0 B16R0.303 BrCCCCCCCCCCCCCCCBr MCULE-7690331860 [0,0,0,0,0,0|2,0,1]=3 1 B16R0.303 C#CCCCCCCCCCCCC=CC=O MCULE-6114010481 [0,0,0,0,0,0|0,0,4]=4 2 B16R0.303 C#CCCCCCCCCCCCCCCC MCULE-1536008008 [0,0,0,0,0,0|1,0,1]=2 3 B16R0.303 C=CCCCC=CCNCCCCCCCC MCULE-1346583522 [0,0,0,0,0,0|2,0,2]=4 4 B16R0.303 C=CCCCCCCCCCCCCCCBr MCULE-4098921493 [0,0,0,0,0,0|2,0,0]=2 5 B16R0.303 C=CCCCCCCCCCCCCCCC MCULE-3016072683 [0,0,0,0,0,0|1,0,0]=1 6 B16R0.303 C=COOOCCCCCCCCCCCC MCULE-7638038244 [0,0,0,0,0,0|4,0,0]=4 7 B16R0.303 C=COOOCCCCCCCCCCCC MCULE-7765503560 [0,0,0,0,0,0|4,0,0]=4 8 B16R0.303 CCCC/C=C/CCCCCCCCCCO MCULE-5377938706 [0,0,0,0,0,0|0,0,4]=4 9 B16R0.303 CCCC/C=C\CCCCCCCCCC=O MCULE-7543337765 [0,0,0,0,0,0|0,0,2]=2 10 B16R0.303 CCCC/C=C\CCCCCCCCCCO MCULE-6615475789 [0,0,0,0,0,0|0,0,4]=4 11 B16R0.303 CCCCC#CCCCCCCCCCCO MCULE-7633083833 [0,0,0,0,0,0|0,0,4]=4 12 B16R0.303 CCCCC/C=C/CCCCCCCCC=O MCULE-7710373986 [0,0,0,0,0,0|0,0,2]=2 13 B16R0.303 CCCCC=CCCCCCCCCCC=O MCULE-5668746450 [0,0,0,0,0,0|0,0,2]=2 14 B16R0.303 CCCCC=CCCCCCCCCCCO MCULE-9055680228 [0,0,0,0,0,0|0,0,4]=4 15 B16R0.303 CCCCCC=CCCCCCCCCC=O MCULE-6918532041 [0,0,0,0,0,0|0,0,2]=2 16 B16R0.303 CCCCCCC/C=C/CCCCCCCC MCULE-3851307693 [0,0,0,0,0,0|1,0,3]=4 17 B16R0.303 CCCCCCC=CCCCCCCCC=O MCULE-4206989660 [0,0,0,0,0,0|0,0,2]=2 18 B16R0.303 CCCCCCC=CCCCCCCCCO MCULE-2420123615 [0,0,0,0,0,0|0,0,4]=4 19 B16R0.303 CCCCCCCC=CCCCCCCCC MCULE-8207675419 [0,0,0,0,0,0|1,0,3]=4 20 B16R0.303 CCCCCCCCC#CCCCCCCO MCULE-7786778206 [0,0,0,0,0,0|0,0,4]=4 21 B16R0.303 CCCCCCCCCCCCCC=CC=O MCULE-7601303988 [0,0,0,0,0,0|0,0,2]=2 22 B16R0.303 CCCCCCCCCCCCCCCC#N MCULE-6973931298 [0,0,0,0,0,0|1,0,1]=2 23 B16R0.303 CCCCCCCCCCCCCCCC=O MCULE-1337115097 [0,0,0,0,0,0|0,0,0]=0 24 B16R0.303 CCCCCCCCCCCCCCCCBr MCULE-7970004064 [0,0,0,0,0,0|1,0,1]=2 25 B16R0.303 CCCCCCCCCCCCCCCCC MCULE-3718944215 [0,0,0,0,0,0|1,0,1]=2 26 B16R0.303 CCCCCCCCCCCCCCCCCl MCULE-6806630762 [0,0,0,0,0,0|1,0,1]=2 27 B16R0.303 CCCCCCCCCCCCCCCCI MCULE-7905733232 [0,0,0,0,0,0|1,0,1]=2 28 B16R0.303 CCCCCCCCCCCCCCCCN MCULE-2718073245 [0,0,0,0,0,0|1,0,1]=2 29 B16R0.303 CCCCCCCCCCCCCCCCO MCULE-9457426256 [0,0,0,0,0,0|0,0,2]=2 30 B16R0.303 CCCCCCCCCCCCCCCCS MCULE-4288584728 [0,0,0,0,0,0|0,1,1]=2 31 B16R0.303 CCCCCCCCCCCCCCN=C=O MCULE-4145501681 [0,0,0,0,0,0|1,0,1]=2 32 B16R0.303 CCCCCCCCCCCCCCN=C=S MCULE-4782187367 [0,0,0,0,0,0|1,1,1]=3 33 B16R0.303 CCCCCCCCCCCCNCCC#N MCULE-6886809138 [0,0,0,0,0,0|2,0,1]=3 34 B16R0.303 CCCCCCCCCCCCNCCCN MCULE-3001697150 [0,0,0,0,0,0|2,0,1]=3 35 B16R0.303 CCCCCCCCCCCCOCCC#N MCULE-9018423352 [0,0,0,0,0,0|2,0,1]=3 36 B16R0.303 CCCCCCCCCCCCOCCCN MCULE-9349081748 [0,0,0,0,0,0|2,0,1]=3 37 B16R0.303 CCCCCCCCCCCCSCCCO MCULE-5140051072 [0,0,0,0,0,0|1,0,2]=3 38 B16R0.303 CCCCCCCCCCCC[NH2+]CCCC MCULE-3589394033 [0,0,0,0,0,0|2,0,1]=3 39 B16R0.303 CCCCCCCCCCCC[NH2+]CCCC MCULE-8680690151 [0,0,0,0,0,0|2,0,1]=3 40 B16R0.303 CCCCCCCCCCCC[NH2+]CCCCl MCULE-2363035840 [0,0,0,0,0,0|2,0,1]=3 41 B16R0.303 CCCCCCCCCCCC[NH2+]CCCCl MCULE-9418570773 [0,0,0,0,0,0|2,0,1]=3 42 B16R0.303 CCCCCCCCCCNCCOCCO MCULE-8259765985 [0,0,0,0,0,0|2,0,2]=4 43 B16R0.303 CCCCCCCCCCOCCOCCCl MCULE-7910049717 [0,0,0,0,0,0|3,0,1]=4 44 B16R0.303 CCCCCCCCCCOCCOCCO MCULE-7547044004 [0,0,0,0,0,0|2,0,2]=4 45 B16R0.303 CCCCCCCCCCSCCOCCO MCULE-8507672081 [0,0,0,0,0,0|2,0,2]=4 46 B16R0.303 CCCCCCCCNCCCCCCCC MCULE-4493002162 [0,0,0,0,0,0|2,0,1]=3 47 B16R0.303 CCCCCCCCOCCCCCCCC MCULE-1626708169 [0,0,0,0,0,0|2,0,1]=3 48 B16R0.303 CCCCCCCCSCCCCCCCC MCULE-5901093421 [0,0,0,0,0,0|2,0,1]=3 49 B16R0.303 CCCCCCCCSCCCCCCCO MCULE-8968963881 [0,0,0,0,0,0|1,0,2]=3 50 B16R0.303 CCCCCCSCCCSCCCCCC MCULE-1761827361 [0,0,0,0,0,0|3,0,1]=4 51 B16R0.303 OCCCCCCCCCCCCCCCBr MCULE-4806172404 [0,0,0,0,0,0|1,0,2]=3 52 B16R0.303 OCCCCCCCCCCCCCCCO MCULE-2337452795 [0,0,0,0,0,0|1,0,2]=3 53 B16R0.303 [NH3+]CCCOCCCCCCCCCCCC MCULE-9082677353 [0,0,0,0,0,0|2,0,1]=3 54 B15R0.70 BrCCCCCCCCCCCCCCBr MCULE-6889376040 [1,0,0,0,0,0|2,0,0]=3 55 B15R0.70 C#CCCCCCCCCCCCCCC MCULE-8004044828 [1,0,0,0,0,0|0,0,2]=3 56 B15R0.70 C#CCCCCCCCCCCCCCO MCULE-6688649818 [1,0,0,0,0,0|0,0,3]=4 57 B15R0.70 C=CCCCCCCCCCCCCCBr MCULE-2396015907 [1,0,0,0,0,0|1,0,1]=3 58 B15R0.70 C=CCCCCCCCCCCCCCC MCULE-4969847612 [1,0,0,0,0,0|0,0,1]=2 59 B15R0.70 C=CCCCCCCCCCCCCCO MCULE-1065498044 [1,0,0,0,0,0|1,0,1]=3 60 B15R0.70 CCCCCCCC#CCCCCCCC MCULE-1864077511 [1,0,0,0,0,0|0,0,3]=4 61 B15R0.70 CCCCCCCCCCCCCCC#N MCULE-8488724666 [1,0,0,0,0,0|1,0,1]=3 62 B15R0.70 CCCCCCCCCCCCCCC=O MCULE-3290991576 [1,0,0,0,0,0|0,0,0]=1 63 B15R0.70 CCCCCCCCCCCCCCCBr MCULE-8425641825 [1,0,0,0,0,0|1,0,0]=2 64 B15R0.70 CCCCCCCCCCCCCCCC MCULE-6113174809 [1,0,0,0,0,0|0,0,1]=2 65 B15R0.70 CCCCCCCCCCCCCCCI MCULE-3840639439 [1,0,0,0,0,0|1,0,0]=2 66 B15R0.70 CCCCCCCCCCCCCCCN MCULE-1378870281 [1,0,0,0,0,0|1,0,0]=2 67 B15R0.70 CCCCCCCCCCCCCCCO MCULE-4053675052 [1,0,0,0,0,0|0,0,1]=2 68 B15R0.70 CCCCCCCCCCCCCCCS MCULE-7681133186 [1,0,0,0,0,0|0,1,0]=2 69 B15R0.70 CCCCCCCCCCCCCNCC MCULE-7261878767 [1,0,0,0,0,0|1,0,1]=3 70 B15R0.70 CCCCCCCCCCCCNCCC MCULE-2378403543 [1,0,0,0,0,0|1,0,1]=3 71 B15R0.70 CCCCCCCCCCCCNCCO MCULE-1636811846 [1,0,0,0,0,0|1,0,1]=3 72 B15R0.70 CCCCCCCCCCCCOCCCl MCULE-9177808600 [1,0,0,0,0,0|2,0,0]=3 73 B15R0.70 CCCCCCCCCCCCOCCO MCULE-5043607718 [1,0,0,0,0,0|1,0,1]=3 74 B15R0.70 CCCCCCCCCCCCSCCN MCULE-9926172507 [1,0,0,0,0,0|2,0,0]=3 75 B15R0.70 CCCCCCCCCCCCSCCO MCULE-7138907549 [1,0,0,0,0,0|1,0,1]=3 76 B15R0.70 CCCCCCCCCCCNCCCC MCULE-4441534633 [1,0,0,0,0,0|1,0,1]=3 77 B15R0.70 CCCCCCCCCCCNCCCO MCULE-1917257904 [1,0,0,0,0,0|1,0,1]=3 78 B15R0.70 CCCCCCCCCCOCCCCO MCULE-2477857106 [1,0,0,0,0,0|1,0,1]=3 79 B15R0.70 CCCCCCCCCOCCOCCCl MCULE-9418209466 [1,0,0,0,0,0|3,0,0]=4 80 B15R0.70 CCCCCCCCNCCCCCCC MCULE-1117954596 [1,0,0,0,0,0|1,0,1]=3 81 B15R0.70 CCCCCCCCOCCCCCCO MCULE-7610355921 [1,0,0,0,0,0|1,0,1]=3 82 B15R0.70 CCCCCCCSSCCCCCCC MCULE-9553613631 [1,0,0,0,0,0|2,0,1]=4 83 B15R0.70 CCCCCCOCCOCCCCCC MCULE-5385385768 [1,0,0,0,0,0|2,0,1]=4 84 B15R0.70 CCCCCCSCCSCCCCCC MCULE-3751696231 [1,0,0,0,0,0|2,0,1]=4 85 B15R0.70 CCCCNCCCCCCNCCCC MCULE-4422511476 [1,0,0,0,0,0|2,0,1]=4 86 B15R0.70 CCOCCCCCCCCCCOCC MCULE-3819692514 [1,0,0,0,0,0|2,0,1]=4 87 B15R0.70 CNCCCCCCCCCCCCNC MCULE-7856760950 [1,0,0,0,0,0|2,0,1]=4 88 B15R0.70 NCCCCCCCCCCCCCCN MCULE-7594246043 [1,0,0,0,0,0|2,0,0]=3 89 B15R0.70 NCCCCCCCCCCCCCCO MCULE-2816059720 [1,0,0,0,0,0|1,0,1]=3 90 B15R0.70 OCCCCCCCCCCCCCCBr MCULE-7763469638 [1,0,0,0,0,0|1,0,1]=3 91 B15R0.70 OCCCCCCCCCCCCCCO MCULE-9200527284 [1,0,0,0,0,0|1,0,1]=3 92 B15R0.70 [NH2+](CCC)CCCCCCCCCCCC MCULE-4353484799 [1,0,0,0,0,0|1,0,1]=3 93 B15R0.70 [NH2+](CCCC)CCCCCCCCCCC MCULE-8141295559 [1,0,0,0,0,0|1,0,1]=3 94 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O MCULE-4134557983 [0,1,0,0,0,0|0,0,2]=3 95 B17R0.43 C(=C\CCCCCCCC(=O)O)\CCCCCC MCULE-4164601038 [0,1,0,0,0,0|0,0,2]=3 96 B17R0.43 C/C=C/CCCCCCCCCCCOC(=O)C MCULE-7955168231 [0,1,0,0,0,0|1,0,2]=4 97 B17R0.43 C/C=C\CCCCCCCCCCCOC(=O)C MCULE-7310879607 [0,1,0,0,0,0|1,0,2]=4 98 B17R0.43 C=C(C)CCCCCCCCCCCCCCC MCULE-5834819134 [0,1,0,0,0,0|1,0,0]=2 99 B17R0.43 C=CCCCCCCCCCCCCCC(=O)O MCULE-8140028401 [0,1,0,0,0,0|0,0,2]=3 100 B17R0.43 CC(C)CCCCCCCCCCCCCCO MCULE-8255040422 [0,1,0,0,0,0|0,0,2]=3 101 B17R0.43 CC/C=C/CCCCCCCCCCOC(=O)C MCULE-2310057958 [0,1,0,0,0,0|1,0,2]=4 102 B17R0.43 CC/C=C\CCCCCCCCCCOC(=O)C MCULE-7183538783 [0,1,0,0,0,0|1,0,2]=4 103 B17R0.43 CC=CCCCCCCCCCCCOC(=O)C MCULE-4294509038 [0,1,0,0,0,0|1,0,2]=4 104 B17R0.43 CCC=CCCCCCCCCCCOC(=O)C MCULE-2778068630 [0,1,0,0,0,0|1,0,2]=4 105 B17R0.43 CCCCC=CCCCCCCCCCC(=O)O MCULE-1066074154 [0,1,0,0,0,0|0,0,2]=3 106 B17R0.43 CCCCC=CCCCCCCCCOC(=O)C MCULE-7849945627 [0,1,0,0,0,0|1,0,2]=4 107 B17R0.43 CCCCCC/C=C/CCCCCCCC(=O)O MCULE-7392284639 [0,1,0,0,0,0|0,0,2]=3 108 B17R0.43 CCCCCCC=CCCCCCCCC(=O)Cl MCULE-6281700163 [0,1,0,0,0,0|0,0,2]=3 109 B17R0.43 CCCCCCC=CCCCCCCCC(=O)N MCULE-8315425906 [0,1,0,0,0,0|0,0,2]=3 110 B17R0.43 CCCCCCC=CCCCCCCCC(=O)O MCULE-1221038996 [0,1,0,0,0,0|0,0,2]=3 111 B17R0.43 CCCCCCC=CCCCCCCCC(=O)[O-] MCULE-3270578280 [0,1,0,0,0,0|0,0,2]=3 112 B17R0.43 CCCCCCCCC/C=C\CCCCC(=O)O MCULE-5806437824 [0,1,0,0,0,0|0,0,2]=3 113 B17R0.43 CCCCCCCCC/C=C\CCCCC(=O)[O-] MCULE-6515937092 [0,1,0,0,0,0|0,0,2]=3 114 B17R0.43 CCCCCCCCC=CCCCCCC(=O)O MCULE-9907029105 [0,1,0,0,0,0|0,0,2]=3 115 B17R0.43 CCCCCCCCCC=CCCCCC(=O)O MCULE-6678867297 [0,1,0,0,0,0|0,0,2]=3 116 B17R0.43 CCCCCCCCCC=CCCCCC(=O)[O-] MCULE-8329798146 [0,1,0,0,0,0|0,0,2]=3 117 B17R0.43 CCCCCCCCCCCCC/C=C/C(=O)O MCULE-9949483894 [0,1,0,0,0,0|0,0,2]=3 118 B17R0.43 CCCCCCCCCCCCC=CCC(=O)O MCULE-7063165347 [0,1,0,0,0,0|0,0,2]=3 119 B17R0.43 CCCCCCCCCCCCCC=CC(=O)O MCULE-1309002877 [0,1,0,0,0,0|0,0,2]=3 120 B17R0.43 CCCCCCCCCCCCCCCC(=O)C MCULE-2820432182 [0,1,0,0,0,0|0,0,0]=1 121 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl MCULE-2299274236 [0,1,0,0,0,0|0,0,0]=1 122 B17R0.43 CCCCCCCCCCCCCCCC(=O)N MCULE-9133427571 [0,1,0,0,0,0|0,0,0]=1 123 B17R0.43 CCCCCCCCCCCCCCCC(=O)O MCULE-1361949901 [0,1,0,0,0,0|0,0,0]=1 124 B17R0.43 CCCCCCCCCCCCCCCC(=O)S MCULE-8215136457 [0,1,0,0,0,0|0,0,0]=1 125 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-2906724981 [0,1,0,0,0,0|0,0,0]=1 126 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-3645136442 [0,1,0,0,0,0|0,0,0]=1 127 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-9097304670 [0,1,0,0,0,0|0,0,0]=1 128 B17R0.43 CCCCCCCCCCCCCCCC(C)O MCULE-4314680622 [0,1,0,0,0,0|0,0,2]=3 129 B17R0.43 CCCCCCCCCCCCCCCN(C)C MCULE-9254230166 [0,1,0,0,0,0|2,0,0]=3 130 B17R0.43 CCCCCCCCCCCCCCOC(=O)C MCULE-9791397433 [0,1,0,0,0,0|1,0,0]=2 131 B17R0.43 CCCCCCCCCCCCNCCC(=O)O MCULE-6849446767 [0,1,0,0,0,0|1,0,0]=2 132 B17R0.43 CCCCCCCCCCCCSCCC(=O)N MCULE-2326780267 [0,1,0,0,0,0|1,0,0]=2 133 B17R0.43 CCCCCCCCCCCCSCCC(=O)O MCULE-1413456430 [0,1,0,0,0,0|1,0,0]=2 134 B17R0.43 CCCCCCCCSCCCCCCC(=O)O MCULE-3418202255 [0,1,0,0,0,0|1,0,0]=2 135 B17R0.43 NCCCCCCCCCCCCCCC(=O)O MCULE-8397983958 [0,1,0,0,0,0|1,0,0]=2 136 B17R0.43 O=C(O)CCCCCCCCCCCCCCBr MCULE-4704611362 [0,1,0,0,0,0|1,0,0]=2 137 B17R0.43 O=C(O)CCCCCCCCCCCCCCO MCULE-9603867941 [0,1,0,0,0,0|1,0,0]=2 138 B17R0.104 CCCCCCCCC(=O)CCCCCCCC MCULE-9065183097 [0,1,0,0,0,0|1,0,2]=4 139 B17R0.104 CCCCCCCCC(N)CCCCCCCC MCULE-1836259251 [0,1,0,0,0,0|1,0,1]=3 140 B17R0.104 CCCCCCCCC(O)CCCCCCCC MCULE-8047901126 [0,1,0,0,0,0|1,0,1]=3 141 B17R0.104 CCCCCCCCN(C)CCCCCCCC MCULE-2119452066 [0,1,0,0,0,0|2,0,1]=4 142 B17R0.104 CCCCCCCCS(=O)CCCCCCCC MCULE-6537929588 [0,1,0,0,0,0|2,0,1]=4 143 B17R0.104 CCCCCCCCS(=O)CCCCCCCO MCULE-6854120083 [0,1,0,0,0,0|1,0,2]=4 144 B17R0.117 BrCCCCCCCCCCCCCCCCBr MCULE-1772004339 [0,1,0,0,0,0|1,0,1]=3 145 B17R0.117 C#CCCCCCCCCCCCCCCCC MCULE-5076637744 [0,1,0,0,0,0|1,0,1]=3 146 B17R0.117 C=CCCCCCCCCCCCCCCCBr MCULE-9221401419 [0,1,0,0,0,0|1,0,0]=2 147 B17R0.117 C=CCCCCCCCCCCCCCCCC MCULE-2516709852 [0,1,0,0,0,0|1,0,0]=2 148 B17R0.117 CCCCCCCCC#CCCCCCCCC MCULE-3536284106 [0,1,0,0,0,0|1,0,2]=4 149 B17R0.117 CCCCCCCCC=CCCCCCCCC MCULE-6516744308 [0,1,0,0,0,0|1,0,2]=4 150 B17R0.117 CCCCCCCCCCCCCCCCC#N MCULE-6977232864 [0,1,0,0,0,0|1,0,1]=3 151 B17R0.117 CCCCCCCCCCCCCCCCC=O MCULE-7209784895 [0,1,0,0,0,0|0,0,0]=1 152 B17R0.117 CCCCCCCCCCCCCCCCCBr MCULE-6281216518 [0,1,0,0,0,0|1,0,1]=3 153 B17R0.117 CCCCCCCCCCCCCCCCCC MCULE-2392852814 [0,1,0,0,0,0|1,0,1]=3 154 B17R0.117 CCCCCCCCCCCCCCCCCN MCULE-2249148626 [0,1,0,0,0,0|1,0,1]=3 155 B17R0.117 CCCCCCCCCCCCCCCCCO MCULE-5595057947 [0,1,0,0,0,0|0,0,2]=3 156 B17R0.117 CCCCCCCCCCCCCCCCNC MCULE-1285251874 [0,1,0,0,0,0|1,0,1]=3 157 B17R0.117 CCCCCCCCCCCCCCNCCO MCULE-9295121461 [0,1,0,0,0,0|0,0,2]=3 158 B17R0.117 CCCCCCCCCCCCCCOCCO MCULE-7801199331 [0,1,0,0,0,0|0,0,2]=3 159 B17R0.117 CCCCCCCCCCCCCOCCCO MCULE-3687360805 [0,1,0,0,0,0|0,0,2]=3 160 B17R0.117 CCCCCCCCCCCCCOCCCO MCULE-8888652835 [0,1,0,0,0,0|0,0,2]=3 161 B17R0.117 CCCCCCCCSSCCCCCCCC MCULE-1412413897 [0,1,0,0,0,0|2,0,1]=4 162 B17R0.117 CCCCCCCNCCNCCCCCCC MCULE-1814954032 [0,1,0,0,0,0|2,0,1]=4 163 B17R0.117 CCCCCCCNCCOCCCCCCC MCULE-7773202452 [0,1,0,0,0,0|2,0,1]=4 164 B17R0.117 CCCCCCCSCCSCCCCCCC MCULE-5166739640 [0,1,0,0,0,0|2,0,1]=4 165 B17R0.117 CCCCCSCCCCCCSCCCCC MCULE-2112540306 [0,1,0,0,0,0|2,0,1]=4 166 B17R0.117 N#N=NCCCCCCCCCCCCCCN MCULE-4431322471 [0,1,0,0,0,0|3,0,0]=4 167 B17R0.117 N#N=NCCCCCCCCCCCCCCN MCULE-5052318418 [0,1,0,0,0,0|3,0,0]=4 168 B17R0.117 NCCCCCCCCCCCCCCCCN MCULE-4384458307 [0,1,0,0,0,0|1,0,1]=3 169 B17R0.117 OCCCCCCCCCCCCCCCCBr MCULE-1022662758 [0,1,0,0,0,0|0,0,2]=3 170 B17R0.117 OCCCCCCCCCCCCCCCCO MCULE-4723598157 [0,1,0,0,0,0|0,0,2]=3 171 B17R0.117 OCCCCCCCCCCCCCCCCS MCULE-2183879155 [0,1,0,0,0,0|0,0,2]=3 172 B17R0.117 SCCCCCCCCCCCCCCCCS MCULE-1100070319 [0,1,0,0,0,0|0,1,1]=3 173 B17R0.195 CCCCCCCCCCCCCCC(=NO)C MCULE-2159182766 [0,1,0,0,0,0|1,0,2]=4 174 B17R0.195 CCCCCCCCCCCCCCC(=O)CBr MCULE-8800475521 [0,1,0,0,0,0|1,0,2]=4 175 B17R0.195 CCCCCCCCCCCCCCC(=O)OC MCULE-6875676125 [0,1,0,0,0,0|2,0,1]=4 176 B17R0.195 CCCCCCCCCCCCCCC(Br)CBr MCULE-8539019349 [0,1,0,0,0,0|1,0,1]=3 177 B17R0.195 CCCCCCCCCCCCCCC(C)CBr MCULE-4513816631 [0,1,0,0,0,0|1,0,1]=3 178 B17R0.195 CCCCCCCCCCCCCCC(Cl)CCl MCULE-1931696042 [0,1,0,0,0,0|1,0,1]=3 179 B17R0.195 CCCCCCCCCCCCCCC(N)CO MCULE-1144393791 [0,1,0,0,0,0|0,0,2]=3 180 B17R0.195 CCCCCCCCCCCCCCC(N)CO MCULE-5825082970 [0,1,0,0,0,0|0,0,2]=3 181 B17R0.195 CCCCCCCCCCCCCCC(O)CN MCULE-9897370432 [0,1,0,0,0,0|1,0,1]=3 182 B17R0.195 CCCCCCCCCCCCCCC(O)CO MCULE-2636575508 [0,1,0,0,0,0|0,0,2]=3 183 B17R0.195 CCCCCCCCCCCCCC[C@@H](O)CO MCULE-3808241334 [0,1,0,0,0,0|0,0,2]=3 184 B17R0.195 CCCCCCCCCCCCCC[C@H](O)CO MCULE-8633813799 [0,1,0,0,0,0|0,0,2]=3 185 B17R0.195 CCCCCCCCCCCCOCC(O)CO MCULE-5273465880 [0,1,0,0,0,0|1,0,2]=4 186 B17R0.196 CCCCCCCCCCCCS(=O)CCCC MCULE-8574032886 [0,1,0,0,0,0|2,0,1]=4 187 B17R0.250 C=COC(=O)CCCCCCCCCCCCC MCULE-1838888228 [0,1,0,0,0,0|2,0,1]=4 188 B17R0.250 CCCCCCCCCCCCCC(=O)CCC MCULE-6440839574 [0,1,0,0,0,0|1,0,2]=4 189 B17R0.3110 CCCCCCCCCCCC(=O)CCCCC MCULE-9985880273 [0,1,0,0,0,0|1,0,2]=4 190 B17R0.8809 CCCCCCCCCC(=O)CCCCCCC MCULE-6175563630 [0,1,0,0,0,0|1,0,2]=4 191 B17R0.12412 CCCCCCCCCCC(=O)CCCCCC MCULE-4186355761 [0,1,0,0,0,0|1,0,2]=4 192 B17R1.444 O=C1CCCCCCCCCCCCCC1O MCULE-8613374918 [0,0,0,1,0,0|1,0,0]=2 193 B17R1.1045 N#CCCC1CCCCCCCCCCC1=O MCULE-8167652433 [0,0,0,1,0,0|1,0,1]=3 194 B17R1.1045 N#CCCC1CCCCCCCCCCC1O MCULE-9841326714 [0,0,0,1,0,0|2,0,1]=4 195 B17R1.1242 CCCCCCCCCCCC1CCCCC1 MCULE-3267313728 [0,0,0,1,0,0|1,0,1]=3 196 B17R1.1242 CCCCCCCCCCCN1CCCCC1 MCULE-1676521609 [0,0,0,1,0,0|2,0,1]=4 197 B17R1.1242 CCCCCCCCCCNC1CCCCC1 MCULE-5211104073 [0,0,0,1,0,0|2,0,1]=4 198 B17R1.1242 [NH+]1(CCCCC1)CCCCCCCCCCC MCULE-1467947982 [0,0,0,1,0,0|2,0,1]=4 199 B17R1.1425 CCCCCCCCCCCCN1CCCC1 MCULE-2057976146 [0,0,0,1,0,0|2,0,1]=4 200 B17R1.1425 [NH+]1(CCCC1)CCCCCCCCCCCC MCULE-1535657052 [0,0,0,1,0,0|2,0,1]=4 201 B17R1.5249 CCCCCCCCCCCCC1CCC1=O MCULE-7126495482 [0,0,0,1,0,0|0,0,0]=1 202 B17R1.11298 O=C1CCCC=CCCCCCCCCCC1 MCULE-1430680475 [0,0,0,1,0,0|0,0,2]=3 203 B17R1.11298 O=C1CCCC=CCCCCCCCCCC1 MCULE-8227436556 [0,0,0,1,0,0|0,0,2]=3 204 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 MCULE-2237516421 [0,0,0,1,0,0|1,0,0]=2 205 B17R1.27002 ON=C1CCCCCCCCCCCCCC1 MCULE-3556616768 [0,0,0,1,0,0|1,0,2]=4 206 B17R1.29093 CCCCCCCCCCCCCCC1CO1 MCULE-4791898371 [0,0,0,1,0,0|0,0,2]=3 207 B17R1.29093 CCCCCCCCCCCCOCC1CO1 MCULE-5256966261 [0,0,0,1,0,0|1,0,2]=4 208 B14R0.392 C#CCCCCCCCCCCCCC MCULE-5224279000 [2,0,0,0,0,0|0,0,2]=4 209 B14R0.392 C=CCCCCCCCCCCCCBr MCULE-4861537594 [2,0,0,0,0,0|1,0,1]=4 210 B14R0.392 C=CCCCCCCCCCCCCC MCULE-8648825393 [2,0,0,0,0,0|0,0,1]=3 211 B14R0.392 C=CCCCCCCCCCCCCO MCULE-4486162306 [2,0,0,0,0,0|1,0,1]=4 212 B14R0.392 C=COCCCCCCCCCCCC MCULE-1459857080 [2,0,0,0,0,0|1,0,1]=4 213 B14R0.392 CC/C=C/CCCCCCCCCC=O MCULE-2385351310 [2,0,0,0,0,0|0,0,2]=4 214 B14R0.392 CCC=CCCCCCCCCCC=O MCULE-2282950568 [2,0,0,0,0,0|0,0,2]=4 215 B14R0.392 CCCCCCC=CCCCCCC=O MCULE-7363296204 [2,0,0,0,0,0|0,0,2]=4 216 B14R0.392 CCCCCCCCCCCCCC#N MCULE-7152326235 [2,0,0,0,0,0|1,0,1]=4 217 B14R0.392 CCCCCCCCCCCCCC=O MCULE-7550121675 [2,0,0,0,0,0|0,0,0]=2 218 B14R0.392 CCCCCCCCCCCCCCBr MCULE-9737491714 [2,0,0,0,0,0|1,0,0]=3 219 B14R0.392 CCCCCCCCCCCCCCC MCULE-1292711626 [2,0,0,0,0,0|0,0,0]=2 220 B14R0.392 CCCCCCCCCCCCCCCl MCULE-4738230795 [2,0,0,0,0,0|1,0,0]=3 221 B14R0.392 CCCCCCCCCCCCCCF MCULE-9767518415 [2,0,0,0,0,0|1,0,0]=3 222 B14R0.392 CCCCCCCCCCCCCCN MCULE-8592595177 [2,0,0,0,0,0|1,0,0]=3 223 B14R0.392 CCCCCCCCCCCCCCO MCULE-8719320111 [2,0,0,0,0,0|0,0,1]=3 224 B14R0.392 CCCCCCCCCCCCCCS MCULE-5679876747 [2,0,0,0,0,0|0,1,0]=3 225 B14R0.392 CCCCCCCCCCCCC[NH2+]C MCULE-4777104073 [2,0,0,0,0,0|1,0,0]=3 226 B14R0.392 CCCCCCCCCCCCC[NH2+]C MCULE-6540647325 [2,0,0,0,0,0|1,0,0]=3 227 B14R0.392 CCCCCCCCCCCCN=C=O MCULE-6525738732 [2,0,0,0,0,0|1,0,1]=4 228 B14R0.392 CCCCCCCCCCCCNC=O MCULE-2685945212 [2,0,0,0,0,0|1,0,0]=3 229 B14R0.392 CCCCCCCCCCCCNCC MCULE-6669418249 [2,0,0,0,0,0|1,0,0]=3 230 B14R0.392 CCCCCCCCCCCCOC=O MCULE-6493174878 [2,0,0,0,0,0|1,0,0]=3 231 B14R0.392 CCCCCCCCCCCCSCC MCULE-3847929623 [2,0,0,0,0,0|1,0,0]=3 232 B14R0.392 CCCCCCCCCCCNCCC MCULE-2740020624 [2,0,0,0,0,0|1,0,0]=3 233 B14R0.392 CCCCCCCCCCCOCCO MCULE-9070806750 [2,0,0,0,0,0|1,0,1]=4 234 B14R0.392 CCCCCCCCCCOCCCN MCULE-5521116196 [2,0,0,0,0,0|2,0,0]=4 235 B14R0.392 CCCCCCCCCCOCCC[NH3+] MCULE-4032173132 [2,0,0,0,0,0|2,0,0]=4 236 B14R0.392 CCCCCCCCCCSCCCO MCULE-8768496784 [2,0,0,0,0,0|1,0,1]=4 237 B14R0.392 CCCCCCCCCNCCCCC MCULE-6073560034 [2,0,0,0,0,0|1,0,0]=3 238 B14R0.392 CCCCCCCCC[NH2+]CCCCC MCULE-8442579178 [2,0,0,0,0,0|1,0,0]=3 239 B14R0.392 CCCCCCCCNCCCCCC MCULE-1148069991 [2,0,0,0,0,0|1,0,0]=3 240 B14R0.392 CCCCCCCNCCCCCCC MCULE-8281252980 [2,0,0,0,0,0|1,0,0]=3 241 B14R0.392 CCCCCCCOCCCCCCC MCULE-7411737646 [2,0,0,0,0,0|1,0,0]=3 242 B14R0.392 CCCCCCCSCCCCCCC MCULE-8546717040 [2,0,0,0,0,0|1,0,0]=3 243 B14R0.392 OCCCCCCCCCCCCCBr MCULE-1397457487 [2,0,0,0,0,0|1,0,1]=4 244 B14R0.392 OCCCCCCCCCCCCCO MCULE-9763203178 [2,0,0,0,0,0|1,0,1]=4 245 B14R0.392 [NH2+](CC)CCCCCCCCCCCC MCULE-2677553062 [2,0,0,0,0,0|1,0,0]=3 246 B14R0.392 [NH2+](CCC)CCCCCCCCCCC MCULE-1566613456 [2,0,0,0,0,0|1,0,0]=3 247 B16R0.61 C=CCC(C)CCCCCCCCCCCC MCULE-1583125717 [1,1,0,0,0,0|0,0,1]=3 248 B16R0.61 CCCCCCCCCCCCC(=O)CCC MCULE-4895448580 [1,1,0,0,0,0|0,0,2]=4 249 B16R0.61 CCCCCCCCCCCCC(O)CCC MCULE-2703285953 [1,1,0,0,0,0|0,0,1]=3 250 B16R0.61 CCCCCCCCCCCCC(O)CCO MCULE-9666170119 [1,1,0,0,0,0|0,0,1]=3 251 B16R0.68 CCCCCCCCCCC(=O)CCCCC MCULE-2586042013 [1,1,0,0,0,0|0,0,2]=4 252 B16R0.136 CCCCCCCCC(O)CCCCCCC MCULE-4042759886 [1,1,0,0,0,0|0,0,1]=3 253 B16R0.221 CCCCCCCCCCCCCC(=O)CC MCULE-9117802063 [1,1,0,0,0,0|0,0,2]=4 254 B16R0.221 CCCCCCCCCCCCCC(N)CO MCULE-6569333741 [1,1,0,0,0,0|0,0,1]=3 255 B16R0.221 CCCCCCCCCCCCCC(N)CO MCULE-9950796518 [1,1,0,0,0,0|0,0,1]=3 256 B16R0.221 CCCCCCCCCCCCCC(O)CC MCULE-3941630395 [1,1,0,0,0,0|0,0,1]=3 257 B16R0.274 C=CCCCCCCCCCCCCC(=O)O MCULE-1403801057 [1,1,0,0,0,0|0,0,2]=4 258 B16R0.274 CCCCC=CCCCCCCCCC(=O)O MCULE-4211765208 [1,1,0,0,0,0|0,0,2]=4 259 B16R0.274 CCCCCCCCCCCCCCB(O)O MCULE-3614309342 [1,1,0,0,0,0|1,0,1]=4 260 B16R0.274 CCCCCCCCCCCCCCC(=O)C MCULE-2580004145 [1,1,0,0,0,0|0,0,0]=2 261 B16R0.274 CCCCCCCCCCCCCCC(=O)Cl MCULE-8745106680 [1,1,0,0,0,0|0,0,0]=2 262 B16R0.274 CCCCCCCCCCCCCCC(=O)N MCULE-6897989236 [1,1,0,0,0,0|0,0,0]=2 263 B16R0.274 CCCCCCCCCCCCCCC(=O)O MCULE-3630464562 [1,1,0,0,0,0|0,0,0]=2 264 B16R0.274 CCCCCCCCCCCCCCC(C)O MCULE-8477286739 [1,1,0,0,0,0|0,0,1]=3 265 B16R0.274 CCCCCCCCCCCCCCN(=O)=O MCULE-8122338188 [1,1,0,0,0,0|1,0,0]=3 266 B16R0.274 CCCCCCCCCCCCCCN(C)C MCULE-1169700979 [1,1,0,0,0,0|1,0,1]=4 267 B16R0.274 CCCCCCCCCCCCCOC(=O)C MCULE-3462383419 [1,1,0,0,0,0|1,0,0]=3 268 B16R0.274 CCCCCCCCCCCCNCC(=O)O MCULE-7069020402 [1,1,0,0,0,0|1,0,0]=3 269 B16R0.274 CCCCCCCCCCCCOCC(=O)O MCULE-5186628423 [1,1,0,0,0,0|1,0,0]=3 270 B16R0.274 CCCCCCCCCCCCSCC(=O)O MCULE-8937853494 [1,1,0,0,0,0|1,0,0]=3 271 B16R0.274 CCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2182837845 [1,1,0,0,0,0|1,0,0]=3 272 B16R0.274 CCCCCCCCCCNCCCC(=O)O MCULE-2947320698 [1,1,0,0,0,0|1,0,0]=3 273 B16R0.274 CCCCCCCCCCNCCCC(=O)O MCULE-5076653771 [1,1,0,0,0,0|1,0,0]=3 274 B16R0.274 NCCCCCCCCCCCCCC(=O)O MCULE-6805237317 [1,1,0,0,0,0|1,0,0]=3 275 B16R0.274 O=C(O)CCCCCCCCCCCCCBr MCULE-6321854023 [1,1,0,0,0,0|1,0,0]=3 276 B16R0.274 O=C(O)CCCCCCCCCCCCCO MCULE-2388869238 [1,1,0,0,0,0|1,0,0]=3 277 B16R0.274 O=C(O)CCCCCCCCCCCCCS MCULE-3340350604 [1,1,0,0,0,0|1,0,0]=3 278 B16R0.661 CCCCCCCCCCCC(O)CCCC MCULE-2652447421 [1,1,0,0,0,0|0,0,1]=3 279 B16R0.661 CCCCCCCCCCC[NH+](C)CCCO MCULE-7858117314 [1,1,0,0,0,0|1,0,1]=4 280 B16R0.661 CCCCCCCCCCC[NH+](C)CCCO MCULE-9070141209 [1,1,0,0,0,0|1,0,1]=4 281 B16R0.6603 CCCCCCCCCC(=O)CCCCCC MCULE-1196704551 [1,1,0,0,0,0|0,0,2]=4 282 B18R0.2 C#CCC[C@@H](O)CCCCCCCCCCC(=O)O MCULE-9936742038 [0,2,0,0,0,0|0,0,2]=4 283 B18R0.2 CCCCC(=O)CCCCCCCCCCC(=O)O MCULE-5402764711 [0,2,0,0,0,0|0,0,1]=3 284 B18R0.2 CCCCC(O)CCCCCCCCCCC(=O)O MCULE-4787616333 [0,2,0,0,0,0|0,0,0]=2 285 B18R0.94 CCCCCCCCC(=O)CCCCCCC(=O)O MCULE-4094625577 [0,2,0,0,0,0|0,0,1]=3 286 B18R0.94 CCCCCCCCC(=O)NCCCCCC(=O)O MCULE-9192966196 [0,2,0,0,0,0|1,0,1]=4 287 B18R0.94 CCCCCCCCC(O)CCCCCCC(=O)O MCULE-2101826940 [0,2,0,0,0,0|0,0,0]=2 288 B18R0.114 CCC(=O)CCCCCCCCCCCCC(=O)O MCULE-9117657777 [0,2,0,0,0,0|0,0,1]=3 289 B18R0.114 CCC(C)CCCCCCCCCCCCC(=O)O MCULE-8200495932 [0,2,0,0,0,0|0,0,0]=2 290 B18R0.114 CCC(O)CCCCCCCCCCCCC(=O)O MCULE-4792995027 [0,2,0,0,0,0|0,0,0]=2 291 B18R0.114 COC(=O)CCCCCCCCCCCCC(=O)O MCULE-5601908216 [0,2,0,0,0,0|1,0,1]=4 292 B18R0.127 CCCCCCC(=O)CCCCCCCCC(=O)O MCULE-2041137649 [0,2,0,0,0,0|0,0,1]=3 293 B18R0.127 CCCCCCC(O)CCCCCCCCC(=O)O MCULE-1427500455 [0,2,0,0,0,0|0,0,0]=2 294 B18R0.171 C=CC(=O)OCCCCCCCCCCCCCC MCULE-8432213938 [0,2,0,0,0,0|1,0,0]=3 295 B18R0.171 CCCCCC/C=C/CCCCCCCC(=O)OC MCULE-3684696083 [0,2,0,0,0,0|0,0,2]=4 296 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)OC MCULE-8655264522 [0,2,0,0,0,0|0,0,2]=4 297 B18R0.171 CCCCCCC=CCCCCCCCC(=O)OC MCULE-5533097898 [0,2,0,0,0,0|0,0,2]=4 298 B18R0.171 CCCCCCCCC=CCCCCCC(=O)OC MCULE-7280995327 [0,2,0,0,0,0|0,0,2]=4 299 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC MCULE-9243465329 [0,2,0,0,0,0|0,0,0]=2 300 B18R0.171 CCCCCCCCCCCCCCCC(=O)NN MCULE-7345615974 [0,2,0,0,0,0|0,0,0]=2 301 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC MCULE-2282587787 [0,2,0,0,0,0|0,0,0]=2 302 B18R0.171 CCCCCCCCCCCCCCOC(=O)CCl MCULE-3654885097 [0,2,0,0,0,0|1,0,0]=3 303 B18R0.171 COC(=O)CCCCCCCCCCCCCCBr MCULE-4104671169 [0,2,0,0,0,0|1,0,0]=3 304 B18R0.171 COC(=O)CCCCCCCCCCCCCCO MCULE-7795037428 [0,2,0,0,0,0|1,0,0]=3 305 B18R0.171 NNC(=O)CCCCCCCCCCCCCCO MCULE-3879943616 [0,2,0,0,0,0|1,0,0]=3 306 B18R0.174 CCCCCCCCCCCCCCC(Br)C(=O)O MCULE-7613431163 [0,2,0,0,0,0|0,0,0]=2 307 B18R0.174 CCCCCCCCCCCCCCC(C)C(=O)O MCULE-9301579624 [0,2,0,0,0,0|0,0,0]=2 308 B18R0.174 CCCCCCCCCCCCCCC(Cl)C(=O)O MCULE-6086981032 [0,2,0,0,0,0|0,0,0]=2 309 B18R0.174 CCCCCCCCCCCCCCC(F)C(=O)O MCULE-4249541245 [0,2,0,0,0,0|0,0,0]=2 310 B18R0.174 CCCCCCCCCCCCCCC(N)C(=O)O MCULE-9580133307 [0,2,0,0,0,0|0,0,0]=2 311 B18R0.174 CCCCCCCCCCCCCCC(O)C(=O)O MCULE-6572346778 [0,2,0,0,0,0|0,0,0]=2 312 B18R0.176 C=C(C)CCCCCCCCCCCCCCCC MCULE-1892085325 [0,2,0,0,0,0|1,0,0]=3 313 B18R0.176 C=CCCCCCCCCCCCCCCC(=O)O MCULE-9537148876 [0,2,0,0,0,0|0,0,1]=3 314 B18R0.176 CC(C)CCCCCCCCCCCCCCCO MCULE-6059147214 [0,2,0,0,0,0|0,0,2]=4 315 B18R0.176 CCCCCC/C=C\CCCCCCCCC(=O)O MCULE-7425245696 [0,2,0,0,0,0|0,0,1]=3 316 B18R0.176 CCCCCCC=CCCCCCCCCC(=O)O MCULE-8054022250 [0,2,0,0,0,0|0,0,1]=3 317 B18R0.176 CCCCCCCCCCCCCCCCB(O)O MCULE-2099476935 [0,2,0,0,0,0|0,0,2]=4 318 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl MCULE-4774205698 [0,2,0,0,0,0|0,0,0]=2 319 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N MCULE-8756975449 [0,2,0,0,0,0|0,0,0]=2 320 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O MCULE-9357391090 [0,2,0,0,0,0|0,0,0]=2 321 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] MCULE-4806292195 [0,2,0,0,0,0|0,0,0]=2 322 B18R0.176 CCCCCCCCCCCCCCCCN(=O)=O MCULE-7589734060 [0,2,0,0,0,0|0,0,1]=3 323 B18R0.176 CCCCCCCCCCCCCCCCN(C)C MCULE-2205932096 [0,2,0,0,0,0|1,0,1]=4 324 B18R0.176 CCCCCCCCCCCCCCCCN(C)C MCULE-5534646497 [0,2,0,0,0,0|1,0,1]=4 325 B18R0.176 CCCCCCCCCCCCCCCOC(=O)C MCULE-8455635595 [0,2,0,0,0,0|0,0,0]=2 326 B18R0.176 CCCCCCCCCCCCCCNCC(C)O MCULE-3623779879 [0,2,0,0,0,0|0,0,2]=4 327 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O MCULE-6925387619 [0,2,0,0,0,0|0,0,0]=2 328 B18R0.176 CCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2691784276 [0,2,0,0,0,0|0,0,0]=2 329 B18R0.176 CCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2883416094 [0,2,0,0,0,0|0,0,0]=2 330 B18R0.176 CCCCCCCCCCCCSCCCC(=O)N MCULE-1673663174 [0,2,0,0,0,0|0,0,0]=2 331 B18R0.176 N#N=NCCCCCCCCCCCCCC(=O)O MCULE-3818253579 [0,2,0,0,0,0|2,0,0]=4 332 B18R0.176 NCCCCCCCCCCCCCCCC(=O)O MCULE-5669844918 [0,2,0,0,0,0|0,0,0]=2 333 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr MCULE-3555817163 [0,2,0,0,0,0|0,0,0]=2 334 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO MCULE-5601308035 [0,2,0,0,0,0|0,0,0]=2 335 B18R0.176 O=C(O)CCCCCCCCCCCCCCCS MCULE-2534249442 [0,2,0,0,0,0|0,0,0]=2 336 B18R0.182 CCCCCCCCCCCCCCCS(=O)(=O)O MCULE-4345458910 [0,2,0,0,0,0|1,0,0]=3 337 B18R0.182 CCCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-7486286746 [0,2,0,0,0,0|1,0,0]=3 338 B18R0.182 CCCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-7712284852 [0,2,0,0,0,0|2,0,0]=4 339 B18R0.182 CCCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-9060828083 [0,2,0,0,0,0|2,0,0]=4 340 B18R0.220 CCCCCCCCCCCCCC(C)CC(=O)O MCULE-9201250713 [0,2,0,0,0,0|0,0,0]=2 341 B18R0.220 CCCCCCCCCCCCCC(O)CC(=O)O MCULE-1445414038 [0,2,0,0,0,0|0,0,0]=2 342 B18R0.220 CCCCCCCCCCCCNC(=O)CC(=O)C MCULE-4548996828 [0,2,0,0,0,0|1,0,1]=4 343 B18R0.220 CCCCCCCCCCCCOC(=O)CC(=O)C MCULE-8506863437 [0,2,0,0,0,0|1,0,1]=4 344 B18R0.233 CCCCCCCCCCCC(=O)CCCC(=O)O MCULE-2196708286 [0,2,0,0,0,0|0,0,1]=3 345 B18R0.233 CCCCCCCCCCCC(=O)NCCC(=O)O MCULE-6527680066 [0,2,0,0,0,0|1,0,1]=4 346 B18R0.233 CCCCCCCCCCCC(=O)NCCC(=O)[O-] MCULE-3747645937 [0,2,0,0,0,0|1,0,1]=4 347 B18R0.233 CCCCCCCCCCCC(O)CCCC(=O)O MCULE-4006524511 [0,2,0,0,0,0|0,0,0]=2 348 B18R0.233 CCCCCCCCCCNC(=O)CCCC(=O)O MCULE-4924756110 [0,2,0,0,0,0|1,0,1]=4 349 B18R0.974 CC(=O)CCCCCCCCCCCCCC(=O)O MCULE-8858221579 [0,2,0,0,0,0|0,0,1]=3 350 B18R0.974 CC(C)CCCCCCCCCCCCCC(=O)O MCULE-3535493212 [0,2,0,0,0,0|0,0,0]=2 351 B18R0.974 CC(O)CCCCCCCCCCCCCC(=O)O MCULE-7879329822 [0,2,0,0,0,0|0,0,0]=2 352 B18R0.974 O=C(O)CCCCCCCCCCCCCC(=O)O MCULE-8634297667 [0,2,0,0,0,0|1,0,1]=4 353 B18R0.3137 CCCCCC(=O)CCCCCCCCCC(=O)O MCULE-9840407759 [0,2,0,0,0,0|0,0,1]=3 354 B18R0.3137 CCCCCC(O)CCCCCCCCCC(=O)O MCULE-6108684848 [0,2,0,0,0,0|0,0,0]=2 355 B18R0.7250 CCCCCCCC(O)CCCCCCCC(=O)O MCULE-8074086209 [0,2,0,0,0,0|0,0,0]=2 356 B18R0.11628 CCCCCCCCCC(=O)CCCCCC(=O)O MCULE-5972830914 [0,2,0,0,0,0|0,0,1]=3 357 B18R0.11628 CCCCCCCCCC(=O)NCCCCC(=O)O MCULE-3993965301 [0,2,0,0,0,0|1,0,1]=4 358 B18R0.11628 CCCCCCCCCC(O)CCCCCC(=O)O MCULE-3341656452 [0,2,0,0,0,0|0,0,0]=2 359 B18R0.17430 CCCCCCCCCCC(=O)CCCCC(=O)O MCULE-9081502044 [0,2,0,0,0,0|0,0,1]=3 360 B18R0.17430 CCCCCCCCCCC(O)CCCCC(=O)O MCULE-4244489011 [0,2,0,0,0,0|0,0,0]=2 361 B18R0.19183 CCCCCCCCCCCCC(=O)CCC(=O)O MCULE-1164053278 [0,2,0,0,0,0|0,0,1]=3 362 B18R0.19183 CCCCCCCCCCCCC(O)CCC(=O)O MCULE-1162659693 [0,2,0,0,0,0|0,0,0]=2 363 B18R0.19183 CCCCCCCCCCCCS(=O)CCC(=O)O MCULE-9382415406 [0,2,0,0,0,0|1,0,0]=3 364 B18R0.19354 CCCC(=O)CCCCCCCCCCCC(=O)O MCULE-9036223737 [0,2,0,0,0,0|0,0,1]=3 365 B18R0.19354 CCCC(O)CCCCCCCCCCCC(=O)O MCULE-1240513762 [0,2,0,0,0,0|0,0,0]=2 366 B18R0.19354 CCOC(=O)CCCCCCCCCCCC(=O)O MCULE-9620750911 [0,2,0,0,0,0|1,0,1]=4 367 B18R0.11013 CCCCCCCCC(CN)CCCCCCCC MCULE-8776467217 [0,2,0,0,0,0|1,0,1]=4 368 B18R0.11013 CCCCCCCCC(CO)CCCCCCCC MCULE-8681739737 [0,2,0,0,0,0|1,0,1]=4 369 B18R0.11621 CCCCCCCCCC(O)CCCCCCCC MCULE-3839358113 [0,2,0,0,0,0|1,0,1]=4 370 B18R0.110 CCCCCCCCCCCCCCC(O)CCO MCULE-1422813299 [0,2,0,0,0,0|0,0,2]=4 371 B18R0.221 C#CSCCCCCCCCCCCCCCCC MCULE-9204018409 [0,2,0,0,0,0|0,1,1]=4 372 B18R0.221 C=CCCCCCCCCCCCCCCCCBr MCULE-5254809366 [0,2,0,0,0,0|1,0,0]=3 373 B18R0.221 C=CCCCCCCCCCCCCCCCCC MCULE-9065008280 [0,2,0,0,0,0|1,0,0]=3 374 B18R0.221 C=COCCCCCCCCCCCCCCCC MCULE-8067527635 [0,2,0,0,0,0|1,0,0]=3 375 B18R0.221 CCCCC/C=C\C/C=C\CCCCCCCC=O MCULE-4225998454 [0,2,0,0,0,0|0,0,2]=4 376 B18R0.221 CCCCCC=CCC=CCCCCCCCC=O MCULE-8122185913 [0,2,0,0,0,0|0,0,2]=4 377 B18R0.221 CCCCCCCC/C=C\CCCCCCCC=O MCULE-3882347276 [0,2,0,0,0,0|0,0,0]=2 378 B18R0.221 CCCCCCCC/C=C\CCCCCCCCBr MCULE-7059336133 [0,2,0,0,0,0|1,0,1]=4 379 B18R0.221 CCCCCCCC/C=C\CCCCCCCCN MCULE-9776233855 [0,2,0,0,0,0|1,0,1]=4 380 B18R0.221 CCCCCCCC/C=C\CCCCCCCCO MCULE-1321155051 [0,2,0,0,0,0|0,0,2]=4 381 B18R0.221 CCCCCCCCC=CCCCCCCCC=O MCULE-6432973422 [0,2,0,0,0,0|0,0,0]=2 382 B18R0.221 CCCCCCCCC=CCCCCCCCCBr MCULE-1599413369 [0,2,0,0,0,0|1,0,1]=4 383 B18R0.221 CCCCCCCCC=CCCCCCCCCCl MCULE-3153595635 [0,2,0,0,0,0|1,0,1]=4 384 B18R0.221 CCCCCCCCC=CCCCCCCCCN MCULE-8937925903 [0,2,0,0,0,0|1,0,1]=4 385 B18R0.221 CCCCCCCCC=CCCCCCCCCO MCULE-7776107404 [0,2,0,0,0,0|0,0,2]=4 386 B18R0.221 CCCCCCCCCCCC=CCCCCCO MCULE-1709012868 [0,2,0,0,0,0|0,0,2]=4 387 B18R0.221 CCCCCCCCCCCCCCCC#CCO MCULE-9312932131 [0,2,0,0,0,0|0,0,2]=4 388 B18R0.221 CCCCCCCCCCCCCCCCC#CBr MCULE-3304703107 [0,2,0,0,0,0|1,0,1]=4 389 B18R0.221 CCCCCCCCCCCCCCCCCC#N MCULE-4866596225 [0,2,0,0,0,0|1,0,1]=4 390 B18R0.221 CCCCCCCCCCCCCCCCCC=O MCULE-6723633168 [0,2,0,0,0,0|0,0,0]=2 391 B18R0.221 CCCCCCCCCCCCCCCCCCBr MCULE-1698743735 [0,2,0,0,0,0|1,0,1]=4 392 B18R0.221 CCCCCCCCCCCCCCCCCCC MCULE-7331201096 [0,2,0,0,0,0|1,0,1]=4 393 B18R0.221 CCCCCCCCCCCCCCCCCCCl MCULE-7660459113 [0,2,0,0,0,0|1,0,1]=4 394 B18R0.221 CCCCCCCCCCCCCCCCCCI MCULE-7219587354 [0,2,0,0,0,0|1,0,1]=4 395 B18R0.221 CCCCCCCCCCCCCCCCCCN MCULE-1071635443 [0,2,0,0,0,0|1,0,1]=4 396 B18R0.221 CCCCCCCCCCCCCCCCCCN MCULE-4763148758 [0,2,0,0,0,0|1,0,1]=4 397 B18R0.221 CCCCCCCCCCCCCCCCCCN MCULE-6780490435 [0,2,0,0,0,0|1,0,1]=4 398 B18R0.221 CCCCCCCCCCCCCCCCCCO MCULE-4390437415 [0,2,0,0,0,0|0,0,2]=4 399 B18R0.221 CCCCCCCCCCCCCCCCCCS MCULE-1398131164 [0,2,0,0,0,0|0,1,1]=4 400 B18R0.221 CCCCCCCCCCCCCCCCN=C=O MCULE-7368492153 [0,2,0,0,0,0|0,0,1]=3 401 B18R0.221 CCCCCCCCCCCCCCCCN=C=S MCULE-3959359359 [0,2,0,0,0,0|0,1,1]=4 402 B18R0.221 CCCCCCCCCCCCCCCCN=N#N MCULE-4281150534 [0,2,0,0,0,0|1,0,1]=4 403 B18R0.221 CCCCCCCCCCCCCCCCSCC MCULE-6430570072 [0,2,0,0,0,0|0,1,1]=4 404 B18R0.221 CCCCCCCCCCCCCCNCCCO MCULE-5168079887 [0,2,0,0,0,0|0,0,2]=4 405 B18R0.221 CCCCCCCCCCCCCC[NH2+]CCCC MCULE-2480939287 [0,2,0,0,0,0|1,0,1]=4 406 B18R0.221 CCCCCCCCCCCCCC[NH2+]CCCC MCULE-5858293059 [0,2,0,0,0,0|1,0,1]=4 407 B18R0.221 CCCCCCCCCCCCOCCOCCCl MCULE-7980447084 [0,2,0,0,0,0|1,0,1]=4 408 B18R0.221 CCCCCCCCCCCCOCCOCCO MCULE-7043512916 [0,2,0,0,0,0|0,0,2]=4 409 B18R0.221 CCCCCCCCCCCCSCCOCCO MCULE-5914963385 [0,2,0,0,0,0|0,0,2]=4 410 B18R0.221 CCCCCCCCCNCCCCCCCCC MCULE-2182455098 [0,2,0,0,0,0|1,0,1]=4 411 B18R0.221 CCCCCCCCCNCCCCCCCCC MCULE-2737303457 [0,2,0,0,0,0|1,0,1]=4 412 B18R0.221 CCCCCCCCCSCCCCCCCCC MCULE-4540816041 [0,2,0,0,0,0|1,0,1]=4 413 B18R0.221 CCCCCCCSCCCSCCCCCCC MCULE-9517341346 [0,2,0,0,0,0|1,0,1]=4 414 B18R0.221 OCCCCCCCCCCCCCCCCCO MCULE-8245676043 [0,2,0,0,0,0|0,0,2]=4 415 B18R0.3155 C=CCCCCCCCCCCC[C@@H](C)CCCC MCULE-5868919082 [0,2,0,0,0,0|1,0,0]=3 416 B18R0.189 CCCCCCCCCCCCCC(O)C(N)CO MCULE-8867265089 [0,2,0,0,0,0|0,0,2]=4 417 B18R0.10067 CCCCC(O)CCCCCCCC(O)CCCC MCULE-8898471533 [0,2,0,0,0,0|1,0,1]=4 418 B18R0.17064 CCCCCCCCCC(CBr)CCCCCCC MCULE-1805851604 [0,2,0,0,0,0|1,0,1]=4 419 B16R1.402 CC1CCCCCCCCCCCOC1=O MCULE-1334028238 [1,0,0,1,0,0|1,0,0]=3 420 B16R1.402 C[C@H]1CCCCCCCCCCCOC1=O MCULE-7240766244 [1,0,0,1,0,0|1,0,0]=3 421 B16R1.643 CCCCCCCCCCC1CCCCC1 MCULE-8880875536 [1,0,0,1,0,0|0,0,1]=3 422 B16R1.643 CCCCCCCCCCN1CCCCC1 MCULE-7446476312 [1,0,0,1,0,0|1,0,1]=4 423 B16R1.1193 CCCCCCCCCCCN1CCCC1 MCULE-8809793328 [1,0,0,1,0,0|1,0,1]=4 424 B16R1.1193 [NH+]1(CCCC1)CCCCCCCCCCC MCULE-9164269947 [1,0,0,1,0,0|1,0,1]=4 425 B16R1.7352 NCCNC1CCCCCCCCCCC1 MCULE-7349153114 [1,0,0,1,0,0|2,0,0]=4 426 B16R1.7352 NCCNC1CCCCCCCCCCC1 MCULE-9317923811 [1,0,0,1,0,0|2,0,0]=4 427 B16R1.8816 O=C1CCCCCCCCCCCCCC1 MCULE-7713299679 [1,0,0,1,0,0|0,0,0]=2 428 B16R1.8816 O=C1CCCCCCCCCCOCCO1 MCULE-5709281545 [1,0,0,1,0,0|2,0,0]=4 429 B16R1.8816 OC1CCCCCCCCCCCCCC1 MCULE-1220726144 [1,0,0,1,0,0|0,0,1]=3 430 B16R1.17455 CCCCCCCCCCCCCC1CO1 MCULE-2516429313 [1,0,0,1,0,0|0,0,1]=3 431 B16R1.17455 CCCCCCCCCCCCC[C@@H]1CO1 MCULE-5745331369 [1,0,0,1,0,0|0,0,1]=3 432 B16R1.17455 CCCCCCCCCCCOC[C@H]1CO1 MCULE-6089454831 [1,0,0,1,0,0|1,0,1]=4 433 B18R1.1108 CCCCCCCCCCCC1CCCC(=O)O1 MCULE-4181955666 [0,1,0,1,0,0|0,0,0]=2 434 B18R1.1108 CCCCCCCCCCC[C@@H]1CCCC(=O)O1 MCULE-8640131781 [0,1,0,1,0,0|0,0,0]=2 435 B18R1.1108 CCCCCCCCCCC[C@@H]1CCC[C@H](N1)C MCULE-9700304359 [0,1,0,1,0,0|1,0,1]=4 436 B18R1.1108 CCCCCCCCCCC[C@H]1CCCC(=O)O1 MCULE-6071532102 [0,1,0,1,0,0|0,0,0]=2 437 B18R1.1260 CCCCCCCCCCCCC1CCC(=O)O1 MCULE-3673972153 [0,1,0,1,0,0|0,0,0]=2 438 B18R1.13791 O=C1CCCCC=CCCCCCCCCCO1 MCULE-9481617554 [0,1,0,1,0,0|0,0,2]=4 439 B18R1.13791 O=C1CCCCCCCC=CCCCCCCO1 MCULE-4229154614 [0,1,0,1,0,0|0,0,2]=4 440 B18R1.13791 O=C1CCCCCCCCCCCCCCCO1 MCULE-4312908702 [0,1,0,1,0,0|0,0,0]=2 441 B18R1.13791 O=C1CCCCCCCCCCOCCCCO1 MCULE-7856753337 [0,1,0,1,0,0|1,0,0]=3 442 B18R1.13791 O=C1CCCCCCCCCOCCCCCO1 MCULE-8174650004 [0,1,0,1,0,0|1,0,0]=3 443 B18R1.17255 O=C(O)CCC1CCCCCCCCCCC1=O MCULE-5718207273 [0,1,0,1,0,0|1,0,1]=4 444 B18R1.20697 O=C(O)CCCCCCCCCCC1CCCO1 MCULE-1461492082 [0,1,0,1,0,0|1,0,0]=3 445 B18R1.956 N#CCCN1CCCCCCCCCCCC1=O MCULE-3227636250 [0,1,0,1,0,0|1,0,1]=4 446 B18R1.1261 CCCCCCCCCCCCC1CCCCC1 MCULE-4448428504 [0,1,0,1,0,0|1,0,1]=4 447 B18R1.1261 CCCCCCCCCCCCN1CCCCC1 MCULE-5206980916 [0,1,0,1,0,0|1,0,1]=4 448 B18R1.1261 OCCCCCCCCCCCN1CCCCC1 MCULE-5559336075 [0,1,0,1,0,0|0,0,2]=4 449 B18R1.1843 CC1CCCCCCCCCCCCCOC1=O MCULE-8629194941 [0,1,0,1,0,0|0,0,0]=2 450 B18R1.1843 O=C1CCCCCCCCCCCCCCC1O MCULE-2328305728 [0,1,0,1,0,0|0,0,0]=2 451 B18R1.13144 CCCCCCCCCCC[NH+]1CCCCCC1 MCULE-1305555028 [0,1,0,1,0,0|1,0,1]=4 452 B18R1.13144 CCCCCCCCCCC[NH+]1CCCCCC1 MCULE-5944104252 [0,1,0,1,0,0|1,0,1]=4 453 B18R1.21916 CCCCCCCCCCCCN1CCCC1=O MCULE-7658272558 [0,1,0,1,0,0|0,0,0]=2 454 B18R1.101472 O=C1CCCCCCCCCCC(=O)OCCC1 MCULE-1923893741 [0,1,0,1,0,0|1,0,1]=4 455 B18R1.101472 O=C1CCCCCCCCCCC(CCCO1)O MCULE-8958889325 [0,1,0,1,0,0|1,0,0]=3 456 B18R2.4091 O=C1CCCN1CCCNCC2CCCCC2 MCULE-6191676162 [0,0,0,2,0,0|2,0,0]=4 457 B18R2.4091 O=C1CCCN1CCCNCC2CCCCC2 MCULE-7186762961 [0,0,0,2,0,0|2,0,0]=4 458 B18R2.60804 O=C1NCCCCC1NC2CCCCCCC2 MCULE-4676529361 [0,0,0,2,0,0|2,0,0]=4