0 B20R0.9755 CCCCCCCCCCC(CBr)CCCCCCCC MCULE-2927745554 [0,0,0,0,0,0|1,0,0]=1 1 B20R0.9755 CCCCCCCCCCC(CI)CCCCCCCC MCULE-4632657267 [0,0,0,0,0,0|1,0,0]=1 2 B20R0.9755 CCCCCCCCCCC(CN)CCCCCCCC MCULE-7455441630 [0,0,0,0,0,0|1,0,0]=1 3 B20R0.9755 CCCCCCCCCCC(CO)CCCCCCCC MCULE-9887168174 [0,0,0,0,0,0|0,0,0]=0 4 B19R0.23229 CCCCCCCCCCC(=O)CCCCCCCC MCULE-7623628750 [1,0,0,0,0,0|0,0,2]=3 5 B19R0.23229 CCCCCCCCCCC(O)CCCCCCCC MCULE-8412489803 [1,0,0,0,0,0|0,0,0]=1 6 B21R0.150607 CCCCCCCNC(=O)CC(CO)NCCCCCCC MCULE-3366296164 [0,1,0,0,0,0|2,0,1]=4 7 B21R0.465149 CCCCCCCCCCC(CCCCCCCC)C(=O)O MCULE-3408455181 [0,1,0,0,0,0|0,0,1]=2 8 B18R0.17064 CCCCCCCCCC(CBr)CCCCCCC MCULE-1805851604 [2,0,0,0,0,0|1,0,0]=3 9 B18R0.11013 CCCCCCCCC(CN)CCCCCCCC MCULE-8776467217 [2,0,0,0,0,0|1,0,0]=3 10 B18R0.11013 CCCCCCCCC(CO)CCCCCCCC MCULE-8681739737 [2,0,0,0,0,0|0,0,0]=2 11 B18R0.11621 CCCCCCCCCC(O)CCCCCCCC MCULE-3839358113 [2,0,0,0,0,0|0,0,0]=2 12 B18R0.221 C=CCCCCCCCCCCCCCCCCC MCULE-9065008280 [2,0,0,0,0,0|0,0,2]=4 13 B18R0.221 CCCCCCCCCCCCCCCCCC#N MCULE-4866596225 [2,0,0,0,0,0|1,0,1]=4 14 B18R0.221 CCCCCCCCCCCCCCCCCC=O MCULE-6723633168 [2,0,0,0,0,0|1,0,1]=4 15 B18R0.221 CCCCCCCCCCCCCCCCCCBr MCULE-1698743735 [2,0,0,0,0,0|1,0,0]=3 16 B18R0.221 CCCCCCCCCCCCCCCCCCC MCULE-7331201096 [2,0,0,0,0,0|0,0,0]=2 17 B18R0.221 CCCCCCCCCCCCCCCCCCCl MCULE-7660459113 [2,0,0,0,0,0|1,0,0]=3 18 B18R0.221 CCCCCCCCCCCCCCCCCCI MCULE-7219587354 [2,0,0,0,0,0|1,0,0]=3 19 B18R0.221 CCCCCCCCCCCCCCCCCCN MCULE-1071635443 [2,0,0,0,0,0|1,0,0]=3 20 B18R0.221 CCCCCCCCCCCCCCCCCCN MCULE-4763148758 [2,0,0,0,0,0|1,0,0]=3 21 B18R0.221 CCCCCCCCCCCCCCCCCCN MCULE-6780490435 [2,0,0,0,0,0|1,0,0]=3 22 B18R0.221 CCCCCCCCCCCCCCCCCCO MCULE-4390437415 [2,0,0,0,0,0|1,0,0]=3 23 B18R0.221 CCCCCCCCCCCCCCCCCCS MCULE-1398131164 [2,0,0,0,0,0|1,0,0]=3 24 B18R0.221 CCCCCCCCCCCCCCCCSCC MCULE-6430570072 [2,0,0,0,0,0|1,0,0]=3 25 B18R0.221 CCCCCCCCCCCCCCNCCCO MCULE-5168079887 [2,0,0,0,0,0|2,0,0]=4 26 B18R0.221 CCCCCCCCCCCCCC[NH2+]CCCC MCULE-2480939287 [2,0,0,0,0,0|1,0,0]=3 27 B18R0.221 CCCCCCCCCCCCCC[NH2+]CCCC MCULE-5858293059 [2,0,0,0,0,0|1,0,0]=3 28 B18R0.221 CCCCCCCCCNCCCCCCCCC MCULE-2182455098 [2,0,0,0,0,0|1,0,0]=3 29 B18R0.221 CCCCCCCCCNCCCCCCCCC MCULE-2737303457 [2,0,0,0,0,0|1,0,0]=3 30 B18R0.221 CCCCCCCCCSCCCCCCCCC MCULE-4540816041 [2,0,0,0,0,0|1,0,0]=3 31 B18R0.221 CCCCCCCSCCCSCCCCCCC MCULE-9517341346 [2,0,0,0,0,0|2,0,0]=4 32 B18R0.221 OCCCCCCCCCCCCCCCCCO MCULE-8245676043 [2,0,0,0,0,0|2,0,0]=4 33 B20R0.68 CCCCCCCCC(O)CCCCCCCCC(=O)O MCULE-8431505935 [1,1,0,0,0,0|1,0,1]=4 34 B20R0.10415 CCCCCCCCCCOC(=O)CCCCCCCC MCULE-8320881747 [1,1,0,0,0,0|0,0,2]=4 35 B20R0.28543 CCCCCCCCCC[N+](C)(C)CCCCCCCC MCULE-5395377961 [1,1,0,0,0,0|1,0,0]=3 36 B20R0.28543 CCCCCCCCCC[N+](C)(C)CCCCCCCC MCULE-8777887500 [1,1,0,0,0,0|1,0,0]=3 37 B20R0.31962 CCCCCCCCOCC(O)COCCOCCCC MCULE-2832949905 [1,1,0,0,0,0|2,0,0]=4 38 B22R0.714319 CCCCCCCCCCC(CBr)CCCCCCCCCC MCULE-7501225212 [0,2,0,0,0,0|1,0,0]=3 39 B20R1.8363 CCCCCCCCC1CN(CCO1)CCCCCC MCULE-9950175597 [1,0,0,1,0,0|2,0,0]=4 40 B20R1.8363 CCCCCCCCN1CCOC(C1)CCCCCC MCULE-2843867131 [1,0,0,1,0,0|2,0,0]=4 41 B20R1.32767 CCCCCCCCCCC1CN(CCO1)CCCC MCULE-6522553152 [1,0,0,1,0,0|2,0,0]=4 42 B20R1.32767 CCCCCCCCCCN1CCOC(C1)CCCC MCULE-3959316559 [1,0,0,1,0,0|2,0,0]=4 43 B22R1.258 CCCCCCCCN1CCN(CC1)CCCCCCCC MCULE-9535759490 [0,1,0,1,0,0|2,0,0]=4