0 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.7 C=CCCCCC(C)O CNP0002843.0 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.7 C=CCCCOC(=O)C CNP0186159.0 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.7 C=CCSSCC(=O)N CNP0415919.0 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.7 CC(=CCCCC=O)C CNP0514464.0 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.7 CC(=O)NCCCC=O CNP0083670.0 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.7 CC(C)OCCCCO CNP0461229.0 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [0,0,0,0,0,0|1,0,3]=4 11 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [0,0,0,0,0,0|1,0,2]=3 12 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [0,0,0,0,0,0|1,0,3]=4 14 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [0,0,0,0,0,0|1,0,3]=4 16 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [0,0,0,0,0,0|1,0,2]=3 17 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [0,0,0,0,0,0|0,0,2]=2 21 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.7 COCCCOC(=O)C CNP0076800.0 [0,0,0,0,0,0|1,0,1]=2 23 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [0,0,0,0,0,0|1,0,1]=2 24 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.7 NCCCCNC(=O)N CNP0414848.0 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [0,0,0,0,0,0|3,0,1]=4 27 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.1 C=CC=CCC=CC CNP0290357.0 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.1 C=CC=CCCC=C CNP0365770.0 [1,0,0,0,0,0|1,0,2]=4 30 B7R0.1 C=CCCCC=CC CNP0076717.0 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.1 C=CCCCCC=C CNP0118215.0 [1,0,0,0,0,0|1,0,1]=3 32 B7R0.1 C=CCCCCCC CNP0246919.0 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.1 C=CCCCCCO CNP0075956.0 [1,0,0,0,0,0|1,0,2]=4 34 B7R0.1 C=CCCCN=C=S CNP0144953.0 [1,0,0,0,0,0|1,1,1]=4 35 B7R0.1 C=CCCN=CC=S CNP0091885.0 [1,0,0,0,0,0|2,1,0]=4 36 B7R0.1 C=CCSSC=CC CNP0226902.0 [1,0,0,0,0,0|3,0,0]=4 37 B7R0.1 CC=CCCC=CC CNP0082120.0 [1,0,0,0,0,0|1,0,2]=4 38 B7R0.1 CC=CCCCCC CNP0199237.0 [1,0,0,0,0,0|1,0,2]=4 39 B7R0.1 CCCCCCC=O CNP0243745.0 [1,0,0,0,0,0|1,0,2]=4 40 B7R0.1 CCCCCOC=O CNP0294368.0 [1,0,0,0,0,0|0,0,2]=3 41 B7R0.1 CCCCCOCC CNP0520137.0 [1,0,0,0,0,0|0,0,3]=4 42 B7R0.1 CCCCCON=O CNP0511882.0 [1,0,0,0,0,0|1,0,2]=4 43 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [1,0,0,0,0,0|1,0,2]=4 44 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.4 C=CCCCC(C)C CNP0359236.0 [1,0,0,0,0,0|1,0,1]=3 46 B7R0.4 C=CCCNC(=S)N CNP0147601.0 [1,0,0,0,0,0|2,1,0]=4 47 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [1,0,0,0,0,0|1,0,0]=2 49 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.4 CC(=O)OCCCS CNP0325111.0 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [1,0,0,0,0,0|1,0,2]=4 52 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [1,0,0,0,0,0|1,0,2]=4 53 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,0,0,0,0,0|0,0,2]=3 54 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,0,0,0,0,0|1,0,2]=4 55 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,0,0,0,0,0|1,0,2]=4 56 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,0,0,0,0,0|1,0,2]=4 57 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,0,0,0,0,0|0,0,1]=2 58 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,0,0,0,0,0|1,0,1]=3 59 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,0,0,0,0,0|1,0,2]=4 60 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,0,0,0,0,0|1,0,1]=3 62 B7R0.4 COCCOC(=O)C CNP0278807.0 [1,0,0,0,0,0|1,0,1]=3 63 B7R0.4 N#CCCCC(=O)N CNP0321231.0 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.4 NCCCCC(=O)N CNP0001733.0 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [1,0,0,0,0,0|2,0,0]=3 69 B7R0.4 O=P(=O)OCCCO CNP0547512.0 [1,0,0,0,0,0|3,0,0]=4 70 B7R0.4 O=[N+]([O-])OCCCBr CNP0600488.0 [1,0,0,0,0,0|3,0,0]=4 71 B9R0.1 C=CC(=C)CCC=C(C)C CNP0241365.0 [0,1,0,0,0,0|2,0,1]=4 72 B9R0.1 C=CC(=C)CCCC(=C)C CNP0388953.0 [0,1,0,0,0,0|2,0,1]=4 73 B9R0.1 C=CC(C)CCCC(C)C CNP0584628.0 [0,1,0,0,0,0|2,0,1]=4 74 B9R0.1 C=C[C@@H](C)CCC=C(C)C CNP0168256.2 [0,1,0,0,0,0|2,0,0]=3 75 B9R0.1 C=C[C@@H](C)CCCC(=C)C CNP0304623.1 [0,1,0,0,0,0|2,0,0]=3 76 B9R0.1 C=C[C@H](C)CCC=C(C)C CNP0168256.1 [0,1,0,0,0,0|2,0,0]=3 77 B9R0.1 CC(=CCC[C@@H](C)C=O)C CNP0150075.2 [0,1,0,0,0,0|3,0,0]=4 78 B9R0.1 CC(=CCC[C@H](C)C=O)C CNP0150075.1 [0,1,0,0,0,0|3,0,0]=4 79 B9R0.2 C=CC=CCCC=C(C)C CNP0185816.0 [0,1,0,0,0,0|2,0,1]=4 80 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [0,1,0,0,0,0|1,0,0]=2 81 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [0,1,0,0,0,0|1,0,2]=4 82 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [0,1,0,0,0,0|1,0,2]=4 83 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [0,1,0,0,0,0|1,0,2]=4 84 B9R0.2 CC=CCCC=CC(=O)O CNP0585544.0 [0,1,0,0,0,0|2,0,1]=4 85 B9R0.2 CC=CCCCOC(=O)C CNP0248523.0 [0,1,0,0,0,0|0,0,0]=1 86 B9R0.2 CCC=CCCOC(=O)C CNP0265323.0 [0,1,0,0,0,0|0,0,2]=3 87 B9R0.2 CCCC=CCOC(=O)C CNP0181998.0 [0,1,0,0,0,0|0,0,3]=4 88 B9R0.2 CCCCC=COC(=O)C CNP0481499.0 [0,1,0,0,0,0|0,0,3]=4 89 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [0,1,0,0,0,0|1,0,2]=4 90 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [0,1,0,0,0,0|1,0,2]=4 91 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [0,1,0,0,0,0|0,0,2]=3 92 B9R0.4 C=CCC[C@@H](C)C=C(C)C CNP0076360.1 [0,1,0,0,0,0|2,0,0]=3 93 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [0,1,0,0,0,0|0,0,2]=3 94 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [0,1,0,0,0,0|1,0,0]=2 95 B9R0.46 CCCCCC=C(C)C=O CNP0094185.0 [0,1,0,0,0,0|1,0,2]=4 96 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,1,0,0,0,0|1,0,2]=4 97 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,1,0,0,0,0|1,0,2]=4 98 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [0,1,0,0,0,0|0,0,2]=3 99 B9R0.46 CSCCCOC(=O)CS CNP0575609.0 [0,1,0,0,0,0|1,0,1]=3 100 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [0,1,0,0,0,0|1,0,2]=4 101 B9R0.47 C=CCSC[C@@H](N)C(=O)O CNP0206886.1 [0,1,0,0,0,0|3,0,0]=4 102 B9R0.47 C=CCSC[C@H](N)C(=O)O CNP0206886.2 [0,1,0,0,0,0|3,0,0]=4 103 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [0,1,0,0,0,0|1,0,2]=4 104 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [0,1,0,0,0,0|1,0,2]=4 105 B9R0.47 N[C@@H](CCCC=O)C(=O)O CNP0258672.1 [0,1,0,0,0,0|3,0,0]=4 106 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [0,1,0,0,0,0|0,0,3]=4 107 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [0,1,0,0,0,0|1,0,2]=4 108 B9R0.55 C=C(C)CCCC=C(C)C CNP0556185.0 [0,1,0,0,0,0|2,0,0]=3 109 B9R0.55 CC(=O)CCCCC(=O)O CNP0590711.0 [0,1,0,0,0,0|2,0,0]=3 110 B9R0.55 CC(=O)CCCCC(C)C CNP0596169.0 [0,1,0,0,0,0|1,0,2]=4 111 B9R0.55 CC(=O)CCCNC(=O)C CNP0404524.0 [0,1,0,0,0,0|1,0,1]=3 112 B9R0.55 CC(=O)NCCCC(=O)O CNP0201600.0 [0,1,0,0,0,0|2,0,0]=3 113 B9R0.55 CC(=O)NCCNC(=O)C CNP0287260.0 [0,1,0,0,0,0|2,0,1]=4 114 B9R0.55 CC(=O)OCCC[N+](=O)[O-] CNP0400993.0 [0,1,0,0,0,0|2,0,0]=3 115 B9R0.55 NC(=O)CCCCC(=O)N CNP0104382.0 [0,1,0,0,0,0|3,0,0]=4 116 B9R0.55 NC(=O)NCCCC(=O)O CNP0167058.0 [0,1,0,0,0,0|3,0,0]=4 117 B9R0.55 O=C(Cl)CCCCC(=O)Cl CNP0235392.0 [0,1,0,0,0,0|3,0,0]=4 118 B9R0.55 O=C(O)CCCCC(=O)O CNP0296801.0 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [0,0,0,1,0,0|1,0,1]=3 120 B9R1.6 CC(=O)C1=CCCCN1 CNP0423535.0 [0,0,0,1,0,0|2,0,1]=4 121 B9R1.6 CC(=O)C1=CSCCN1 CNP0003045.0 [0,0,0,1,0,0|3,0,0]=4 122 B9R1.6 CC(=O)C1=NCCCC1 CNP0342346.0 [0,0,0,1,0,0|2,0,1]=4 123 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [0,0,0,1,0,0|1,0,2]=4 124 B9R1.6 CC(=O)N1CCCCC1 CNP0165296.0 [0,0,0,1,0,0|1,0,2]=4 125 B9R1.6 O=C(O)C1=CCCCC1 CNP0146896.0 [0,0,0,1,0,0|2,0,1]=4 126 B9R1.6 O=C(O)[C@@H]1CCCC=N1 CNP0037714.1 [0,0,0,1,0,0|3,0,0]=4 127 B9R1.7 C=CC[C@H]1CN=C(O1)S CNP0609282.1 [0,0,0,1,0,0|2,0,1]=4 128 B9R1.7 C=CC[C@H]1CNC(=S)O1 CNP0146659.1 [0,0,0,1,0,0|2,0,1]=4 129 B9R1.13 CC(=O)C[C@@H]1CCCN1 CNP0147247.2 [0,0,0,1,0,0|2,0,1]=4 130 B9R1.13 CC(=O)C[C@H]1CCCN1 CNP0147247.1 [0,0,0,1,0,0|2,0,1]=4 131 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [0,0,0,1,0,0|1,0,2]=4 132 B9R1.13 O=C(O)C[C@@H]1C=CCC1 CNP0371740.1 [0,0,0,1,0,0|2,0,0]=3 133 B9R1.13 O=C(O)C[C@H]1C=CCC1 CNP0371740.2 [0,0,0,1,0,0|2,0,0]=3 134 B9R1.16 C=CCCCC1CC1=C CNP0302081.0 [0,0,0,1,0,0|2,0,0]=3 135 B9R1.41 CC(=O)C1=C(CCC1)C CNP0084970.0 [0,0,0,1,0,0|1,0,1]=3 136 B9R1.41 CC(=O)C1CCC=C1C CNP0610486.0 [0,0,0,1,0,0|1,0,2]=4 137 B9R1.41 CC(=O)C1CCOC1=O CNP0411848.0 [0,0,0,1,0,0|3,0,0]=4 138 B9R1.41 NC(=O)N1CCCC1=O CNP0193817.0 [0,0,0,1,0,0|3,0,0]=4 139 B9R1.41 O=C(O)N1CCCC1=O CNP0088387.0 [0,0,0,1,0,0|3,0,0]=4 140 B9R1.48 CC1=CC(=O)NCCC1 CNP0425910.0 [0,0,0,1,0,0|1,0,2]=4 141 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,0,0,1,0,0|1,0,2]=4 142 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [0,0,0,1,0,0|2,0,0]=3 143 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [0,0,0,1,0,0|3,0,0]=4 144 B9R1.48 O=C1CCCNC(=O)N1 CNP0110595.0 [0,0,0,1,0,0|3,0,0]=4 145 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,0,0,1,0,0|1,0,2]=4 146 B9R1.83 C=CCCCC[C@@H]1CO1 CNP0393072.1 [0,0,0,1,0,0|1,0,2]=4 147 B6R0.6 C=CCCC=CC CNP0426808.0 [2,0,0,0,0,0|0,0,1]=3 148 B6R0.6 C=CCCCC#N CNP0287374.0 [2,0,0,0,0,0|1,0,1]=4 149 B6R0.6 C=CCCCC=C CNP0115869.0 [2,0,0,0,0,0|0,0,1]=3 150 B6R0.6 C=CCCCCC CNP0226691.0 [2,0,0,0,0,0|0,0,1]=3 151 B6R0.6 C=CCCCCO CNP0162421.0 [2,0,0,0,0,0|0,0,2]=4 152 B6R0.6 C=CCNCC=C CNP0443858.0 [2,0,0,0,0,0|1,0,1]=4 153 B6R0.6 C=CCSCC=C CNP0303954.0 [2,0,0,0,0,0|1,0,1]=4 154 B6R0.6 C=CCSCCC CNP0150756.0 [2,0,0,0,0,0|1,0,1]=4 155 B6R0.6 C=COCCCC CNP0077236.0 [2,0,0,0,0,0|0,0,2]=4 156 B6R0.6 CC=CCCC=O CNP0056069.0 [2,0,0,0,0,0|0,0,2]=4 157 B6R0.6 CC=CCCCC CNP0158475.0 [2,0,0,0,0,0|1,0,1]=4 158 B6R0.6 CC=CCCCO CNP0309139.0 [2,0,0,0,0,0|2,0,0]=4 159 B6R0.6 CCCCCC=O CNP0304790.0 [2,0,0,0,0,0|0,0,2]=4 160 B6R0.6 CCCCCOC CNP0358174.0 [2,0,0,0,0,0|0,0,2]=4 161 B6R0.6 CCCCNC=O CNP0082472.0 [2,0,0,0,0,0|1,0,1]=4 162 B6R0.6 CCCCOC=O CNP0282325.0 [2,0,0,0,0,0|0,0,1]=3 163 B6R0.6 CCCCON=O CNP0003508.0 [2,0,0,0,0,0|1,0,1]=4 164 B6R0.6 CCOCCCO CNP0304052.0 [2,0,0,0,0,0|1,0,1]=4 165 B6R0.6 CCOCCCS CNP0267296.0 [2,0,0,0,0,0|1,0,1]=4 166 B6R0.6 COCCCCO CNP0570905.0 [2,0,0,0,0,0|1,0,1]=4 167 B6R0.6 CSCCCC=O CNP0002814.0 [2,0,0,0,0,0|1,0,1]=4 168 B6R0.6 NCCCCC=O CNP0083786.0 [2,0,0,0,0,0|1,0,1]=4 169 B6R0.6 O=CCCCC=O CNP0204417.0 [2,0,0,0,0,0|1,0,0]=3 170 B6R0.4 C=CCCC(=O)C CNP0610109.0 [2,0,0,0,0,0|0,0,0]=2 171 B6R0.4 C=CCCC(=O)N CNP0118917.0 [2,0,0,0,0,0|1,0,0]=3 172 B6R0.4 C=CCCC(=O)O CNP0003359.0 [2,0,0,0,0,0|1,0,0]=3 173 B6R0.4 C=CCCC(C)O CNP0519217.0 [2,0,0,0,0,0|0,0,2]=4 174 B6R0.4 C=CCOC(=O)C CNP0175648.0 [2,0,0,0,0,0|0,0,0]=2 175 B6R0.4 C=CCOS(=S)C CNP0604033.0 [2,0,0,0,0,0|1,1,0]=4 176 B6R0.4 C=CCSC(=O)C CNP0301401.0 [2,0,0,0,0,0|0,1,0]=3 177 B6R0.4 CC(=O)CCC=O CNP0261239.0 [2,0,0,0,0,0|1,0,0]=3 178 B6R0.4 CC(=O)NCCN CNP0182526.0 [2,0,0,0,0,0|2,0,0]=4 179 B6R0.4 CC(=O)NCCO CNP0304709.0 [2,0,0,0,0,0|2,0,0]=4 180 B6R0.4 CC(=O)NCCS CNP0516453.0 [2,0,0,0,0,0|2,0,0]=4 181 B6R0.4 CC(=O)OCCI CNP0274212.0 [2,0,0,0,0,0|1,0,0]=3 182 B6R0.4 CC(=O)OCCN CNP0165405.0 [2,0,0,0,0,0|1,0,0]=3 183 B6R0.4 CC(=O)OCCO CNP0589275.0 [2,0,0,0,0,0|1,0,0]=3 184 B6R0.4 CCC=CC(=O)C CNP0129352.0 [2,0,0,0,0,0|1,0,1]=4 185 B6R0.4 CCCC=C(C)O CNP0268446.0 [2,0,0,0,0,0|1,0,1]=4 186 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|0,0,1]=3 187 B6R0.4 CCCCC(=O)N CNP0248834.0 [2,0,0,0,0,0|1,0,1]=4 188 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|1,0,1]=4 189 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|1,0,1]=4 190 B6R0.4 CCCNC(=O)C CNP0115400.0 [2,0,0,0,0,0|1,0,0]=3 191 B6R0.4 CCCOC(=O)C CNP0274142.0 [2,0,0,0,0,0|0,0,0]=2 192 B6R0.4 CCCSC(=O)C CNP0076500.0 [2,0,0,0,0,0|0,1,0]=3 193 B6R0.4 CSCCC(=O)C CNP0353152.0 [2,0,0,0,0,0|1,0,1]=4 194 B6R0.4 CSCSC(=O)C CNP0232862.0 [2,0,0,0,0,0|1,1,0]=4 195 B6R0.4 NC(=O)CCCO CNP0573523.0 [2,0,0,0,0,0|2,0,0]=4 196 B6R0.4 NCCCC(=O)O CNP0116256.0 [2,0,0,0,0,0|2,0,0]=4 197 B6R0.4 O=C(O)CCCO CNP0236331.0 [2,0,0,0,0,0|2,0,0]=4 198 B6R0.4 O=C([O-])CCCO CNP0492590.0 [2,0,0,0,0,0|2,0,0]=4 199 B6R0.4 O=CCCC(=O)O CNP0318740.0 [2,0,0,0,0,0|2,0,0]=4 200 B8R0.1 C=CCC(O)CCCC CNP0566566.0 [1,1,0,0,0,0|1,0,1]=4 201 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [1,1,0,0,0,0|0,0,2]=4 202 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [1,1,0,0,0,0|1,0,1]=4 203 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [1,1,0,0,0,0|1,0,1]=4 204 B8R0.4 C=CCCCCCC=C CNP0320273.0 [1,1,0,0,0,0|1,0,1]=4 205 B8R0.4 C=CCCCCCC=O CNP0184185.0 [1,1,0,0,0,0|1,0,0]=3 206 B8R0.4 C=CCCCCCCC CNP0317850.0 [1,1,0,0,0,0|1,0,1]=4 207 B8R0.4 C=CCCCCCCO CNP0610530.0 [1,1,0,0,0,0|1,0,1]=4 208 B8R0.4 C=CCCCN=CC=S CNP0418197.0 [1,1,0,0,0,0|1,0,1]=4 209 B8R0.4 CC=CCCC=CC=O CNP0002598.0 [1,1,0,0,0,0|1,0,1]=4 210 B8R0.4 CC=CCCCCC=O CNP0181844.0 [1,1,0,0,0,0|1,0,0]=3 211 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,1,0,0,0,0|1,0,1]=4 212 B8R0.4 CC=CCSCC=CC CNP0134379.0 [1,1,0,0,0,0|2,0,0]=4 213 B8R0.4 CCC=CCCCC=O CNP0002614.0 [1,1,0,0,0,0|2,0,0]=4 214 B8R0.4 CCC=CCCOC=O CNP0053041.0 [1,1,0,0,0,0|0,0,2]=4 215 B8R0.4 CCCCCCC=CO CNP0605778.0 [1,1,0,0,0,0|1,0,1]=4 216 B8R0.4 CCCCCCOC=O CNP0086211.0 [1,1,0,0,0,0|0,0,2]=4 217 B8R0.6 C=CC(O)CCC=CC CNP0288913.0 [1,1,0,0,0,0|1,0,0]=3 218 B8R0.6 C=CCCCC(=C)C=C CNP0546296.0 [1,1,0,0,0,0|1,0,1]=4 219 B8R0.6 C=CCCC[C@H](O)C=C CNP0223839.1 [1,1,0,0,0,0|1,0,1]=4 220 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [1,1,0,0,0,0|1,0,1]=4 221 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [1,1,0,0,0,0|1,0,1]=4 222 B8R0.5 C=CC[C@@H](O)C[C@@H](C)O CNP0069442.4 [1,1,0,0,0,0|0,0,2]=4 223 B8R0.5 C=CC[C@@H](O)C[C@H](C)O CNP0069442.3 [1,1,0,0,0,0|0,0,2]=4 224 B8R0.5 C=CC[C@H](O)C[C@@H](C)O CNP0069442.1 [1,1,0,0,0,0|0,0,2]=4 225 B8R0.5 C=CC[C@H](O)C[C@H](C)O CNP0069442.2 [1,1,0,0,0,0|0,0,2]=4 226 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [1,1,0,0,0,0|0,0,2]=4 227 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [1,1,0,0,0,0|0,0,1]=3 228 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [1,1,0,0,0,0|1,0,1]=4 229 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [1,1,0,0,0,0|0,0,2]=4 230 B8R0.8 C=CSC[C@H](N)C(=O)O CNP0135574.1 [1,1,0,0,0,0|2,0,0]=4 231 B8R0.8 CC(=O)N(O)CCCN CNP0598516.0 [1,1,0,0,0,0|2,0,0]=4 232 B8R0.8 CC(=O)[C@@H](C)CCC#N CNP0043042.1 [1,1,0,0,0,0|1,0,1]=4 233 B8R0.8 CC(=O)[C@H](C)CCC#N CNP0043042.2 [1,1,0,0,0,0|1,0,1]=4 234 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [1,1,0,0,0,0|1,0,1]=4 235 B8R0.8 N[C@@H](CCC=O)C(=O)O CNP0085564.1 [1,1,0,0,0,0|2,0,0]=4 236 B8R0.9 C=CC(C)CCC(=C)C CNP0517819.0 [1,1,0,0,0,0|1,0,0]=3 237 B8R0.9 C=CC(C)CCC(=O)C CNP0480823.0 [1,1,0,0,0,0|0,0,0]=2 238 B8R0.9 C=C[C@@H](N)CCC(=O)O CNP0210876.2 [1,1,0,0,0,0|1,0,0]=3 239 B8R0.9 C=C[C@H](N)CCC(=O)O CNP0210876.1 [1,1,0,0,0,0|1,0,0]=3 240 B8R0.9 CC(=O)OC[C@@H](O)CO CNP0178275.2 [1,1,0,0,0,0|1,0,0]=3 241 B8R0.9 CC(=O)OC[C@H](O)CO CNP0178275.1 [1,1,0,0,0,0|1,0,0]=3 242 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [1,1,0,0,0,0|0,0,2]=4 243 B8R0.9 CC=C(C)COC(=O)C CNP0535362.0 [1,1,0,0,0,0|0,0,2]=4 244 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [1,1,0,0,0,0|0,0,2]=4 245 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [1,1,0,0,0,0|0,0,2]=4 246 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [1,1,0,0,0,0|0,0,1]=3 247 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [1,1,0,0,0,0|0,0,1]=3 248 B8R0.9 N[C@H](C=O)CCC(=O)O CNP0108280.1 [1,1,0,0,0,0|2,0,0]=4 249 B8R0.21 CCCCOS(=O)(=O)C CNP0083521.0 [1,1,0,0,0,0|1,0,1]=4 250 B8R0.21 CCCCO[As](=O)(C)C CNP0018326.0 [1,1,0,0,0,0|1,0,1]=4 251 B8R0.28 C=C(C)CCC=C(C)C CNP0075848.0 [1,1,0,0,0,0|1,0,1]=4 252 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [1,1,0,0,0,0|0,0,0]=2 253 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [1,1,0,0,0,0|0,0,2]=4 254 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [1,1,0,0,0,0|0,0,0]=2 255 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [1,1,0,0,0,0|0,0,2]=4 256 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [1,1,0,0,0,0|0,0,1]=3 257 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [1,1,0,0,0,0|1,0,0]=3 258 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [1,1,0,0,0,0|0,0,2]=4 259 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [1,1,0,0,0,0|0,0,1]=3 260 B8R0.28 CC(=O)NCCC(=O)O CNP0454986.0 [1,1,0,0,0,0|2,0,0]=4 261 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [1,1,0,0,0,0|1,0,1]=4 262 B8R0.28 CC(=O)OCC=C(C)C CNP0164397.0 [1,1,0,0,0,0|0,0,2]=4 263 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [1,1,0,0,0,0|0,0,1]=3 264 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [1,1,0,0,0,0|0,0,1]=3 265 B8R0.28 CC(=S)OCCC(C)C CNP0547891.0 [1,1,0,0,0,0|0,1,1]=4 266 B8R0.28 NC(=O)CCCC(=O)N CNP0251512.0 [1,1,0,0,0,0|2,0,0]=4 267 B8R0.28 O=C(O)CCCC(=O)O CNP0256820.0 [1,1,0,0,0,0|2,0,0]=4 268 B10R0.3 C=CCC(C)CCC=C(C)C CNP0086074.0 [0,2,0,0,0,0|2,0,0]=4 269 B10R0.3 CCCC(S)CCOC(=O)C CNP0028770.0 [0,2,0,0,0,0|0,0,2]=4 270 B10R0.65 C=CC(C)(C)CC=CC(=O)C CNP0409777.0 [0,2,0,0,0,0|1,0,1]=4 271 B10R0.65 C=CC(C)(C)CCC=C(C)C CNP0174844.0 [0,2,0,0,0,0|2,0,0]=4 272 B10R0.65 C=C[C@@](C)(O)C/C=C/C(=O)C CNP0367283.1 [0,2,0,0,0,0|1,0,1]=4 273 B10R0.65 C=C[C@@](C)(O)CCC=C(C)C CNP0373115.2 [0,2,0,0,0,0|2,0,0]=4 274 B10R0.65 C=C[C@@](C)(O)CCCC(=C)C CNP0283677.1 [0,2,0,0,0,0|2,0,0]=4 275 B10R0.65 C=C[C@](C)(O)C/C=C/C(=O)C CNP0367283.2 [0,2,0,0,0,0|1,0,1]=4 276 B10R0.65 C=C[C@](C)(O)CCC=C(C)C CNP0373115.1 [0,2,0,0,0,0|2,0,0]=4 277 B10R0.77 C=CC(CO)CCC=C(C)C CNP0602563.0 [0,2,0,0,0,0|2,0,0]=4 278 B10R0.82 C=C[C@@H](C)CCC(=O)C(=C)C CNP0345771.1 [0,2,0,0,0,0|2,0,0]=4 279 B10R0.98 CC(=O)NCCC(N)C(=O)O CNP0147930.0 [0,2,0,0,0,0|2,0,0]=4 280 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O CNP0147930.1 [0,2,0,0,0,0|2,0,0]=4 281 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O CNP0415355.1 [0,2,0,0,0,0|1,0,0]=3 282 B10R0.4 C=CCCCCCCC(=O)C CNP0610554.0 [0,2,0,0,0,0|1,0,0]=3 283 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [0,2,0,0,0,0|2,0,0]=4 284 B10R0.4 CC=CCCCCCC(=O)N CNP0547427.0 [0,2,0,0,0,0|2,0,0]=4 285 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [0,2,0,0,0,0|2,0,0]=4 286 B10R0.4 CCCC=CCCOC(=O)C CNP0002801.0 [0,2,0,0,0,0|0,0,2]=4 287 B10R0.4 CCCCC=CCOC(=O)C CNP0160804.0 [0,2,0,0,0,0|0,0,2]=4 288 B10R0.4 CCCCCC=COC(=O)C CNP0612173.0 [0,2,0,0,0,0|0,0,2]=4 289 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [0,2,0,0,0,0|0,0,2]=4 290 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [0,2,0,0,0,0|0,0,2]=4 291 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [0,2,0,0,0,0|0,0,2]=4 292 B10R0.55 C=CC(=O)CCCOC(=O)C CNP0357217.0 [0,2,0,0,0,0|0,0,0]=2 293 B10R0.55 C=C[C@@H](O)CCCCC(=O)O CNP0323784.1 [0,2,0,0,0,0|2,0,0]=4 294 B10R0.55 CC(=O)OCCCC(=O)CO CNP0357573.0 [0,2,0,0,0,0|0,0,1]=3 295 B10R0.55 COC(=O)CCCCC(=O)C CNP0524250.0 [0,2,0,0,0,0|1,0,1]=4 296 B10R0.55 COC(=O)CCCCC(=O)O CNP0188266.0 [0,2,0,0,0,0|2,0,0]=4 297 B10R0.74 C=CCC=CCCC(=O)OC CNP0061280.0 [0,2,0,0,0,0|1,0,1]=4 298 B10R0.74 CCC=CCCOC(=O)CC CNP0215397.0 [0,2,0,0,0,0|0,0,2]=4 299 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,2,0,0,0,0|0,0,2]=4 300 B10R0.75 CCCCCOC(=O)C(C)C CNP0172576.0 [0,2,0,0,0,0|0,0,2]=4 301 B10R0.78 C=CCOC(=O)CCC(=O)C CNP0609110.0 [0,2,0,0,0,0|1,0,1]=4 302 B10R0.97 CC(=O)CCSCCC(=O)C CNP0272000.0 [0,2,0,0,0,0|1,0,1]=4 303 B10R0.97 CC(=O)NCCCCC(=O)O CNP0043197.0 [0,2,0,0,0,0|1,0,1]=4 304 B10R0.97 CC(=O)OCCCOC(=O)C CNP0501708.0 [0,2,0,0,0,0|0,0,1]=3 305 B10R0.96 CC(=O)OCC(C)OC(=O)C CNP0403199.0 [0,2,0,0,0,0|1,0,1]=4 306 B10R0.1 C=CCCCOC(=O)CCC CNP0608395.0 [0,2,0,0,0,0|0,0,0]=2 307 B10R0.1 CCCC(=O)OCCCSC CNP0006534.0 [0,2,0,0,0,0|1,0,1]=4 308 B10R0.1 CCCCCOC(=O)CCC CNP0232104.0 [0,2,0,0,0,0|0,0,2]=4 309 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [1,0,0,1,0,0|1,0,1]=4 310 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [1,0,0,1,0,0|1,0,1]=4 311 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [1,0,0,1,0,0|1,0,1]=4 312 B8R1.2 O=CC1CC=CCC1 CNP0106039.0 [1,0,0,1,0,0|2,0,0]=4 313 B8R1.5 C=C1CCCCC1C CNP0595985.0 [1,0,0,1,0,0|1,0,1]=4 314 B8R1.5 CC1CCCOC1=O CNP0340524.0 [1,0,0,1,0,0|0,0,2]=4 315 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [1,0,0,1,0,0|2,0,0]=4 316 B8R1.8 O=CCC1CC=CC1 CNP0086435.0 [1,0,0,1,0,0|2,0,0]=4 317 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [1,0,0,1,0,0|2,0,0]=4 318 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [1,0,0,1,0,0|0,0,2]=4 319 B8R1.49 C1=CCCCCC=C1 CNP0084968.0 [1,0,0,1,0,0|1,0,1]=4 320 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [1,0,0,1,0,0|1,0,1]=4 321 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [1,0,0,1,0,0|0,0,1]=3 322 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [1,0,0,1,0,0|1,0,1]=4 323 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [1,0,0,1,0,0|1,0,1]=4 324 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [1,0,0,1,0,0|0,0,2]=4 325 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [1,0,0,1,0,0|2,0,0]=4 326 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [1,0,0,1,0,0|0,0,2]=4 327 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [1,0,0,1,0,0|0,0,2]=4 328 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [1,0,0,1,0,0|0,0,1]=3 329 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|0,0,2]=4 330 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|0,0,2]=4 331 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [1,0,0,1,0,0|1,0,1]=4 332 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [1,0,0,1,0,0|1,0,1]=4 333 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [1,0,0,1,0,0|2,0,0]=4 334 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [1,0,0,1,0,0|2,0,0]=4 335 B8R1.7 CC(=O)C1CC=CO1 CNP0077183.0 [1,0,0,1,0,0|1,0,1]=4 336 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [1,0,0,1,0,0|1,0,1]=4 337 B8R1.7 CC(=O)C1CCSS1 CNP0238288.0 [1,0,0,1,0,0|2,0,0]=4 338 B8R1.7 CC(=O)N1C=CCC1 CNP0356664.0 [1,0,0,1,0,0|1,0,0]=3 339 B8R1.7 O=C(O)C1C=CCN1 CNP0207139.0 [1,0,0,1,0,0|2,0,0]=4 340 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [1,0,0,1,0,0|1,0,0]=3 341 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [1,0,0,1,0,0|2,0,0]=4 342 B8R1.20 C=C1C[C@H]1CC(=O)O CNP0279840.1 [1,0,0,1,0,0|1,0,0]=3 343 B8R1.72 C[C@@]1(C=CCCC1)O CNP0241347.2 [1,0,0,1,0,0|0,0,2]=4 344 B8R1.72 C[C@]1(C=CCCC1)O CNP0241347.1 [1,0,0,1,0,0|0,0,2]=4 345 B10R1.13 C=C(C)[C@H]1C=C[C@@H](CC1)C CNP0320205.1 [0,1,0,1,0,0|2,0,0]=4 346 B10R1.13 CC(=C1C=C[C@@H](CC1)C)C CNP0405385.2 [0,1,0,1,0,0|2,0,0]=4 347 B10R1.13 CC(=C1C=C[C@H](CC1)C)C CNP0405385.1 [0,1,0,1,0,0|2,0,0]=4 348 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [0,1,0,1,0,0|1,0,1]=4 349 B10R1.13 CC(=O)C1=CC[C@H](CC1)O CNP0282995.1 [0,1,0,1,0,0|1,0,1]=4 350 B10R1.13 CC(=O)[C@H]1C=C[C@@H](CC1)C CNP0155762.1 [0,1,0,1,0,0|1,0,0]=3 351 B10R1.54 CC(=O)O[C@H]1CNC(=O)C1 CNP0109144.1 [0,1,0,1,0,0|1,0,1]=4 352 B10R1.54 O=C(O)C[C@H]1COC(=O)C1 CNP0303223.1 [0,1,0,1,0,0|1,0,0]=3 353 B10R1.485 C=C[C@@]1(CCOC(=O)C1)O CNP0311946.1 [0,1,0,1,0,0|0,0,0]=2 354 B10R1.485 C=C[C@]1(CCOC(=O)C1)O CNP0311946.2 [0,1,0,1,0,0|0,0,0]=2 355 B10R1.10 CC=CC1=CC(=O)OCC1 CNP0430897.0 [0,1,0,1,0,0|0,0,2]=4 356 B10R1.10 CCC=C1CCOC(=O)C1 CNP0206629.0 [0,1,0,1,0,0|0,0,2]=4 357 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,1,0,1,0,0|0,0,2]=4 358 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,1,0,1,0,0|0,0,2]=4 359 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,1,0,1,0,0|0,0,2]=4 360 B10R1.18 CC(=O)OC1=CCC=CO1 CNP0436618.0 [0,1,0,1,0,0|0,0,2]=4 361 B10R1.18 CC(=O)OC1CCCCC1 CNP0044081.0 [0,1,0,1,0,0|0,0,2]=4 362 B10R1.39 CC(=O)C1=C(CCC1)C#N CNP0323286.0 [0,1,0,1,0,0|1,0,1]=4 363 B10R1.61 C=C(C)C1CCCCC1=C CNP0547861.0 [0,1,0,1,0,0|2,0,0]=4 364 B10R1.64 CC(=O)NC1SCCC1=O CNP0498587.0 [0,1,0,1,0,0|2,0,0]=4 365 B10R1.64 CC(=O)N[C@@H]1CCSC1=O CNP0583672.2 [0,1,0,1,0,0|2,0,0]=4 366 B10R1.64 CC(=O)N[C@H]1CCOC1=O CNP0535066.1 [0,1,0,1,0,0|2,0,0]=4 367 B10R1.64 CC(=O)N[C@H]1CCSC1=O CNP0583672.1 [0,1,0,1,0,0|2,0,0]=4 368 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [0,1,0,1,0,0|0,0,2]=4 369 B10R1.66 CC(=O)OC[C@@H]1CCCO1 CNP0114315.1 [0,1,0,1,0,0|0,0,2]=4 370 B10R1.66 CC(=O)OC[C@H]1CCCO1 CNP0114315.2 [0,1,0,1,0,0|0,0,2]=4 371 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,1,0,1,0,0|1,0,0]=3 372 B10R1.15 COC(=O)C1C=CCCC1 CNP0071902.0 [0,1,0,1,0,0|1,0,0]=3 373 B10R1.71 O=C1CCCNC(=O)CN1 CNP0188446.0 [0,1,0,1,0,0|2,0,0]=4 374 B10R1.71 O=C1COC(=O)CCCN1 CNP0119732.0 [0,1,0,1,0,0|2,0,0]=4 375 B10R1.23 N[C@@H](C(=O)O)[C@H]1C=CCC1 CNP0279143.1 [0,1,0,1,0,0|2,0,0]=4 376 B10R1.23 N[C@H](C(=O)O)[C@H]1C=CCC1 CNP0279143.2 [0,1,0,1,0,0|2,0,0]=4 377 B10R1.113 C=C(C)[C@@H]1C=C(CCC1)C CNP0351688.1 [0,1,0,1,0,0|2,0,0]=4 378 B10R1.113 C=C(C)[C@@H]1C=CC[C@H](C1)C CNP0495350.1 [0,1,0,1,0,0|2,0,0]=4 379 B10R1.113 C=C(C)[C@@H]1CCC=C(C1)C CNP0173733.2 [0,1,0,1,0,0|2,0,0]=4 380 B10R1.113 C=C(C)[C@H]1C=C(CCC1)C CNP0351688.2 [0,1,0,1,0,0|2,0,0]=4 381 B10R1.113 C=C(C)[C@H]1CCC=C(C1)C CNP0173733.1 [0,1,0,1,0,0|2,0,0]=4 382 B10R1.113 CC1=CC(=C(C)C)CCC1 CNP0149803.0 [0,1,0,1,0,0|2,0,0]=4 383 B10R1.113 O=C1CCCC(C1)C(=O)O CNP0612018.0 [0,1,0,1,0,0|2,0,0]=4 384 B10R1.190 C=C1CC1CC(=O)C(=O)O CNP0149634.0 [0,1,0,1,0,0|2,0,0]=4 385 B10R1.190 C=C1CC1C[C@H](N)C(=O)O CNP0301702.2 [0,1,0,1,0,0|2,0,0]=4 386 B10R1.190 C=C1C[C@@H]1C[C@H](N)C(=O)O CNP0301702.3 [0,1,0,1,0,0|2,0,0]=4 387 B10R1.190 C=C1C[C@H]1C[C@H](N)C(=O)O CNP0301702.1 [0,1,0,1,0,0|2,0,0]=4 388 B10R1.361 C=C(C)[C@@H]1CC[C@H]1C(=C)C CNP0086148.1 [0,1,0,1,0,0|2,0,0]=4 389 B10R1.368 C=C(C)[C@@H]1C[C@H]1C=C(C)C CNP0309068.1 [0,1,0,1,0,0|2,0,0]=4 390 B10R1.368 C=C(C)[C@H]1C[C@@H]1C=C(C)C CNP0309068.2 [0,1,0,1,0,0|2,0,0]=4 391 B10R2.62 O=C1CC2C=CC1CC2 CNP0334741.0 [0,0,0,2,0,0|1,0,0]=3 392 B10R2.71 O=C1C[C@H]2C=C[C@@H](C1)C2 CNP0061415.1 [0,0,0,2,0,0|1,0,0]=3 393 B10R2.174 C=C1CCC2C1C(=O)N2 CNP0193176.0 [0,0,0,2,0,0|1,0,0]=3