.1 CC=CCSCCC CNP0536250.0 [1,0,1,0,0,0|2,0,0]=4 251 B7R0.1 CCCCC=CC=O CNP0210810.0 [1,0,1,0,0,0|0,0,1]=3 252 B7R0.1 CCCCCCC=O CNP0243745.0 [1,0,1,0,0,0|0,0,1]=3 253 B7R0.1 CCCCCOC=O CNP0294368.0 [1,0,1,0,0,0|1,0,0]=3 254 B7R0.1 CCCCCON=O CNP0511882.0 [1,0,1,0,0,0|2,0,0]=4 255 B7R0.1 CCCCN=CC=S CNP0423600.0 [1,0,1,0,0,0|1,1,0]=4 256 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [1,0,1,0,0,0|1,1,0]=4 257 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,0,1,0,0,0|0,0,1]=3 258 B7R0.4 C=CCCCC(C)C CNP0359236.0 [1,0,1,0,0,0|1,0,1]=4 259 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [1,0,1,0,0,0|0,0,1]=3 260 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [1,0,1,0,0,0|1,0,1]=4 261 B7R0.4 CC(C)CCNC=O CNP0473179.0 [1,0,1,0,0,0|1,0,1]=4 262 B7R0.4 CC(C)CCOC=O CNP0324042.0 [1,0,1,0,0,0|1,0,1]=4 263 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,0,1,0,0,0|0,0,1]=3 264 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,0,1,0,0,0|1,0,0]=3 265 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,0,1,0,0,0|0,0,1]=3 266 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,0,1,0,0,0|0,1,1]=4 267 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,0,1,0,0,0|0,0,1]=3 268 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,0,1,0,0,0|1,0,1]=4 269 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,0,1,0,0,0|1,0,1]=4 270 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,0,1,0,0,0|1,0,1]=4 271 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,0,1,0,0,0|1,0,1]=4 272 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,0,1,0,0,0|1,0,1]=4 273 B7R0.4 NCCCCC(=O)N CNP0001733.0 [1,0,1,0,0,0|2,0,0]=4 274 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,0,1,0,0,0|1,0,1]=4 275 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,0,1,0,0,0|1,0,1]=4 276 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [1,0,1,0,0,0|1,0,1]=4 277 B7R1.3 C=C1CCCCC1 CNP0312009.0 [2,0,0,0,0,0|1,0,1]=4 278 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [2,0,0,0,0,0|0,0,2]=4 279 B7R1.3 CC1=CCCCC1 CNP0369235.0 [2,0,0,0,0,0|1,0,0]=3 280 B7R1.3 CC1CCCCC1 CNP0191222.0 [2,0,0,0,0,0|0,0,2]=4 281 B7R1.3 CC1CCCCO1 CNP0292894.0 [2,0,0,0,0,0|1,0,1]=4 282 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [2,0,0,0,0,0|0,0,2]=4 283 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [2,0,0,0,0,0|1,0,1]=4 284 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [2,0,0,0,0,0|1,0,1]=4 285 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [2,0,0,0,0,0|0,0,1]=3 286 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [2,0,0,0,0,0|1,0,1]=4 287 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [2,0,0,0,0,0|1,0,1]=4 288 B7R1.3 O=C1CCCCC1 CNP0271526.0 [2,0,0,0,0,0|0,0,1]=3 289 B7R1.3 O=C1CCCCN1 CNP0142808.0 [2,0,0,0,0,0|1,0,0]=3 290 B7R1.3 O=C1CCCCO1 CNP0237404.0 [2,0,0,0,0,0|1,0,0]=3 291 B7R1.3 O=C1CCNCC1 CNP0212699.0 [2,0,0,0,0,0|1,0,1]=4 292 B7R1.3 O=C1COCCN1 CNP0517075.0 [2,0,0,0,0,0|2,0,0]=4 293 B7R1.3 OC1=CCCCC1 CNP0083987.0 [2,0,0,0,0,0|0,0,1]=3 294 B7R1.3 OC1=NCCCC1 CNP0547052.0 [2,0,0,0,0,0|1,0,1]=4 295 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [2,0,0,0,0,0|1,0,0]=3 296 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [2,0,0,0,0,0|1,0,0]=3 297 B9R0.6 C=C(C(=O)OCC)[C@@H](C)O CNP0184419.1 [0,1,1,0,0,0|2,0,0]=4 298 B9R0.6 CCOC(=O)C(=O)C(C)C CNP0303947.0 [0,1,1,0,0,0|0,0,0]=2 299 B9R0.6 CCOC(=O)C(=O)N(C)C CNP0355375.0 [0,1,1,0,0,0|1,0,0]=3 300 B9R0.6 CCOC(=O)[C@@H](N)C(C)C CNP0535653.1 [0,1,1,0,0,0|1,0,1]=4 301 B9R0.6 CCOC(=O)[C@H](O)C(C)C CNP0170066.1 [0,1,1,0,0,0|0,0,2]=4 302 B9R0.27 CCC(=O)C(=O)C(C)CC CNP0330922.0 [0,1,1,0,0,0|0,0,0]=2 303 B9R0.27 CCC(C)C(=O)C(=O)OC CNP0194521.0 [0,1,1,0,0,0|0,0,0]=2 304 B9R0.27 CCC(C)C(=O)C(C)CC CNP0499224.0 [0,1,1,0,0,0|1,0,1]=4 305 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC CNP0385653.2 [0,1,1,0,0,0|1,0,1]=4 306 B9R0.27 CC[C@H](C)[C@H](O)C(=O)OC CNP0192892.1 [0,1,1,0,0,0|0,0,2]=4 307 B9R0.32 CC(C)(CO)C(=O)C(=O)O CNP0358941.0 [0,1,1,0,0,0|2,0,0]=4 308 B9R0.32 CCC(C)(C)C(=O)C(=O)O CNP0359042.0 [0,1,1,0,0,0|1,0,0]=3 309 B9R0.32 CCC(C)(O)C(=O)C(=O)O CNP0044065.0 [0,1,1,0,0,0|1,0,0]=3 310 B9R0.79 CN(C)C(=O)C(=O)N(C)C CNP0128796.0 [0,1,1,0,0,0|2,0,0]=4 311 B9R0.8 CC=C(C)C(=O)OCCC CNP0003448.0 [0,1,1,0,0,0|1,0,1]=4 312 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [0,1,1,0,0,0|1,0,0]=3 313 B9R0.8 CCCC[C@@H](C)C(=O)CC CNP0221294.1 [0,1,1,0,0,0|1,0,1]=4 314 B9R0.8 CCCOC(=O)[C@H](C)CC CNP0204627.1 [0,1,1,0,0,0|1,0,1]=4 315 B9R0.23 CCC(=O)C(=O)CC(C)C CNP0169073.0 [0,1,1,0,0,0|0,0,0]=2 316 B9R0.23 COC(=O)C(=O)CC(C)C CNP0112927.0 [0,1,1,0,0,0|1,0,0]=3 317 B9R0.35 CCC=C(C)C(=O)OCC CNP0154719.0 [0,1,1,0,0,0|1,0,1]=4 318 B9R0.35 CCCC(=O)C(=O)CCC CNP0333081.0 [0,1,1,0,0,0|0,0,0]=2 319 B9R0.35 CCCC(=O)C(O)CCC CNP0003366.0 [0,1,1,0,0,0|0,0,2]=4 320 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [0,1,1,0,0,0|1,0,1]=4 321 B9R0.35 CCOC(=O)C(=O)OCC CNP0247070.0 [0,1,1,0,0,0|1,0,0]=3 322 B9R0.37 CCCC(=O)C(=NO)CC CNP0136885.0 [0,1,1,0,0,0|0,0,1]=3 323 B9R0.1 C=C[C@@H](C)CCCC(=C)C CNP0304623.1 [0,1,1,0,0,0|2,0,0]=4 324 B9R0.1 CC(=CCCC(C)C)C=O CNP0199233.0 [0,1,1,0,0,0|1,0,1]=4 325 B9R0.1 CC(=CCC[C@@H](C)C=O)C CNP0150075.2 [0,1,1,0,0,0|1,0,1]=4 326 B9R0.1 CC(=CCC[C@H](C)C=O)C CNP0150075.1 [0,1,1,0,0,0|1,0,1]=4 327 B9R0.1 CC(C)CCC[C@@H](C)C=O CNP0422099.2 [0,1,1,0,0,0|1,0,1]=4 328 B9R0.1 CC(C)CCC[C@H](C)C=O CNP0422099.1 [0,1,1,0,0,0|1,0,1]=4 329 B9R0.1 CCC(C)CCCC(=O)O CNP0085923.0 [0,1,1,0,0,0|1,0,1]=4 330 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,1,1,0,0,0|2,0,0]=4 331 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [0,1,1,0,0,0|1,0,0]=3 332 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [0,1,1,0,0,0|1,0,0]=3 333 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,1,1,0,0,0|1,0,0]=3 334 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [0,1,1,0,0,0|2,0,0]=4 335 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,1,1,0,0,0|1,0,1]=4 336 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,1,1,0,0,0|0,0,2]=4 337 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,1,1,0,0,0|1,0,1]=4 338 B9R0.5 CCCCC[C@@H](C)CC=O CNP0044104.1 [0,1,1,0,0,0|1,0,1]=4 339 B9R0.5 CCCCC[C@H](C)CC=O CNP0044104.2 [0,1,1,0,0,0|1,0,1]=4 340 B9R0.5 CCCCC[C@H](C)NC=O CNP0539161.1 [0,1,1,0,0,0|1,0,1]=4 341 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [0,1,1,0,0,0|1,0,1]=4 342 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [0,1,1,0,0,0|1,0,1]=4 343 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [0,1,1,0,0,0|2,0,0]=4 344 B9R0.34 CCC[C@@H](O)CC(=O)OC CNP0044478.2 [0,1,1,0,0,0|2,0,0]=4 345 B9R0.34 CCC[C@H](O)CC(=O)OC CNP0044478.1 [0,1,1,0,0,0|2,0,0]=4 346 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [0,1,1,0,0,0|1,0,0]=3 347 B9R0.46 C=CC(=O)OCCOCC CNP0523688.0 [0,1,1,0,0,0|2,0,0]=4 348 B9R0.46 CCCCCC=C(C)C=O CNP0094185.0 [0,1,1,0,0,0|1,0,0]=3 349 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,1,1,0,0,0|1,0,1]=4 350 B9R0.46 CCCCCCC(=O)NN CNP0349501.0 [0,1,1,0,0,0|2,0,0]=4 351 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,1,1,0,0,0|2,0,0]=4 352 B9R0.46 CCCCCCC(C)C=O CNP0003353.0 [0,1,1,0,0,0|1,0,1]=4 353 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [0,1,1,0,0,0|1,0,1]=4 354 B9R0.47 C=C(C)C(=O)OCCCC CNP0245815.0 [0,1,1,0,0,0|2,0,0]=4 355 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [0,1,1,0,0,0|1,0,0]=3 356 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [0,1,1,0,0,0|0,0,0]=2 357 B9R0.47 CCCCCC(=O)C(Br)Br CNP0018433.0 [0,1,1,0,0,0|1,0,1]=4 358 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [0,1,1,0,0,0|0,0,2]=4 359 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [0,1,1,0,0,0|1,0,1]=4 360 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [0,1,1,0,0,0|1,0,1]=4 361 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [0,1,1,0,0,0|0,0,2]=4 362 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [0,1,1,0,0,0|0,0,2]=4 363 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [0,1,1,0,0,0|1,0,1]=4 364 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [0,1,1,0,0,0|0,0,2]=4 365 B9R0.47 CSCCCC(=O)C(=O)O CNP0309382.0 [0,1,1,0,0,0|1,0,0]=3 366 B9R0.47 NCCCCC(=O)C(=O)O CNP0416953.0 [0,1,1,0,0,0|1,0,0]=3 367 B9R0.47 N[C@@H](CCCC=O)C(=O)O CNP0258672.1 [0,1,1,0,0,0|1,0,0]=3 368 B9R0.50 CCCCC=C(C=O)CC CNP0377822.0 [0,1,1,0,0,0|1,0,1]=4 369 B9R1.2 CC1=CC(=NO)CCC1 CNP0170779.0 [1,1,0,0,0,0|0,0,2]=4 370 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [1,1,0,0,0,0|1,0,0]=3 371 B9R1.2 CNC1=CC(=O)CCC1 CNP0160818.0 [1,1,0,0,0,0|0,0,1]=3 372 B9R1.2 COC1=CC(=O)OCC1 CNP0195461.0 [1,1,0,0,0,0|1,0,1]=4 373 B9R1.2 CO[C@H]1CCCC(=O)N1 CNP0146387.1 [1,1,0,0,0,0|1,0,0]=3 374 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [1,1,0,0,0,0|0,0,1]=3 375 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [1,1,0,0,0,0|1,0,0]=3 376 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [1,1,0,0,0,0|1,0,0]=3 377 B9R1.66 CC1(C=C(CCC1)O)C CNP0082060.0 [1,1,0,0,0,0|0,0,1]=3 378 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [1,1,0,0,0,0|1,0,1]=4 379 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [1,1,0,0,0,0|1,0,1]=4 380 B9R1.69 CC1=CC(=O)OCC1O CNP0356511.0 [1,1,0,0,0,0|1,0,1]=4 381 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [1,1,0,0,0,0|1,0,1]=4 382 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [1,1,0,0,0,0|1,0,0]=3 383 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [1,1,0,0,0,0|1,0,0]=3 384 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [1,1,0,0,0,0|1,0,0]=3 385 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [1,1,0,0,0,0|1,0,0]=3 386 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [1,1,0,0,0,0|1,0,0]=3 387 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [1,1,0,0,0,0|0,0,1]=3 388 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [1,1,0,0,0,0|0,0,1]=3 389 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [1,1,0,0,0,0|0,0,1]=3 390 B9R1.15 N#CC1=C(CCCC1)N CNP0339241.0 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.15 O=C1COCCC1CO CNP0612158.0 [1,1,0,0,0,0|1,0,1]=4 392 B9R1.15 O=C1NCCC[C@H]1NO CNP0181841.1 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.40 CC1(CCC=CC1=O)O CNP0369589.0 [1,1,0,0,0,0|0,0,1]=3 394 B9R1.27 CC1=C(C(=O)CC1)CO CNP0391930.0 [0,1,0,0,1,0|0,0,2]=4 395 B9R1.27 CC1=C([C@H](CO1)C)C=O CNP0333364.1 [0,1,0,0,1,0|2,0,0]=4 396 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [0,1,0,0,1,0|1,0,1]=4 397 B9R1.27 COC1=C(CCC1=O)C CNP0163251.0 [0,1,0,0,1,0|0,0,2]=4 398 B9R1.27 C[C@@H]1CCC(=O)[C@@H]1CO CNP0207860.1 [0,1,0,0,1,0|0,0,2]=4 399 B9R1.27 C[C@H]1CCC(=O)[C@H]1CO CNP0207860.2 [0,1,0,0,1,0|0,0,2]=4 400 B9R1.37 CC1=C(C(=O)C[C@H]1C)O CNP0318056.1 [0,1,0,0,1,0|0,0,2]=4 401 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)C CNP0135578.1 [0,1,0,0,1,0|1,0,1]=4 402 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)O CNP0306768.1 [0,1,0,0,1,0|0,0,2]=4 403 B9R1.37 CC1=C(C(=O)[C@H](C1)O)C CNP0357100.1 [0,1,0,0,1,0|1,0,1]=4 404 B9R1.37 C[C@@H]1CC(=O)C(=O)[C@H]1C CNP0172113.1 [0,1,0,0,1,0|0,0,0]=2 405 B9R1.37 C[C@@H]1C[C@@H](C(=O)C1=O)C CNP0314513.1 [0,1,0,0,1,0|0,0,0]=2 406 B9R1.132 CCC1=C(C(=O)CC1)O CNP0259371.0 [0,1,0,0,1,0|0,0,2]=4 407 B9R1.132 CC[C@H]1CCC(=O)C1=O CNP0157827.1 [0,1,0,0,1,0|0,0,0]=2 408 B9R1.138 CC1=C(C(CC1)(C)C)C CNP0159239.0 [0,1,0,0,1,0|2,0,0]=4 409 B9R1.138 CN1C(=O)CCC1(C)C CNP0587825.0 [0,1,0,0,1,0|2,0,0]=4 410 B11R1.265 CC1CCCC(=NO)C1=NO CNP0175218.0 [0,2,0,0,0,0|0,0,2]=4 411 B11R1.32 CC1=C(C(=O)[C@@H]([C@@H](C1)O)O)O CNP0210280.1 [0,2,0,0,0,0|0,0,2]=4 412 B11R1.32 C[C@@H]1C(=O)C(=C[C@@H]([C@@H]1O)O)Cl CNP0145959.1 [0,2,0,0,0,0|1,0,1]=4 413 B11R1.32 C[C@@H]1C[C@@H]([C@@H]([C@@H](C1=O)O)O)O CNP0276020.1 [0,2,0,0,0,0|0,0,2]=4 414 B11R1.32 C[C@@H]1C[C@H]([C@H]([C@@H](C1=O)O)O)O CNP0276020.3 [0,2,0,0,0,0|0,0,2]=4 415 B11R1.32 C[C@H]1C(=O)C(=C[C@@H]([C@H]1O)O)Cl CNP0145959.2 [0,2,0,0,0,0|1,0,1]=4 416 B11R1.32 C[C@H]1C[C@@H]([C@@H]([C@H](C1=O)O)O)O CNP0276020.2 [0,2,0,0,0,0|0,0,2]=4 417 B11R1.325 CC1=C(C(C[C@@H](C1)O)(C)C)C CNP0426650.1 [0,2,0,0,0,0|2,0,0]=4 418 B11R1.325 CC1=C[C@H](CC(C1=O)(C)C)O CNP0178434.1 [0,2,0,0,0,0|1,0,1]=4 419 B11R1.325 C[C@@H]1C[C@H](CC(C1=O)(C)C)O CNP0422029.1 [0,2,0,0,0,0|1,0,1]=4 420 B11R1.1361 CC1=C(C(=O)CC(C1)(C)C)O CNP0048893.0 [0,2,0,0,0,0|0,0,2]=4 421 B11R1.511 CC1=CC[C@@H](C(C1=O)(C)C)C CNP0317384.1 [0,2,0,0,0,0|1,0,1]=4 422 B11R1.424 C=CC1=C(CCCC1(C)C)C CNP0165975.0 [0,2,0,0,0,0|2,0,0]=4 423 B11R1.424 CC1=C(C(CCC1)(C)C)C=O CNP0108027.0 [0,2,0,0,0,0|1,0,0]=3 424 B11R1.424 CC1=C(C(CCC1)(C)C)CO CNP0515887.0 [0,2,0,0,0,0|1,0,1]=4 425 B11R1.424 [13CH3][13C]1=[13C]([13C]([13CH2][13CH2][13CH2]1)([13CH3])[13CH3])[13CH]=O CNP0520746.0 [0,2,0,0,0,0|1,0,0]=3 426 B11R1.1322 CC1(CCC[C@@](C1=O)(C)O)C CNP0220798.1 [0,2,0,0,0,0|0,0,2]=4 427 B9R1.41 CC(=O)C1=C(CCC1)C CNP0084970.0 [0,0,1,1,0,0|1,0,1]=4 428 B9R1.41 CC(=O)C1=CCC[C@H]1C CNP0246388.1 [0,0,1,1,0,0|1,0,0]=3 429 B9R1.41 CC(C)[C@@H]1CCCC1=O CNP0314072.2 [0,0,1,1,0,0|1,0,1]=4 430 B9R1.41 CC(C)[C@H]1CCCC1=O CNP0314072.1 [0,0,1,1,0,0|1,0,1]=4 431 B9R1.110 O=C(O)C(=O)N1CCC1 CNP0339837.0 [0,0,1,1,0,0|2,0,0]=4 432 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,0,1,1,0,0|1,0,1]=4 433 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,0,1,1,0,0|2,0,0]=4 434 B9R1.11 CCC(=O)C1=NCCC1 CNP0077976.0 [0,0,1,1,0,0|1,0,0]=3 435 B9R1.1 CC1=CC[C@@H](CC1)C=O CNP0198350.1 [0,0,1,1,0,0|1,0,1]=4 436 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [0,0,1,1,0,0|1,0,1]=4 437 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [0,0,1,1,0,0|2,0,0]=4 438 B9R1.16 C=CCCCC1CC1=C CNP0302081.0 [0,0,1,1,0,0|2,0,0]=4 439 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,0,1,1,0,0|1,0,1]=4 440 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 CNP0573835.1 [1,0,0,1,0,0|0,0,1]=3 441 B9R2.109 O=C1CCCC2C1O2 CNP0592091.0 [1,0,0,1,0,0|1,0,1]=4 442 B9R2.109 O=C1NCCC2C1C2 CNP0426975.0 [1,0,0,1,0,0|1,0,1]=4 443 B9R2.19 C=C1CC[C@H]2C[C@@H]1C2 CNP0276296.1 [1,0,0,1,0,0|1,0,1]=4 444 B9R2.19 CC1=CC[C@H]2C[C@@H]1C2 CNP0261167.1 [1,0,0,1,0,0|1,0,0]=3 445 B9R2.19 O=C1CCC2CC1C2 CNP0336900.0 [1,0,0,1,0,0|0,0,1]=3 446 B11R2.130 C=C1C(=CC2CCC1C2)C CNP0502925.0 [0,0,0,1,0,1|2,0,0]=4 447 B11R2.130 C=C1CC2CCC(C2)C1=C CNP0612223.0 [0,0,0,1,0,1|2,0,0]=4 448 B11R2.538 CC1C(=O)C2C1CCN2C CNP0344754.0 [0,0,0,1,0,1|2,0,0]=4 449 B11R2.106 O=C1CCCC2=C1CCC2 CNP0190267.0 [0,1,0,1,0,0|1,0,1]=4 450 B11R2.106 O=C1CCCC2C1=CCC2 CNP0500543.0 [0,1,0,1,0,0|1,0,0]=3 451 B11R2.173 C=CC1=C2CCC2CCC1 CNP0379494.0 [0,1,0,1,0,0|2,0,0]=4 452 B11R2.173 C=CC1=C2CC[C@@H]2CCC1 CNP0379494.1 [0,1,0,1,0,0|2,0,0]=4 453 B11R2.738 CC1=C([C@@H]2C[C@H]1C[C@H]2O)C CNP0215265.1 [0,1,0,1,0,0|2,0,0]=4 454 B11R2.1053 C=C1C[C@]2(O[C@]2(C1=O)C)C CNP0317458.1 [0,1,0,1,0,0|2,0,0]=4 455 B11R2.204 CC1(C(=O)[C@H]2CC[C@@H]1C2)C CNP0388569.1 [0,1,0,1,0,0|1,0,1]=4 456 B11R2.533 CC1([C@@H]2CCC(=O)[C@H]1C2)C CNP0141735.2 [0,1,0,1,0,0|1,0,1]=4 457 B11R2.533 CC1([C@H]2CCC(=O)[C@@H]1C2)C CNP0141735.1 [0,1,0,1,0,0|1,0,1]=4 458 B11R2.533 CC1=C2CC(C2(C)C)CC1 CNP0596283.0 [0,1,0,1,0,0|2,0,0]=4 459 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [1,0,0,0,1,0|0,0,1]=3 460 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [1,0,0,0,1,0|1,0,1]=4 461 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [1,0,0,0,1,0|1,0,1]=4 462 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [1,0,0,0,1,0|0,1,1]=4 463 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [1,0,0,0,1,0|0,0,1]=3 464 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,0,0,0,1,0|0,0,1]=3 465 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [1,0,0,0,1,0|1,0,0]=3 466 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [1,0,0,0,1,0|1,0,1]=4 467 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [1,0,0,0,1,0|2,0,0]=4 468 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [1,0,0,0,1,0|1,0,0]=3 469 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [1,0,0,0,1,0|1,0,1]=4 470 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [1,0,0,0,1,0|1,0,0]=3 471 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [1,0,0,0,1,0|1,0,1]=4 472 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [1,0,0,0,1,0|2,0,0]=4 473 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [1,0,0,0,1,0|2,0,0]=4 474 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [1,0,0,0,1,0|1,0,1]=4 475 B7R1.4 CC1=CCCC1=O CNP0196465.0 [1,0,0,0,1,0|0,0,2]=4 476 B7R1.4 CC1COCC1=O CNP0611227.0 [1,0,0,0,1,0|1,0,0]=3 477 B7R1.4 CC1SCCC1=O CNP0395315.0 [1,0,0,0,1,0|1,0,0]=3 478 B7R1.4 CN1CCCC1=O CNP0203476.0 [1,0,0,0,1,0|1,0,0]=3 479 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [1,0,0,0,1,0|0,0,0]=2 480 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [1,0,0,0,1,0|1,0,1]=4 481 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [1,0,0,0,1,0|1,0,1]=4 482 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [1,0,0,0,1,0|0,0,2]=4 483 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [1,0,0,0,1,0|1,0,0]=3 484 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [1,0,0,0,1,0|1,0,0]=3 485 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [1,0,0,0,1,0|0,0,0]=2 486 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [1,0,0,0,1,0|1,0,1]=4 487 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [1,0,0,0,1,0|1,0,0]=3 488 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [1,0,0,0,1,0|1,0,0]=3 489 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [1,0,0,0,1,0|2,0,0]=4 490 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [1,0,0,0,1,0|2,0,0]=4 491 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [1,0,0,0,1,0|2,0,0]=4 492 B7R1.4 O=C1CCCC1=O CNP0086052.0 [1,0,0,0,1,0|1,0,1]=4 493 B7R1.4 O=C1COCC1S CNP0188638.0 [1,0,0,0,1,0|2,0,0]=4 494 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [1,0,0,0,1,0|2,0,0]=4 495 B9R0.42 CC[C@@H](C)/C=C(\C)/C(=O)C CNP0235309.1 [0,0,1,0,0,1|1,0,0]=3 496 B9R0.42 CC[C@@H](C)OC(=O)C(C)C CNP0424563.1 [0,0,1,0,0,1|1,0,1]=4 497 B9R0.42 CC[C@H](C)/C=C(\C)/C(=O)C CNP0235309.2 [0,0,1,0,0,1|1,0,0]=3 498 B9R0.42 COC(=O)C=C(C)C(C)C CNP0417930.0 [0,0,1,0,0,1|2,0,0]=4 499 B9R1.48 CC1=CC(=O)NCCC1 CNP0425910.0 [1,0,0,0,0,1|0,0,1]=3 500 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [1,0,0,0,0,1|0,0,1]=3 501 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [1,0,0,0,0,1|1,0,0]=3 502 B11R1.558 O=C1OCCCOC(=O)C1=O CNP0345641.0 [0,0,0,0,0,2|1,0,1]=4 503 B11R1.563 C[C@@H]1CCC[C@@H](CC(=O)O1)O CNP0103684.2 [0,0,0,0,0,2|0,0,2]=4 504 B11R1.563 C[C@H]1CCC[C@H](CC(=O)O1)O CNP0103684.1 [0,0,0,0,0,2|0,0,2]=4