0 B8R0.6 C#C[C@@H](O)CCCCC 4835AJ [0,0,0,0,0,0|1,0,3]=4 1 B8R0.6 C=CCCCC(=O)OC 6778AL [0,0,0,0,0,0|0,0,2]=2 2 B8R0.6 CCCCNC(=O)CN 7049AD [0,0,0,0,0,0|3,0,0]=3 3 B8R0.6 CCCCOC(=O)CF 1832AE [0,0,0,0,0,0|3,0,0]=3 4 B8R0.6 CCCCOC(=O)CN 3583AD [0,0,0,0,0,0|3,0,0]=3 5 B8R0.6 CCOCCC(=O)NN 2006AE [0,0,0,0,0,0|3,0,0]=3 6 B8R0.6 COC(=O)CCCCN 9801AB [0,0,0,0,0,0|1,0,0]=1 7 B8R0.6 COC(=O)CCCCO Z9406 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.6 COCCNC(=O)CN 2350AD [0,0,0,0,0,0|4,0,0]=4 9 B8R0.6 NCC(=O)NCCCO 2231AD [0,0,0,0,0,0|4,0,0]=4 10 B7R0.1 CCC#CCCCC 7931AF [1,0,0,0,0,0|1,0,2]=4 11 B7R0.1 CCCCCC[Mg]Br 8700AJ [1,0,0,0,0,0|2,0,1]=4 12 B7R0.1 CCCC\C=C\CO 9204AL [1,0,0,0,0,0|2,0,1]=4 13 B7R0.1 CCCNCCOC X4577 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.1 CCNCCOCC 2091AE [1,0,0,0,0,0|3,0,0]=4 15 B7R0.1 CC\C=C\CCCC 9221AL [1,0,0,0,0,0|1,0,1]=3 16 B7R0.1 CNCCCCOC AMTGC537 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.1 COCCOCCCl AMTGC469 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.1 COCCOCCS 1037AQ [1,0,0,0,0,0|2,0,1]=4 19 B7R0.1 C\C=C/CCCCC 7427AL [1,0,0,0,0,0|1,0,0]=2 20 B7R0.1 C\C=C\CCCCC 7960AF [1,0,0,0,0,0|1,0,0]=2 21 B7R0.3 C=C(CC)CCCC 5608AL [1,0,0,0,0,0|2,0,0]=3 22 B7R0.3 CCC(=O)NCCN 3366AF [1,0,0,0,0,0|3,0,0]=4 23 B7R0.3 CCCCC(C)CC 6251AE [1,0,0,0,0,0|2,0,1]=4 24 B7R0.3 CCCCC(O)CC 8762AB [1,0,0,0,0,0|1,0,2]=4 25 B7R0.3 CCCNC(=O)CN V6930 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.3 CCC\C=C(/C)CC 6104AL [1,0,0,0,0,0|2,0,1]=4 27 B7R0.3 CCNCC(=O)OC 2143AA [1,0,0,0,0,0|1,0,0]=2 28 B7R0.3 CCNCC(=O)OC 2988AC [1,0,0,0,0,0|1,0,0]=2 29 B7R0.3 CCOCC(=O)NN 2388AE [1,0,0,0,0,0|3,0,0]=4 30 B7R0.3 CNCCC(=O)NC 5845AE [1,0,0,0,0,0|2,0,0]=3 31 B7R0.3 COC(=N)CCCCl 2164AC [1,0,0,0,0,0|2,0,0]=3 32 B7R0.3 COC(=O)C#CCO 3414AB [1,0,0,0,0,0|1,0,2]=4 33 B7R0.3 COC(=O)CCC=O W3030 [1,0,0,0,0,0|1,0,1]=3 34 B7R0.3 COC(=O)CCCS X9990 [1,0,0,0,0,0|1,0,0]=2 35 B7R0.3 C\C=C\CC(=O)OC 9761AJ [1,0,0,0,0,0|0,0,2]=3 36 B7R0.4 C=C(C)CCCCC 5698AL [1,0,0,0,0,0|1,0,0]=2 37 B7R0.4 C=CCCOC(C)=O 3121AL [1,0,0,0,0,0|1,0,2]=4 38 B7R0.4 CC(=O)NCCCN V6432 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.4 CC(=O)NCCCO 8280AC [1,0,0,0,0,0|2,0,0]=3 40 B7R0.4 CC(C)CCCCO 6988AE [1,0,0,0,0,0|2,0,1]=4 41 B7R0.4 CCCCCC(C)C 5733AL [1,0,0,0,0,0|1,0,1]=3 42 B7R0.4 CCCCCC(C)Cl 5577AL [1,0,0,0,0,0|1,0,1]=3 43 B7R0.4 CCCCNC(C)C 2334AE [1,0,0,0,0,0|2,0,1]=4 44 B7R0.4 CCCSCC(=O)O 6980AD [1,0,0,0,0,0|1,0,0]=2 45 B7R0.4 CCOCCC(C)=O 6489AL [1,0,0,0,0,0|1,0,0]=2 46 B7R0.4 CC\C=C\CC(=O)O 7477AF [1,0,0,0,0,0|0,0,2]=3 47 B7R0.4 CN(C)CCCCN 1354AE [1,0,0,0,0,0|3,0,0]=4 48 B7R0.4 CNCCCC(=O)O 2115AA [1,0,0,0,0,0|1,0,0]=2 49 B7R0.4 COCC#CC(=O)O 2855AJ [1,0,0,0,0,0|1,0,2]=4 50 B7R0.4 N#CCCCC(=O)O W5958 [1,0,0,0,0,0|1,0,1]=3 51 B7R0.4 NC(=O)CSCCO 6778AD [1,0,0,0,0,0|3,0,0]=4 52 B9R0.1 CC(O)CCNC(=O)CN 2340AD [0,1,0,0,0,0|3,0,0]=4 53 B9R0.1 COC(=O)CCC[N+](=O)[O-] Z9740 [0,1,0,0,0,0|2,0,0]=3 54 B9R0.1 COC(=O)CCNC(C)=O 3347AB [0,1,0,0,0,0|1,0,1]=3 55 B9R0.1 COC(=O)\C=C\CC(C)C 9254AE [0,1,0,0,0,0|0,0,2]=3 56 B9R0.5 C=CCCCC(=O)OCC 5392AE [0,1,0,0,0,0|0,0,2]=3 57 B9R0.5 CCCCCC(C)CCC 6610AL [0,1,0,0,0,0|2,0,1]=4 58 B9R0.5 CCCCNC(=O)CCN 2211AD [0,1,0,0,0,0|2,0,0]=3 59 B9R0.5 CCCCNC(=O)CNC 8713AD [0,1,0,0,0,0|2,0,0]=3 60 B9R0.5 CCCNCC(=O)OCC 0138AP [0,1,0,0,0,0|1,0,0]=2 61 B9R0.5 CCOC(=O)CCN=C=O 4558AE [0,1,0,0,0,0|2,0,1]=4 62 B9R0.5 CCOC(=O)CNCCN V4614 [0,1,0,0,0,0|2,0,0]=3 63 B9R0.5 CNCC(=O)NCCCO 1886AD [0,1,0,0,0,0|3,0,0]=4 64 B9R0.5 NCCC(=O)NCCCO 2230AD [0,1,0,0,0,0|3,0,0]=4 65 B9R0.8 CCCCN(C)C(=O)CN 5553AD [0,1,0,0,0,0|3,0,0]=4 66 B9R0.20 CCCCCC(C)(O)CC 8146AF [0,1,0,0,0,0|1,0,2]=4 67 B9R0.34 CCCC(C)CC(C)CC 5939AL [0,1,0,0,0,0|2,0,1]=4 68 B9R0.46 C=CCNCCC(=O)OC 1963AE [0,1,0,0,0,0|0,0,2]=3 69 B9R0.46 CCC(C)CCCCCO 4988AB [0,1,0,0,0,0|2,0,1]=4 70 B9R0.46 CCCCCNC(=O)CCl 0195AE [0,1,0,0,0,0|2,0,0]=3 71 B9R0.46 CCCNCCC(=O)NC 7922AC [0,1,0,0,0,0|1,0,0]=2 72 B9R0.46 CCCNCCC(=O)OC 4406AE [0,1,0,0,0,0|0,0,0]=1 73 B9R0.46 COCCCNC(=O)CN 1532AD [0,1,0,0,0,0|3,0,0]=4 74 B9R0.46 O=C(CBr)OCCCCBr V3894 [0,1,0,0,0,0|3,0,0]=4 75 B9R0.47 CC(N)C(=O)NCCCO 2760AD [0,1,0,0,0,0|3,0,0]=4 76 B9R0.47 CCCCCC(O)C(C)C 5714AL [0,1,0,0,0,0|1,0,2]=4 77 B9R0.47 CCCCNC(=O)C(C)N 7164AE [0,1,0,0,0,0|2,0,0]=3 78 B9R0.47 COCCNC(=O)C(C)N 2847AD [0,1,0,0,0,0|3,0,0]=4 79 B9R0.50 CCN(CCCCO)N=O 8550AL [0,1,0,0,0,0|3,0,0]=4 80 B9R1.1 CCC1CCC(C)CC1 4854AL [0,0,0,1,0,0|2,0,1]=4 81 B9R1.1 O=C1CCC(CO)CN1 7233AA [0,0,0,1,0,0|2,0,0]=3 82 B9R1.1 O=CC1CCC(=O)CC1 6740AC [0,0,0,1,0,0|2,0,1]=4 83 B9R1.2 CCC1CCCC(C)C1 4845AL [0,0,0,1,0,0|2,0,1]=4 84 B9R1.2 COC1=CCCN(C)C1 6375AJ [0,0,0,1,0,0|2,0,1]=4 85 B9R1.7 CCCC1CNC(=O)C1 2594AF [0,0,0,1,0,0|1,0,0]=2 86 B9R1.7 COC[C@H]1CNC(=O)O1 1743AB [0,0,0,1,0,0|3,0,0]=4 87 B9R1.7 COC[C@H]1COC(=O)O1 4184AL [0,0,0,1,0,0|2,0,0]=3 88 B9R1.11 CNC(=O)C1CCCC1 3843AE [0,0,0,1,0,0|1,0,0]=2 89 B9R1.11 CNC(=O)C1CCNC1 7267AC [0,0,0,1,0,0|2,0,0]=3 90 B9R1.11 COC(=O)C1CCCC1 6360AB [0,0,0,1,0,0|0,0,0]=1 91 B9R1.11 COC(=O)C1CCCN1 7330AB [0,0,0,1,0,0|1,0,0]=2 92 B9R1.11 COC(=O)[C@@H]1CCNC1 5916AB [0,0,0,1,0,0|1,0,0]=2 93 B9R1.11 NNC(=O)C1CCCC1 0862AE [0,0,0,1,0,0|2,0,0]=3 94 B9R1.11 NNC(=O)C1CCOC1 8824AB [0,0,0,1,0,0|3,0,0]=4 95 B9R1.11 [C@H]1(C(=O)OC)CCNC1 0998AB [0,0,0,1,0,0|1,0,0]=2 96 B9R1.49 CN1CCCC(=O)CC1 W4017 [0,0,0,1,0,0|2,0,0]=3 97 B9R1.50 NC1CCCCCCC1 7979AF [0,0,0,1,0,0|2,0,1]=4 98 B9R1.79 CCC(=O)OC1CNC1 2357AD [0,0,0,1,0,0|3,0,0]=4 99 B9R1.79 COC(=O)CC1CNC1 4710AC [0,0,0,1,0,0|1,0,0]=2 100 B9R1.79 NCC(=O)NC1CCC1 4992AH [0,0,0,1,0,0|3,0,0]=4 101 B9R1.80 O=C(CCl)NCC1CC1 4816AE [0,0,0,1,0,0|3,0,0]=4 102 B9R1.89 ONC1=NCCCCC1 6477AD [0,0,0,1,0,0|3,0,0]=4 103 B9R1.118 COC1(C)CCNCC1 5227AB [0,0,0,1,0,0|2,0,1]=4 104 B6R0.6 C=CCSCCC R577 [2,0,0,0,0,0|1,0,1]=4 105 B6R0.6 CC#CCCCC 5638AL [2,0,0,0,0,0|0,0,2]=4 106 B6R0.6 CCCCCC#N 8042AL [2,0,0,0,0,0|1,0,1]=4 107 B6R0.6 CCCCCSC 7567AF [2,0,0,0,0,0|0,1,0]=3 108 B6R0.6 CCCCOCC 7302AL [2,0,0,0,0,0|1,0,1]=4 109 B6R0.6 CCCOCCC 7558AF [2,0,0,0,0,0|1,0,1]=4 110 B6R0.6 CCCSCCC 7569AF [2,0,0,0,0,0|1,0,1]=4 111 B6R0.6 CCNCCCO 5711AJ [2,0,0,0,0,0|1,0,1]=4 112 B6R0.6 CCOCCCO D587 [2,0,0,0,0,0|1,0,1]=4 113 B6R0.6 CCOCCNC 5385AD [2,0,0,0,0,0|2,0,0]=4 114 B6R0.6 CC\C=C\CCC 9219AL [2,0,0,0,0,0|1,0,1]=4 115 B6R0.6 COCCCCN AMTGC536 [2,0,0,0,0,0|1,0,0]=3 116 B6R0.6 C\C=C/CCCC 7422AL [2,0,0,0,0,0|0,0,1]=3 117 B6R0.6 C\C=C/CCCCl 7455AL [2,0,0,0,0,0|1,0,1]=4 118 B6R0.6 C\C=C\CCCC 7780AF [2,0,0,0,0,0|0,0,1]=3 119 B6R0.6 C\C=C\SCCC U946 [2,0,0,0,0,0|1,0,1]=4 120 B6R0.6 O=CCCCCO Z3600 [2,0,0,0,0,0|1,0,0]=3 121 B6R0.6 [C-]#[N+]CCCOC Y2595 [2,0,0,0,0,0|1,0,1]=4 122 B6R0.1 C#CCC(=O)OC 3698AB [2,0,0,0,0,0|0,0,2]=4 123 B6R0.1 CC#CC(=O)OC X7106 [2,0,0,0,0,0|0,0,2]=4 124 B6R0.1 CCC(=O)CSC K829 [2,0,0,0,0,0|2,0,0]=4 125 B6R0.1 CCCC(=O)SC 8847AJ [2,0,0,0,0,0|0,1,0]=3 126 B6R0.1 CNC(=O)CCN 4757AE [2,0,0,0,0,0|2,0,0]=4 127 B6R0.1 CNC(=O)CCO 8079AE [2,0,0,0,0,0|2,0,0]=4 128 B6R0.1 COC(=O)CCCl X6204 [2,0,0,0,0,0|1,0,0]=3 129 B6R0.1 COCC(=O)OC J70196 [2,0,0,0,0,0|1,0,0]=3 130 B6R0.4 C=C(C)CCCC 5699AL [2,0,0,0,0,0|1,0,0]=3 131 B6R0.4 C=C(C)CCCO 2774AL [2,0,0,0,0,0|2,0,0]=4 132 B6R0.4 CC(=O)NCCCl W8163 [2,0,0,0,0,0|2,0,0]=4 133 B6R0.4 CC(=O)OCCCl 7237AF [2,0,0,0,0,0|2,0,0]=4 134 B6R0.4 CC(=O)SCCN 5884AD [2,0,0,0,0,0|2,0,0]=4 135 B6R0.4 CCCC=C(C)C 5704AL [2,0,0,0,0,0|1,0,1]=4 136 B6R0.4 CCCCC(=O)Br 7391AF [2,0,0,0,0,0|1,0,0]=3 137 B6R0.4 CCCCC(C)C 5734AL [2,0,0,0,0,0|1,0,1]=4 138 B6R0.4 CCCCC(C)Cl 5578AL [2,0,0,0,0,0|1,0,1]=4 139 B6R0.4 CCCCC(C)O 9467AB [2,0,0,0,0,0|0,0,2]=4 140 B6R0.4 CCNCC(=O)O X5133 [2,0,0,0,0,0|1,0,0]=3 141 B6R0.4 CNCCC(=O)O 5026AF [2,0,0,0,0,0|1,0,0]=3 142 B6R0.4 COCCC(C)=O B939 [2,0,0,0,0,0|1,0,0]=3 143 B6R0.4 CSSCC(=O)O KMA0116 [2,0,0,0,0,0|2,0,0]=4 144 B6R0.4 NC(=O)CCCCl Y1653 [2,0,0,0,0,0|2,0,0]=4 145 B6R0.4 O=C(O)CCCS 7264AF [2,0,0,0,0,0|1,0,0]=3 146 B8R0.1 CCCCC(Br)CCC 7975AF [1,1,0,0,0,0|1,0,1]=4 147 B8R0.1 C\C=C\C(=O)CCCC 5771AL [1,1,0,0,0,0|1,0,1]=4 148 B8R0.4 CCC#CCCCCC 6141AL [1,1,0,0,0,0|1,0,1]=4 149 B8R0.4 CCCCCC#CCCl 4813AL [1,1,0,0,0,0|1,0,1]=4 150 B8R0.4 CCCCCCCCC 8936AJ [1,1,0,0,0,0|1,0,1]=4 151 B8R0.4 CCCCCCCSC 8022AL [1,1,0,0,0,0|0,1,1]=4 152 B8R0.4 CCCCCOCCO 6511AH [1,1,0,0,0,0|2,0,0]=4 153 B8R0.4 CCCNCCCNC 4534AE [1,1,0,0,0,0|1,0,1]=4 154 B8R0.4 CCC\C=C/CCCC 7450AL [1,1,0,0,0,0|1,0,1]=4 155 B8R0.4 CC\C=C/CCCCO 7454AL [1,1,0,0,0,0|1,0,1]=4 156 B8R0.4 CNCCCCCCO 4396AE [1,1,0,0,0,0|1,0,1]=4 157 B8R0.4 COCCCCCOC 4651AL [1,1,0,0,0,0|0,0,1]=3 158 B8R0.4 COCCNCCCN 6292AD [1,1,0,0,0,0|1,0,1]=4 159 B8R0.4 COCCOCCCBr 5812AL [1,1,0,0,0,0|1,0,1]=4 160 B8R0.4 C\C=C\CCCCCC 9212AL [1,1,0,0,0,0|1,0,0]=3 161 B8R0.7 CCCCCC[C@H](C)O D263 [1,1,0,0,0,0|1,0,1]=4 162 B8R0.3 C#CC[C@H](N)C(=O)OC 8457AA [1,1,0,0,0,0|0,0,2]=4 163 B8R0.3 C=CCC(N)C(=O)OC 4218AJ [1,1,0,0,0,0|0,0,2]=4 164 B8R0.3 C=CC[C@@H](N)C(=O)OC 1043AB [1,1,0,0,0,0|0,0,2]=4 165 B8R0.3 CCCC(N)C(=O)NC 1487AF [1,1,0,0,0,0|1,0,0]=3 166 B8R0.3 CNCC(C)C(=O)OC Z2743 [1,1,0,0,0,0|1,0,0]=3 167 B8R0.8 CCCCC(=O)C(C)C 5543AA [1,1,0,0,0,0|1,0,0]=3 168 B8R0.8 CCCOC(=O)[C@H](C)O 7652AB [1,1,0,0,0,0|2,0,0]=4 169 B8R0.8 CN(C)C(=O)CCCCl 7775AD [1,1,0,0,0,0|2,0,0]=4 170 B8R0.9 CCC(=O)CCC(C)=O 8738AA [1,1,0,0,0,0|1,0,1]=4 171 B8R0.9 CCC(=O)CCC(C)C 7962AF [1,1,0,0,0,0|1,0,0]=3 172 B8R0.9 COC(=O)CNC(C)=O 3516AL [1,1,0,0,0,0|1,0,1]=4 173 B8R0.19 CC[C@H](O)CC(=O)OC 5880AB [1,1,0,0,0,0|0,0,0]=2 174 B8R0.19 COC(=O)C[C@H](O)CO 5051AC [1,1,0,0,0,0|1,0,0]=3 175 B8R0.5 C#CC[C@@H](N)CC(=O)O 3836AB [1,1,0,0,0,0|0,0,2]=4 176 B8R0.5 C#CC[C@H](N)CC(=O)O 3835AB [1,1,0,0,0,0|0,0,2]=4 177 B8R0.5 C=C(C)CC(C)CCC 5311AL [1,1,0,0,0,0|1,0,0]=3 178 B8R0.5 C=CC[C@@H](N)CC(=O)O Z5979 [1,1,0,0,0,0|0,0,2]=4 179 B8R0.5 C=CC[C@H](N)CC(=O)O Z5808 [1,1,0,0,0,0|0,0,2]=4 180 B8R0.5 CCCC(C)CC(C)C 5321AL [1,1,0,0,0,0|1,0,1]=4 181 B8R0.5 COCC(=O)CC(C)=O W7487 [1,1,0,0,0,0|1,0,1]=4 182 B8R0.21 COCCCS(=O)(=O)O 5909AJ [1,1,0,0,0,0|2,0,0]=4 183 B8R0.28 C=C(C)CCCC(=O)O X3484 [1,1,0,0,0,0|0,0,1]=3 184 B8R0.28 CC(=O)CCOC(C)C 6552AL [1,1,0,0,0,0|1,0,0]=3 185 B8R0.28 CC(=O)SCCC(=O)O 0636AQ [1,1,0,0,0,0|1,0,1]=4 186 B8R0.28 CC(C)NCCC(N)=O 6779AD [1,1,0,0,0,0|2,0,0]=4 187 B8R0.28 NC(=O)CCCC(=O)O 8447AD [1,1,0,0,0,0|1,0,1]=4 188 B10R0.3 CC(O)CCNC(=O)CCN 2226AD [0,2,0,0,0,0|2,0,0]=4 189 B10R0.3 CCNC(=O)CCNC(C)C 7919AC [0,2,0,0,0,0|2,0,0]=4 190 B10R0.3 CCOC(=O)CNCC(C)C 4002AJ [0,2,0,0,0,0|1,0,0]=3 191 B10R0.3 CCOC(=O)CSCC(C)=O 7389AE [0,2,0,0,0,0|1,0,1]=4 192 B10R0.3 CNCC(=O)NCCC(C)O 2343AD [0,2,0,0,0,0|2,0,0]=4 193 B10R0.59 CCC(C)NCCC(=O)OC 7317AD [0,2,0,0,0,0|0,0,0]=2 194 B10R0.60 COC(=O)CCCS(=O)(=O)Cl 4264AJ [0,2,0,0,0,0|2,0,0]=4 195 B10R0.60 COC(=O)CCNC(C)(C)C 7318AD [0,2,0,0,0,0|1,0,0]=3 196 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 3262AB [0,2,0,0,0,0|1,0,1]=4 197 B10R0.82 COC(=O)CNC(=O)[C@H](C)N W6635 [0,2,0,0,0,0|1,0,1]=4 198 B10R0.98 CC(O)CCNC(=O)C(C)N 3098AD [0,2,0,0,0,0|2,0,0]=4 199 B10R0.1 C=CCNCCC(=O)OCC 3858AE [0,2,0,0,0,0|0,0,2]=4 200 B10R0.1 CCCNCCC(=O)NCC 7923AC [0,2,0,0,0,0|1,0,0]=3 201 B10R0.1 CCCNCCC(=O)OCC 0093AE [0,2,0,0,0,0|0,0,0]=2 202 B10R0.1 CCOC(=O)CNCCC#N 3321AL [0,2,0,0,0,0|1,0,1]=4 203 B10R0.1 COCCCNC(=O)CCN 2344AD [0,2,0,0,0,0|2,0,0]=4 204 B10R0.2 CCOC(=O)CC(=O)COC 0252AC [0,2,0,0,0,0|1,0,1]=4 205 B10R0.6 CCCCCC(=O)CC(C)=O 6753AE [0,2,0,0,0,0|1,0,0]=3 206 B10R0.19 CCCCN(C)C(=O)CCN 2233AD [0,2,0,0,0,0|2,0,0]=4 207 B10R0.19 CCCCN(C)C(=O)CNC 2298AD [0,2,0,0,0,0|2,0,0]=4 208 B10R0.83 CCCCOC(=O)[C@@H](O)CC X9834 [0,2,0,0,0,0|2,0,0]=4 209 B10R0.83 COC(=O)[C@H](N)CCCCN 9780AA [0,2,0,0,0,0|0,0,0]=2 210 B10R0.91 CCCCCC(=O)\C=C\C=O 1416AH [0,2,0,0,0,0|1,0,1]=4 211 B10R0.81 CCCCN(C)C(=O)C(C)N 2893AD [0,2,0,0,0,0|2,0,0]=4 212 B10R0.85 CCCCC(CC)C(=O)NN 2963AE [0,2,0,0,0,0|2,0,0]=4 213 B10R0.124 COC(=O)C(C)(C)CCCCl 1410AC [0,2,0,0,0,0|1,0,0]=3 214 B10R0.45 CCC(C=O)CCC(=O)OC 2820AJ [0,2,0,0,0,0|0,0,0]=2 215 B10R0.18 CCCCC(=O)CC(=O)OC 5240AB [0,2,0,0,0,0|0,0,0]=2 216 B10R0.18 COCCC(=O)CC(=O)OC 9413AB [0,2,0,0,0,0|0,0,1]=3 217 B10R0.55 COC(=O)CSCCC(N)=S 5744AD [0,2,0,0,0,0|1,0,1]=4 218 B10R0.74 CCCCCCCC(=O)CC 5762AF [0,2,0,0,0,0|1,0,0]=3 219 B10R0.74 CCC\C=C\COC(=O)CC 8877AL [0,2,0,0,0,0|1,0,1]=4 220 B10R0.74 CCOCCCNC(=O)CCl 7671AC [0,2,0,0,0,0|2,0,0]=4 221 B10R0.74 CCOCCCNC(=O)CN 1540AD [0,2,0,0,0,0|2,0,0]=4 222 B10R0.74 CC\C=C/CCOC(=O)CC 3899AB [0,2,0,0,0,0|1,0,1]=4 223 B10R0.74 CNC(=O)CCNCCCO 7931AC [0,2,0,0,0,0|1,0,0]=3 224 B10R0.74 CNC(=O)CCNCCOC 7100AC [0,2,0,0,0,0|1,0,0]=3 225 B10R0.74 COC(=O)CCNCCCO 8073AC [0,2,0,0,0,0|0,0,0]=2 226 B10R0.74 COCCNCCC(=O)NN 7909AC [0,2,0,0,0,0|2,0,0]=4 227 B10R0.74 COCCNCCC(=O)OC 5596AE [0,2,0,0,0,0|0,0,0]=2 228 B10R0.74 NNC(=O)CCNCCCO 7887AC [0,2,0,0,0,0|2,0,0]=4 229 B10R0.75 CCOCCOC(=O)C(C)C 5603AL [0,2,0,0,0,0|2,0,0]=4 230 B10R0.75 COCCCNC(=O)C(C)N 2932AD [0,2,0,0,0,0|2,0,0]=4 231 B10R0.5 CCCCNC(=O)C(C)(C)N 2212AD [0,2,0,0,0,0|2,0,0]=4 232 B8R1.2 BrCC1CCCOC1 2659AA [1,0,0,1,0,0|1,0,1]=4 233 B8R1.2 CCC1CCCCC1 8567AA [1,0,0,1,0,0|1,0,1]=4 234 B8R1.2 CCC1CCCNC1 6423AA [1,0,0,1,0,0|1,0,1]=4 235 B8R1.2 CC[C@H]1COCCN1 1076AB [1,0,0,1,0,0|1,0,1]=4 236 B8R1.2 CNC1CCCOC1 2031AJ [1,0,0,1,0,0|1,0,1]=4 237 B8R1.2 CNC1CCCOC1 4420AJ [1,0,0,1,0,0|1,0,1]=4 238 B8R1.2 COC1CCCCC1 7515AL [1,0,0,1,0,0|0,0,1]=3 239 B8R1.5 CC1CCCCC1C 4454AL [1,0,0,1,0,0|1,0,1]=4 240 B8R1.5 CC1CCCNC1C 7615AB [1,0,0,1,0,0|2,0,0]=4 241 B8R1.5 C[C@H]1CCCC[C@@H]1C 9189AL [1,0,0,1,0,0|1,0,1]=4 242 B8R1.5 C[C@H]1CCCC[C@H]1C 7956AF [1,0,0,1,0,0|1,0,1]=4 243 B8R1.8 CCCC1CCNC1 9744AC [1,0,0,1,0,0|1,0,1]=4 244 B8R1.8 CCNC1CCCC1 0012AD [1,0,0,1,0,0|2,0,0]=4 245 B8R1.8 CNCC1CCCC1 7687AE [1,0,0,1,0,0|1,0,1]=4 246 B8R1.8 CNCC1CCCC1 8911AH [1,0,0,1,0,0|1,0,1]=4 247 B8R1.8 CNCC1CCOC1 8650AE [1,0,0,1,0,0|1,0,1]=4 248 B8R1.8 COC[C@@H]1CCNC1 8987AH [1,0,0,1,0,0|1,0,1]=4 249 B8R1.8 COC[C@H]1CCNC1 9152AH [1,0,0,1,0,0|1,0,1]=4 250 B8R1.1 O=C1CC(CO)CN1 7314AE [1,0,0,1,0,0|2,0,0]=4 251 B8R1.1 O=C1CCC(CO)C1 W1896 [1,0,0,1,0,0|2,0,0]=4 252 B8R1.3 CC1CNC(=O)CO1 6453AJ [1,0,0,1,0,0|2,0,0]=4 253 B8R1.3 CN1CCC(=O)CC1 A394 [1,0,0,1,0,0|2,0,0]=4 254 B8R1.3 NC1CCC(=O)NC1 7736AA [1,0,0,1,0,0|2,0,0]=4 255 B8R1.3 N[C@H]1CCC(=O)NC1 0353AC [1,0,0,1,0,0|2,0,0]=4 256 B8R1.3 O=C1CC[C@@H](O)CN1 X8626 [1,0,0,1,0,0|2,0,0]=4 257 B8R1.38 COC(=O)C1CCN1 3825AJ [1,0,0,1,0,0|1,0,0]=3 258 B8R1.38 COC(=O)C1CCN1 6194AA [1,0,0,1,0,0|1,0,0]=3 259 B8R1.50 CN1C(=O)CCC1O 5649AB [1,0,0,1,0,0|2,0,0]=4 260 B8R1.4 CC1CC(=O)CCN1 1072AC [1,0,0,1,0,0|1,0,0]=3 261 B8R1.4 CC1CC(=O)CCN1 6568AA [1,0,0,1,0,0|1,0,0]=3 262 B8R1.4 CC1CCCC(N)C1 W7860 [1,0,0,1,0,0|1,0,1]=4 263 B8R1.4 CC1CNCC(=O)N1 3610AJ [1,0,0,1,0,0|2,0,0]=4 264 B8R1.4 CC1COCC(=O)N1 V7159 [1,0,0,1,0,0|2,0,0]=4 265 B8R1.4 CN1CCCC(=O)C1 9933AH [1,0,0,1,0,0|1,0,0]=3 266 B8R1.4 CN1CCCC(=O)C1 9934AH [1,0,0,1,0,0|1,0,0]=3 267 B8R1.4 CN1CCCC(=O)C1 W6919 [1,0,0,1,0,0|1,0,0]=3 268 B8R1.4 C[C@@H]1CCC[C@@H](C)C1 9192AL [1,0,0,1,0,0|1,0,1]=4 269 B8R1.4 C[C@@H]1CNCC(=O)N1 9027AH [1,0,0,1,0,0|2,0,0]=4 270 B8R1.4 C[C@H]1CCC[C@@H](C)C1 7412AL [1,0,0,1,0,0|1,0,1]=4 271 B8R1.4 O=C1C[C@@H](O)CCN1 W6428 [1,0,0,1,0,0|2,0,0]=4 272 B8R1.7 CC(=O)C1CCNC1 Y4441 [1,0,0,1,0,0|1,0,0]=3 273 B8R1.7 CC(N)C1CCCC1 9818AH [1,0,0,1,0,0|1,0,1]=4 274 B8R1.7 NC(=O)C1CCCN1 Y8548 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.7 NC(=O)C1CCNC1 Z4774 [1,0,0,1,0,0|2,0,0]=4 276 B8R1.7 NC(=O)[C@@H]1CCNC1 Z9357 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.7 NC(=O)[C@H]1CCNC1 4853AJ [1,0,0,1,0,0|2,0,0]=4 278 B8R1.7 NC(=S)C1CCCC1 Y9069 [1,0,0,1,0,0|1,1,0]=4 279 B8R1.7 O=C(O)[C@@H]1CCCN1 2188AC [1,0,0,1,0,0|1,0,0]=3 280 B8R1.7 O=C(O)[C@H]1CCOC1 Z1983 [1,0,0,1,0,0|1,0,0]=3 281 B8R1.34 CC(=O)CC1COC1 0990AD [1,0,0,1,0,0|1,0,0]=3 282 B8R1.34 CC(=O)OC1CNC1 9055AE [1,0,0,1,0,0|2,0,0]=4 283 B8R1.34 O=C(O)C=C1CCC1 1680AJ [1,0,0,1,0,0|0,0,2]=4 284 B8R1.34 O=C(O)CC1COC1 3631AD [1,0,0,1,0,0|1,0,0]=3 285 B8R1.35 O=C(O)C#CC1CC1 0479AQ [1,0,0,1,0,0|0,0,2]=4 286 B8R1.35 O=C(O)CNC1CC1 0701AA [1,0,0,1,0,0|1,0,0]=3 287 B8R1.72 CC1(N)CCCCC1 X6756 [1,0,0,1,0,0|1,0,1]=4 288 B10R1.13 CN(C)C1CCC(=O)CC1 5509AB [0,1,0,1,0,0|2,0,0]=4 289 B10R1.14 COC(=O)C1CCC(N)C1 5832AA [0,1,0,1,0,0|0,0,0]=2 290 B10R1.14 COC(=O)N1CCC(=O)C1 0657AC [0,1,0,1,0,0|1,0,1]=4 291 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 Z2033 [0,1,0,1,0,0|0,0,2]=4 292 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 Z2034 [0,1,0,1,0,0|0,0,2]=4 293 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 1092AL [0,1,0,1,0,0|1,0,0]=3 294 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 Z2027 [0,1,0,1,0,0|0,0,2]=4 295 B10R1.150 COC(=O)CC1CC(=O)C1 Z3903 [0,1,0,1,0,0|0,0,1]=3 296 B10R1.153 COC(=O)CCNC1CC1 6994AJ [0,1,0,1,0,0|0,0,0]=2 297 B10R1.197 CCN1CCNC(=O)CC1 4575AB [0,1,0,1,0,0|2,0,0]=4 298 B10R1.11 CCNC(=O)C1CCCN1 6332AE [0,1,0,1,0,0|2,0,0]=4 299 B10R1.11 CCOC(=O)C1CCCO1 M425 [0,1,0,1,0,0|1,0,0]=3 300 B10R1.11 CCOC(=O)C1CCOC1 6739AA [0,1,0,1,0,0|1,0,0]=3 301 B10R1.11 N#CCC(=O)C1CCCC1 6567AC [0,1,0,1,0,0|1,0,1]=4 302 B10R1.19 CCN1CCNCCC1=O 5544AD [0,1,0,1,0,0|2,0,0]=4 303 B10R1.19 N#CC1CCCCCC1=O 1846AJ [0,1,0,1,0,0|1,0,1]=4 304 B10R1.78 O=C1CCCCCCCC1 3914AB [0,1,0,1,0,0|1,0,0]=3 305 B10R1.135 CCOC(=O)C1CC1CO 1740AJ [0,1,0,1,0,0|1,0,0]=3 306 B10R1.137 CCOC(=O)CC1CCC1 4959AB [0,1,0,1,0,0|0,0,0]=2 307 B10R1.137 CCOC(=O)CC1COC1 3606AA [0,1,0,1,0,0|1,0,0]=3 308 B10R1.137 COCC(=O)OC1CNC1 1436AD [0,1,0,1,0,0|2,0,0]=4 309 B10R1.138 CCOC(=O)C=CC1CC1 1199AQ [0,1,0,1,0,0|0,0,2]=4 310 B10R1.15 CNC(=O)C1CCCCN1 2898AD [0,1,0,1,0,0|1,0,0]=3 311 B10R1.15 CNC(=O)C1CCCNC1 4418AJ [0,1,0,1,0,0|1,0,0]=3 312 B10R1.15 CNC(=O)C1CCOCC1 4663AJ [0,1,0,1,0,0|1,0,0]=3 313 B10R1.15 CNC(=O)C1CNCCO1 6268AA [0,1,0,1,0,0|2,0,0]=4 314 B10R1.15 COC(=O)C1=CCCCO1 5478AA [0,1,0,1,0,0|0,0,2]=4 315 B10R1.15 COC(=O)C1CC=CCC1 9933AB [0,1,0,1,0,0|0,0,1]=3 316 B10R1.15 COC(=O)C1CNCCN1 W5066 [0,1,0,1,0,0|1,0,0]=3 317 B10R1.15 COC(=O)C1CNCCO1 Y1211 [0,1,0,1,0,0|1,0,0]=3 318 B10R1.15 COC(=O)[C@@H]1COCCN1 0961AA [0,1,0,1,0,0|1,0,0]=3 319 B10R1.15 COC(=O)[C@H]1CNCCN1 W7554 [0,1,0,1,0,0|1,0,0]=3 320 B10R1.15 COC(=O)[C@H]1COCCN1 3118AA [0,1,0,1,0,0|1,0,0]=3 321 B10R1.15 NNC(=O)C1CCNCC1 3179AE [0,1,0,1,0,0|2,0,0]=4 322 B10R1.169 COC(=O)C1CC(CN)C1 6991AJ [0,1,0,1,0,0|1,0,0]=3 323 B10R1.411 COC(=O)C1(C)CCCN1 4594AE [0,1,0,1,0,0|1,0,0]=3 324 B10R1.411 COC(=O)C1(C)CCCO1 6969AJ [0,1,0,1,0,0|1,0,0]=3 325 B10R1.151 COC(=O)CCN1CCC1 4362AE [0,1,0,1,0,0|0,0,0]=2 326 B10R1.27 CCC(=O)OC1CCNC1 1489AD [0,1,0,1,0,0|2,0,0]=4 327 B10R1.27 COC(=O)C[C@@H]1CCCN1 W6819 [0,1,0,1,0,0|0,0,0]=2 328 B10R1.27 COC(=O)C[C@H]1CCCN1 5980AA [0,1,0,1,0,0|0,0,0]=2 329 B10R1.27 NCC(=O)NC1CCCC1 0665AD [0,1,0,1,0,0|2,0,0]=4 330 B10R1.27 NNC(=O)CN1CCCC1 8638AE [0,1,0,1,0,0|2,0,0]=4 331 B10R1.27 O=C(CBr)NC1CCCC1 1622AF [0,1,0,1,0,0|2,0,0]=4 332 B10R1.149 COC(=O)C1CCNC1=O Z4428 [0,1,0,1,0,0|1,0,1]=4 333 B10R1.149 COC(=O)C1SCCC1=O 2452AB [0,1,0,1,0,0|1,0,1]=4 334 B10R1.149 COC(=O)[C@@H]1CCCN1C 0671AP [0,1,0,1,0,0|0,0,0]=2 335 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N 7134AJ [0,1,0,1,0,0|0,0,0]=2 336 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C 1439AA [0,1,0,1,0,0|0,0,0]=2 337 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O 1084AL [0,1,0,1,0,0|1,0,0]=3 338 B10R1.1 CCCC1CC=C(Br)CC1 Z6635 [0,1,0,1,0,0|2,0,0]=4 339 B10R1.1 O=C1CCC(CCO)CC1 3716AB [0,1,0,1,0,0|1,0,0]=3 340 B10R1.161 O=NN1CCCCCCC1 8615AL [0,1,0,1,0,0|2,0,0]=4 341 B10R1.23 CN(C)C(=O)C1CCCN1 3073AD [0,1,0,1,0,0|2,0,0]=4 342 B10R1.114 CC1(C)C(=O)CCC[C@@H]1O 4201AL [0,1,0,1,0,0|2,0,0]=4 343 B10R1.262 CCOC1CC(=O)C1(C)C 7813AD [0,1,0,1,0,0|2,0,0]=4 344 B10R2.335 O=C1CCC2(CC1)CC2 7936AA [0,0,0,2,0,0|1,0,0]=3 345 B10R2.25 O=C1C2CCC(C2)C1Cl 1094AQ [0,0,0,2,0,0|2,0,0]=4 346 B10R2.179 CC12CCCC(=O)C1O2 3046AL [0,0,0,2,0,0|2,0,0]=4 347 B10R2.2 O=C1CC2CNCC2C1 4134AJ [0,0,0,2,0,0|2,0,0]=4 348 B10R2.2 O=C1CC2CNCC2C1 4135AJ [0,0,0,2,0,0|2,0,0]=4 349 B10R2.2 O=C1C[C@@H]2C=CC[C@@H]2O1 5961AB [0,0,0,2,0,0|0,0,2]=4 350 B10R2.2 [C@@H]12CCC=C1CC(=O)O2 Y8486 [0,0,0,2,0,0|0,0,2]=4 351 B10R2.32 O=C1CCC2CNCC12 1388AC [0,0,0,2,0,0|2,0,0]=4 352 B10R2.32 O=C1CCC2CNCC12 Y5990 [0,0,0,2,0,0|2,0,0]=4 353 B10R2.32 O=C1CCN2CCCC12 6905AA [0,0,0,2,0,0|2,0,0]=4 354 B10R2.332 O=C1CC2(CN1)COC2 Z3975 [0,0,0,2,0,0|2,0,0]=4 355 B10R2.332 O=C1CC2(CNC2)CN1 3701AA [0,0,0,2,0,0|2,0,0]=4