0 B22R0.9489 CCCCCCCCCCCCCCCCCCOS(=O)(=O)O MCULE-5496403725 [0,0,0,0,0,0|3,0,1]=4 1 B21R0.81 CCCCCCCCCCCCCCC=CCCCC(=O)O MCULE-6785318094 [1,0,0,0,0,0|2,0,1]=4 2 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)C MCULE-5537259513 [1,0,0,0,0,0|3,0,0]=4 3 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)N MCULE-7873009658 [1,0,0,0,0,0|3,0,0]=4 4 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)O MCULE-2888473872 [1,0,0,0,0,0|2,0,0]=3 5 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-5169106993 [1,0,0,0,0,0|2,0,1]=4 6 B21R0.81 O=C(O)CCCCCCCCCCCCCCCCCCBr MCULE-3663484390 [1,0,0,0,0,0|3,0,0]=4 7 B21R0.81 O=C(O)CCCCCCCCCCCCCCCCCCO MCULE-7315062903 [1,0,0,0,0,0|3,0,0]=4 8 B21R0.36399 CCCCCCCCCCCCCCCCCCP(=O)(O)O MCULE-5807255184 [1,0,0,0,0,0|0,0,0]=1 9 B21R0.36399 CCCCCCCCCCCCCCCCCCS(=O)(=O)O MCULE-9427388139 [1,0,0,0,0,0|1,0,1]=3 10 B21R0.36399 CCCCCCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-3444519383 [1,0,0,0,0,0|1,0,2]=4 11 B20R0.2932 CCCCCCCCCCCCCCCCCCCC=O MCULE-2583593775 [2,0,0,0,0,0|2,0,0]=4 12 B20R0.2932 CCCCCCCCCCCCCCCCCCCCO MCULE-7922551976 [2,0,0,0,0,0|2,0,0]=4 13 B20R0.31940 CCCCCCCCCCCCCCCCCCB(O)O MCULE-4425312913 [2,0,0,0,0,0|1,0,0]=3 14 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)C MCULE-6612200716 [2,0,0,0,0,0|2,0,0]=4 15 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)Cl MCULE-8687950753 [2,0,0,0,0,0|2,0,0]=4 16 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)N MCULE-5930779500 [2,0,0,0,0,0|2,0,0]=4 17 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)O MCULE-3651545554 [2,0,0,0,0,0|1,0,0]=3 18 B20R0.31940 CCCCCCCCCCCCCCCCCCN(=O)=O MCULE-9592584788 [2,0,0,0,0,0|0,1,1]=4 19 B20R0.31940 CCCCCCCCCCCCNCCCCCC(=O)O MCULE-2808072086 [2,0,0,0,0,0|2,0,0]=4 20 B20R0.31940 CCCCCCCNCCCCCCCCCCC(=O)O MCULE-1452338178 [2,0,0,0,0,0|2,0,0]=4 21 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCBr MCULE-1900787768 [2,0,0,0,0,0|2,0,0]=4 22 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCO MCULE-7843488730 [2,0,0,0,0,0|2,0,0]=4 23 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCS MCULE-8278921645 [2,0,0,0,0,0|2,0,0]=4 24 B20R0.32509 CCCCCCCCCCCCCCCCOP(=O)(O)O MCULE-1298294906 [2,0,0,0,0,0|1,0,0]=3 25 B20R0.32509 CCCCCCCCCCCCCCCCOP(=O)([O-])O MCULE-1694896141 [2,0,0,0,0,0|1,0,1]=4 26 B22R0.2907 CCCCCCCCCCCCCCCCCCCCC(=O)O MCULE-6667030670 [1,1,0,0,0,0|2,0,0]=4 27 B22R0.2907 CCCCCCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-7985017224 [1,1,0,0,0,0|2,0,0]=4 28 B22R0.2907 CCCCCCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-9347414737 [1,1,0,0,0,0|2,0,0]=4 29 B22R0.2907 O=C(O)CCCCCCCCCCCCCCCCCCCBr MCULE-3103891127 [1,1,0,0,0,0|2,0,0]=4 30 B22R0.2907 O=C(O)CCCCCCCCCCCCCCCCCCCO MCULE-6200904053 [1,1,0,0,0,0|2,0,0]=4 31 B22R0.9148 CC(C)CCCCCCCCCCCCCCCCCC(=O)O MCULE-5724324181 [1,1,0,0,0,0|2,0,0]=4 32 B22R0.25844 CCCCCC(O)CCCCCCCCCCCCCC(=O)O MCULE-8386934783 [1,1,0,0,0,0|2,0,0]=4 33 B22R0.31744 CCC(C)CCCCCCCCCCCCCCCCC(=O)O MCULE-2432862438 [1,1,0,0,0,0|2,0,0]=4 34 B22R0.37964 CCCCCCCCCCCCCCCCCCCC(=O)OC MCULE-1741761685 [1,1,0,0,0,0|2,0,0]=4 35 B22R0.37967 CCCCCCCCCCCCCCCCCCC(C)C(=O)O MCULE-4806310815 [1,1,0,0,0,0|2,0,0]=4 36 B22R0.37967 CCCCCCCCCCCCCCCCCCC(O)C(=O)O MCULE-3500041904 [1,1,0,0,0,0|2,0,0]=4 37 B24R0.25756 CCCCCCCCCCCCCCCC(O)C(N)COP(=O)(O)O MCULE-1066435246 [0,2,0,0,0,0|2,0,0]=4