0 B8R0.8 C=CCOC(=O)C(=O)Cl 1182AQ [0,0,0,0,0,0|2,0,2]=4 1 B8R0.8 CCCCC(C)C(C)=O 1634AB [0,0,0,0,0,0|1,0,1]=2 2 B8R0.8 CCCCC(O)C(=O)O 3592AH [0,0,0,0,0,0|1,0,2]=3 3 B8R0.8 CCCC[C@H](N)C(N)=O 7287AH [0,0,0,0,0,0|2,0,1]=3 4 B8R0.8 CCCOC(=O)C(C)C 8881AL [0,0,0,0,0,0|2,0,1]=3 5 B8R0.8 CCCOC(=O)C(C)O 8130AL [0,0,0,0,0,0|1,0,2]=3 6 B8R0.8 CCC\C=C(/C)C(=O)O 5705AL [0,0,0,0,0,0|2,0,1]=3 7 B8R0.8 CSCC[C@H](N)C(N)=O V1142 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.8 NCCC[C@H](N)C(=O)O 8160AL [0,0,0,0,0,0|3,0,1]=4 9 B7R0.3 CCCCC(=O)CC 7786AF [1,0,0,0,0,0|0,0,1]=2 10 B7R0.3 CCCCC(=O)NN X5269 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.3 CCCCC(Br)CC 6006AL [1,0,0,0,0,0|1,0,2]=4 12 B7R0.3 CCCNC(=O)CN V6930 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.3 CCCOC(=O)CBr U694 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.3 CCCOC(=O)CC 7524AF [1,0,0,0,0,0|1,0,1]=3 15 B7R0.3 COC(=O)CCCN 3563AL [1,0,0,0,0,0|2,0,0]=3 16 B7R0.3 NNC(=O)CCCO 2288AE [1,0,0,0,0,0|3,0,0]=4 17 B7R0.4 CC(=O)CCCCCl D718 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.4 CCCCSC(C)=O 3195AL [1,0,0,0,0,0|1,0,0]=2 19 B7R0.4 CCCOCC(=O)O 5344AE [1,0,0,0,0,0|2,0,1]=4 20 B7R0.4 CNCCCC(=O)O 2115AA [1,0,0,0,0,0|2,0,1]=4 21 B7R0.4 COCCCC(=O)O 2917AB [1,0,0,0,0,0|2,0,1]=4 22 B7R0.4 NCCCCC(=O)O 9495AB [1,0,0,0,0,0|2,0,1]=4 23 B7R0.5 CC(=O)N(C)CCO 4889AD [1,0,0,0,0,0|3,0,0]=4 24 B7R0.5 CCC[C@H](N)C(N)=O Z6420 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] 7067AL [0,1,0,0,0,0|2,0,1]=4 26 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] N727 [0,1,0,0,0,0|2,0,1]=4 27 B9R0.8 CCCCC(=O)N(C)OC 5475AA [0,1,0,0,0,0|1,0,1]=3 28 B9R0.8 CCCCC(N)C(=O)OC V7712 [0,1,0,0,0,0|1,0,1]=3 29 B9R0.8 CCCOC(=O)C(C)CC 4721AB [0,1,0,0,0,0|2,0,1]=4 30 B9R0.13 CCCCC(CC)C(=O)[O-] O278 [0,1,0,0,0,0|2,0,1]=4 31 B9R0.13 CCCCC(CC)C(=O)[O-] O279 [0,1,0,0,0,0|2,0,1]=4 32 B9R0.13 CCCCC(CC)C(=O)[O-] V1132 [0,1,0,0,0,0|2,0,1]=4 33 B9R0.42 CCC(C)NC(=O)C(=O)O 9984AE [0,1,0,0,0,0|2,0,0]=3 34 B9R0.47 C=C(C)C(=O)NCCCC 2777AB [0,1,0,0,0,0|1,0,0]=2 35 B9R0.47 C=C(C)C(=O)NCCCN W8119 [0,1,0,0,0,0|2,0,0]=3 36 B9R0.47 CCCCCC(N)C(=O)O 2079AA [0,1,0,0,0,0|2,0,1]=4 37 B9R0.47 CCCCC[C@@H](N)C(=O)O 6195AB [0,1,0,0,0,0|2,0,1]=4 38 B9R0.47 CCCCOC(=O)C(N)=O 8726AL [0,1,0,0,0,0|1,0,0]=2 39 B9R0.47 CCCCOC(=O)[C@H](C)N W5153 [0,1,0,0,0,0|1,0,1]=3 40 B9R0.47 CCSCC[C@@H](N)C(=O)O C618 [0,1,0,0,0,0|2,0,1]=4 41 B9R0.47 FC(F)=C(F)CCCCBr 3409AD [0,1,0,0,0,0|3,0,0]=4 42 B9R0.47 NCCCCC(N)C(=O)O 8604AJ [0,1,0,0,0,0|2,0,1]=4 43 B9R0.47 NCCCC[C@H](N)C(=O)O 9230AB [0,1,0,0,0,0|2,0,1]=4 44 B9R0.51 CCCCC(F)(F)C(=O)O 9180AA [0,1,0,0,0,0|2,0,1]=4 45 B9R1.5 CN1CCCNCC1=O W7308 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.5 NC1CCCCNC1=O W5198 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.5 N[C@@H]1CCCCNC1=O 2227AB [0,0,0,1,0,0|2,0,1]=4 48 B9R1.5 N[C@@H]1CCCCNC1=O W5158 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.5 N[C@H]1CCCCNC1=O V2119 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.6 CC(=O)C1=CCCCC1 7650AJ [0,0,0,1,0,0|1,0,0]=2 51 B9R1.6 CC(=O)C1CCNCC1 W9267 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.6 NC(=O)C1CCCCN1 X0387 [0,0,0,1,0,0|2,0,1]=4 53 B9R1.6 O=C(O)C1=CCCCO1 6288AJ [0,0,0,1,0,0|1,0,2]=4 54 B9R1.6 O=C(O)C1=CCCNC1 8985AB [0,0,0,1,0,0|3,0,0]=4 55 B9R1.6 O=C(O)C1=COCCC1 2840AE [0,0,0,1,0,0|3,0,0]=4 56 B9R1.6 O=C(O)C1CCCCO1 Y9295 [0,0,0,1,0,0|1,0,2]=4 57 B9R1.6 O=C(O)[C@@H]1CCCCN1 W4435 [0,0,0,1,0,0|2,0,1]=4 58 B9R1.23 CN1CC(CO)CC1=O 8923AB [0,0,0,1,0,0|3,0,0]=4 59 B9R1.35 CC(=O)N1CCC(O)C1 1505AB [0,0,0,1,0,0|3,0,0]=4 60 B9R1.35 CC(=O)N1CC[C@@H](N)C1 Z2268 [0,0,0,1,0,0|3,0,0]=4 61 B9R1.35 CC(=O)N1CC[C@@H](O)C1 4794AJ [0,0,0,1,0,0|3,0,0]=4 62 B9R1.35 CC(=O)N1CC[C@H](O)C1 V9420 [0,0,0,1,0,0|3,0,0]=4 63 B9R1.110 CN(C)C(=O)C1CNC1 3445AF [0,0,0,1,0,0|3,0,0]=4 64 B9R1.112 NC(CC1CC1)C(=O)O 7919AA [0,0,0,1,0,0|2,0,1]=4 65 B6R0.1 CCNC(=O)CC 8553AL [2,0,0,0,0,0|1,0,1]=4 66 B6R0.1 CCOC(=O)OC 7884AL [2,0,0,0,0,0|2,0,0]=4 67 B6R0.1 CNC(=O)CCN 4757AE [2,0,0,0,0,0|2,0,0]=4 68 B6R0.4 CCC#CC(C)=O 6057AL [2,0,0,0,0,0|0,0,2]=4 69 B6R0.4 CCCCC(=N)N 1867AA [2,0,0,0,0,0|2,0,0]=4 70 B6R0.4 CCCCC(=N)N 9567AA [2,0,0,0,0,0|2,0,0]=4 71 B6R0.4 CCCNC(N)=O P685 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.4 CCCOC(N)=O 9471AB [2,0,0,0,0,0|2,0,0]=4 73 B6R0.4 CCCSC(C)=O R568 [2,0,0,0,0,0|1,0,0]=3 74 B6R0.4 CCNCC(=O)O X5133 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.4 CSCCC(C)=O L760 [2,0,0,0,0,0|1,0,0]=3 76 B6R0.4 NC(=O)CCCCl Y1653 [2,0,0,0,0,0|2,0,0]=4 77 B6R0.4 NCCCC(N)=O 5556AA [2,0,0,0,0,0|2,0,0]=4 78 B6R0.6 CCCCSCC 7568AF [2,0,0,0,0,0|1,0,1]=4 79 B6R0.6 C\C=C/CCCO 7448AL [2,0,0,0,0,0|1,0,0]=3 80 B6R0.3 C=C(C)C(=O)NC 3763AL [2,0,0,0,0,0|2,0,0]=4 81 B6R0.3 CC(=O)C(=O)CBr W6757 [2,0,0,0,0,0|1,0,0]=3 82 B6R0.3 CCC(=O)C(C)=O 7386AF [2,0,0,0,0,0|0,0,0]=2 83 B6R0.3 O=C(O)C(=O)CBr 7040AD [2,0,0,0,0,0|2,0,0]=4 84 B8R0.1 CCCOC(=O)CCC 9026AJ [1,1,0,0,0,0|1,0,1]=4 85 B8R0.1 CCOC(=O)CCCI 1537AC [1,1,0,0,0,0|1,0,1]=4 86 B8R0.1 CCOC(=O)CCNC 7579AD [1,1,0,0,0,0|1,0,1]=4 87 B8R0.3 CCCC(=O)C(=O)OC 8222AL [1,1,0,0,0,0|1,0,1]=4 88 B8R0.3 COC(=O)C(C)CCCl 4098AD [1,1,0,0,0,0|2,0,0]=4 89 B8R0.6 CCCCCC(=O)CC 6144AL [1,1,0,0,0,0|0,0,1]=3 90 B8R0.6 CCCCCC(=O)NN 8224AD [1,1,0,0,0,0|2,0,0]=4 91 B8R0.6 CCCCNC(=O)CC 8516AL [1,1,0,0,0,0|0,0,1]=3 92 B8R0.6 CCC\C=C\C(=O)OC 6957AJ [1,1,0,0,0,0|1,0,1]=4 93 B8R0.6 COC(=O)CCCCN 3063AB [1,1,0,0,0,0|1,0,0]=3 94 B8R0.6 COC(=O)COCCCl 2910AC [1,1,0,0,0,0|2,0,0]=4 95 B8R0.11 CCC\C=C(\C=O)CC 5610AL [1,1,0,0,0,0|0,0,2]=4 96 B8R0.19 CC[C@H](O)CC(=O)OC 5880AB [1,1,0,0,0,0|1,0,0]=3 97 B8R0.7 C=CCCCOC(C)=O 6663AL [1,1,0,0,0,0|1,0,1]=4 98 B8R0.7 CC(=O)NCCCCN 8335AL [1,1,0,0,0,0|1,0,0]=3 99 B8R0.7 CC(=O)OCCCCBr 7492AF [1,1,0,0,0,0|1,0,0]=3 100 B8R0.7 CCCCCCC(=O)[O-] 7832AL [1,1,0,0,0,0|1,0,1]=4 101 B8R0.7 CCCC\C=C\C(C)=O 6146AL [1,1,0,0,0,0|0,0,0]=2 102 B8R0.7 NC(=O)CCCCCBr 8542AB [1,1,0,0,0,0|1,0,1]=4 103 B8R0.7 NCCCCCC(=O)O 5982AB [1,1,0,0,0,0|1,0,1]=4 104 B8R0.7 O=C(Cl)CCCCCBr 5957AH [1,1,0,0,0,0|1,0,1]=4 105 B8R0.28 CC(=O)CCCC(C)C 5697AC [1,1,0,0,0,0|0,0,1]=3 106 B8R0.28 CC(=O)CCOC(C)=O 0405AA [1,1,0,0,0,0|1,0,1]=4 107 B8R0.28 CC(=O)OCCN(C)C 6940AA [1,1,0,0,0,0|2,0,0]=4 108 B8R0.28 CC(=O)\C=C\CC(C)C 2964AL [1,1,0,0,0,0|0,0,1]=3 109 B8R0.23 C=C(C)C(=O)OC(C)C 8106AL [1,1,0,0,0,0|2,0,0]=4 110 B8R0.23 CC(C)CC(=O)C(=O)[O-] 5986AC [1,1,0,0,0,0|1,0,0]=3 111 B8R0.23 CC(C)CC(=O)N(C)C 5171AE [1,1,0,0,0,0|2,0,0]=4 112 B8R0.23 CC(C)NC(=O)C(=O)O 9278AD [1,1,0,0,0,0|2,0,0]=4 113 B10R0.96 CC(=O)CC(=O)CCC(=O)O 7197AB [0,1,0,0,0,1|1,0,1]=4 114 B10R0.19 CCCCC(=O)C(=O)OCC W7093 [0,2,0,0,0,0|0,0,0]=2 115 B10R0.83 CCCCCC(=O)N(C)OC 9830AB [0,2,0,0,0,0|1,0,1]=4 116 B10R0.88 CCCC[C@H](NC=O)C(=O)O 7010AH [0,2,0,0,0,0|1,0,1]=4 117 B8R1.2 O=CC1=CCCOC1 Z4103 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.3 O=C1CCC(O)CN1 W4138 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.5 CC1CCCNC1=O Y8918 [1,0,0,1,0,0|1,0,1]=4 120 B8R1.5 CC1CNCCC1=O W6393 [1,0,0,1,0,0|1,0,1]=4 121 B8R1.5 CN1CCCNC1=O 7411AC [1,0,0,1,0,0|2,0,0]=4 122 B8R1.5 CN1CCNCC1=O 1842AA [1,0,0,1,0,0|2,0,0]=4 123 B8R1.5 CN1CCNCC1=O 6558AD [1,0,0,1,0,0|2,0,0]=4 124 B8R1.5 CN1CCNCC1=O X7943 [1,0,0,1,0,0|2,0,0]=4 125 B8R1.22 O=C1C=CCCCC1 X8995 [1,0,0,1,0,0|0,0,1]=3 126 B8R1.22 O=C1CCOCCN1 0717AP [1,0,0,1,0,0|2,0,0]=4 127 B8R1.22 O=C1CCOCCO1 4654AL [1,0,0,1,0,0|2,0,0]=4 128 B8R1.38 COC(=O)C1CCC1 9430AE [1,0,0,1,0,0|1,0,0]=3 129 B8R1.38 COC(=O)C1CCN1 3825AJ [1,0,0,1,0,0|2,0,0]=4 130 B8R1.38 NNC(=O)C1CCC1 4590AF [1,0,0,1,0,0|2,0,0]=4 131 B8R1.50 CC1CCC(=O)C1=O 6795AA [1,0,0,1,0,0|0,0,0]=2 132 B8R1.4 CC1CC(=O)CCN1 6568AA [1,0,0,1,0,0|1,0,1]=4 133 B8R1.4 CC1CC(=O)CCO1 3309AA [1,0,0,1,0,0|1,0,1]=4 134 B8R1.4 CC1CCNC(=N)C1 1356AH [1,0,0,1,0,0|2,0,0]=4 135 B8R1.4 CN1CCOC(=O)C1 9637AA [1,0,0,1,0,0|2,0,0]=4 136 B8R1.4 O=C1CC(O)CCN1 V1296 [1,0,0,1,0,0|2,0,0]=4 137 B8R1.4 O=C1C[C@@H](O)CCN1 W6428 [1,0,0,1,0,0|2,0,0]=4 138 B8R1.7 O=C(Cl)N1CCCC1 0711AQ [1,0,0,1,0,0|2,0,0]=4 139 B8R1.34 O=C(O)CC1CCC1 W7672 [1,0,0,1,0,0|1,0,1]=4 140 B8R1.35 O=C(O)CCC1CC1 8214AB [1,0,0,1,0,0|1,0,1]=4 141 B8R1.18 C=C1CC(C)OC1=O 7069AL [1,0,0,1,0,0|2,0,0]=4 142 B10R1.61 CC(=O)N1CCCCC1=O W5499 [0,0,0,1,0,1|0,0,0]=2 143 B10R1.130 C=CCC1CC(=O)OC1=O 7044AL [0,0,0,1,0,1|0,0,2]=4 144 B10R1.23 CN(C)C(=O)C1CCCN1 3073AD [0,1,0,1,0,0|2,0,0]=4 145 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 Z2143 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.275 CN1CCCC[C@H](N)C1=O 6487AC [0,1,0,1,0,0|1,0,1]=4 147 B10R1.13 CC(=O)N1CCC(N)CC1 0887AB [0,1,0,1,0,0|2,0,0]=4 148 B10R1.15 CCC(=O)C1CCCCC1 2177AA [0,1,0,1,0,0|1,0,1]=4 149 B10R1.15 CNC(=O)C1CCCCN1 2898AD [0,1,0,1,0,0|1,0,1]=4 150 B10R1.15 COC(=O)C1=CCCCC1 9647AA [0,1,0,1,0,0|1,0,0]=3 151 B10R1.15 COC(=O)C1=CCNCC1 6880AJ [0,1,0,1,0,0|2,0,0]=4 152 B10R1.15 COC(=O)C1CCCCN1 P494 [0,1,0,1,0,0|1,0,1]=4 153 B10R1.15 COC(=O)N1CCCCC1 3586AL [0,1,0,1,0,0|2,0,0]=4 154 B10R1.15 COC(=O)[C@H]1CCCCN1 W6258 [0,1,0,1,0,0|1,0,1]=4 155 B10R1.15 NCC(=O)N1CCCCC1 5310AE [0,1,0,1,0,0|2,0,0]=4 156 B10R1.15 O=C(CBr)C1CCCCC1 W6993 [0,1,0,1,0,0|1,0,1]=4 157 B10R1.176 CCN1CCC(=O)C(C)C1 4551AB [0,1,0,1,0,0|1,0,1]=4 158 B10R1.411 COC(=O)C1(N)CCCC1 X3163 [0,1,0,1,0,0|1,0,1]=4 159 B10R1.113 CC(=O)N1CCCC(C)C1 1394AQ [0,1,0,1,0,0|2,0,0]=4