0 B19R0.26208 CCCCCCCCCC(=O)CCCCCCCCC MCULE-1091485507 [0,0,0,0,0,0|0,0,0]=0 1 B19R0.26208 CCCCCCCCCC(=O)OCCCCCCCC MCULE-8539471241 [0,0,0,0,0,0|1,0,0]=1 2 B19R0.26208 CCCCCCCCCC(N)CCCCCCCCC MCULE-2479497995 [0,0,0,0,0,0|1,0,1]=2 3 B19R0.26208 CCCCCCCCCC(O)CCCCCCCCC MCULE-6565530891 [0,0,0,0,0,0|0,0,2]=2 4 B19R0.26208 CCCCCCCCCN(C)CCCCCCCCC MCULE-8142906904 [0,0,0,0,0,0|2,0,0]=2 5 B19R0.26208 CCCCCCCCCS(=O)CCCCCCCCC MCULE-9617589552 [0,0,0,0,0,0|1,0,0]=1 6 B19R0.26208 CCCCCCCCNC(=S)NCCCCCCCC MCULE-2223710114 [0,0,0,0,0,0|2,1,0]=3 7 B19R0.26208 CCCCCCCCOC(=O)OCCCCCCCC MCULE-4929466340 [0,0,0,0,0,0|2,0,0]=2 8 B19R0.26208 CCCCCCCCOS(=O)OCCCCCCCC MCULE-1763702317 [0,0,0,0,0,0|3,0,0]=3 9 B18R0.221 C=CCCCCCCCCCCCCCCCCC MCULE-9065008280 [1,0,0,0,0,0|0,0,3]=4 10 B18R0.221 CCCCCCCC/C=C\CCCCCCCC=O MCULE-3882347276 [1,0,0,0,0,0|1,0,2]=4 11 B18R0.221 CCCCCCCC/C=C\CCCCCCCCBr MCULE-7059336133 [1,0,0,0,0,0|1,0,1]=3 12 B18R0.221 CCCCCCCC/C=C\CCCCCCCCN MCULE-9776233855 [1,0,0,0,0,0|1,0,1]=3 13 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[1,0,0,0,0,0|1,0,1]=3 27 B18R0.221 CCCCCCCCCCCCCCCCCCN MCULE-6780490435 [1,0,0,0,0,0|1,0,1]=3 28 B18R0.221 CCCCCCCCCCCCCCCCCCO MCULE-4390437415 [1,0,0,0,0,0|1,0,1]=3 29 B18R0.221 CCCCCCCCCCCCCCCCCCS MCULE-1398131164 [1,0,0,0,0,0|1,0,1]=3 30 B18R0.221 CCCCCCCCCCCCCCCCSCC MCULE-6430570072 [1,0,0,0,0,0|1,0,1]=3 31 B18R0.221 CCCCCCCCCCCCCCNCCCO MCULE-5168079887 [1,0,0,0,0,0|2,0,1]=4 32 B18R0.221 CCCCCCCCCCCCCC[NH2+]CCCC MCULE-2480939287 [1,0,0,0,0,0|1,0,1]=3 33 B18R0.221 CCCCCCCCCCCCCC[NH2+]CCCC MCULE-5858293059 [1,0,0,0,0,0|1,0,1]=3 34 B18R0.221 CCCCCCCCCNCCCCCCCCC MCULE-2182455098 [1,0,0,0,0,0|1,0,0]=2 35 B18R0.221 CCCCCCCCCNCCCCCCCCC MCULE-2737303457 [1,0,0,0,0,0|1,0,0]=2 36 B18R0.221 CCCCCCCCCSCCCCCCCCC MCULE-4540816041 [1,0,0,0,0,0|1,0,0]=2 37 B18R0.221 CCCCCCCSCCCSCCCCCCC MCULE-9517341346 [1,0,0,0,0,0|2,0,1]=4 38 B18R0.221 CCCCCCOCCNCCOCCCCCC MCULE-2099593986 [1,0,0,0,0,0|3,0,0]=4 39 B18R0.221 CCCCCCOCCNCCOCCCCCC MCULE-8571394656 [1,0,0,0,0,0|3,0,0]=4 40 B18R0.221 CCCCCCSCCOCCSCCCCCC MCULE-6223825661 [1,0,0,0,0,0|3,0,0]=4 41 B18R0.221 OCCCCCCCCCCCCCCCCCO MCULE-8245676043 [1,0,0,0,0,0|2,0,1]=4 42 B18R0.11621 CCCCCCCCCC(O)CCCCCCCC MCULE-3839358113 [1,0,0,0,0,0|0,0,2]=3 43 B20R0.16960 CCCCCCCCCS(=O)(=O)CCCCCCCCC MCULE-7037827012 [0,1,0,0,0,0|1,0,0]=2 44 B20R0.17440 CCCCCCCCCC(=O)CCCCCCCC(=O)O MCULE-9953422548 [0,1,0,0,0,0|1,0,1]=3 45 B20R0.31962 CCCCCCCCCNC(=O)CCCCCCCCC MCULE-2937146497 [0,1,0,0,0,0|0,0,0]=1 46 B20R0.31962 CCCCCCCCCOC(=O)CCCCCCCCC MCULE-6987366501 [0,1,0,0,0,0|0,0,0]=1 47 B20R0.33213 CCCCCCCCCN(CCCCCCCCC)N=O MCULE-3126025868 [0,1,0,0,0,0|1,0,0]=2 48 B17R0.117 BrCCCCCCCCCCCCCCCCBr MCULE-1772004339 [2,0,0,0,0,0|2,0,0]=4 49 B17R0.117 C#CCCCCCCCCCCCCCCCC MCULE-5076637744 [2,0,0,0,0,0|0,0,2]=4 50 B17R0.117 C=CCCCCCCCCCCCCCCCC MCULE-2516709852 [2,0,0,0,0,0|0,0,2]=4 51 B17R0.117 CCCCCCCCC#CCCCCCCCC MCULE-3536284106 [2,0,0,0,0,0|0,0,2]=4 52 B17R0.117 CCCCCCCCC=CCCCCCCCC MCULE-6516744308 [2,0,0,0,0,0|0,0,1]=3 53 B17R0.117 CCCCCCCCCCCCCCCCC#N MCULE-6977232864 [2,0,0,0,0,0|1,0,1]=4 54 B17R0.117 CCCCCCCCCCCCCCCCC=O MCULE-7209784895 [2,0,0,0,0,0|1,0,1]=4 55 B17R0.117 CCCCCCCCCCCCCCCCCBr MCULE-6281216518 [2,0,0,0,0,0|1,0,0]=3 56 B17R0.117 CCCCCCCCCCCCCCCCCC MCULE-2392852814 [2,0,0,0,0,0|0,0,0]=2 57 B17R0.117 CCCCCCCCCCCCCCCCCN MCULE-2249148626 [2,0,0,0,0,0|1,0,0]=3 58 B17R0.117 CCCCCCCCCCCCCCCCCO MCULE-5595057947 [2,0,0,0,0,0|1,0,0]=3 59 B17R0.117 CCCCCCCCCCCCCCCCNC MCULE-1285251874 [2,0,0,0,0,0|1,0,0]=3 60 B17R0.117 CCCCCCCCCCCCCCNCCO MCULE-9295121461 [2,0,0,0,0,0|2,0,0]=4 61 B17R0.117 CCCCCCCCCCCCCCOCCO MCULE-7801199331 [2,0,0,0,0,0|2,0,0]=4 62 B17R0.117 CCCCCCCCCCCCCOCCCO MCULE-3687360805 [2,0,0,0,0,0|2,0,0]=4 63 B17R0.117 CCCCCCCCCCCCCOCCCO MCULE-8888652835 [2,0,0,0,0,0|2,0,0]=4 64 B17R0.117 CCCCCCCCSSCCCCCCCC MCULE-1412413897 [2,0,0,0,0,0|2,0,0]=4 65 B17R0.117 CCCCCCCNCCNCCCCCCC MCULE-1814954032 [2,0,0,0,0,0|2,0,0]=4 66 B17R0.117 CCCCCCCNCCOCCCCCCC MCULE-7773202452 [2,0,0,0,0,0|2,0,0]=4 67 B17R0.117 CCCCCCCSCCSCCCCCCC MCULE-5166739640 [2,0,0,0,0,0|2,0,0]=4 68 B17R0.117 CCCCCSCCCCCCSCCCCC MCULE-2112540306 [2,0,0,0,0,0|2,0,0]=4 69 B17R0.117 NCCCCCCCCCCCCCCCCN MCULE-4384458307 [2,0,0,0,0,0|2,0,0]=4 70 B17R0.117 OCCCCCCCCCCCCCCCCBr MCULE-1022662758 [2,0,0,0,0,0|2,0,0]=4 71 B17R0.117 OCCCCCCCCCCCCCCCCO MCULE-4723598157 [2,0,0,0,0,0|2,0,0]=4 72 B17R0.117 OCCCCCCCCCCCCCCCCS MCULE-2183879155 [2,0,0,0,0,0|2,0,0]=4 73 B17R0.117 SCCCCCCCCCCCCCCCCS MCULE-1100070319 [2,0,0,0,0,0|2,0,0]=4 74 B17R0.104 CCCCCCCCC(=O)CCCCCCCC MCULE-9065183097 [2,0,0,0,0,0|0,0,0]=2 75 B17R0.104 CCCCCCCCC(N)CCCCCCCC MCULE-1836259251 [2,0,0,0,0,0|1,0,1]=4 76 B17R0.104 CCCCCCCCC(O)CCCCCCCC MCULE-8047901126 [2,0,0,0,0,0|0,0,2]=4 77 B17R0.104 CCCCCCCCN(C)CCCCCCCC MCULE-2119452066 [2,0,0,0,0,0|2,0,0]=4 78 B17R0.104 CCCCCCCCS(=O)CCCCCCCC MCULE-6537929588 [2,0,0,0,0,0|1,0,0]=3 79 B17R0.104 CCCCCCCCS(=O)CCCCCCCO MCULE-6854120083 [2,0,0,0,0,0|2,0,0]=4 80 B17R0.104 CCCCCCCOC(=O)CCCCCCCBr MCULE-8313275319 [2,0,0,0,0,0|2,0,0]=4 81 B17R0.8809 CCCCCCCCCC(=O)CCCCCCC 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CCCCCCCCCCCCCCCCOCCO MCULE-8116144329 [1,1,0,0,0,0|1,0,1]=4 96 B19R0.36 CCCCCCCCCCCCCCNCCCCC MCULE-7245951059 [1,1,0,0,0,0|0,0,1]=3 97 B19R0.36 CCCCCCCCCCCCCC[NH2+]CCOCC MCULE-1808105141 [1,1,0,0,0,0|1,0,1]=4 98 B19R0.36 CCCCCCCCCCCCCC[NH2+]CCOCC MCULE-9270101302 [1,1,0,0,0,0|1,0,1]=4 99 B19R0.36 CCCCCCCCNCCNCCCCCCCC MCULE-5522648843 [1,1,0,0,0,0|1,0,1]=4 100 B19R0.36 CCCCCCCCOCCOCCCCCCCC MCULE-3373081777 [1,1,0,0,0,0|1,0,1]=4 101 B19R0.36 CCCCCCSCCCCCCSCCCCCC MCULE-3026194130 [1,1,0,0,0,0|1,0,1]=4 102 B19R0.36 NCCCCCCCCCCCCCCCCCCN MCULE-8057998756 [1,1,0,0,0,0|1,0,1]=4 103 B19R0.36 OCCCCCCCCCCCCCCCCCCO MCULE-6691412387 [1,1,0,0,0,0|1,0,1]=4 104 B19R0.36 [NH2+](CCO)CCCCCCCCCCCCCCCC MCULE-3078531807 [1,1,0,0,0,0|1,0,1]=4 105 B19R0.148 CCCCCCCCCCCCCCCCC(O)CN MCULE-9682126343 [1,1,0,0,0,0|1,0,1]=4 106 B19R0.148 CCCCCCCCCCCCCCCC[C@@H](O)CO MCULE-5392529093 [1,1,0,0,0,0|1,0,1]=4 107 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)C MCULE-4728028088 [1,1,0,0,0,0|0,0,2]=4 108 B19R0.149 CCCCCCCCCCCCCCCCCC(C)N MCULE-5176481050 [1,1,0,0,0,0|0,0,1]=3 109 B19R0.149 CCCCCCCCCCCCCCCCNC(C)C MCULE-2014547712 [1,1,0,0,0,0|1,0,1]=4 110 B19R0.149 CCCCCCCCCCCCCCCCNC(C)C MCULE-4238475982 [1,1,0,0,0,0|1,0,1]=4 111 B19R0.18065 CCCCCCC(O)CCCCCCCCCCCO MCULE-1479121850 [1,1,0,0,0,0|1,0,1]=4 112 B19R0.23229 CCCCCCCCCCC(=O)CCCCCCCC MCULE-7623628750 [1,1,0,0,0,0|0,0,2]=4 113 B19R0.23229 CCCCCCCCCCC(O)CCCCCCCC MCULE-8412489803 [1,1,0,0,0,0|0,0,1]=3 114 B19R0.7563 CCCCCCCCC(C)C(C)CCCCCCCC MCULE-9887584415 [1,1,0,0,0,0|1,0,1]=4 115 B19R0.26214 CCCCCCCCCC(=O)CCCCCCC(=O)O MCULE-8979687298 [1,1,0,0,0,0|1,0,1]=4 116 B21R0.2929 CCCCCCCCCC(=O)CCCCCCCC(=O)OC MCULE-3135311657 [0,2,0,0,0,0|0,0,1]=3 117 B21R0.9162 CCCCCCCCCCOC(=O)CCCCCCCCC MCULE-3338209346 [0,2,0,0,0,0|0,0,0]=2 118 B21R0.18592 CCCCCCCCCCC(=O)CCCCCCCCCC MCULE-1272860747 [0,2,0,0,0,0|0,0,0]=2 119 B21R0.18592 CCCCCCCCCCC(O)CCCCCCCCCC MCULE-1001180406 [0,2,0,0,0,0|0,0,2]=4 120 B21R0.18592 CCCCCCCCCCN(C)CCCCCCCCCC MCULE-8151829268 [0,2,0,0,0,0|2,0,0]=4 121 B21R0.18592 CCCCCCCCCCS(=O)CCCCCCCCCC MCULE-4177520989 [0,2,0,0,0,0|1,0,0]=3 122 B21R0.18592 CCCCCCCCOCC(O)COCCCCCCCC MCULE-2483047221 [0,2,0,0,0,0|0,0,2]=4 123 B21R0.18805 CCCCCCCCNC(=O)C(=O)NCCCCCCCC MCULE-7889977342 [0,2,0,0,0,0|1,0,1]=4 124 B21R0.18805 CCCCCCCCOC(=O)C(=O)OCCCCCCCC MCULE-6569872769 [0,2,0,0,0,0|1,0,1]=4 125 B21R0.36685 CCCCCCCCCC(=O)CCCCCCCCC(=O)O MCULE-9210864288 [0,2,0,0,0,0|0,0,1]=3 126 B21R0.146792 CCCCCCCCCC(CCCCCCCCC)C(=O)O MCULE-9900705072 [0,2,0,0,0,0|0,0,1]=3 127 B19R1.275 CCCCCCCCCCCCCC1CCCCC1 MCULE-3381978862 [1,0,0,1,0,0|0,0,1]=3 128 B19R1.275 CCCCCCCCCCCCNC1CCCCC1 MCULE-8016058369 [1,0,0,1,0,0|1,0,1]=4 129 B19R1.3745 CCCCCCCCCCCCCCN1CCCC1 MCULE-8909513479 [1,0,0,1,0,0|1,0,1]=4 130 B19R1.3745 [NH+]1(CCCC1)CCCCCCCCCCCCCC MCULE-8048138952 [1,0,0,1,0,0|1,0,1]=4 131 B19R1.46520 CCCCCCCCCCCCCCCCC1CO1 MCULE-1843981676 [1,0,0,1,0,0|1,0,1]=4 132 B19R1.30526 CCCCCCCCCC(=O)NC1CCCCC1C MCULE-2394601368 [1,0,0,1,0,0|1,0,0]=3