0 B17R0.43 C#CCCCCC=CCCCCCCCC(=O)O MCULE-1049304823 [0,0,0,0,0,0|0,0,2]=2 1 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O MCULE-4134557983 [0,0,0,0,0,0|0,0,4]=4 2 B17R0.43 C(=C\CCCCCCCC(=O)O)\CCCCCC MCULE-4164601038 [0,0,0,0,0,0|0,0,0]=0 3 B17R0.43 C=C(C)CCCCCCCCCCCCCCC MCULE-5834819134 [0,0,0,0,0,0|2,0,2]=4 4 B17R0.43 C=CCCCCCCCCCCCCCC(=O)O MCULE-8140028401 [0,0,0,0,0,0|0,0,4]=4 5 B17R0.43 CCCCC=CCCCCCCCCCC(=O)O MCULE-1066074154 [0,0,0,0,0,0|0,0,4]=4 6 B17R0.43 CCCCCC/C=C/CCCCCCCC(=O)O MCULE-7392284639 [0,0,0,0,0,0|0,0,0]=0 7 B17R0.43 CCCCCCC=CCCCCCCCC(=O)Cl MCULE-6281700163 [0,0,0,0,0,0|1,0,0]=1 8 B17R0.43 CCCCCCC=CCCCCCCCC(=O)N MCULE-8315425906 [0,0,0,0,0,0|1,0,0]=1 9 B17R0.43 CCCCCCC=CCCCCCCCC(=O)O MCULE-1221038996 [0,0,0,0,0,0|0,0,0]=0 10 B17R0.43 CCCCCCC=CCCCCCCCC(=O)[O-] MCULE-3270578280 [0,0,0,0,0,0|0,0,1]=1 11 B17R0.43 CCCCCCCCC/C=C\CCCCC(=O)O MCULE-5806437824 [0,0,0,0,0,0|0,0,4]=4 12 B17R0.43 CCCCCCCCC=CCCCCCC(=O)O MCULE-9907029105 [0,0,0,0,0,0|0,0,4]=4 13 B17R0.43 CCCCCCCCCC=CCCCCC(=O)O MCULE-6678867297 [0,0,0,0,0,0|0,0,4]=4 14 B17R0.43 CCCCCCCCCCCCC/C=C/C(=O)O MCULE-9949483894 [0,0,0,0,0,0|0,0,4]=4 15 B17R0.43 CCCCCCCCCCCCC=CCC(=O)O MCULE-7063165347 [0,0,0,0,0,0|0,0,4]=4 16 B17R0.43 CCCCCCCCCCCCCC=CC(=O)O MCULE-1309002877 [0,0,0,0,0,0|0,0,4]=4 17 B17R0.43 CCCCCCCCCCCCCCCC(=O)C MCULE-2820432182 [0,0,0,0,0,0|1,0,2]=3 18 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl MCULE-2299274236 [0,0,0,0,0,0|1,0,2]=3 19 B17R0.43 CCCCCCCCCCCCCCCC(=O)N MCULE-9133427571 [0,0,0,0,0,0|1,0,2]=3 20 B17R0.43 CCCCCCCCCCCCCCCC(=O)O MCULE-1361949901 [0,0,0,0,0,0|0,0,2]=2 21 B17R0.43 CCCCCCCCCCCCCCCC(=O)S MCULE-8215136457 [0,0,0,0,0,0|0,1,2]=3 22 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-2906724981 [0,0,0,0,0,0|0,0,3]=3 23 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-3645136442 [0,0,0,0,0,0|0,0,3]=3 24 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-9097304670 [0,0,0,0,0,0|0,0,3]=3 25 B17R0.43 CCCCCCCCCCCCCCCC(C)O MCULE-4314680622 [0,0,0,0,0,0|1,0,3]=4 26 B17R0.43 CCCCCCCCCCCCCCOC(=O)C MCULE-9791397433 [0,0,0,0,0,0|2,0,2]=4 27 B17R0.43 CCCCCCCCCCCCNCCC(=O)O MCULE-6849446767 [0,0,0,0,0,0|1,0,2]=3 28 B17R0.43 CCCCCCCCCCCCSCCC(=O)N MCULE-2326780267 [0,0,0,0,0,0|2,0,2]=4 29 B17R0.43 CCCCCCCCCCCCSCCC(=O)O MCULE-1413456430 [0,0,0,0,0,0|1,0,2]=3 30 B17R0.43 CCCCCCCCSCCCCCCC(=O)O MCULE-3418202255 [0,0,0,0,0,0|1,0,2]=3 31 B17R0.43 NCCCCCCCCCCCCCCC(=O)O MCULE-8397983958 [0,0,0,0,0,0|1,0,2]=3 32 B17R0.43 O=C(O)CCCCCCCCCCCCCCBr MCULE-4704611362 [0,0,0,0,0,0|1,0,2]=3 33 B17R0.43 O=C(O)CCCCCCCCCCCCCCO MCULE-9603867941 [0,0,0,0,0,0|1,0,2]=3 34 B16R0.274 C=CCCCCCCCCCCCCC(=O)O MCULE-1403801057 [1,0,0,0,0,0|0,0,3]=4 35 B16R0.274 CCCCC=CCCCCCCCCC(=O)O MCULE-4211765208 [1,0,0,0,0,0|0,0,2]=3 36 B16R0.274 CCCCCCCCCCCCCCB(O)O MCULE-3614309342 [1,0,0,0,0,0|1,0,2]=4 37 B16R0.274 CCCCCCCCCCCCCCC(=O)C MCULE-2580004145 [1,0,0,0,0,0|1,0,1]=3 38 B16R0.274 CCCCCCCCCCCCCCC(=O)Cl MCULE-8745106680 [1,0,0,0,0,0|1,0,1]=3 39 B16R0.274 CCCCCCCCCCCCCCC(=O)N MCULE-6897989236 [1,0,0,0,0,0|1,0,1]=3 40 B16R0.274 CCCCCCCCCCCCCCC(=O)O MCULE-3630464562 [1,0,0,0,0,0|0,0,1]=2 41 B16R0.274 CCCCCCCCCCCCCCC(C)O MCULE-8477286739 [1,0,0,0,0,0|1,0,2]=4 42 B16R0.274 CCCCCCCCCCCCCCN(=O)=O MCULE-8122338188 [1,0,0,0,0,0|1,0,2]=4 43 B16R0.274 CCCCCCCCCCCCCOC(=O)C MCULE-3462383419 [1,0,0,0,0,0|2,0,1]=4 44 B16R0.274 CCCCCCCCCCCCNCC(=O)O MCULE-7069020402 [1,0,0,0,0,0|1,0,1]=3 45 B16R0.274 CCCCCCCCCCCCOCC(=O)O MCULE-5186628423 [1,0,0,0,0,0|1,0,1]=3 46 B16R0.274 CCCCCCCCCCCCSCC(=O)O MCULE-8937853494 [1,0,0,0,0,0|1,0,1]=3 47 B16R0.274 CCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2182837845 [1,0,0,0,0,0|1,0,1]=3 48 B16R0.274 CCCCCCCCCCNCCCC(=O)O MCULE-2947320698 [1,0,0,0,0,0|1,0,1]=3 49 B16R0.274 CCCCCCCCCCNCCCC(=O)O MCULE-5076653771 [1,0,0,0,0,0|1,0,1]=3 50 B16R0.274 NCCCCCCCCCCCCCC(=O)O MCULE-6805237317 [1,0,0,0,0,0|1,0,1]=3 51 B16R0.274 O=C(O)CCCCCCCCCCCCCBr MCULE-6321854023 [1,0,0,0,0,0|1,0,1]=3 52 B16R0.274 O=C(O)CCCCCCCCCCCCCO MCULE-2388869238 [1,0,0,0,0,0|1,0,1]=3 53 B16R0.274 O=C(O)CCCCCCCCCCCCCS MCULE-3340350604 [1,0,0,0,0,0|1,0,1]=3 54 B16R0.303 C=CCCCCCCCCCCCCCCC MCULE-3016072683 [1,0,0,0,0,0|1,0,2]=4 55 B16R0.303 CCCCC/C=C/CCCCCCCCC=O MCULE-7710373986 [1,0,0,0,0,0|0,0,2]=3 56 B16R0.303 CCCCCC=CCCCCCCCCC=O MCULE-6918532041 [1,0,0,0,0,0|0,0,2]=3 57 B16R0.303 CCCCCCC=CCCCCCCCC=O MCULE-4206989660 [1,0,0,0,0,0|0,0,0]=1 58 B16R0.303 CCCCCCC=CCCCCCCCCO MCULE-2420123615 [1,0,0,0,0,0|0,0,1]=2 59 B16R0.303 CCCCCCCCCCCCCCCC=O MCULE-1337115097 [1,0,0,0,0,0|0,0,2]=3 60 B16R0.303 CCCCCCCCCCCCCCCCO MCULE-9457426256 [1,0,0,0,0,0|0,0,3]=4 61 B18R0.2 CCCCC(=O)CCCCCCCCCCC(=O)O MCULE-5402764711 [0,1,0,0,0,0|0,0,3]=4 62 B18R0.2 CCCCC(O)CCCCCCCCCCC(=O)O MCULE-4787616333 [0,1,0,0,0,0|0,0,2]=3 63 B18R0.94 CCCCCCCCC(=O)CCCCCCC(=O)O MCULE-4094625577 [0,1,0,0,0,0|0,0,3]=4 64 B18R0.94 CCCCCCCCC(O)CCCCCCC(=O)O MCULE-2101826940 [0,1,0,0,0,0|0,0,2]=3 65 B18R0.114 CCC(=O)CCCCCCCCCCCCC(=O)O MCULE-9117657777 [0,1,0,0,0,0|0,0,3]=4 66 B18R0.114 CCC(C)CCCCCCCCCCCCC(=O)O MCULE-8200495932 [0,1,0,0,0,0|0,0,2]=3 67 B18R0.114 CCC(O)CCCCCCCCCCCCC(=O)O MCULE-4792995027 [0,1,0,0,0,0|0,0,2]=3 68 B18R0.127 CCCCCCC(=O)CCCCCCCCC(=O)O MCULE-2041137649 [0,1,0,0,0,0|0,0,1]=2 69 B18R0.127 CCCCCCC(O)CCCCCCCCC(=O)O MCULE-1427500455 [0,1,0,0,0,0|0,0,2]=3 70 B18R0.171 CCCCCC/C=C/CCCCCCCC(=O)OC MCULE-3684696083 [0,1,0,0,0,0|0,0,0]=1 71 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)OC MCULE-8655264522 [0,1,0,0,0,0|0,0,0]=1 72 B18R0.171 CCCCCCC=CCCCCCCCC(=O)OC MCULE-5533097898 [0,1,0,0,0,0|0,0,0]=1 73 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC MCULE-9243465329 [0,1,0,0,0,0|1,0,2]=4 74 B18R0.171 CCCCCCCCCCCCCCCC(=O)NN MCULE-7345615974 [0,1,0,0,0,0|1,0,2]=4 75 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC MCULE-2282587787 [0,1,0,0,0,0|0,0,2]=3 76 B18R0.171 COC(=O)CCCCCCCCCCCCCCBr MCULE-4104671169 [0,1,0,0,0,0|1,0,2]=4 77 B18R0.171 COC(=O)CCCCCCCCCCCCCCO MCULE-7795037428 [0,1,0,0,0,0|1,0,2]=4 78 B18R0.174 CCCCCCCCCCCCCCC(Br)C(=O)O MCULE-7613431163 [0,1,0,0,0,0|0,0,2]=3 79 B18R0.174 CCCCCCCCCCCCCCC(C)C(=O)O MCULE-9301579624 [0,1,0,0,0,0|0,0,2]=3 80 B18R0.174 CCCCCCCCCCCCCCC(Cl)C(=O)O MCULE-6086981032 [0,1,0,0,0,0|0,0,2]=3 81 B18R0.174 CCCCCCCCCCCCCCC(F)C(=O)O MCULE-4249541245 [0,1,0,0,0,0|0,0,2]=3 82 B18R0.174 CCCCCCCCCCCCCCC(N)C(=O)O MCULE-9580133307 [0,1,0,0,0,0|0,0,2]=3 83 B18R0.174 CCCCCCCCCCCCCCC(O)C(=O)O MCULE-6572346778 [0,1,0,0,0,0|0,0,2]=3 84 B18R0.176 C=CCCCCCCCCCCCCCCC(=O)O MCULE-9537148876 [0,1,0,0,0,0|0,0,3]=4 85 B18R0.176 CCCCCC/C=C\CCCCCCCCC(=O)O MCULE-7425245696 [0,1,0,0,0,0|0,0,0]=1 86 B18R0.176 CCCCCCC=CCCCCCCCCC(=O)O MCULE-8054022250 [0,1,0,0,0,0|0,0,0]=1 87 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl MCULE-4774205698 [0,1,0,0,0,0|1,0,2]=4 88 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N MCULE-8756975449 [0,1,0,0,0,0|1,0,2]=4 89 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O MCULE-9357391090 [0,1,0,0,0,0|0,0,2]=3 90 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] MCULE-4806292195 [0,1,0,0,0,0|0,0,3]=4 91 B18R0.176 CCCCCCCCCCCCCCCOC(=O)C MCULE-8455635595 [0,1,0,0,0,0|1,0,2]=4 92 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O MCULE-6925387619 [0,1,0,0,0,0|0,0,2]=3 93 B18R0.176 CCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2691784276 [0,1,0,0,0,0|0,0,2]=3 94 B18R0.176 CCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2883416094 [0,1,0,0,0,0|0,0,2]=3 95 B18R0.176 CCCCCCCCCCCCSCCCC(=O)N MCULE-1673663174 [0,1,0,0,0,0|1,0,2]=4 96 B18R0.176 NCCCCCCCCCCCCCCCC(=O)O MCULE-5669844918 [0,1,0,0,0,0|0,0,2]=3 97 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr MCULE-3555817163 [0,1,0,0,0,0|0,0,2]=3 98 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO MCULE-5601308035 [0,1,0,0,0,0|0,0,2]=3 99 B18R0.176 O=C(O)CCCCCCCCCCCCCCCS MCULE-2534249442 [0,1,0,0,0,0|0,0,2]=3 100 B18R0.182 CCCCCCCCCCCCCCCS(=O)(=O)O MCULE-4345458910 [0,1,0,0,0,0|1,0,2]=4 101 B18R0.220 CCCCCCCCCCCCCC(C)CC(=O)O MCULE-9201250713 [0,1,0,0,0,0|0,0,2]=3 102 B18R0.220 CCCCCCCCCCCCCC(O)CC(=O)O MCULE-1445414038 [0,1,0,0,0,0|0,0,2]=3 103 B18R0.233 CCCCCCCCCCCC(=O)CCCC(=O)O MCULE-2196708286 [0,1,0,0,0,0|0,0,3]=4 104 B18R0.233 CCCCCCCCCCCC(O)CCCC(=O)O MCULE-4006524511 [0,1,0,0,0,0|0,0,2]=3 105 B18R0.974 CC(=O)CCCCCCCCCCCCCC(=O)O MCULE-8858221579 [0,1,0,0,0,0|0,0,3]=4 106 B18R0.974 CC(C)CCCCCCCCCCCCCC(=O)O MCULE-3535493212 [0,1,0,0,0,0|0,0,2]=3 107 B18R0.974 CC(O)CCCCCCCCCCCCCC(=O)O MCULE-7879329822 [0,1,0,0,0,0|0,0,2]=3 108 B18R0.3137 CCCCCC(=O)CCCCCCCCCC(=O)O MCULE-9840407759 [0,1,0,0,0,0|0,0,3]=4 109 B18R0.3137 CCCCCC(O)CCCCCCCCCC(=O)O MCULE-6108684848 [0,1,0,0,0,0|0,0,2]=3 110 B18R0.7250 CCCCCCCC(O)CCCCCCCC(=O)O MCULE-8074086209 [0,1,0,0,0,0|0,0,2]=3 111 B18R0.7250 NCCCCCCC(=O)NCCCCCCC(=O)O MCULE-1141722295 [0,1,0,0,0,0|2,0,1]=4 112 B18R0.11628 CCCCCCCCCC(=O)CCCCCC(=O)O MCULE-5972830914 [0,1,0,0,0,0|0,0,3]=4 113 B18R0.11628 CCCCCCCCCC(O)CCCCCC(=O)O MCULE-3341656452 [0,1,0,0,0,0|0,0,2]=3 114 B18R0.17430 CCCCCCCCCCC(=O)CCCCC(=O)O MCULE-9081502044 [0,1,0,0,0,0|0,0,3]=4 115 B18R0.17430 CCCCCCCCCCC(O)CCCCC(=O)O MCULE-4244489011 [0,1,0,0,0,0|0,0,2]=3 116 B18R0.19183 CCCCCCCCCCCCC(=O)CCC(=O)O MCULE-1164053278 [0,1,0,0,0,0|0,0,3]=4 117 B18R0.19183 CCCCCCCCCCCCC(O)CCC(=O)O MCULE-1162659693 [0,1,0,0,0,0|0,0,2]=3 118 B18R0.19183 CCCCCCCCCCCCS(=O)CCC(=O)O MCULE-9382415406 [0,1,0,0,0,0|1,0,2]=4 119 B18R0.19354 CCCC(=O)CCCCCCCCCCCC(=O)O MCULE-9036223737 [0,1,0,0,0,0|0,0,3]=4 120 B18R0.19354 CCCC(O)CCCCCCCCCCCC(=O)O MCULE-1240513762 [0,1,0,0,0,0|0,0,2]=3 121 B18R1.1108 CCCCCCCCCCCC1CCCC(=O)O1 MCULE-4181955666 [0,0,0,1,0,0|0,0,2]=3 122 B18R1.1108 CCCCCCCCCCC[C@@H]1CCCC(=O)O1 MCULE-8640131781 [0,0,0,1,0,0|0,0,2]=3 123 B18R1.1108 CCCCCCCCCCC[C@H]1CCCC(=O)O1 MCULE-6071532102 [0,0,0,1,0,0|0,0,2]=3 124 B18R1.1260 CCCCCCCCCCCCC1CCC(=O)O1 MCULE-3673972153 [0,0,0,1,0,0|0,0,2]=3 125 B18R1.13791 O=C1CCCCCCCC=CCCCCCCO1 MCULE-4229154614 [0,0,0,1,0,0|0,0,0]=1 126 B18R1.13791 O=C1CCCCCCCCCCCCCCCO1 MCULE-4312908702 [0,0,0,1,0,0|0,0,2]=3 127 B18R1.13791 O=C1CCCCCCCCCCOCCCCO1 MCULE-7856753337 [0,0,0,1,0,0|1,0,2]=4 128 B18R1.13791 O=C1CCCCCCCCCOCCCCCO1 MCULE-8174650004 [0,0,0,1,0,0|1,0,2]=4 129 B18R1.20697 O=C(O)CCCCCCCCCCC1CCCO1 MCULE-1461492082 [0,0,0,1,0,0|1,0,2]=4 130 B15R0.70 C=CCCCCCCCCCCCCCC MCULE-4969847612 [2,0,0,0,0,0|1,0,1]=4 131 B15R0.70 CCCCCCCCCCCCCCC=O MCULE-3290991576 [2,0,0,0,0,0|0,0,1]=3 132 B15R0.70 CCCCCCCCCCCCCCCO MCULE-4053675052 [2,0,0,0,0,0|0,0,2]=4 133 B15R0.164 C#CCCCCCCCCCCCC(=O)O MCULE-5832522123 [2,0,0,0,0,0|0,0,2]=4 134 B15R0.164 C=C(C)CCCCCCCCCCCCC MCULE-7613302437 [2,0,0,0,0,0|2,0,0]=4 135 B15R0.164 CCCC/C=C/CCCCCCCC(=O)O MCULE-6705749045 [2,0,0,0,0,0|0,0,0]=2 136 B15R0.164 CCCC/C=C/CCCCCCOC(=O)C MCULE-2152851271 [2,0,0,0,0,0|2,0,0]=4 137 B15R0.164 CCCC/C=C\CCCCCCCC(=O)O MCULE-5504515924 [2,0,0,0,0,0|0,0,0]=2 138 B15R0.164 CCCC/C=C\CCCCCCOC(=O)C MCULE-3266505572 [2,0,0,0,0,0|2,0,0]=4 139 B15R0.164 CCCCC=CCCCCCCCC(=O)O MCULE-5940555705 [2,0,0,0,0,0|0,0,0]=2 140 B15R0.164 CCCCC=CCCCCCCOC(=O)C MCULE-4045769000 [2,0,0,0,0,0|2,0,0]=4 141 B15R0.164 CCCCCCCCC#CCCCC(=O)O MCULE-7080925639 [2,0,0,0,0,0|0,0,2]=4 142 B15R0.164 CCCCCCCCCCCCCC(=O)C MCULE-8350749092 [2,0,0,0,0,0|1,0,0]=3 143 B15R0.164 CCCCCCCCCCCCCC(=O)Cl MCULE-2497488642 [2,0,0,0,0,0|1,0,0]=3 144 B15R0.164 CCCCCCCCCCCCCC(=O)N MCULE-5753717982 [2,0,0,0,0,0|1,0,0]=3 145 B15R0.164 CCCCCCCCCCCCCC(=O)O MCULE-9671122893 [2,0,0,0,0,0|0,0,0]=2 146 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] MCULE-6783279487 [2,0,0,0,0,0|0,0,1]=3 147 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] MCULE-7103790332 [2,0,0,0,0,0|0,0,1]=3 148 B15R0.164 CCCCCCCCCCCCNC(=O)C MCULE-9415436236 [2,0,0,0,0,0|2,0,0]=4 149 B15R0.164 CCCCCCCCCCCCNC(=O)N MCULE-2832774647 [2,0,0,0,0,0|2,0,0]=4 150 B15R0.164 CCCCCCCCCCCCOC(=O)C MCULE-2488215593 [2,0,0,0,0,0|2,0,0]=4 151 B15R0.164 CCCCCCCCCCCCOC(=O)Cl MCULE-1341492119 [2,0,0,0,0,0|2,0,0]=4 152 B15R0.164 CCCCCCCCCCCOCC(=O)O MCULE-2338877776 [2,0,0,0,0,0|1,0,0]=3 153 B15R0.164 CCCCCCCCCCCSCC(=O)O MCULE-3362261921 [2,0,0,0,0,0|1,0,0]=3 154 B15R0.164 CCCCCCCCCCNCCC(=O)O MCULE-4890771155 [2,0,0,0,0,0|1,0,0]=3 155 B15R0.164 CCCCCCCCCCNCCC(=O)O MCULE-9733002368 [2,0,0,0,0,0|1,0,0]=3 156 B15R0.164 CCCCCCCCCCOCCC(=O)O MCULE-9683464566 [2,0,0,0,0,0|1,0,0]=3 157 B15R0.164 CCCCCCCCCCSCCC(=O)O MCULE-4853340553 [2,0,0,0,0,0|1,0,0]=3 158 B15R0.164 CCCCCCCCSCCCCC(=O)O MCULE-1196712745 [2,0,0,0,0,0|1,0,0]=3 159 B15R0.164 CCCCCCCSCCCCCC(=O)O MCULE-9410938289 [2,0,0,0,0,0|1,0,0]=3 160 B15R0.164 CCCOCCCCCCCCCC(=O)O MCULE-6540084862 [2,0,0,0,0,0|1,0,0]=3 161 B15R0.164 CNCCCCCCCCCCCC(=O)O MCULE-3869239649 [2,0,0,0,0,0|1,0,0]=3 162 B15R0.164 O=C(O)CCCCCCCCCCCCBr MCULE-2321032418 [2,0,0,0,0,0|1,0,0]=3 163 B15R0.164 O=C(O)CCCCCCCCCCCCO MCULE-3086618486 [2,0,0,0,0,0|1,0,0]=3 164 B17R0.78 CCCCCCCC(=O)CCCCCCC(=O)O MCULE-7169706634 [1,1,0,0,0,0|0,0,1]=3 165 B17R0.78 CCCCCCCC(=O)NCCCCCC(=O)O MCULE-5659315671 [1,1,0,0,0,0|1,0,1]=4 166 B17R0.78 CCCCCCCC(O)CCCCCCC(=O)O MCULE-7939156653 [1,1,0,0,0,0|0,0,1]=3 167 B17R0.139 CCCCCCC(=O)CCCCCCCC(=O)O MCULE-6444361858 [1,1,0,0,0,0|0,0,0]=2 168 B17R0.139 CCCCCCC(O)CCCCCCCC(=O)O MCULE-7282521786 [1,1,0,0,0,0|0,0,1]=3 169 B17R0.195 CCCCC=CCCCCCCCCC(=O)OC MCULE-1513743756 [1,1,0,0,0,0|0,0,2]=4 170 B17R0.195 CCCCCCCCCCCCCCC(=NO)C MCULE-2159182766 [1,1,0,0,0,0|1,0,1]=4 171 B17R0.195 CCCCCCCCCCCCCCC(=O)CBr MCULE-8800475521 [1,1,0,0,0,0|1,0,1]=4 172 B17R0.195 CCCCCCCCCCCCCCC(=O)OC MCULE-6875676125 [1,1,0,0,0,0|0,0,1]=3 173 B17R0.197 CCCCCCCCCCCCCCP(=O)(O)O MCULE-4571824808 [1,1,0,0,0,0|1,0,1]=4 174 B17R0.256 CCCC(=O)CCCCCCCCCCC(=O)O MCULE-2951365808 [1,1,0,0,0,0|0,0,2]=4 175 B17R0.256 CCCC(O)CCCCCCCCCCC(=O)O MCULE-9353561307 [1,1,0,0,0,0|0,0,1]=3 176 B17R0.1713 CC(=O)CCCCCCCCCCCCC(C)O MCULE-7245064176 [1,1,0,0,0,0|1,0,1]=4 177 B17R0.1713 CC(C)CCCCCCCCCCCCC(=O)O MCULE-2401625440 [1,1,0,0,0,0|0,0,1]=3 178 B17R0.8801 CCCCCCCCCC(=O)CCCCC(=O)O MCULE-8828861735 [1,1,0,0,0,0|0,0,2]=4 179 B17R0.8801 CCCCCCCCCC(O)CCCCC(=O)O MCULE-5501959746 [1,1,0,0,0,0|0,0,1]=3 180 B17R0.14245 CCCCCCCCCCCCCC(C)C(=O)O MCULE-3254150931 [1,1,0,0,0,0|0,0,1]=3 181 B17R0.117 CCCCCCCCCCCCCCCCC=O MCULE-7209784895 [1,1,0,0,0,0|0,0,2]=4 182 B19R0.26214 CCCCCCCCCC(=O)CCCCCCC(=O)O MCULE-8979687298 [0,2,0,0,0,0|0,0,2]=4 183 B19R0.26214 CCCCCCCCCC(O)CCCCCCC(=O)O MCULE-2739435890 [0,2,0,0,0,0|0,0,2]=4 184 B19R0.7451 CC(O)C(O)CCCCCCCCCCCCC(=O)O MCULE-1399676744 [0,2,0,0,0,0|0,0,2]=4 185 B19R0.21221 CCC(C)CCCCCCCCCCCCC(=O)OC MCULE-6647728292 [0,2,0,0,0,0|0,0,2]=4 186 B19R0.59 CCCCCCCC(=O)CCCCCCCCC(=O)O MCULE-4196802493 [0,2,0,0,0,0|0,0,1]=3 187 B19R0.14260 CCCCCCC(C)CCCCCCCCC(=O)OC MCULE-4107751625 [0,2,0,0,0,0|0,0,2]=4 188 B19R0.148 CCCCCCC=CCCCCCCCCC(=O)OC MCULE-2350131012 [0,2,0,0,0,0|0,0,0]=2 189 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC MCULE-4465312774 [0,2,0,0,0,0|0,0,2]=4 190 B19R0.148 COC(=O)CCCCCCCCCCCCCCCBr MCULE-1850296129 [0,2,0,0,0,0|0,0,2]=4 191 B19R0.148 COC(=O)CCCCCCCCCCCCCCCO MCULE-5067829702 [0,2,0,0,0,0|0,0,2]=4 192 B19R0.153 CCCCCCCCCCCCSCC[C@H](N)C(=O)O MCULE-8575399975 [0,2,0,0,0,0|0,0,2]=4 193 B19R0.153 CCCCCCCCCCCCSCC[C@H](N)C(=O)O MCULE-8723634142 [0,2,0,0,0,0|0,0,2]=4 194 B19R0.153 [C@@H](N)(COCCCCCCCCCCCCC)C(=O)O MCULE-4708837165 [0,2,0,0,0,0|0,0,2]=4 195 B19R0.153 [C@@H]([NH3+])(COCCCCCCCCCCCCC)C(=O)O MCULE-7338430342 [0,2,0,0,0,0|0,0,2]=4 196 B19R0.182 C=COC(=O)CCCCCCCCCCCCCCC MCULE-2966237485 [0,2,0,0,0,0|0,0,2]=4 197 B19R0.182 CCCCCC/C=C\CCCCCCCC(=O)OCC MCULE-3295314962 [0,2,0,0,0,0|0,0,0]=2 198 B19R0.182 CCCCCCC=CCCCCCCCC(=O)OCC MCULE-7712829052 [0,2,0,0,0,0|0,0,0]=2 199 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCC MCULE-8045613210 [0,2,0,0,0,0|0,0,2]=4 200 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCCl MCULE-1596942672 [0,2,0,0,0,0|0,0,2]=4 201 B19R0.3096 CCCCCCCCCCCCCC(O)CC(=O)OC MCULE-5393825907 [0,2,0,0,0,0|0,0,2]=4 202 B19R0.21384 CCC(C)CCCCCCCCCCCCCC(=O)O MCULE-4781818208 [0,2,0,0,0,0|0,0,2]=4 203 B19R0.21384 COC(=O)CCCCCCCCCCCCCC(C)C MCULE-8021878429 [0,2,0,0,0,0|0,0,2]=4 204 B19R0.25650 CCCCCCCCCCCCCCC(F)C(=O)OC MCULE-7890467931 [0,2,0,0,0,0|0,0,2]=4 205 B19R0.25650 CCCCCCCCCCCCCCC(O)C(=O)OC MCULE-1124741022 [0,2,0,0,0,0|0,0,2]=4 206 B19R0.35 CCCCCCCCCCCCCCC(O)CC(=O)O MCULE-6684061995 [0,2,0,0,0,0|0,0,2]=4 207 B19R0.149 C#CCCCC=CCC=CCCCCCCCC(=O)O MCULE-8464652713 [0,2,0,0,0,0|0,0,2]=4 208 B19R0.149 C#CCCCCCCC=CCCCCCCCC(=O)O MCULE-1916928955 [0,2,0,0,0,0|0,0,0]=2 209 B19R0.149 C#CCCCCCCCCCCCCCCCC(=O)O MCULE-7083652608 [0,2,0,0,0,0|0,0,2]=4 210 B19R0.149 C(=CCC=CCCCCCCCC(=O)[O-])CCCCC MCULE-1720910553 [0,2,0,0,0,0|0,0,1]=3 211 B19R0.149 C(=CCCC=CCCCCCCOC(=O)C)CCCC MCULE-7027874495 [0,2,0,0,0,0|2,0,0]=4 212 B19R0.149 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O MCULE-6594867113 [0,2,0,0,0,0|0,0,2]=4 213 B19R0.149 CCC=CCC=CCC=CCCCCCCCC(=O)O MCULE-8042162865 [0,2,0,0,0,0|0,0,2]=4 214 B19R0.149 CCCC/C=C\CCCCCCCCCCCC(=O)O MCULE-1460805964 [0,2,0,0,0,0|0,0,2]=4 215 B19R0.149 CCCCC/C=C/C/C=C/CCCCCCCC(=O)O MCULE-9671518710 [0,2,0,0,0,0|0,0,0]=2 216 B19R0.149 CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O MCULE-6825958553 [0,2,0,0,0,0|0,0,2]=4 217 B19R0.149 CCCCC/C=C\C/C=C\CCCCCCCC(=O)Cl MCULE-6827945261 [0,2,0,0,0,0|1,0,0]=3 218 B19R0.149 CCCCC/C=C\C/C=C\CCCCCCCC(=O)N MCULE-7860164761 [0,2,0,0,0,0|1,0,0]=3 219 B19R0.149 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O MCULE-1893075589 [0,2,0,0,0,0|0,0,0]=2 220 B19R0.149 CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-] MCULE-5401047890 [0,2,0,0,0,0|0,0,1]=3 221 B19R0.149 CCCCC/C=C\C=C\C=C\CCCCCCC(=O)O MCULE-5088543212 [0,2,0,0,0,0|0,0,2]=4 222 B19R0.149 CCCCC/C=C\C=C\CCCCCCCCC(=O)O MCULE-3950099456 [0,2,0,0,0,0|0,0,1]=3 223 B19R0.149 CCCCC=CC=CC=CCCCCCCCC(=O)O MCULE-1298774481 [0,2,0,0,0,0|0,0,2]=4 224 B19R0.149 CCCCC=CCCCCCCCCCCCC(=O)O MCULE-2741584353 [0,2,0,0,0,0|0,0,2]=4 225 B19R0.149 CCCCCC#CCC#CCCCCCCCC(=O)O MCULE-3102005270 [0,2,0,0,0,0|0,0,2]=4 226 B19R0.149 CCCCCC/C=C/C=C\CCCCCCCC(=O)O MCULE-7560777471 [0,2,0,0,0,0|0,0,0]=2 227 B19R0.149 CCCCCC/C=C/C=C\CCCCCCCC(=O)[O-] MCULE-3471454739 [0,2,0,0,0,0|0,0,1]=3 228 B19R0.149 CCCCCC/C=C/CCCCCCCCCC(=O)O MCULE-6829224594 [0,2,0,0,0,0|0,0,0]=2 229 B19R0.149 CCCCCC/C=C\CCCCCCCCCC(=O)O MCULE-4733251398 [0,2,0,0,0,0|0,0,0]=2 230 B19R0.149 CCCCCC=CC=CC=CCCCCCCC(=O)O MCULE-8937465994 [0,2,0,0,0,0|0,0,2]=4 231 B19R0.149 CCCCCC=CC=CCCCCCCCCC(=O)O MCULE-9350642069 [0,2,0,0,0,0|0,0,1]=3 232 B19R0.149 CCCCCC=CCC=CCC=CCCCCC(=O)O MCULE-8329957739 [0,2,0,0,0,0|0,0,2]=4 233 B19R0.149 CCCCCC=CCC=CCCC=CCCCC(=O)O MCULE-4170241546 [0,2,0,0,0,0|0,0,2]=4 234 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)Cl MCULE-8339630929 [0,2,0,0,0,0|1,0,0]=3 235 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)N MCULE-1749485522 [0,2,0,0,0,0|1,0,0]=3 236 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O MCULE-4653646367 [0,2,0,0,0,0|0,0,0]=2 237 B19R0.149 CCCCCCC=CC#CCCCCCCCC(=O)O MCULE-2923525160 [0,2,0,0,0,0|0,0,0]=2 238 B19R0.149 CCCCCCC=CC=CCCCCCCCC(=O)O MCULE-7336256238 [0,2,0,0,0,0|0,0,0]=2 239 B19R0.149 CCCCCCC=CC=CCCCCCCCC(=O)[O-] MCULE-1021972744 [0,2,0,0,0,0|0,0,1]=3 240 B19R0.149 CCCCCCC=CCCCCCCCCCC(=O)Cl MCULE-2900877236 [0,2,0,0,0,0|1,0,0]=3 241 B19R0.149 CCCCCCC=CCCCCCCCCCC(=O)O MCULE-1673564563 [0,2,0,0,0,0|0,0,0]=2 242 B19R0.149 CCCCCCCC/C=C/CCCCCCCC(=O)N MCULE-5519396278 [0,2,0,0,0,0|1,0,0]=3 243 B19R0.149 CCCCCCCC/C=C/CCCCCCCC(=O)O MCULE-3046418352 [0,2,0,0,0,0|0,0,0]=2 244 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)Cl MCULE-5061148760 [0,2,0,0,0,0|1,0,0]=3 245 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)N MCULE-1236789578 [0,2,0,0,0,0|1,0,0]=3 246 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)O MCULE-6044533117 [0,2,0,0,0,0|0,0,0]=2 247 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)[O-] MCULE-1498747483 [0,2,0,0,0,0|0,0,1]=3 248 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)[O-] MCULE-4937469311 [0,2,0,0,0,0|0,0,1]=3 249 B19R0.149 CCCCCCCC=CCCCCCCCCC(=O)O MCULE-9461095927 [0,2,0,0,0,0|0,0,0]=2 250 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O MCULE-1324819009 [0,2,0,0,0,0|0,0,2]=4 251 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)Cl MCULE-5110239318 [0,2,0,0,0,0|1,0,0]=3 252 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)N MCULE-2101563329 [0,2,0,0,0,0|1,0,0]=3 253 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O MCULE-9547538729 [0,2,0,0,0,0|0,0,0]=2 254 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] MCULE-2893862044 [0,2,0,0,0,0|0,0,1]=3 255 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] MCULE-4188975486 [0,2,0,0,0,0|0,0,1]=3 256 B19R0.149 CCCCCCCCCC=CCCCCCCC(=O)O MCULE-8183826174 [0,2,0,0,0,0|0,0,2]=4 257 B19R0.149 CCCCCCCCCCC/C=C\CCCCC(=O)O MCULE-7468359720 [0,2,0,0,0,0|0,0,2]=4 258 B19R0.149 CCCCCCCCCCCC=CCCCCC(=O)O MCULE-8691030137 [0,2,0,0,0,0|0,0,2]=4 259 B19R0.149 CCCCCCCCCCCCCCCC=CC(=O)O MCULE-1870065641 [0,2,0,0,0,0|0,0,2]=4 260 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O MCULE-5127577640 [0,2,0,0,0,0|0,0,2]=4 261 B19R0.149 CCCCCCCCCCCCSCCCCC(=O)O MCULE-8180884322 [0,2,0,0,0,0|0,0,2]=4 262 B19R0.149 CCCCCCCCSCCCCCCCCC(=O)O MCULE-1789714511 [0,2,0,0,0,0|0,0,2]=4 263 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCBr MCULE-8185924357 [0,2,0,0,0,0|0,0,2]=4 264 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCO MCULE-6787345030 [0,2,0,0,0,0|0,0,2]=4 265 B19R0.443 CC(C)CCCCCCCCCCCCCCC(=O)O MCULE-4598065479 [0,2,0,0,0,0|0,0,2]=4 266 B19R0.26289 CCCCCCC(=O)CCCCCCCCCC(=O)O MCULE-8472999265 [0,2,0,0,0,0|0,0,1]=3 267 B19R0.26289 CCCCCCC(O)CCCCCCCCCC(=O)O MCULE-3978963802 [0,2,0,0,0,0|0,0,2]=4 268 B17R1.11267 CC1CCCCCCCCCCCCC(=O)C1 MCULE-6947527863 [1,0,0,1,0,0|1,0,1]=4 269 B17R1.11267 C[C@@H]1CCCCCCCCCCCCC(=O)C1 MCULE-5431997913 [1,0,0,1,0,0|1,0,1]=4 270 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 MCULE-2237516421 [1,0,0,1,0,0|0,0,1]=3 271 B17R1.16233 O=C(O)CCC1CCCCCCCCCCC1 MCULE-2797848894 [1,0,0,1,0,0|0,0,1]=3 272 B17R1.5249 CCCCCCCCCCCCC1CCC1=O MCULE-7126495482 [1,0,0,1,0,0|0,0,2]=4 273 B19R1.46541 CCCCCCC1CC1CCCCCCCC(=O)O MCULE-2189450865 [0,1,0,1,0,0|0,0,2]=4 274 B19R1.248146 O=C1CCCCCCCC(=O)OCCCCCCO1 MCULE-1334027164 [0,1,0,1,0,0|1,0,0]=3 275 B19R1.248146 O=C1CCCCCCCCC(=O)OCCCCCO1 MCULE-2321045871 [0,1,0,1,0,0|1,0,1]=4 276 B19R1.274 [C@@H]1(CCC(=O)O1)CCCCCCCCCCCCC MCULE-7211376504 [0,1,0,1,0,0|0,0,2]=4 277 B19R1.20739 O=C1CCCCCCCCCCCCCCCCO1 MCULE-3888851261 [0,1,0,1,0,0|0,0,2]=4 278 B19R1.53774 CCCCCC1NC(=O)NC1CCCCCC(=O)O MCULE-7548296621 [0,1,0,1,0,0|2,0,0]=4