0 B9R0.48 C=C(C)COC(=O)CCC CNP0002915.0 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.48 CCCC(=O)NCC(=O)O CNP0083880.0 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.48 CCCC(=O)NCC(C)C CNP0405550.0 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.48 CCC[C@@H](N)CCC(=O)O CNP0360374.1 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.48 CCC[C@@H](O)CCC(=O)O CNP0457735.2 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.48 CCC[C@H](N)CCC(=O)O CNP0360374.2 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.48 CCC[C@H](O)CCC(=O)O CNP0457735.1 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.48 CCOC(=O)C=CC(=O)O CNP0272269.0 [0,0,0,0,0,0|1,0,2]=3 12 B9R0.48 CCOC(=O)C=CC(C)C CNP0167612.0 [0,0,0,0,0,0|1,0,3]=4 13 B9R0.48 CCOC(=O)C=CN(C)C CNP0336666.0 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [0,0,0,0,0,0|0,0,0]=0 15 B9R0.48 CCOC(=O)CCC(=O)N CNP0277152.0 [0,0,0,0,0,0|1,0,0]=1 16 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [0,0,0,0,0,0|1,0,0]=1 17 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,0,0,0,0,0|1,0,1]=2 18 B9R0.48 CCOC(=O)CC[N+](=O)[O-] CNP0530407.0 [0,0,0,0,0,0|2,0,0]=2 19 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [0,0,0,0,0,0|1,0,1]=2 20 B9R0.48 CCSC(=O)CNC(=O)C CNP0507251.0 [0,0,0,0,0,0|1,1,0]=2 21 B9R0.48 COCC(=O)NCC(=O)O CNP0277433.0 [0,0,0,0,0,0|4,0,0]=4 22 B9R0.48 NCNC(=O)CCC(=O)O CNP0599954.0 [0,0,0,0,0,0|3,0,0]=3 23 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [1,0,0,0,0,0|0,0,1]=2 24 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [1,0,0,0,0,0|1,0,2]=4 26 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [1,0,0,0,0,0|3,0,0]=4 27 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [1,0,0,0,0,0|1,0,1]=3 28 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [1,0,0,0,0,0|0,0,1]=2 29 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [1,0,0,0,0,0|0,0,0]=1 31 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [1,0,0,0,0,0|0,0,2]=3 32 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [1,0,0,0,0,0|1,0,0]=2 33 B8R0.1 CCO[S@H](=O)SCSC CNP0547114.1 [1,0,0,0,0,0|3,0,0]=4 34 B8R0.1 CCO[S@](=O)SCSC CNP0331532.1 [1,0,0,0,0,0|3,0,0]=4 35 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [1,0,0,0,0,0|1,0,2]=4 36 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [1,0,0,0,0,0|1,0,2]=4 37 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,0,0,0,0,0|1,0,0]=2 38 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [1,0,0,0,0,0|2,0,0]=3 39 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [1,0,0,0,0,0|2,0,0]=3 40 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,0,0,0,0,0|1,0,1]=3 41 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,0,0,0,0,0|2,0,1]=4 44 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,0,0,0,0,0|2,0,1]=4 45 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,0,0,0,0,0|2,0,0]=3 46 B8R0.9 CC(=O)C=CC(=O)CO CNP0106535.0 [1,0,0,0,0,0|1,0,2]=4 47 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [1,0,0,0,0,0|1,0,1]=3 48 B8R0.9 CC=C(C)COC(=O)C CNP0535362.0 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.9 CC=C(N)CCC(=O)O CNP0563504.0 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [1,0,0,0,0,0|0,0,2]=3 51 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [1,0,0,0,0,0|1,0,1]=3 52 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [1,0,0,0,0,0|0,0,0]=1 53 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [1,0,0,0,0,0|1,0,0]=2 54 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [1,0,0,0,0,0|1,0,1]=3 55 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [1,0,0,0,0,0|0,0,2]=3 56 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [1,0,0,0,0,0|1,0,0]=2 57 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [1,0,0,0,0,0|2,0,0]=3 58 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [1,0,0,0,0,0|2,0,1]=4 59 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [1,0,0,0,0,0|1,0,1]=3 60 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [1,0,0,0,0,0|2,0,1]=4 61 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [1,0,0,0,0,0|2,0,1]=4 62 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [1,0,0,0,0,0|2,0,1]=4 63 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [1,0,0,0,0,0|2,0,1]=4 64 B8R0.9 CNC(=O)CNC(=O)C CNP0066321.0 [1,0,0,0,0,0|2,0,0]=3 65 B8R0.9 COC(=O)C=CC(=O)N CNP0302670.0 [1,0,0,0,0,0|1,0,2]=4 66 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [1,0,0,0,0,0|1,0,2]=4 67 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [1,0,0,0,0,0|1,0,1]=3 68 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [1,0,0,0,0,0|0,0,0]=1 69 B8R0.9 COC(=O)CCC(=O)N CNP0319465.0 [1,0,0,0,0,0|1,0,0]=2 70 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [1,0,0,0,0,0|1,0,0]=2 71 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [1,0,0,0,0,0|1,0,1]=3 72 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [1,0,0,0,0,0|1,0,0]=2 73 B8R0.9 COC(=O)NNC(=O)N CNP0304679.0 [1,0,0,0,0,0|3,0,0]=4 74 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [1,0,0,0,0,0|1,1,1]=4 75 B8R0.9 NCC(=O)CCC(=O)O CNP0153451.0 [1,0,0,0,0,0|2,0,0]=3 76 B8R0.9 NCC(=O)NCC(=O)O CNP0355149.0 [1,0,0,0,0,0|3,0,0]=4 77 B8R0.9 O=C(O)CCC(=O)CO CNP0325230.0 [1,0,0,0,0,0|2,0,0]=3 78 B8R0.9 O=C(O)CCC(=O)NO CNP0136196.0 [1,0,0,0,0,0|3,0,0]=4 79 B8R0.9 O=CC(=O)CCC(=O)O CNP0115864.0 [1,0,0,0,0,0|2,0,1]=4 80 B10R0.26 CCCC(=O)OC(C)C(=O)C CNP0002917.0 [0,1,0,0,0,0|2,0,0]=3 81 B10R0.26 CCOC(=O)CC(C)C(=O)O CNP0119918.0 [0,1,0,0,0,0|1,0,0]=2 82 B10R0.26 CCOC(=O)C[C@@H](O)C(=O)O CNP0340887.1 [0,1,0,0,0,0|1,0,0]=2 83 B10R0.26 NCCC(=O)C[C@H](N)C(=O)O CNP0253438.1 [0,1,0,0,0,0|3,0,0]=4 84 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C CNP0332739.1 [0,1,0,0,0,0|1,0,1]=3 85 B10R0.32 CCOC(=O)[C@@H](O)CC(C)C CNP0389022.1 [0,1,0,0,0,0|1,0,1]=3 86 B10R0.32 CCOC(=O)[C@H](C)C[C@H](C)O CNP0280330.1 [0,1,0,0,0,0|0,0,2]=3 87 B10R0.32 CCOC(=O)[C@H](C)OC(=O)C CNP0114784.1 [0,1,0,0,0,0|1,0,0]=2 88 B10R0.57 C=C(CO)C(=O)CCC(=O)C CNP0190089.0 [0,1,0,0,0,0|2,0,0]=3 89 B10R0.57 CCC(C)C(=O)NCC(=O)O CNP0082309.0 [0,1,0,0,0,0|3,0,0]=4 90 B10R0.78 C=CCOC(=O)CCC(=O)C CNP0609110.0 [0,1,0,0,0,0|0,0,1]=2 91 B10R0.78 CCCCC(=O)C=CC(=O)C CNP0107630.0 [0,1,0,0,0,0|1,0,2]=4 92 B10R0.78 CCCCC(=O)NCC(=O)O CNP0078627.0 [0,1,0,0,0,0|3,0,0]=4 93 B10R0.78 CCCOC(=O)CCC(=O)C CNP0002391.0 [0,1,0,0,0,0|0,0,0]=1 94 B10R0.78 COCC=C(C)COC(=O)C CNP0326991.0 [0,1,0,0,0,0|3,0,0]=4 95 B10R0.96 CC(=CC(=O)CCC(=O)O)O CNP0478615.0 [0,1,0,0,0,0|2,0,1]=4 96 B10R0.96 CC(=O)CC(=O)CCC(=O)O CNP0178580.0 [0,1,0,0,0,0|2,0,1]=4 97 B10R0.96 CC(C)CC(=O)NCC(=O)O CNP0207580.0 [0,1,0,0,0,0|3,0,0]=4 98 B10R0.96 CC(C)OC(=O)CCC(=O)O CNP0547700.0 [0,1,0,0,0,0|1,0,0]=2 99 B10R0.96 CN(C)NC(=O)CCC(=O)O CNP0506194.0 [0,1,0,0,0,0|3,0,0]=4 100 B10R0.105 CCO[P@](=O)(O)CCN(C)C CNP0139534.1 [0,1,0,0,0,0|3,0,0]=4 101 B10R0.108 C=C(CCBr)CCC(=O)OC CNP0344449.0 [0,1,0,0,0,0|3,0,0]=4 102 B10R0.108 CCOC(=O)CCC(=O)C=O CNP0237833.0 [0,1,0,0,0,0|0,0,1]=2 103 B10R0.108 CCOC(=O)CNC(=O)CN CNP0593562.0 [0,1,0,0,0,0|1,0,0]=2 104 B10R0.109 CCOC(=O)CCS(=O)(=O)C CNP0414710.0 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.64 CC(=O)C[C@@H]1CCCN1C CNP0132643.1 [0,0,0,1,0,0|3,0,0]=4 106 B10R1.64 CC(=O)C[C@H]1CCCN1C CNP0132643.2 [0,0,0,1,0,0|3,0,0]=4 107 B10R1.64 CC(=O)NC1SCCC1=O CNP0498587.0 [0,0,0,1,0,0|3,0,0]=4 108 B10R1.64 CC(=O)N[C@@H]1CCSC1=O CNP0583672.2 [0,0,0,1,0,0|1,1,0]=3 109 B10R1.64 CC(=O)N[C@H]1CCOC1=O CNP0535066.1 [0,0,0,1,0,0|1,0,0]=2 110 B10R1.64 CC(=O)N[C@H]1CCSC1=O CNP0583672.1 [0,0,0,1,0,0|1,1,0]=3 111 B10R1.64 CC(=O)SC1=C(OCC1)C CNP0082049.0 [0,0,0,1,0,0|2,0,1]=4 112 B10R1.64 NC(=O)CN1CCCC1=O CNP0598428.0 [0,0,0,1,0,0|3,0,0]=4 113 B10R1.64 O=C(O)CN1CCCC1=O CNP0509935.0 [0,0,0,1,0,0|3,0,0]=4 114 B10R1.66 CC(=O)OC[C@@H]1CCCO1 CNP0114315.1 [0,0,0,1,0,0|2,0,1]=4 115 B10R1.66 CC(=O)OC[C@H]1CCCO1 CNP0114315.2 [0,0,0,1,0,0|2,0,1]=4 116 B10R1.71 O=C1CCCNC(=O)CN1 CNP0188446.0 [0,0,0,1,0,0|2,0,0]=3 117 B10R1.71 O=C1COC(=O)CCCN1 CNP0119732.0 [0,0,0,1,0,0|2,0,0]=3 118 B10R1.107 CC(=O)N[C@@H]1C(=O)O[C@@H]1C CNP0213056.1 [0,0,0,1,0,0|1,0,0]=2 119 B10R1.107 CC(=O)N[C@H]1C(=O)O[C@H]1C CNP0213056.2 [0,0,0,1,0,0|1,0,0]=2 120 B10R1.113 C=C(C)[C@@H]1CCC=C(C1)C CNP0173733.2 [0,0,0,1,0,0|3,0,0]=4 121 B10R1.113 C=C(C)[C@H]1CCC=C(C1)C CNP0173733.1 [0,0,0,1,0,0|3,0,0]=4 122 B10R1.113 C[C@@H]1C[C@@H](CCO1)C(=O)O CNP0370944.3 [0,0,0,1,0,0|2,0,1]=4 123 B10R1.113 C[C@@H]1C[C@H](CCO1)C(=O)O CNP0370944.4 [0,0,0,1,0,0|2,0,1]=4 124 B10R1.113 C[C@H]1C[C@@H](CCO1)C(=O)O CNP0370944.2 [0,0,0,1,0,0|2,0,1]=4 125 B10R1.113 C[C@H]1C[C@H](CCO1)C(=O)O CNP0370944.1 [0,0,0,1,0,0|2,0,1]=4 126 B10R1.113 NC(=O)C1=CC(=O)OCC1 CNP0294513.0 [0,0,0,1,0,0|1,0,2]=4 127 B10R1.113 O=C1CCCC(C1)C(=O)O CNP0612018.0 [0,0,0,1,0,0|2,0,0]=3 128 B10R1.113 O=C1CCCC(N1)C(=O)O CNP0082266.0 [0,0,0,1,0,0|3,0,0]=4 129 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O CNP0137744.1 [0,0,0,1,0,0|3,0,0]=4 130 B10R1.330 O=C1CCC(=O)CC(C1)O CNP0144196.0 [0,0,0,1,0,0|2,0,0]=3 131 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,0,0,0,1,0|2,0,1]=4 132 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,0,0,0,1,0|2,0,1]=4 133 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,0,0,0,1,0|1,0,0]=2 134 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,0,0,0,1,0|2,0,0]=3 135 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [0,0,0,0,1,0|2,0,1]=4 136 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,0,0,0,1,0|2,0,1]=4 137 B8R0.5 CCOC(=O)C=C(Br)Br CNP0238604.0 [0,0,0,0,1,0|2,0,1]=4 138 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [0,0,0,0,1,0|1,0,1]=3 139 B8R0.5 CCOC(=O)C=C(Cl)Cl CNP0166336.0 [0,0,0,0,1,0|2,0,1]=4 140 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,0,0,0,1,0|0,0,0]=1 141 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [0,0,0,0,1,0|1,0,0]=2 142 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,0,0,0,1,0|1,0,0]=2 143 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [0,0,0,0,1,0|1,0,1]=3 144 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [0,0,0,0,1,0|0,1,1]=3 145 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [0,0,0,0,1,0|1,0,1]=3 146 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [0,0,0,0,1,0|0,0,2]=3 147 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [0,0,0,0,1,0|0,0,2]=3 148 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [0,0,0,0,1,0|2,0,0]=3 149 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [0,0,0,0,1,0|2,0,0]=3 150 B8R0.5 CCOC(=O)NC(=O)N CNP0241486.0 [0,0,0,0,1,0|2,0,0]=3 151 B10R0.3 C=C(C)CCOC(=O)CCC CNP0525083.0 [0,0,0,0,0,1|2,0,0]=3 152 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [0,0,0,0,0,1|2,0,0]=3 153 B10R0.3 CCCC(=O)OCCC(C)C CNP0144794.0 [0,0,0,0,0,1|2,0,1]=4 154 B10R0.3 CCCC(S)CCOC(=O)C CNP0028770.0 [0,0,0,0,0,1|1,1,1]=4 155 B10R0.3 CCOC(=O)/C=C/C[C@H](C)O CNP0226246.1 [0,0,0,0,0,1|0,0,3]=4 156 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [0,0,0,0,0,1|0,0,0]=1 157 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,0,0,0,0,1|1,0,1]=3 158 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,0,0,0,0,1|0,0,2]=3 159 B10R0.3 COCC(=O)NCCC(=O)O CNP0328117.0 [0,0,0,0,0,1|3,0,0]=4 160 B10R0.3 NCCC(=O)NCCC(=O)O CNP0387017.0 [0,0,0,0,0,1|3,0,0]=4 161 B7R0.1 CCC=CCCC=O CNP0265888.0 [2,0,0,0,0,0|1,0,0]=3 162 B7R0.1 CCC=CCCCC CNP0084702.0 [2,0,0,0,0,0|1,0,1]=4 163 B7R0.1 CCCC=CCC=O CNP0201799.0 [2,0,0,0,0,0|1,0,1]=4 164 B7R0.1 CCCCCCC=O CNP0243745.0 [2,0,0,0,0,0|1,0,1]=4 165 B7R0.1 CCCCCOCC CNP0520137.0 [2,0,0,0,0,0|0,0,2]=4 166 B7R0.3 C=C(CC)CCCC CNP0084703.0 [2,0,0,0,0,0|1,0,1]=4 167 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [2,0,0,0,0,0|0,0,1]=3 168 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [2,0,0,0,0,0|1,0,1]=4 169 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [2,0,0,0,0,0|0,0,2]=4 170 B7R0.3 CCC(=O)CCSC CNP0003468.0 [2,0,0,0,0,0|1,0,0]=3 171 B7R0.3 CCCCC(=O)CC CNP0286726.0 [2,0,0,0,0,0|0,0,1]=3 172 B7R0.3 CCCCC(=O)OC CNP0184855.0 [2,0,0,0,0,0|0,0,1]=3 173 B7R0.3 CCCOC(=O)CC CNP0296678.0 [2,0,0,0,0,0|1,0,1]=4 174 B7R0.3 CCOCC(=O)OC CNP0306071.0 [2,0,0,0,0,0|1,0,1]=4 175 B7R0.3 COC(=O)CCC#N CNP0076214.0 [2,0,0,0,0,0|1,0,1]=4 176 B7R0.3 COC(=O)CCC=O CNP0246367.0 [2,0,0,0,0,0|0,0,0]=2 177 B7R0.3 COC(=O)CCSC CNP0302353.0 [2,0,0,0,0,0|1,0,0]=3 178 B7R0.7 C=C(CCC)CCC CNP0515689.0 [2,0,0,0,0,0|2,0,0]=4 179 B7R0.7 C=C(OCC)OCC CNP0510072.0 [2,0,0,0,0,0|2,0,0]=4 180 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [2,0,0,0,0,0|0,0,1]=3 181 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [2,0,0,0,0,0|1,0,1]=4 182 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [2,0,0,0,0,0|1,0,1]=4 183 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [2,0,0,0,0,0|0,0,1]=3 184 B7R0.7 CCC=C(C)CCC CNP0345457.0 [2,0,0,0,0,0|2,0,0]=4 185 B7R0.7 CCCC(=O)CCC CNP0310318.0 [2,0,0,0,0,0|1,0,0]=3 186 B7R0.7 CCCC(=O)OCC CNP0232050.0 [2,0,0,0,0,0|0,0,0]=2 187 B7R0.7 CCCC(=S)OCC CNP0612025.0 [2,0,0,0,0,0|0,1,0]=3 188 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [2,0,0,0,0,0|1,0,1]=4 189 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [2,0,0,0,0,0|1,0,1]=4 190 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [2,0,0,0,0,0|1,0,1]=4 191 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [2,0,0,0,0,0|1,0,1]=4 192 B7R0.7 CCOC(=O)CCS CNP0347470.0 [2,0,0,0,0,0|0,1,0]=3 193 B7R0.7 CCOC(=O)CNC CNP0575591.0 [2,0,0,0,0,0|1,0,0]=3 194 B7R0.7 CCOC(=O)CSC CNP0330528.0 [2,0,0,0,0,0|1,0,0]=3 195 B7R0.7 CCOC(=O)OCC CNP0167765.0 [2,0,0,0,0,0|1,0,0]=3 196 B7R0.7 CCOP(=O)OCC CNP0575132.0 [2,0,0,0,0,0|2,0,0]=4 197 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [2,0,0,0,0,0|1,0,1]=4 198 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [2,0,0,0,0,0|1,0,1]=4 199 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [2,0,0,0,0,0|0,0,1]=3 200 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [2,0,0,0,0,0|1,0,1]=4 201 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [2,0,0,0,0,0|1,0,1]=4 202 B7R0.4 CCCCCC(=O)C CNP0240774.0 [2,0,0,0,0,0|0,0,1]=3 203 B7R0.4 CCCCCC(=O)N CNP0077222.0 [2,0,0,0,0,0|1,0,1]=4 204 B7R0.4 CCCCCC(=O)O CNP0210437.0 [2,0,0,0,0,0|1,0,1]=4 205 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [2,0,0,0,0,0|1,0,1]=4 206 B7R0.4 CCCCOC(=O)C CNP0158571.0 [2,0,0,0,0,0|1,0,1]=4 207 B7R0.4 CCOCC=C(C)C CNP0002719.0 [2,0,0,0,0,0|1,0,1]=4 208 B7R0.4 CCOCCC(=O)C CNP0086134.0 [2,0,0,0,0,0|0,0,0]=2 209 B7R0.4 CCOCCC(=O)O CNP0566237.0 [2,0,0,0,0,0|1,0,0]=3 210 B7R0.4 CCOCCC(C)C CNP0032749.0 [2,0,0,0,0,0|1,0,1]=4 211 B7R0.4 COCCCC(=O)C CNP0580201.0 [2,0,0,0,0,0|0,0,1]=3 212 B7R0.4 COCCOC(=O)C CNP0278807.0 [2,0,0,0,0,0|1,0,1]=4 213 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [2,0,0,0,0,0|1,0,0]=3 214 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [2,0,0,0,0,0|1,0,1]=4 215 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [2,0,0,0,0,0|0,0,2]=4 216 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [2,0,0,0,0,0|0,0,2]=4 217 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [2,0,0,0,0,0|0,0,0]=2 218 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [2,0,0,0,0,0|0,0,0]=2 219 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [2,0,0,0,0,0|0,0,1]=3 220 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [2,0,0,0,0,0|0,0,1]=3 221 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [2,0,0,0,0,0|1,0,1]=4 222 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [2,0,0,0,0,0|1,0,0]=3 223 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [2,0,0,0,0,0|1,0,0]=3 224 B7R0.6 CC(=O)NNC(=O)C CNP0226263.0 [2,0,0,0,0,0|2,0,0]=4 225 B7R0.6 CC(=O)NOC(=O)C CNP0050805.0 [2,0,0,0,0,0|2,0,0]=4 226 B7R0.6 CC(=O)OOC(=O)C CNP0196667.0 [2,0,0,0,0,0|2,0,0]=4 227 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [2,0,0,0,0,0|1,0,1]=4 228 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [2,0,0,0,0,0|2,0,0]=4 229 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [2,0,0,0,0,0|0,0,2]=4 230 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [2,0,0,0,0,0|2,0,0]=4 231 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [2,0,0,0,0,0|2,0,0]=4 232 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [2,0,0,0,0,0|1,0,1]=4 233 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [2,0,0,0,0,0|2,0,0]=4 234 B7R0.6 NC(=O)CCC(=O)N CNP0188909.0 [2,0,0,0,0,0|2,0,0]=4 235 B7R0.6 NC(=O)CCC(=O)O CNP0115008.0 [2,0,0,0,0,0|1,0,0]=3 236 B7R0.6 NC(=O)NCC(=O)O CNP0369831.0 [2,0,0,0,0,0|2,0,0]=4 237 B7R0.6 O=C(Br)CCC(=O)Br CNP0117937.0 [2,0,0,0,0,0|2,0,0]=4 238 B7R0.6 O=C(Cl)CCC(=O)Cl CNP0384530.0 [2,0,0,0,0,0|2,0,0]=4 239 B7R0.6 O=C(O)CCC(=O)O CNP0332012.0 [2,0,0,0,0,0|1,0,0]=3 240 B7R0.6 O=C(O)CC[N+](=O)[O-] CNP0337272.0 [2,0,0,0,0,0|2,0,0]=4 241 B7R0.6 O=C(O)CNC(=O)O CNP0611653.0 [2,0,0,0,0,0|2,0,0]=4 242 B7R0.6 O=C([O-])CCC(=O)[O-] CNP0594813.0 [2,0,0,0,0,0|1,0,1]=4 243 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [1,1,0,0,0,0|0,0,1]=3 244 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [1,1,0,0,0,0|0,0,1]=3 245 B9R0.5 CC=CC=CC(=O)OCC CNP0002481.0 [1,1,0,0,0,0|0,0,2]=4 246 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [1,1,0,0,0,0|1,0,0]=3 247 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [1,1,0,0,0,0|0,0,1]=3 248 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [1,1,0,0,0,0|1,0,0]=3 249 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [1,1,0,0,0,0|0,0,2]=4 250 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [1,1,0,0,0,0|1,0,1]=4 251 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [1,1,0,0,0,0|0,0,1]=3 252 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [1,1,0,0,0,0|1,0,1]=4 253 B9R0.5 CCOC(=O)CCCC#N CNP0244990.0 [1,1,0,0,0,0|0,0,2]=4 254 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [1,1,0,0,0,0|0,0,1]=3 255 B9R0.5 O=CCCSC(=O)CCS CNP0552323.0 [1,1,0,0,0,0|2,0,0]=4 256 B9R0.18 C=CCOC(=O)CCCC CNP0003307.0 [1,1,0,0,0,0|0,0,2]=4 257 B9R0.18 C=CCOC(=O)OCCO CNP0325066.0 [1,1,0,0,0,0|1,0,1]=4 258 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [1,1,0,0,0,0|1,0,1]=4 259 B9R0.18 CCCCC(=O)OCCC CNP0084151.0 [1,1,0,0,0,0|0,0,1]=3 260 B9R0.34 CCOC(=O)CC(C)SC CNP0019037.0 [1,1,0,0,0,0|1,0,0]=3 261 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [1,1,0,0,0,0|0,0,1]=3 262 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [1,1,0,0,0,0|0,0,1]=3 263 B9R0.35 C/C=C/[C@H](C)C(=O)OCC CNP0248214.1 [1,1,0,0,0,0|0,0,1]=3 264 B9R0.35 C=CCC(C)C(=O)OCC CNP0139800.0 [1,1,0,0,0,0|0,0,1]=3 265 B9R0.35 CCCC(=O)C(O)CCC CNP0003366.0 [1,1,0,0,0,0|1,0,1]=4 266 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [1,1,0,0,0,0|0,0,1]=3 267 B9R0.35 CCOC(=O)C(C)SSC CNP0103429.0 [1,1,0,0,0,0|2,0,0]=4 268 B9R0.1 CC(=O)CCC=C(C)CO CNP0278208.0 [1,1,0,0,0,0|2,0,0]=4 269 B9R0.1 CCC(C)OCCC(=O)C CNP0493314.0 [1,1,0,0,0,0|2,0,0]=4 270 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [1,1,0,0,0,0|1,0,1]=4 271 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [1,1,0,0,0,0|1,0,1]=4 272 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [1,1,0,0,0,0|2,0,0]=4 273 B9R0.2 CCC=CCCOC(=O)C CNP0265323.0 [1,1,0,0,0,0|1,0,0]=3 274 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [1,1,0,0,0,0|1,0,0]=3 275 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [1,1,0,0,0,0|2,0,0]=4 276 B9R0.2 CCCC=CCOC(=O)C CNP0181998.0 [1,1,0,0,0,0|1,0,1]=4 277 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [1,1,0,0,0,0|1,0,1]=4 278 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [1,1,0,0,0,0|1,0,1]=4 279 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [1,1,0,0,0,0|1,0,1]=4 280 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [1,1,0,0,0,0|1,0,0]=3 281 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [1,1,0,0,0,0|1,0,1]=4 282 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [1,1,0,0,0,0|1,0,1]=4 283 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [1,1,0,0,0,0|1,0,1]=4 284 B9R0.47 CCOCC[C@H](N)C(=O)O CNP0109857.1 [1,1,0,0,0,0|1,0,1]=4 285 B9R0.55 CC(=O)CCCCC(C)C CNP0596169.0 [1,1,0,0,0,0|1,0,1]=4 286 B9R0.55 CC(=O)OCC=CC(C)C CNP0539988.0 [1,1,0,0,0,0|2,0,0]=4 287 B9R0.55 CC(O)C=CCCC(=O)O CNP0612153.0 [1,1,0,0,0,0|2,0,0]=4 288 B9R0.7 C=C(C)COC(=O)C(C)C CNP0104203.0 [1,1,0,0,0,0|2,0,0]=4 289 B9R0.7 CC(C)C(=O)CCC(=O)O CNP0329211.0 [1,1,0,0,0,0|1,0,0]=3 290 B9R0.7 CC(C)C(=O)NCC(=O)O CNP0079797.0 [1,1,0,0,0,0|2,0,0]=4 291 B9R0.7 CC(S)C(=O)NCC(=O)O CNP0492780.0 [1,1,0,0,0,0|2,0,0]=4 292 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O CNP0524494.1 [1,1,0,0,0,0|2,0,0]=4 293 B9R0.7 C[C@@H](O)C(=O)CCC(=O)O CNP0134105.1 [1,1,0,0,0,0|1,0,0]=3 294 B9R0.21 CCC(=O)CCC(C)(C)O CNP0580534.0 [1,1,0,0,0,0|0,0,2]=4 295 B9R0.21 COC(=O)CCS(=O)(=O)C CNP0017539.0 [1,1,0,0,0,0|1,0,0]=3 296 B9R0.23 CCC(=O)[C@H](C)NC(=O)C CNP0481788.1 [1,1,0,0,0,0|1,0,0]=3 297 B9R0.23 COC(=O)C(C)CC(=O)O CNP0352524.0 [1,1,0,0,0,0|1,0,0]=3 298 B9R0.23 COC(=O)C(O)CC(C)C CNP0002916.0 [1,1,0,0,0,0|1,0,1]=4 299 B9R0.23 COC(=O)[C@@H](N)CC(=O)N CNP0041402.1 [1,1,0,0,0,0|1,0,0]=3 300 B9R0.23 COC(=O)[C@@H](N)CC(C)C CNP0396242.2 [1,1,0,0,0,0|1,0,1]=4 301 B9R0.23 COC(=O)[C@@H](O)CC(=O)C CNP0113476.2 [1,1,0,0,0,0|0,0,0]=2 302 B9R0.23 COC(=O)[C@H](N)CC(=O)N CNP0041402.2 [1,1,0,0,0,0|1,0,0]=3 303 B9R0.23 COC(=O)[C@H](N)CC(C)C CNP0396242.3 [1,1,0,0,0,0|1,0,1]=4 304 B9R0.23 COC(=O)[C@H](O)CC(=O)C CNP0113476.1 [1,1,0,0,0,0|0,0,0]=2 305 B9R0.23 COC(=O)[C@H](O)CC(=O)O CNP0269332.1 [1,1,0,0,0,0|1,0,0]=3 306 B9R0.23 CSC(=O)C(C)OC(=O)C CNP0019263.0 [1,1,0,0,0,0|1,1,0]=4 307 B9R0.23 NC(CC(=O)O)C(=O)O[K+] CNP0611577.0 [1,1,0,0,0,0|2,0,0]=4 308 B9R0.23 N[C@H](CC(=O)O)C(=O)O[K+] CNP0611577.1 [1,1,0,0,0,0|2,0,0]=4 309 B9R0.24 CCC(=O)CCC(=O)CC CNP0280257.0 [1,1,0,0,0,0|0,0,0]=2 310 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [1,1,0,0,0,0|1,0,1]=4 311 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [1,1,0,0,0,0|1,0,1]=4 312 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [1,1,0,0,0,0|1,0,1]=4 313 B9R0.24 CNC(=O)CNC(=O)CN CNP0047702.0 [1,1,0,0,0,0|2,0,0]=4 314 B9R0.24 COC(=O)C#CC(=O)OC CNP0341643.0 [1,1,0,0,0,0|0,0,2]=4 315 B9R0.24 COC(=O)C=CC(=O)OC CNP0328522.0 [1,1,0,0,0,0|0,0,2]=4 316 B9R0.24 COC(=O)CCC(=O)CN CNP0363549.0 [1,1,0,0,0,0|0,0,0]=2 317 B9R0.24 COC(=O)CCC(=O)CO CNP0195106.0 [1,1,0,0,0,0|0,0,0]=2 318 B9R0.24 COC(=O)CCC(=O)OC CNP0301716.0 [1,1,0,0,0,0|0,0,0]=2 319 B9R0.24 COC(=O)NNC(=O)OC CNP0145555.0 [1,1,0,0,0,0|2,0,0]=4 320 B9R0.42 C=C(CC(=O)OC)C(=O)O CNP0268165.0 [1,1,0,0,0,0|1,0,1]=4 321 B9R0.42 C=C(CC)C[C@H](N)C(=O)O CNP0154290.1 [1,1,0,0,0,0|2,0,0]=4 322 B9R0.42 CC(CC(=O)CCl)C(=O)O CNP0506666.0 [1,1,0,0,0,0|2,0,0]=4 323 B9R0.42 CCC(=O)C[C@H](N)C(=O)O CNP0276322.1 [1,1,0,0,0,0|1,0,0]=3 324 B9R0.42 COC(=O)C[C@@H](C)C(=O)C CNP0265875.1 [1,1,0,0,0,0|0,0,0]=2 325 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CNP0082293.1 [1,1,0,0,0,0|1,0,0]=3 326 B9R0.42 COC(=O)C[C@@H](O)C(=O)O CNP0134370.1 [1,1,0,0,0,0|1,0,0]=3 327 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O CNP0170448.1 [1,1,0,0,0,0|2,0,0]=4 328 B9R0.6 CCOC(=O)C(C)C(=O)C CNP0103680.0 [0,1,0,0,1,0|0,0,0]=2 329 B9R0.6 CCOC(=O)C(C)C(C)S CNP0164740.0 [0,1,0,0,1,0|0,1,1]=4 330 B9R0.6 CCOC(=O)[C@@H](N)C(C)C CNP0535653.1 [0,1,0,0,1,0|1,0,1]=4 331 B9R0.6 CCOC(=O)[C@H](O)C(C)C CNP0170066.1 [0,1,0,0,1,0|1,0,1]=4 332 B9R0.44 CCOC(=O)CC(C)(C)O CNP0234032.0 [0,1,0,0,1,0|0,0,2]=4 333 B9R0.44 CCOC(=O)CS(=O)(=O)Cl CNP0190677.0 [0,1,0,0,1,0|2,0,0]=4 334 B9R0.53 CC(=CC(=O)OC(C)C)C CNP0228790.0 [0,1,0,0,1,0|1,0,1]=4 335 B9R0.53 CC(C)CC(=O)OC(C)C CNP0311912.0 [0,1,0,0,1,0|1,0,1]=4 336 B9R0.53 C[C@H](N)CC(=O)CC(=O)O CNP0136260.1 [0,1,0,0,1,0|2,0,0]=4 337 B11R0.1 CCOC(=O)C=C(C)NC(=O)C CNP0059456.0 [0,1,0,0,0,1|0,0,2]=4 338 B11R0.1 CCOC(=O)C[C@@H](C)NC(=O)C CNP0207369.1 [0,1,0,0,0,1|0,0,0]=2 339 B11R0.1 CCOC(=O)C[C@@H](C)O[N+](=O)[O-] CNP0546718.1 [0,1,0,0,0,1|2,0,0]=4 340 B11R0.1 CCOC(=O)C[C@H](C)O[N+](=O)[O-] CNP0546718.2 [0,1,0,0,0,1|2,0,0]=4 341 B11R0.6 C=C(C)CCOC(=O)CC(C)C CNP0147789.0 [0,1,0,0,0,1|2,0,0]=4 342 B11R0.59 CCOC(=O)C(=COC(=O)C)C CNP0055976.0 [0,1,0,0,0,1|0,0,2]=4 343 B11R0.59 CCOC(=O)C(=NNC(=O)C)C CNP0268978.0 [0,1,0,0,0,1|1,0,1]=4 344 B11R0.59 CCOC(=O)[C@@H](N)CSC(=O)C CNP0029965.1 [0,1,0,0,0,1|0,0,0]=2 345 B11R0.141 CCCC(=O)SC[C@H](N)C(=O)O CNP0511063.1 [0,1,0,0,0,1|2,0,0]=4 346 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O CNP0109625.1 [0,1,0,0,0,1|2,0,0]=4 347 B11R0.180 CCOC(=O)CCC[N+](C)(C)C CNP0063315.0 [0,1,0,0,0,1|2,0,0]=4 348 B11R0.10 CCOC(=O)CC(C)(C)C(C)C CNP0525560.0 [0,2,0,0,0,0|1,0,1]=4 349 B11R0.163 N[C@@H](CC(=O)NCCO)C(=O)O CNP0241688.1 [0,2,0,0,0,0|2,0,0]=4 350 B11R0.187 C=C(CO)[C@@H](O)CC(=O)OCC CNP0227038.1 [0,2,0,0,0,0|1,0,0]=3 351 B11R0.187 C=C(CO)[C@H](O)CC(=O)OCC CNP0227038.2 [0,2,0,0,0,0|1,0,0]=3 352 B11R0.187 CC/C=C(\C)/C[C@@H](C)C(=O)CC CNP0266511.1 [0,2,0,0,0,0|2,0,0]=4 353 B11R0.187 CCOC(=O)CC(O)C(=O)OC CNP0340722.0 [0,2,0,0,0,0|0,0,0]=2 354 B11R0.43 CCOC(=O)C(=O)CC(=O)CC CNP0113615.0 [0,2,0,0,0,0|0,0,1]=3 355 B11R0.46 CCCCCC(=O)CCC(=O)C CNP0136880.0 [0,2,0,0,0,0|1,0,0]=3 356 B11R0.46 CCCCCC(=O)CCC(=O)O CNP0235547.0 [0,2,0,0,0,0|2,0,0]=4 357 B11R0.46 CCCCOC(=O)CCC(=O)C CNP0349279.0 [0,2,0,0,0,0|0,0,0]=2 358 B11R0.46 CCCCOC(=O)CCC(=O)O CNP0348497.0 [0,2,0,0,0,0|1,0,0]=3 359 B11R0.70 CCCCC(=O)CCC(=O)OC CNP0612026.0 [0,2,0,0,0,0|1,0,0]=3 360 B11R0.85 CC(=O)CCC(=O)CCC(=O)C CNP0611971.0 [0,2,0,0,0,0|1,0,0]=3 361 B11R0.85 CC(=O)CCC(=O)CCC(=O)O CNP0599150.0 [0,2,0,0,0,0|1,0,1]=4 362 B11R0.85 CC(=O)OCC(=O)COC(=O)C CNP0247381.0 [0,2,0,0,0,0|1,0,1]=4 363 B11R0.34 CC(C)(C)OC(=O)NCC(=O)O CNP0064991.0 [0,2,0,0,0,0|2,0,0]=4 364 B11R0.107 COC(=O)CCC(=O)CC(=O)C CNP0305846.0 [0,2,0,0,0,0|1,0,1]=4 365 B11R0.9 CCOC(=O)CCC(OC)OC CNP0278348.0 [0,2,0,0,0,0|0,0,2]=4 366 B11R0.62 CCOC(=O)C=CC(=O)OCC CNP0127859.0 [0,2,0,0,0,0|0,0,2]=4 367 B11R0.62 CCOC(=O)CCC(=O)OCC CNP0115480.0 [0,2,0,0,0,0|0,0,0]=2 368 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [1,0,0,1,0,0|2,0,0]=4 369 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [1,0,0,1,0,0|0,0,2]=4 370 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [1,0,0,1,0,0|1,0,1]=4 371 B9R1.27 CC1=C(C(=O)CC1)CO CNP0391930.0 [1,0,0,1,0,0|2,0,0]=4 372 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [1,0,0,1,0,0|1,0,0]=3 373 B9R1.27 CCN1C(=O)CCC1=O CNP0304586.0 [1,0,0,1,0,0|1,0,0]=3 374 B9R1.27 COC1=C(CCC1=O)C CNP0163251.0 [1,0,0,1,0,0|2,0,0]=4 375 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [1,0,0,1,0,0|1,0,1]=4 376 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [1,0,0,1,0,0|0,0,1]=3 377 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [1,0,0,1,0,0|1,0,1]=4 378 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [1,0,0,1,0,0|0,0,1]=3 379 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [1,0,0,1,0,0|0,0,1]=3 380 B9R1.69 C[C@@H]1NC(=O)CNC1=O CNP0190271.1 [1,0,0,1,0,0|2,0,0]=4 381 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [1,0,0,1,0,0|0,0,1]=3 382 B9R1.69 C[C@H]1NC(=O)CNC1=O CNP0190271.2 [1,0,0,1,0,0|2,0,0]=4 383 B9R1.69 C[C@H]1O[C@@H](CCC1=O)O CNP0334218.1 [1,0,0,1,0,0|0,0,2]=4 384 B9R1.183 CCOC(=O)C1OC1C CNP0611901.0 [1,0,0,1,0,0|1,0,1]=4 385 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [1,0,0,1,0,0|1,0,1]=4 386 B9R1.6 CC(=O)N1CCOCC1 CNP0213616.0 [1,0,0,1,0,0|1,0,1]=4 387 B9R1.6 O=C(O)[C@H]1CC=CCC1 CNP0343332.1 [1,0,0,1,0,0|2,0,0]=4 388 B9R1.13 CC(=O)C[C@@H]1CCCN1 CNP0147247.2 [1,0,0,1,0,0|2,0,0]=4 389 B9R1.13 CC(=O)C[C@H]1CCCN1 CNP0147247.1 [1,0,0,1,0,0|2,0,0]=4 390 B9R1.13 O=C(O)C[C@@H]1C=CCC1 CNP0371740.1 [1,0,0,1,0,0|2,0,0]=4 391 B9R1.13 O=C(O)C[C@H]1C=CCC1 CNP0371740.2 [1,0,0,1,0,0|2,0,0]=4 392 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [1,0,0,1,0,0|1,0,1]=4 393 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [1,0,0,1,0,0|1,0,1]=4 394 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 CNP0235501.1 [1,0,0,1,0,0|1,0,0]=3 395 B9R1.35 CC(O)C1COC(=O)C1 CNP0564312.0 [1,0,0,1,0,0|0,0,2]=4 396 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 CNP0295319.2 [1,0,0,1,0,0|2,0,0]=4 397 B9R1.35 NC(=O)[C@H]1CCC(=O)N1 CNP0295319.1 [1,0,0,1,0,0|2,0,0]=4 398 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 CNP0031489.1 [1,0,0,1,0,0|2,0,0]=4 399 B9R1.35 O=C1CC[C@@H](N1)C(=O)O CNP0206174.1 [1,0,0,1,0,0|2,0,0]=4 400 B9R1.35 O=C1CC[C@@H](O1)C(=O)O CNP0464408.1 [1,0,0,1,0,0|2,0,0]=4 401 B9R1.35 O=C1CC[C@H](N1)C(=O)O CNP0206174.2 [1,0,0,1,0,0|2,0,0]=4 402 B9R1.35 O=C1CNC(C1)C(=O)O CNP0124683.0 [1,0,0,1,0,0|2,0,0]=4 403 B9R1.34 CC1OC(=O)CC(=O)O1 CNP0094345.0 [0,0,0,1,1,0|1,0,0]=3 404 B9R1.34 C[C@@H]1CC(=CC(=O)O1)O CNP0195692.1 [0,0,0,1,1,0|0,0,2]=4 405 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [0,0,0,1,1,0|0,0,2]=4 406 B9R1.34 C[C@H]1CC(=CC(=O)O1)O CNP0195692.2 [0,0,0,1,1,0|0,0,2]=4 407 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [0,0,0,1,1,0|0,0,2]=4 408 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [0,0,0,1,1,0|0,0,2]=4 409 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [0,0,0,1,1,0|0,0,2]=4 410 B11R1.15 CCOC(=O)C1CCC(=O)O1 CNP0001512.0 [0,0,0,1,0,1|1,0,0]=3 411 B11R1.15 CCOC(=O)[C@@H]1CCC(=N1)O CNP0524043.1 [0,0,0,1,0,1|1,0,1]=4 412 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 CNP0367585.2 [0,0,0,1,0,1|1,0,0]=3 413 B11R1.15 CCOC(=O)[C@H]1CCC(=N1)O CNP0524043.2 [0,0,0,1,0,1|1,0,1]=4 414 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 CNP0367585.1 [0,0,0,1,0,1|1,0,0]=3 415 B11R1.15 O=C1C[C@@H](CO1)C(=O)CCO CNP0159390.1 [0,0,0,1,0,1|2,0,0]=4 416 B11R1.90 O=C(O)CCC1=CCOC1=O CNP0299927.0 [0,0,0,1,0,1|1,0,1]=4 417 B11R1.145 O=C1CSCC(=O)NCCN1 CNP0314481.0 [0,0,0,1,0,1|2,0,0]=4 418 B11R1.157 CC(=O)C[C@H]1CCCC(=N1)C CNP0260516.1 [0,0,0,1,0,1|2,0,0]=4 419 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 CNP0341504.1 [0,0,0,1,0,1|2,0,0]=4 420 B11R1.166 CC(=O)[C@@H]1CCC(=C[C@H]1C)C CNP0099950.1 [0,0,0,1,0,1|2,0,0]=4 421 B11R1.645 CC(=O)CC1OC(=O)C=C1C CNP0434876.0 [0,0,0,1,0,1|1,0,1]=4 422 B11R1.86 CC(=O)N[C@H]1CCCNC1=O CNP0139994.1 [0,1,0,1,0,0|2,0,0]=4 423 B11R1.673 C[C@@H]1C(=O)O[C@@H]([C@H]1C(=O)O)C CNP0351194.2 [0,1,0,1,0,0|1,0,0]=3 424 B11R1.673 C[C@@H]1OC(=O)[C@@H]([C@H]1C(=O)O)C CNP0351194.1 [0,1,0,1,0,0|1,0,0]=3 425 B11R1.21 C=C(C)C1CC[C@H](C(=O)C1)C CNP0183834.2 [0,1,0,1,0,0|2,0,0]=4 426 B11R1.21 C=C(C)[C@@H]1CC[C@@H](C(=O)C1)C CNP0183834.4 [0,1,0,1,0,0|2,0,0]=4 427 B11R1.21 C=C(C)[C@@H]1CC[C@H](C(=O)C1)C CNP0183834.1 [0,1,0,1,0,0|2,0,0]=4 428 B11R1.21 C=C(C)[C@H]1CC[C@@H](C(=O)C1)C CNP0183834.5 [0,1,0,1,0,0|2,0,0]=4 429 B11R1.21 C=C(C)[C@H]1CC[C@H](C(=O)C1)C CNP0183834.3 [0,1,0,1,0,0|2,0,0]=4 430 B11R1.495 CC(=O)N[C@@H]1C(=O)OC[C@@H]1C CNP0171296.2 [0,1,0,1,0,0|1,0,0]=3 431 B11R1.495 CC(=O)N[C@H]1C(=O)OC[C@H]1C CNP0171296.1 [0,1,0,1,0,0|1,0,0]=3 432 B11R1.495 CC(=O)N[C@H]1C(=O)SC[C@H]1C CNP0584919.1 [0,1,0,1,0,0|1,1,0]=4 433 B11R1.489 CC1(OC(=O)C[C@@H]1C(=O)O)C CNP0141205.2 [0,1,0,1,0,0|1,0,0]=3 434 B11R1.489 CC1(OC(=O)C[C@H]1C(=O)O)C CNP0141205.1 [0,1,0,1,0,0|1,0,0]=3 435 B11R1.489 C[C@@H](O)[C@H]1CC(=O)OC1(C)C CNP0285624.1 [0,1,0,1,0,0|0,0,2]=4 436 B11R1.23 COC(=O)C1=CC(=O)OCC1 CNP0435092.0 [0,1,0,1,0,0|0,0,2]=4 437 B11R1.23 COC(=O)[C@H]1CCCC(=O)N1 CNP0329486.1 [0,1,0,1,0,0|2,0,0]=4 438 B11R1.228 CCC(=O)N[C@H]1CCSC1=O CNP0531335.1 [0,1,0,1,0,0|1,1,0]=4 439 B11R2.66 O=C1CN2C(=O)CCC2N1 CNP0577679.0 [0,0,0,2,0,0|2,0,0]=4 440 B11R2.66 O=C1C[C@@H]2C(=O)OC[C@@H]2O1 CNP0386488.1 [0,0,0,2,0,0|1,0,0]=3 441 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [1,0,0,0,1,0|1,0,1]=4 442 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [1,0,0,0,1,0|1,0,1]=4 443 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [1,0,0,0,1,0|1,0,0]=3 444 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [1,0,0,0,1,0|1,0,1]=4 445 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [1,0,0,0,1,0|1,0,0]=3 446 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [1,0,0,0,1,0|1,0,1]=4 447 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [1,0,0,0,1,0|2,0,0]=4 448 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [1,0,0,0,1,0|1,0,1]=4 449 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [1,0,0,0,1,0|1,0,1]=4 450 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [1,0,0,0,1,0|0,0,0]=2 451 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [1,0,0,0,1,0|1,0,0]=3 452 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [1,0,0,0,1,0|1,0,1]=4 453 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [1,0,0,0,1,0|0,1,1]=4 454 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [1,0,0,0,1,0|2,0,0]=4 455 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [1,0,0,0,1,0|1,0,1]=4 456 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [1,0,0,0,1,0|0,0,2]=4 457 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [1,0,0,0,1,0|2,0,0]=4 458 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [1,0,0,0,1,0|2,0,0]=4 459 B7R0.2 COC(=O)NC(=O)N CNP0291245.0 [1,0,0,0,1,0|2,0,0]=4 460 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [1,0,0,0,1,0|2,0,0]=4 461 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [0,0,0,0,2,0|1,0,0]=3 462 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [0,0,0,0,2,0|1,0,1]=4 463 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [0,0,0,0,2,0|0,0,2]=4 464 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,0,0,0,2,0|2,0,0]=4 465 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,0,0,0,2,0|1,0,0]=3 466 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,0,0,0,2,0|2,0,0]=4 467 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,0,0,0,2,0|2,0,0]=4 468 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,0,0,0,2,0|0,0,0]=2 469 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,0,0,0,2,0|1,0,1]=4 470 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [0,0,0,0,2,0|0,1,1]=4 471 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,0,0,0,2,0|0,0,2]=4 472 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,0,0,0,2,0|0,0,2]=4 473 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,0,0,0,2,0|1,0,1]=4 474 B11R0.176 CC(=O)OCCCC(=O)CCO CNP0357221.0 [0,0,0,0,0,2|2,0,0]=4 475 B11R0.176 CCOC(=O)CCCCC(C)C CNP0312915.0 [0,0,0,0,0,2|1,0,1]=4 476 B11R0.176 CCOC(=O)CCCC[C@H](C)O CNP0017820.1 [0,0,0,0,0,2|0,0,2]=4 477 B11R0.176 CCOC(=O)CCCSC(=O)C CNP0003277.0 [0,0,0,0,0,2|0,0,0]=2