0 B15R0.164 C#CCCCCCCCCCCCC(=O)O MCULE-5832522123 [0,0,0,0,0,0|0,0,2]=2 1 B15R0.164 C=C(C)CCCCCCCCCCCCC MCULE-7613302437 [0,0,0,0,0,0|2,0,0]=2 2 B15R0.164 CC(=O)SCCCCCCCCCCCBr MCULE-7548194965 [0,0,0,0,0,0|3,0,0]=3 3 B15R0.164 CC/C=C\CCCCCCCCOC(=O)C MCULE-6483284858 [0,0,0,0,0,0|2,0,2]=4 4 B15R0.164 CCC/C=C/CCCCCCCOC(=O)C MCULE-2744234945 [0,0,0,0,0,0|2,0,2]=4 5 B15R0.164 CCC/C=C\CCCCCCCOC(=O)C MCULE-7735460500 [0,0,0,0,0,0|2,0,2]=4 6 B15R0.164 CCC=CCCCCCCCCOC(=O)C MCULE-2798849083 [0,0,0,0,0,0|2,0,2]=4 7 B15R0.164 CCCC/C=C/CCCCCCCC(=O)O MCULE-6705749045 [0,0,0,0,0,0|0,0,2]=2 8 B15R0.164 CCCC/C=C/CCCCCCOC(=O)C MCULE-2152851271 [0,0,0,0,0,0|2,0,2]=4 9 B15R0.164 CCCC/C=C\CCCCCCCC(=O)O MCULE-5504515924 [0,0,0,0,0,0|0,0,2]=2 10 B15R0.164 CCCC/C=C\CCCCCCOC(=O)C MCULE-3266505572 [0,0,0,0,0,0|2,0,2]=4 11 B15R0.164 CCCC=CCCCCCCCOC(=O)C MCULE-3017538960 [0,0,0,0,0,0|2,0,2]=4 12 B15R0.164 CCCCC=CCCCCCCCC(=O)O MCULE-5940555705 [0,0,0,0,0,0|0,0,2]=2 13 B15R0.164 CCCCC=CCCCCCCOC(=O)C MCULE-4045769000 [0,0,0,0,0,0|2,0,2]=4 14 B15R0.164 CCCCCCCCC#CCCCC(=O)O MCULE-7080925639 [0,0,0,0,0,0|0,0,2]=2 15 B15R0.164 CCCCCCCCCCCC=C[N+](=O)[O-] MCULE-5913989728 [0,0,0,0,0,0|1,0,3]=4 16 B15R0.164 CCCCCCCCCCCCCC(=O)C MCULE-8350749092 [0,0,0,0,0,0|1,0,0]=1 17 B15R0.164 CCCCCCCCCCCCCC(=O)Cl MCULE-2497488642 [0,0,0,0,0,0|1,0,0]=1 18 B15R0.164 CCCCCCCCCCCCCC(=O)N MCULE-5753717982 [0,0,0,0,0,0|1,0,0]=1 19 B15R0.164 CCCCCCCCCCCCCC(=O)O MCULE-9671122893 [0,0,0,0,0,0|0,0,0]=0 20 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] MCULE-6783279487 [0,0,0,0,0,0|0,0,1]=1 21 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] MCULE-7103790332 [0,0,0,0,0,0|0,0,1]=1 22 B15R0.164 CCCCCCCCCCCCCC(C)C MCULE-2845003178 [0,0,0,0,0,0|2,0,1]=3 23 B15R0.164 CCCCCCCCCCCCNC(=N)N MCULE-3926449131 [0,0,0,0,0,0|3,0,0]=3 24 B15R0.164 CCCCCCCCCCCCNC(=N)N MCULE-7807646855 [0,0,0,0,0,0|3,0,0]=3 25 B15R0.164 CCCCCCCCCCCCNC(=N)N MCULE-9225437546 [0,0,0,0,0,0|3,0,0]=3 26 B15R0.164 CCCCCCCCCCCCNC(=O)C MCULE-9415436236 [0,0,0,0,0,0|2,0,0]=2 27 B15R0.164 CCCCCCCCCCCCNC(=O)N MCULE-2832774647 [0,0,0,0,0,0|2,0,0]=2 28 B15R0.164 CCCCCCCCCCCCOC(=O)C MCULE-2488215593 [0,0,0,0,0,0|2,0,0]=2 29 B15R0.164 CCCCCCCCCCCCOC(=O)Cl MCULE-1341492119 [0,0,0,0,0,0|2,0,0]=2 30 B15R0.164 CCCCCCCCCCCCOC(=S)[S-] MCULE-2395943543 [0,0,0,0,0,0|1,2,0]=3 31 B15R0.164 CCCCCCCCCCCCOC(=S)[S-] MCULE-5871678815 [0,0,0,0,0,0|1,2,0]=3 32 B15R0.164 CCCCCCCCCCCCSC(=N)N MCULE-1172582046 [0,0,0,0,0,0|3,0,0]=3 33 B15R0.164 CCCCCCCCCCCCSC(=N)N MCULE-6001885776 [0,0,0,0,0,0|3,0,0]=3 34 B15R0.164 CCCCCCCCCCCCSC(=N)N MCULE-8803922937 [0,0,0,0,0,0|3,0,0]=3 35 B15R0.164 CCCCCCCCCCCOCC(=O)O MCULE-2338877776 [0,0,0,0,0,0|1,0,0]=1 36 B15R0.164 CCCCCCCCCCCSCC(=O)O MCULE-3362261921 [0,0,0,0,0,0|1,0,0]=1 37 B15R0.164 CCCCCCCCCCNCCC(=O)O MCULE-4890771155 [0,0,0,0,0,0|1,0,0]=1 38 B15R0.164 CCCCCCCCCCNCCC(=O)O MCULE-9733002368 [0,0,0,0,0,0|1,0,0]=1 39 B15R0.164 CCCCCCCCCCOCCC(=O)O MCULE-9683464566 [0,0,0,0,0,0|1,0,0]=1 40 B15R0.164 CCCCCCCCCCSCCC(=O)O MCULE-4853340553 [0,0,0,0,0,0|1,0,0]=1 41 B15R0.164 CCCCCCCCSCCCCC(=O)O MCULE-1196712745 [0,0,0,0,0,0|1,0,0]=1 42 B15R0.164 CCCCCCCSCCCCCC(=O)O MCULE-9410938289 [0,0,0,0,0,0|1,0,0]=1 43 B15R0.164 CCCOCCCCCCCCCC(=O)O MCULE-6540084862 [0,0,0,0,0,0|1,0,0]=1 44 B15R0.164 CNCCCCCCCCCCCC(=O)O MCULE-3869239649 [0,0,0,0,0,0|1,0,0]=1 45 B15R0.164 COCCOCCOCCOCCC(=O)O MCULE-7922991286 [0,0,0,0,0,0|4,0,0]=4 46 B15R0.164 N#N=NCCCCCCCCCCC(=O)O MCULE-2957741079 [0,0,0,0,0,0|3,0,0]=3 47 B15R0.164 O=C(O)CCCCCCCCCCCCBr MCULE-2321032418 [0,0,0,0,0,0|1,0,0]=1 48 B15R0.164 O=C(O)CCCCCCCCCCCCO MCULE-3086618486 [0,0,0,0,0,0|1,0,0]=1 49 B15R0.164 O=CNCCCCCCCCCCC(=O)O MCULE-3600316275 [0,0,0,0,0,0|2,0,1]=3 50 B15R0.164 O=N(=O)CCCCCCCCCCCCBr MCULE-4250276660 [0,0,0,0,0,0|2,0,1]=3 51 B15R0.164 O=N(=O)CCCCCCCCCCCCO MCULE-2840091029 [0,0,0,0,0,0|2,0,1]=3 52 B14R0.392 C#CCCCCCCCCCCCCC MCULE-5224279000 [1,0,0,0,0,0|1,0,1]=3 53 B14R0.392 C(=CCCCCCCCCO)CCCC MCULE-7344947468 [1,0,0,0,0,0|0,0,3]=4 54 B14R0.392 C=CCCCCCCCC#CCCCC MCULE-2827748131 [1,0,0,0,0,0|1,0,2]=4 55 B14R0.392 C=CCCCCCCCCCCCCBr MCULE-4861537594 [1,0,0,0,0,0|2,0,0]=3 56 B14R0.392 C=CCCCCCCCCCCCCC MCULE-8648825393 [1,0,0,0,0,0|1,0,0]=2 57 B14R0.392 C=CCCCCCCCCCCCCO MCULE-4486162306 [1,0,0,0,0,0|2,0,0]=3 58 B14R0.392 C=COCCCCCCCCCCCC MCULE-1459857080 [1,0,0,0,0,0|2,0,0]=3 59 B14R0.392 CC/C=C/CCCCCCCCCC=O MCULE-2385351310 [1,0,0,0,0,0|0,0,2]=3 60 B14R0.392 CC/C=C/CCCCCCCCCCO MCULE-6147260229 [1,0,0,0,0,0|0,0,3]=4 61 B14R0.392 CC/C=C\CCCCCCCCCCO MCULE-2734666708 [1,0,0,0,0,0|0,0,3]=4 62 B14R0.392 CCC#CCCCCCCCCCCO MCULE-8364905746 [1,0,0,0,0,0|0,0,3]=4 63 B14R0.392 CCC=CCCCCCCCCCC=O MCULE-2282950568 [1,0,0,0,0,0|0,0,2]=3 64 B14R0.392 CCC=CCCCCCCCCCCO MCULE-6860357182 [1,0,0,0,0,0|0,0,3]=4 65 B14R0.392 CCCC/C=C\CCCCCCCCO MCULE-2201463992 [1,0,0,0,0,0|0,0,3]=4 66 B14R0.392 CCCCCCC=CCCCCCC=O MCULE-7363296204 [1,0,0,0,0,0|0,0,2]=3 67 B14R0.392 CCCCCCCC/C=C/CCCCO MCULE-8626799878 [1,0,0,0,0,0|0,0,3]=4 68 B14R0.392 CCCCCCCC/C=C\CCCCO MCULE-7811688274 [1,0,0,0,0,0|0,0,3]=4 69 B14R0.392 CCCCCCCCC=CCCCCO MCULE-3595383050 [1,0,0,0,0,0|0,0,3]=4 70 B14R0.392 CCCCCCCCCCC#CCCO MCULE-7991598519 [1,0,0,0,0,0|0,0,3]=4 71 B14R0.392 CCCCCCCCCCCCCC#N MCULE-7152326235 [1,0,0,0,0,0|1,0,1]=3 72 B14R0.392 CCCCCCCCCCCCCC=O MCULE-7550121675 [1,0,0,0,0,0|0,0,0]=1 73 B14R0.392 CCCCCCCCCCCCCCBr MCULE-9737491714 [1,0,0,0,0,0|1,0,1]=3 74 B14R0.392 CCCCCCCCCCCCCCC MCULE-1292711626 [1,0,0,0,0,0|1,0,1]=3 75 B14R0.392 CCCCCCCCCCCCCCCl MCULE-4738230795 [1,0,0,0,0,0|1,0,1]=3 76 B14R0.392 CCCCCCCCCCCCCCF MCULE-9767518415 [1,0,0,0,0,0|1,0,1]=3 77 B14R0.392 CCCCCCCCCCCCCCN MCULE-8592595177 [1,0,0,0,0,0|1,0,1]=3 78 B14R0.392 CCCCCCCCCCCCCCO MCULE-8719320111 [1,0,0,0,0,0|0,0,1]=2 79 B14R0.392 CCCCCCCCCCCCCCS MCULE-5679876747 [1,0,0,0,0,0|0,1,1]=3 80 B14R0.392 CCCCCCCCCCCCC[NH2+]C MCULE-4777104073 [1,0,0,0,0,0|2,0,0]=3 81 B14R0.392 CCCCCCCCCCCCC[NH2+]C MCULE-6540647325 [1,0,0,0,0,0|2,0,0]=3 82 B14R0.392 CCCCCCCCCCCCN=C=O MCULE-6525738732 [1,0,0,0,0,0|1,0,1]=3 83 B14R0.392 CCCCCCCCCCCCN=C=S MCULE-5639549655 [1,0,0,0,0,0|1,1,1]=4 84 B14R0.392 CCCCCCCCCCCCN=N#N MCULE-4906434307 [1,0,0,0,0,0|3,0,0]=4 85 B14R0.392 CCCCCCCCCCCCNC=O MCULE-2685945212 [1,0,0,0,0,0|1,0,0]=2 86 B14R0.392 CCCCCCCCCCCCNCC MCULE-6669418249 [1,0,0,0,0,0|2,0,1]=4 87 B14R0.392 CCCCCCCCCCCCOC=O MCULE-6493174878 [1,0,0,0,0,0|1,0,0]=2 88 B14R0.392 CCCCCCCCCCCCSC#N MCULE-1758849726 [1,0,0,0,0,0|2,0,1]=4 89 B14R0.392 CCCCCCCCCCCCSCC MCULE-3847929623 [1,0,0,0,0,0|2,0,1]=4 90 B14R0.392 CCCCCCCCCCCNCCC MCULE-2740020624 [1,0,0,0,0,0|2,0,1]=4 91 B14R0.392 CCCCCCCCCCCOCCO MCULE-9070806750 [1,0,0,0,0,0|1,0,1]=3 92 B14R0.392 CCCCCCCCCCOCCC#N MCULE-1226038227 [1,0,0,0,0,0|2,0,1]=4 93 B14R0.392 CCCCCCCCCCOCCCN MCULE-5521116196 [1,0,0,0,0,0|2,0,1]=4 94 B14R0.392 CCCCCCCCCCOCCC[NH3+] MCULE-4032173132 [1,0,0,0,0,0|2,0,1]=4 95 B14R0.392 CCCCCCCCCCSCCCO MCULE-8768496784 [1,0,0,0,0,0|1,0,1]=3 96 B14R0.392 CCCCCCCCCNCCCCC MCULE-6073560034 [1,0,0,0,0,0|2,0,1]=4 97 B14R0.392 CCCCCCCCC[NH2+]CCCCC MCULE-8442579178 [1,0,0,0,0,0|2,0,1]=4 98 B14R0.392 CCCCCCCCNCCCCCC MCULE-1148069991 [1,0,0,0,0,0|2,0,1]=4 99 B14R0.392 CCCCCCCCOCCOCCO MCULE-1601729359 [1,0,0,0,0,0|2,0,1]=4 100 B14R0.392 CCCCCCCCSCCOCCO MCULE-7061985127 [1,0,0,0,0,0|2,0,1]=4 101 B14R0.392 CCCCCCCNCCCCCCC MCULE-8281252980 [1,0,0,0,0,0|2,0,1]=4 102 B14R0.392 CCCCCCCOCCCCCCC MCULE-7411737646 [1,0,0,0,0,0|2,0,1]=4 103 B14R0.392 CCCCCCCSCCCCCCC MCULE-8546717040 [1,0,0,0,0,0|2,0,1]=4 104 B14R0.392 OCCCCCCCCCCCCCBr MCULE-1397457487 [1,0,0,0,0,0|1,0,1]=3 105 B14R0.392 OCCCCCCCCCCCCCO MCULE-9763203178 [1,0,0,0,0,0|1,0,1]=3 106 B14R0.392 [NH2+](CC)CCCCCCCCCCCC MCULE-2677553062 [1,0,0,0,0,0|2,0,1]=4 107 B14R0.392 [NH2+](CCC)CCCCCCCCCCC MCULE-1566613456 [1,0,0,0,0,0|2,0,1]=4 108 B14R0.394 C#CCCCCCCCCCCC(=O)O MCULE-5450003719 [1,0,0,0,0,0|0,0,2]=3 109 B14R0.394 C=C(C)CCCCCCCCCCCC MCULE-1660064186 [1,0,0,0,0,0|2,0,0]=3 110 B14R0.394 C=CCCCCCCCCCCC(=O)O MCULE-9793800000 [1,0,0,0,0,0|0,0,2]=3 111 B14R0.394 CCCCC#CCCCCCCC(=O)O MCULE-8024164485 [1,0,0,0,0,0|0,0,2]=3 112 B14R0.394 CCCCCCCCCCC=CC(=O)O MCULE-4178586146 [1,0,0,0,0,0|0,0,2]=3 113 B14R0.394 CCCCCCCCCCCCB(O)O MCULE-9093678828 [1,0,0,0,0,0|1,0,1]=3 114 B14R0.394 CCCCCCCCCCCCC(=O)C MCULE-2872423248 [1,0,0,0,0,0|1,0,0]=2 115 B14R0.394 CCCCCCCCCCCCC(=O)O MCULE-1430959106 [1,0,0,0,0,0|0,0,0]=1 116 B14R0.394 CCCCCCCCCCCCC(C)C MCULE-7317925183 [1,0,0,0,0,0|2,0,1]=4 117 B14R0.394 CCCCCCCCCCCCC(C)I MCULE-9658991496 [1,0,0,0,0,0|2,0,1]=4 118 B14R0.394 CCCCCCCCCCCCC(C)O MCULE-1888626759 [1,0,0,0,0,0|1,0,1]=3 119 B14R0.394 CCCCCCCCCCCCN(=O)=O MCULE-5400909349 [1,0,0,0,0,0|1,0,1]=3 120 B14R0.394 CCCCCCCCCCCCN(C)C MCULE-7234022591 [1,0,0,0,0,0|3,0,0]=4 121 B14R0.394 CCCCCCCCCCCCS(=O)C MCULE-1846061546 [1,0,0,0,0,0|2,0,0]=3 122 B14R0.394 CCCCCCCCCCCOC(=O)C MCULE-9960804873 [1,0,0,0,0,0|2,0,0]=3 123 B14R0.394 CCCCCCCCCC[NH2+]CC(=O)O MCULE-1390429058 [1,0,0,0,0,0|1,0,0]=2 124 B14R0.394 CCCCCCCCCC[NH2+]CC(=O)O MCULE-7569072874 [1,0,0,0,0,0|1,0,0]=2 125 B14R0.394 CCCCCCCCSCCOC(=O)C MCULE-3293546242 [1,0,0,0,0,0|3,0,0]=4 126 B14R0.394 N#CCCCCCCCCCCC(=O)O MCULE-7550910857 [1,0,0,0,0,0|1,0,1]=3 127 B14R0.394 N#N=NCCCCCCCCCC(=O)O MCULE-9886282931 [1,0,0,0,0,0|3,0,0]=4 128 B14R0.394 NCCCCCCCCCCCC(=O)O MCULE-4152674665 [1,0,0,0,0,0|1,0,0]=2 129 B14R0.394 O=C(O)CCCCCCCCCCCBr MCULE-7401124485 [1,0,0,0,0,0|1,0,0]=2 130 B14R0.394 O=C(O)CCCCCCCCCCCO MCULE-6776936355 [1,0,0,0,0,0|1,0,0]=2 131 B14R0.394 O=C(O)CCCCCCCCCCCS MCULE-7711860322 [1,0,0,0,0,0|1,0,0]=2 132 B14R0.394 O=C(O)COCCOCCCCCCCl MCULE-1118128476 [1,0,0,0,0,0|3,0,0]=4 133 B14R0.394 O=N(=O)CCCCCCCCCCCO MCULE-8940789390 [1,0,0,0,0,0|2,0,1]=4 134 B14R0.394 [NH+](C)(C)CCCCCCCCCCCC MCULE-8328860853 [1,0,0,0,0,0|3,0,0]=4 135 B16R0.41 CCCC(O)CCCCCCCCCC(=O)O MCULE-1937957199 [0,1,0,0,0,0|0,0,0]=1 136 B16R0.131 CCCCC(=O)CCCCCCCCC(=O)O MCULE-7754358047 [0,1,0,0,0,0|0,0,1]=2 137 B16R0.131 CCCCC(O)CCCCCCCCC(=O)O MCULE-5323254369 [0,1,0,0,0,0|0,0,0]=1 138 B16R0.165 CCC(C)CCCCCCCCCCC(=O)O MCULE-7822234238 [0,1,0,0,0,0|0,0,0]=1 139 B16R0.165 CC[C@@H](C)CCCCCCCCCCC(=O)O MCULE-6272236651 [0,1,0,0,0,0|0,0,0]=1 140 B16R0.165 COC(=O)CCCCCCCCCCC(=O)Cl MCULE-9470204504 [0,1,0,0,0,0|2,0,1]=4 141 B16R0.165 COC(=O)CCCCCCCCCCC(=O)N MCULE-1607971907 [0,1,0,0,0,0|2,0,1]=4 142 B16R0.165 COC(=O)CCCCCCCCCCC(=O)O MCULE-4901379479 [0,1,0,0,0,0|1,0,1]=3 143 B16R0.177 CCCCCCC(=O)CCCCCCC(=O)O MCULE-4503353213 [0,1,0,0,0,0|0,0,1]=2 144 B16R0.177 CCCCCCC(O)CCCCCCC(=O)O MCULE-5389070847 [0,1,0,0,0,0|0,0,0]=1 145 B16R0.177 NCCCCCC(=O)NCCCCCC(=O)O MCULE-6126924523 [0,1,0,0,0,0|2,0,1]=4 146 B16R0.221 C=CC(=O)NCCCCCCCCCCCC MCULE-9950730044 [0,1,0,0,0,0|2,0,0]=3 147 B16R0.221 C=CC(=O)OCCCCCCCCCCCC MCULE-2937609730 [0,1,0,0,0,0|2,0,0]=3 148 B16R0.221 CCCCC=CCCCCCCCC(=O)OC MCULE-6534469638 [0,1,0,0,0,0|0,0,2]=3 149 B16R0.221 CCCCCCCCCCCCCC(=O)CC MCULE-9117802063 [0,1,0,0,0,0|1,0,0]=2 150 B16R0.221 CCCCCCCCCCCCCC(=O)NN MCULE-3612607907 [0,1,0,0,0,0|1,0,0]=2 151 B16R0.221 CCCCCCCCCCCCCC(=O)OC MCULE-3729213959 [0,1,0,0,0,0|0,0,0]=1 152 B16R0.221 CCCCCCCCCCCCCC(N)CO MCULE-6569333741 [0,1,0,0,0,0|1,0,1]=3 153 B16R0.221 CCCCCCCCCCCCCC(N)CO MCULE-9950796518 [0,1,0,0,0,0|1,0,1]=3 154 B16R0.221 CCCCCCCCCCCCCC(O)CC MCULE-3941630395 [0,1,0,0,0,0|1,0,1]=3 155 B16R0.221 CCCCCCCCCCCCNC(=O)CC MCULE-4783922420 [0,1,0,0,0,0|2,0,0]=3 156 B16R0.221 CCCCCCCCCCCCNC(=O)CCl MCULE-4529382467 [0,1,0,0,0,0|2,0,0]=3 157 B16R0.221 CCCCCCCCCCCCNC(=S)NN MCULE-5381270237 [0,1,0,0,0,0|2,1,0]=4 158 B16R0.221 CCCCCCCCCCCCOC(=O)CBr MCULE-2483808028 [0,1,0,0,0,0|2,0,0]=3 159 B16R0.221 CCCCCCCCCCCCOC(=O)CC MCULE-8247406436 [0,1,0,0,0,0|2,0,0]=3 160 B16R0.221 CCCCCCCCCCCCOC(=O)CCl MCULE-6379931852 [0,1,0,0,0,0|2,0,0]=3 161 B16R0.221 CCCCCCCCCCCCOC(=O)CN MCULE-5189541815 [0,1,0,0,0,0|2,0,0]=3 162 B16R0.221 CCCCCCCCCCCCOC(=O)CN MCULE-8545291130 [0,1,0,0,0,0|2,0,0]=3 163 B16R0.221 CCCCCCCCCCCCOC(=O)CS MCULE-8899893008 [0,1,0,0,0,0|1,1,0]=3 164 B16R0.221 CCCCCCCCCCCCS/C(=N/C)/N MCULE-2953617930 [0,1,0,0,0,0|3,0,0]=4 165 B16R0.221 CCCCCCCCCCCCS/C(=N/C)/N MCULE-4652535696 [0,1,0,0,0,0|3,0,0]=4 166 B16R0.221 COC(=O)CCCCCCCCCCCCBr MCULE-1167427070 [0,1,0,0,0,0|1,0,0]=2 167 B16R0.221 COC(=O)CCCCCCCCCCN=N#N MCULE-2789691091 [0,1,0,0,0,0|3,0,0]=4 168 B16R0.224 CCCCCCCCCCCCC(Br)C(=O)O MCULE-5819916240 [0,1,0,0,0,0|0,0,0]=1 169 B16R0.224 CCCCCCCCCCCCC(C)C(=O)C MCULE-3149404714 [0,1,0,0,0,0|1,0,0]=2 170 B16R0.224 CCCCCCCCCCCCC(C)C(=O)O MCULE-3088988040 [0,1,0,0,0,0|0,0,0]=1 171 B16R0.224 CCCCCCCCCCCCC(O)C(=O)O MCULE-8369309534 [0,1,0,0,0,0|0,0,0]=1 172 B16R0.224 CCCCCCCCCCCC[C@H](N)C(=O)O MCULE-9531094866 [0,1,0,0,0,0|0,0,0]=1 173 B16R0.224 CCCCCCCCCCC[NH2+]C(C)C(=O)O MCULE-2434900409 [0,1,0,0,0,0|1,0,0]=2 174 B16R0.224 CCCCCCCCCCC[NH2+]C(C)C(=O)O MCULE-7471369626 [0,1,0,0,0,0|1,0,0]=2 175 B16R0.274 C=CCCCCCCCCCCCCC(=O)O MCULE-1403801057 [0,1,0,0,0,0|0,0,1]=2 176 B16R0.274 CCCCC=CCCCCCCCCC(=O)O MCULE-4211765208 [0,1,0,0,0,0|0,0,1]=2 177 B16R0.274 CCCCCCCCC=CCCCOC(=O)C MCULE-1762005887 [0,1,0,0,0,0|1,0,2]=4 178 B16R0.274 CCCCCCCCCCCCCCB(O)O MCULE-3614309342 [0,1,0,0,0,0|1,0,1]=3 179 B16R0.274 CCCCCCCCCCCCCCC(=O)C MCULE-2580004145 [0,1,0,0,0,0|1,0,0]=2 180 B16R0.274 CCCCCCCCCCCCCCC(=O)Cl MCULE-8745106680 [0,1,0,0,0,0|1,0,0]=2 181 B16R0.274 CCCCCCCCCCCCCCC(=O)N MCULE-6897989236 [0,1,0,0,0,0|1,0,0]=2 182 B16R0.274 CCCCCCCCCCCCCCC(=O)O MCULE-3630464562 [0,1,0,0,0,0|0,0,0]=1 183 B16R0.274 CCCCCCCCCCCCCCC(C)O MCULE-8477286739 [0,1,0,0,0,0|1,0,1]=3 184 B16R0.274 CCCCCCCCCCCCCCN(=O)=O MCULE-8122338188 [0,1,0,0,0,0|1,0,1]=3 185 B16R0.274 CCCCCCCCCCCCCCN(C)C MCULE-1169700979 [0,1,0,0,0,0|3,0,0]=4 186 B16R0.274 CCCCCCCCCCCCCOB(O)O MCULE-6853722078 [0,1,0,0,0,0|1,0,1]=3 187 B16R0.274 CCCCCCCCCCCCCOC(=O)C MCULE-3462383419 [0,1,0,0,0,0|1,0,0]=2 188 B16R0.274 CCCCCCCCCCCCNCC(=O)O MCULE-7069020402 [0,1,0,0,0,0|0,0,0]=1 189 B16R0.274 CCCCCCCCCCCCOCC(=O)O MCULE-5186628423 [0,1,0,0,0,0|0,0,0]=1 190 B16R0.274 CCCCCCCCCCCCSCC(=O)O MCULE-8937853494 [0,1,0,0,0,0|0,0,0]=1 191 B16R0.274 CCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2182837845 [0,1,0,0,0,0|0,0,0]=1 192 B16R0.274 CCCCCCCCCCNCCCC(=O)O MCULE-2947320698 [0,1,0,0,0,0|0,0,0]=1 193 B16R0.274 CCCCCCCCCCNCCCC(=O)O MCULE-5076653771 [0,1,0,0,0,0|0,0,0]=1 194 B16R0.274 CCCCCCCCCCSCCSC(=N)N MCULE-1456754521 [0,1,0,0,0,0|3,0,0]=4 195 B16R0.274 CCCCCCCCCCSCCSC(=N)N MCULE-3136429452 [0,1,0,0,0,0|3,0,0]=4 196 B16R0.274 CCCCCCCCCCSCCSC(=N)N MCULE-3465361400 [0,1,0,0,0,0|3,0,0]=4 197 B16R0.274 COCCOCCOCCOCCCC(=O)O MCULE-1510792205 [0,1,0,0,0,0|3,0,0]=4 198 B16R0.274 N#N=NCCCCCCCCCCCC(=O)O MCULE-2436331538 [0,1,0,0,0,0|2,0,0]=3 199 B16R0.274 NCCCCCCCCCCCCCC(=O)O MCULE-6805237317 [0,1,0,0,0,0|0,0,0]=1 200 B16R0.274 O=C(O)CCCCCCCCCCCCCBr MCULE-6321854023 [0,1,0,0,0,0|0,0,0]=1 201 B16R0.274 O=C(O)CCCCCCCCCCCCCO MCULE-2388869238 [0,1,0,0,0,0|0,0,0]=1 202 B16R0.274 O=C(O)CCCCCCCCCCCCCS MCULE-3340350604 [0,1,0,0,0,0|0,0,0]=1 203 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)O MCULE-3004334687 [0,1,0,0,0,0|1,0,1]=3 204 B16R0.297 CCCCOCCCNC(=O)CCCC(=O)O MCULE-8194319486 [0,1,0,0,0,0|2,0,1]=4 205 B16R0.302 CCCCCCCCCCCC(=O)NC(=O)N MCULE-6859082771 [0,1,0,0,0,0|2,0,1]=4 206 B16R0.302 CCCCCCCCCCCC(C)CC(=O)O MCULE-2991345155 [0,1,0,0,0,0|0,0,0]=1 207 B16R0.302 CCCCCCCCCCCC(O)CC(=O)O MCULE-4756542974 [0,1,0,0,0,0|0,0,0]=1 208 B16R0.302 CCCCCCCCCCC[C@@H](O)CC(=O)O MCULE-1246941080 [0,1,0,0,0,0|0,0,0]=1 209 B16R0.302 CCCCCCCCCCOC(=O)CC(=O)C MCULE-4216674513 [0,1,0,0,0,0|2,0,1]=4 210 B16R0.1188 CCCCCCCCCCCCCC(C)(C)S MCULE-5317128799 [0,1,0,0,0,0|1,1,1]=4 211 B16R0.1188 CCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-1966618277 [0,1,0,0,0,0|1,0,1]=3 212 B16R0.1188 CCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-3533610819 [0,1,0,0,0,0|1,0,1]=3 213 B16R0.1188 CCCCCCCCCCCCOP(=O)(O)O MCULE-1145207013 [0,1,0,0,0,0|2,0,0]=3 214 B16R0.1188 CCCCCCCCCCCCOP(=O)(O)O MCULE-3170213829 [0,1,0,0,0,0|2,0,0]=3 215 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O MCULE-8121446012 [0,1,0,0,0,0|2,0,0]=3 216 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-3052507378 [0,1,0,0,0,0|2,0,1]=4 217 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-3252821110 [0,1,0,0,0,0|2,0,1]=4 218 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-5057320966 [0,1,0,0,0,0|2,0,1]=4 219 B16R0.1188 O=P(O)(O)CCCCCCCCCCCCS MCULE-8515448412 [0,1,0,0,0,0|2,0,0]=3 220 B16R0.1188 O=P(O)(O)OCCCCCCCCCCCS MCULE-9687351996 [0,1,0,0,0,0|3,0,0]=4 221 B16R0.1469 CCCCCC(=O)CCCCCCCC(=O)O MCULE-6359730553 [0,1,0,0,0,0|0,0,1]=2 222 B16R0.1469 CCCCCC(O)CCCCCCCC(=O)O MCULE-4062514314 [0,1,0,0,0,0|0,0,0]=1 223 B16R0.1820 CCCCCCCCC(=O)CCCCC(=O)O MCULE-8026963437 [0,1,0,0,0,0|0,0,1]=2 224 B16R0.1820 CCCCCCCCC(O)CCCCC(=O)O MCULE-6832728953 [0,1,0,0,0,0|0,0,0]=1 225 B16R0.1820 CCCCCCCCS(=O)CCCCC(=O)O MCULE-4893444874 [0,1,0,0,0,0|1,0,0]=2 226 B16R0.3183 CCCCCCCCCCS(=O)CCC(=O)O MCULE-1262811260 [0,1,0,0,0,0|1,0,0]=2 227 B16R0.3288 CC(=O)CCCCCCCCCCCC(=O)O MCULE-6923186337 [0,1,0,0,0,0|0,0,1]=2 228 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)O MCULE-7323844658 [0,1,0,0,0,0|0,0,0]=1 229 B16R0.3288 CC(O)CCCCCCCCCCCC(=O)O MCULE-3635113821 [0,1,0,0,0,0|0,0,0]=1 230 B16R0.3288 O=C(Cl)CCCCCCCCCCCC(=O)Cl MCULE-2918284092 [0,1,0,0,0,0|2,0,1]=4 231 B16R0.3288 O=C(O)CCCCCCCCCCCC(=O)O MCULE-8192564811 [0,1,0,0,0,0|1,0,1]=3 232 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 MCULE-8938614477 [0,0,0,1,0,0|0,0,0]=1 233 B16R1.596 O=C(O)CCCCCCOC1CCCCO1 MCULE-1769872572 [0,0,0,1,0,0|2,0,0]=3 234 B16R1.596 O=C(O)CCCOCCOC1CCCCO1 MCULE-9661661113 [0,0,0,1,0,0|3,0,0]=4 235 B16R1.642 CCCCCCCCC=C[C@H]1CCC(=O)O1 MCULE-1925789551 [0,0,0,1,0,0|0,0,2]=3 236 B16R1.3904 CCCCCCCC1CCCC1CC(=O)O MCULE-5962401066 [0,0,0,1,0,0|0,0,0]=1 237 B16R1.8816 O=C1CCCCCCCCCCCCCC1 MCULE-7713299679 [0,0,0,1,0,0|1,0,0]=2 238 B16R1.8816 O=C1CCCCCCCCCCOCCO1 MCULE-5709281545 [0,0,0,1,0,0|1,0,0]=2 239 B16R1.8816 OC1CCCCCCCCCCCCCC1 MCULE-1220726144 [0,0,0,1,0,0|1,0,1]=3 240 B16R1.10873 CC(=O)C1CCCCCCCCCCC1=O MCULE-1431838644 [0,0,0,1,0,0|2,0,1]=4 241 B16R1.17455 CCCCCCCCCCCCCC1CO1 MCULE-2516429313 [0,0,0,1,0,0|1,0,1]=3 242 B16R1.17455 CCCCCCCCCCCCC[C@@H]1CO1 MCULE-5745331369 [0,0,0,1,0,0|1,0,1]=3 243 B16R1.17455 CCCCCCCCCCCOC[C@H]1CO1 MCULE-6089454831 [0,0,0,1,0,0|2,0,1]=4 244 B16R1.18167 CC(=O)CC1CCCCCCCCCCC1 MCULE-3880635347 [0,0,0,1,0,0|1,0,0]=2 245 B16R1.18167 CC(O)CC1CCCCCCCCCCC1 MCULE-7920074213 [0,0,0,1,0,0|1,0,1]=3 246 B16R1.20337 CCCCCCCCCCC1CC1C(=O)O MCULE-6448726765 [0,0,0,1,0,0|0,0,0]=1 247 B13R0.336 BrCCCCCCCCCCCCBr MCULE-6672891675 [2,0,0,0,0,0|2,0,0]=4 248 B13R0.336 C#CCCCCCCCCCCCC MCULE-4146985591 [2,0,0,0,0,0|0,0,2]=4 249 B13R0.336 C#CCCCCCCCCCCCO MCULE-9314358664 [2,0,0,0,0,0|0,0,2]=4 250 B13R0.336 C=CCCCCCCCCCCCBr MCULE-3110147791 [2,0,0,0,0,0|1,0,1]=4 251 B13R0.336 C=CCCCCCCCCCCCC MCULE-5148675782 [2,0,0,0,0,0|0,0,1]=3 252 B13R0.336 C=CCCCCCCCCCCCO MCULE-6006083957 [2,0,0,0,0,0|0,0,2]=4 253 B13R0.336 C=CCSCCCCCCCCCC MCULE-6078028682 [2,0,0,0,0,0|1,0,1]=4 254 B13R0.336 CCCCCCCCCCC=CCO MCULE-7248316175 [2,0,0,0,0,0|0,0,2]=4 255 B13R0.336 CCCCCCCCCCCCC#N MCULE-2240447839 [2,0,0,0,0,0|1,0,1]=4 256 B13R0.336 CCCCCCCCCCCCC=O MCULE-6267230462 [2,0,0,0,0,0|0,0,0]=2 257 B13R0.336 CCCCCCCCCCCCCBr MCULE-4920949706 [2,0,0,0,0,0|1,0,0]=3 258 B13R0.336 CCCCCCCCCCCCCC MCULE-7442374993 [2,0,0,0,0,0|0,0,1]=3 259 B13R0.336 CCCCCCCCCCCCCCl MCULE-5597677663 [2,0,0,0,0,0|1,0,0]=3 260 B13R0.336 CCCCCCCCCCCCCI MCULE-8848884635 [2,0,0,0,0,0|1,0,0]=3 261 B13R0.336 CCCCCCCCCCCCCN MCULE-1771591728 [2,0,0,0,0,0|1,0,0]=3 262 B13R0.336 CCCCCCCCCCCCCO MCULE-4385103550 [2,0,0,0,0,0|0,0,0]=2 263 B13R0.336 CCCCCCCCCCCCNC MCULE-6157278006 [2,0,0,0,0,0|1,0,1]=4 264 B13R0.336 CCCCCCCCCCCCON MCULE-8050164267 [2,0,0,0,0,0|2,0,0]=4 265 B13R0.336 CCCCCCCCCCCCSC MCULE-8837710331 [2,0,0,0,0,0|1,0,1]=4 266 B13R0.336 CCCCCCCCCCCSCC MCULE-7247079771 [2,0,0,0,0,0|1,0,1]=4 267 B13R0.336 CCCCCCCCCCNCCC MCULE-5779059384 [2,0,0,0,0,0|1,0,1]=4 268 B13R0.336 CCCCCCCCCCNCCO MCULE-6579629969 [2,0,0,0,0,0|1,0,0]=3 269 B13R0.336 CCCCCCCCCCOCCCl MCULE-1526089088 [2,0,0,0,0,0|2,0,0]=4 270 B13R0.336 CCCCCCCCCCOCCO MCULE-4975665756 [2,0,0,0,0,0|1,0,0]=3 271 B13R0.336 CCCCCCCCCCSCCO MCULE-4627647142 [2,0,0,0,0,0|1,0,0]=3 272 B13R0.336 CCCCCCCCCC[NH2+]CCCl MCULE-2529658193 [2,0,0,0,0,0|2,0,0]=4 273 B13R0.336 CCCCCCCCCC[NH2+]CCCl MCULE-5824513113 [2,0,0,0,0,0|2,0,0]=4 274 B13R0.336 CCCCCCCCC[NH2+]CCCC MCULE-3004462204 [2,0,0,0,0,0|1,0,1]=4 275 B13R0.336 CCCCCCCCC[NH2+]CCCC MCULE-3338948197 [2,0,0,0,0,0|1,0,1]=4 276 B13R0.336 CCCCCCCSCCOCCO MCULE-9037054254 [2,0,0,0,0,0|2,0,0]=4 277 B13R0.336 CCCCCCNCCCCCCN MCULE-6843159625 [2,0,0,0,0,0|2,0,0]=4 278 B13R0.336 ClCCCCCCCCCCCCCl MCULE-9606409213 [2,0,0,0,0,0|2,0,0]=4 279 B13R0.336 NCCCCCCCCCCCCBr MCULE-3944006044 [2,0,0,0,0,0|2,0,0]=4 280 B13R0.336 NCCCCCCCCCCCCBr MCULE-9552866350 [2,0,0,0,0,0|2,0,0]=4 281 B13R0.336 NCCCCCCCCCCCCN MCULE-7545047614 [2,0,0,0,0,0|2,0,0]=4 282 B13R0.336 NCCCCCCCCCCCCO MCULE-2914976551 [2,0,0,0,0,0|1,0,0]=3 283 B13R0.336 O=CCCCCCCCCCCC=O MCULE-9426216050 [2,0,0,0,0,0|1,0,1]=4 284 B13R0.336 O=CCCCCCCCCCCCBr MCULE-4256275371 [2,0,0,0,0,0|1,0,0]=3 285 B13R0.336 OCCCCCCCCCCCCBr MCULE-1748500310 [2,0,0,0,0,0|1,0,0]=3 286 B13R0.336 OCCCCCCCCCCCCO MCULE-7189041510 [2,0,0,0,0,0|1,0,0]=3 287 B13R0.336 OCCCCCOCCCCCCCl MCULE-1987336489 [2,0,0,0,0,0|2,0,0]=4 288 B13R0.54 C#CCCCCCCCCCC(=O)O MCULE-3493346393 [2,0,0,0,0,0|0,0,2]=4 289 B13R0.54 C=C(C)CCCCCCCCCCC MCULE-6486590493 [2,0,0,0,0,0|2,0,0]=4 290 B13R0.54 C=CCCCCCCCCCC(=O)O MCULE-6330367894 [2,0,0,0,0,0|0,0,2]=4 291 B13R0.54 CCCCCC/C=C\CCCC(=O)O MCULE-9454929405 [2,0,0,0,0,0|0,0,2]=4 292 B13R0.54 CCCCCCC=CCCCC(=O)O MCULE-1299148519 [2,0,0,0,0,0|0,0,2]=4 293 B13R0.54 CCCCCCCCC/C=C/C(=O)O MCULE-8068052432 [2,0,0,0,0,0|0,0,2]=4 294 B13R0.54 CCCCCCCCCC=CC(=O)O MCULE-5397880976 [2,0,0,0,0,0|0,0,2]=4 295 B13R0.54 CCCCCCCCCCCC(=N)N MCULE-2355708247 [2,0,0,0,0,0|2,0,0]=4 296 B13R0.54 CCCCCCCCCCCC(=O)C MCULE-9311016763 [2,0,0,0,0,0|1,0,0]=3 297 B13R0.54 CCCCCCCCCCCC(=O)Cl MCULE-9866142193 [2,0,0,0,0,0|1,0,0]=3 298 B13R0.54 CCCCCCCCCCCC(=O)N MCULE-2324074583 [2,0,0,0,0,0|1,0,0]=3 299 B13R0.54 CCCCCCCCCCCC(=O)O MCULE-2795129925 [2,0,0,0,0,0|0,0,0]=2 300 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-4306276668 [2,0,0,0,0,0|0,0,1]=3 301 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-5989799433 [2,0,0,0,0,0|0,0,1]=3 302 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-7873290711 [2,0,0,0,0,0|0,0,1]=3 303 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-8752609733 [2,0,0,0,0,0|0,0,1]=3 304 B13R0.54 CCCCCCCCCCCC(C)O MCULE-3181779723 [2,0,0,0,0,0|1,0,1]=4 305 B13R0.54 CCCCCCCCCCCN(=O)=O MCULE-4760203332 [2,0,0,0,0,0|1,0,1]=4 306 B13R0.54 CCCCCCCCCCNC(=O)N MCULE-8422314743 [2,0,0,0,0,0|2,0,0]=4 307 B13R0.54 CCCCCCCCCCOC(=O)C MCULE-7452399897 [2,0,0,0,0,0|2,0,0]=4 308 B13R0.54 CCCCCCCCCCOC(=O)Cl MCULE-8601514194 [2,0,0,0,0,0|2,0,0]=4 309 B13R0.54 CCCCCCCCOCCC(=O)O MCULE-1079344518 [2,0,0,0,0,0|1,0,0]=3 310 B13R0.54 CCCCCCCCSCCC(=O)N MCULE-3514095129 [2,0,0,0,0,0|2,0,0]=4 311 B13R0.54 CCCCCCCCSCCC(=O)O MCULE-4405987007 [2,0,0,0,0,0|1,0,0]=3 312 B13R0.54 CCCCCCCCSCCC(=O)[O-] MCULE-2242790491 [2,0,0,0,0,0|1,0,1]=4 313 B13R0.54 CCCCCNCCCCCC(=O)O MCULE-7344928222 [2,0,0,0,0,0|1,0,0]=3 314 B13R0.54 CCCCSCCCCCCC(=O)O MCULE-8131072528 [2,0,0,0,0,0|1,0,0]=3 315 B13R0.54 NC(=O)CCCCCCCCCCBr MCULE-6636357331 [2,0,0,0,0,0|2,0,0]=4 316 B13R0.54 NCCCCCCCCCCC(=O)O MCULE-1751028538 [2,0,0,0,0,0|1,0,0]=3 317 B13R0.54 NCCCCCCCCCCC(=O)[O-] MCULE-8171823933 [2,0,0,0,0,0|1,0,1]=4 318 B13R0.54 O=C(Cl)CCCCCCCCCCBr MCULE-9607447068 [2,0,0,0,0,0|2,0,0]=4 319 B13R0.54 O=C(O)CCCCCCCCCCBr MCULE-9911407009 [2,0,0,0,0,0|1,0,0]=3 320 B13R0.54 O=C(O)CCCCCCCCCCCl MCULE-7412307649 [2,0,0,0,0,0|1,0,0]=3 321 B13R0.54 O=C(O)CCCCCCCCCCO MCULE-8232897652 [2,0,0,0,0,0|1,0,0]=3 322 B13R0.54 O=C(O)CCCCCCCCCCS MCULE-9528951895 [2,0,0,0,0,0|1,0,0]=3 323 B13R0.54 O=C(O)CCCCCCCCCOO MCULE-9572784167 [2,0,0,0,0,0|2,0,0]=4 324 B15R0.70 BrCCCCCCCCCCCCCCBr MCULE-6889376040 [1,1,0,0,0,0|1,0,1]=4 325 B15R0.70 C#CCCCCCCCCCCCCCC MCULE-8004044828 [1,1,0,0,0,0|1,0,1]=4 326 B15R0.70 C#CCCCCCCCCCCCCCO MCULE-6688649818 [1,1,0,0,0,0|0,0,2]=4 327 B15R0.70 C=CCCCCCCCCCCCCCBr MCULE-2396015907 [1,1,0,0,0,0|1,0,0]=3 328 B15R0.70 C=CCCCCCCCCCCCCCC MCULE-4969847612 [1,1,0,0,0,0|1,0,0]=3 329 B15R0.70 C=CCCCCCCCCCCCCCO MCULE-1065498044 [1,1,0,0,0,0|1,0,0]=3 330 B15R0.70 CCCCCCCCCCCCCCC#N MCULE-8488724666 [1,1,0,0,0,0|1,0,1]=4 331 B15R0.70 CCCCCCCCCCCCCCC=O MCULE-3290991576 [1,1,0,0,0,0|0,0,0]=2 332 B15R0.70 CCCCCCCCCCCCCCCBr MCULE-8425641825 [1,1,0,0,0,0|1,0,1]=4 333 B15R0.70 CCCCCCCCCCCCCCCC MCULE-6113174809 [1,1,0,0,0,0|1,0,1]=4 334 B15R0.70 CCCCCCCCCCCCCCCI MCULE-3840639439 [1,1,0,0,0,0|1,0,1]=4 335 B15R0.70 CCCCCCCCCCCCCCCN MCULE-1378870281 [1,1,0,0,0,0|1,0,1]=4 336 B15R0.70 CCCCCCCCCCCCCCCO MCULE-4053675052 [1,1,0,0,0,0|0,0,1]=3 337 B15R0.70 CCCCCCCCCCCCCCCS MCULE-7681133186 [1,1,0,0,0,0|0,1,1]=4 338 B15R0.70 CCCCCCCCCCCCCNCC MCULE-7261878767 [1,1,0,0,0,0|1,0,1]=4 339 B15R0.70 CCCCCCCCCCCCNCCC MCULE-2378403543 [1,1,0,0,0,0|1,0,1]=4 340 B15R0.70 CCCCCCCCCCCCNCCO MCULE-1636811846 [1,1,0,0,0,0|0,0,1]=3 341 B15R0.70 CCCCCCCCCCCCOCCCl MCULE-9177808600 [1,1,0,0,0,0|1,0,1]=4 342 B15R0.70 CCCCCCCCCCCCOCCO MCULE-5043607718 [1,1,0,0,0,0|0,0,1]=3 343 B15R0.70 CCCCCCCCCCCCSCCN MCULE-9926172507 [1,1,0,0,0,0|1,0,1]=4 344 B15R0.70 CCCCCCCCCCCCSCCO MCULE-7138907549 [1,1,0,0,0,0|0,0,1]=3 345 B15R0.70 CCCCCCCCCCCNCCCC MCULE-4441534633 [1,1,0,0,0,0|1,0,1]=4 346 B15R0.70 CCCCCCCCCCCNCCCO MCULE-1917257904 [1,1,0,0,0,0|0,0,1]=3 347 B15R0.70 CCCCCCCCCCOCCCCO MCULE-2477857106 [1,1,0,0,0,0|0,0,1]=3 348 B15R0.70 CCCCCCCCNCCCCCCC MCULE-1117954596 [1,1,0,0,0,0|1,0,1]=4 349 B15R0.70 CCCCCCCCOCCCCCCO MCULE-7610355921 [1,1,0,0,0,0|0,0,1]=3 350 B15R0.70 CNCCCCCCCCCCCCNC MCULE-7856760950 [1,1,0,0,0,0|2,0,0]=4 351 B15R0.70 NCCCCCCCCCCCCCCN MCULE-7594246043 [1,1,0,0,0,0|1,0,1]=4 352 B15R0.70 NCCCCCCCCCCCCCCO MCULE-2816059720 [1,1,0,0,0,0|0,0,1]=3 353 B15R0.70 OCCCCCCCCCCCCCCBr MCULE-7763469638 [1,1,0,0,0,0|0,0,1]=3 354 B15R0.70 OCCCCCCCCCCCCCCO MCULE-9200527284 [1,1,0,0,0,0|0,0,1]=3 355 B15R0.70 [NH2+](CCC)CCCCCCCCCCCC MCULE-4353484799 [1,1,0,0,0,0|1,0,1]=4 356 B15R0.70 [NH2+](CCCC)CCCCCCCCCCC MCULE-8141295559 [1,1,0,0,0,0|1,0,1]=4 357 B15R0.81 CCCCCCCCCCCCC(Br)CBr MCULE-7936527323 [1,1,0,0,0,0|1,0,1]=4 358 B15R0.81 CCCCCCCCCCCCC(C)C=O MCULE-8588140296 [1,1,0,0,0,0|0,0,0]=2 359 B15R0.81 CCCCCCCCCCCCC(C)CO MCULE-6702247896 [1,1,0,0,0,0|0,0,1]=3 360 B15R0.81 CCCCCCCCCCCCC(Cl)CCl MCULE-4718867639 [1,1,0,0,0,0|1,0,1]=4 361 B15R0.81 CCCCCCCCCCCCC(O)CN MCULE-9092341179 [1,1,0,0,0,0|1,0,1]=4 362 B15R0.81 CCCCCCCCCCCCC(O)CO MCULE-4985661381 [1,1,0,0,0,0|0,0,1]=3 363 B15R0.81 CCCCCCCCCCCCC([NH3+])CO MCULE-3619948090 [1,1,0,0,0,0|0,0,1]=3 364 B15R0.81 CCCCCCCCCCCCC([NH3+])CO MCULE-8988712408 [1,1,0,0,0,0|0,0,1]=3 365 B15R0.81 CCCCCCCCCCOCC(O)CO MCULE-3618364650 [1,1,0,0,0,0|1,0,1]=4 366 B15R0.133 CCCCCCCC(N)CCCCCCC MCULE-9773555979 [1,1,0,0,0,0|1,0,1]=4 367 B15R0.133 CCCCCCCC(O)CCCCCCC MCULE-3401369248 [1,1,0,0,0,0|1,0,1]=4 368 B15R0.149 CCCCCCCCC(O)CCCCCC MCULE-6289717803 [1,1,0,0,0,0|1,0,1]=4 369 B15R0.2002 CCCCCCCCCCC(C)CCCC MCULE-1362110076 [1,1,0,0,0,0|1,0,1]=4 370 B15R0.69 C=C(C)CC(C)CCCCCCCCCC MCULE-9735141948 [1,1,0,0,0,0|2,0,0]=4 371 B15R0.69 CCCCCCCCCCC(C)CC(=O)O MCULE-3804531187 [1,1,0,0,0,0|0,0,0]=2 372 B15R0.69 CCCCCCCCCCC(O)CC(=O)O MCULE-6799084773 [1,1,0,0,0,0|0,0,0]=2 373 B15R0.84 CCCCCCCCCCCC(C)C(=O)O MCULE-5954675605 [1,1,0,0,0,0|0,0,0]=2 374 B15R0.88 CCCCCCCCCC(=O)NCC(=O)O MCULE-9009743421 [1,1,0,0,0,0|1,0,1]=4 375 B15R0.88 CCCCCCCCNC(=O)CCC(=O)O MCULE-1258129661 [1,1,0,0,0,0|1,0,1]=4 376 B15R0.88 CCCCCCCCOC(=O)CCC(=O)O MCULE-4799004845 [1,1,0,0,0,0|1,0,1]=4 377 B15R0.111 CCOC(=O)CCCCCCCCC(=O)O MCULE-2428773430 [1,1,0,0,0,0|1,0,1]=4 378 B15R0.129 CCCCCCCC(=O)NCCCC(=O)O MCULE-5369086350 [1,1,0,0,0,0|1,0,1]=4 379 B15R0.129 CCCCCCCC(O)CCCCC(=O)O MCULE-3086004434 [1,1,0,0,0,0|0,0,0]=2 380 B15R0.193 CCCCCCC(=O)CCCCCC(=O)O MCULE-2666903083 [1,1,0,0,0,0|0,0,1]=3 381 B15R0.193 CCCCCCC(O)CCCCCC(=O)O MCULE-9789061912 [1,1,0,0,0,0|0,0,0]=2 382 B15R0.222 CC(=O)CCCCCCCCCCC(=O)O MCULE-8079792928 [1,1,0,0,0,0|0,0,1]=3 383 B15R0.222 CC(C)CCCCCCCCCCC(=O)O MCULE-7115259280 [1,1,0,0,0,0|0,0,0]=2 384 B15R0.222 CC(O)CCCCCCCCCCC(=O)O MCULE-4292387921 [1,1,0,0,0,0|0,0,0]=2 385 B15R0.222 O=C(O)CCCCCCCCCCC(=O)O MCULE-1359972581 [1,1,0,0,0,0|1,0,1]=4 386 B15R0.222 O=C(O)CCCCCCCCCCC(=O)O MCULE-6168408668 [1,1,0,0,0,0|1,0,1]=4 387 B15R0.234 CCCCCC(=O)CCCCCCC(=O)O MCULE-6960063747 [1,1,0,0,0,0|0,0,1]=3 388 B15R0.234 CCCCCC(=O)NCCCCCC(=O)O MCULE-3148394051 [1,1,0,0,0,0|1,0,1]=4 389 B15R0.247 CCC(C)CCCCCCCCCC(=O)O MCULE-8493403779 [1,1,0,0,0,0|0,0,0]=2 390 B15R0.247 COC(=O)CCCCCCCCCC(=O)O MCULE-6347713742 [1,1,0,0,0,0|1,0,1]=4 391 B15R0.252 CCCCCCCCCCCCN(=O)(C)C MCULE-8984989718 [1,1,0,0,0,0|2,0,0]=4 392 B15R0.252 CCCCCCCCCCCCP(=O)(C)C MCULE-6635022490 [1,1,0,0,0,0|2,0,0]=4 393 B15R0.252 CCCCCCCCCCCCP(=O)(O)O MCULE-4386293340 [1,1,0,0,0,0|1,0,0]=3 394 B15R0.252 CCCCCCCCCCCCS(=O)(=O)Cl MCULE-1364603769 [1,1,0,0,0,0|1,0,1]=4 395 B15R0.252 CCCCCCCCCCCCS(=O)(=O)N MCULE-3829448149 [1,1,0,0,0,0|1,0,1]=4 396 B15R0.252 CCCCCCCCCCCCS(=O)(=O)O MCULE-2609476147 [1,1,0,0,0,0|1,0,0]=3 397 B15R0.252 CCCCCCCCCCCCS(=O)(=O)[O-] MCULE-8547025937 [1,1,0,0,0,0|1,0,1]=4 398 B15R0.252 O=P(O)(O)CCCCCCCCCCCO MCULE-5197305558 [1,1,0,0,0,0|2,0,0]=4 399 B15R0.252 O=P(O)(O)CCCCCCCCCCCS MCULE-3559004156 [1,1,0,0,0,0|2,0,0]=4 400 B17R0.3299 CCC(C)C(O)CCCCCCCCCC(=O)O MCULE-9922141465 [0,2,0,0,0,0|0,0,0]=2 401 B17R0.256 CCCC(=O)CCCCCCCCCCC(=O)O MCULE-2951365808 [0,2,0,0,0,0|0,0,0]=2 402 B17R0.256 CCCC(O)CCCCCCCCCCC(=O)O MCULE-9353561307 [0,2,0,0,0,0|0,0,0]=2 403 B17R0.256 CCOC(=O)CCCCCCCCCCC(=O)O MCULE-9380859811 [0,2,0,0,0,0|0,0,1]=3 404 B17R0.1705 CC(O)C(C)CCCCCCCCCCC(=O)O MCULE-3933753194 [0,2,0,0,0,0|0,0,0]=2 405 B17R0.11645 CCC(C)CCCCCCCCCCC(=O)OC MCULE-3104048083 [0,2,0,0,0,0|0,0,0]=2 406 B17R0.11645 COC(=O)CCCCCCCCCCC(=O)OC MCULE-2179521248 [0,2,0,0,0,0|1,0,1]=4 407 B17R0.12652 CCC(C)(O)CCCCCCCCCCC(=O)O MCULE-8447021751 [0,2,0,0,0,0|0,0,0]=2 408 B17R0.78 CCCCCCCC(=O)CCCCCCC(=O)O MCULE-7169706634 [0,2,0,0,0,0|0,0,0]=2 409 B17R0.78 CCCCCCCC(=O)NCCCCCC(=O)O MCULE-5659315671 [0,2,0,0,0,0|0,0,1]=3 410 B17R0.78 CCCCCCCC(=O)NCCCCCC(=O)[O-] MCULE-7862819548 [0,2,0,0,0,0|0,0,2]=4 411 B17R0.78 CCCCCCCC(O)CCCCCCC(=O)O MCULE-7939156653 [0,2,0,0,0,0|0,0,0]=2 412 B17R0.195 CCCCC=CCCCCCCCCC(=O)OC MCULE-1513743756 [0,2,0,0,0,0|0,0,1]=3 413 B17R0.195 CCCCCCCCCCCCCCC(=NO)C MCULE-2159182766 [0,2,0,0,0,0|1,0,0]=3 414 B17R0.195 CCCCCCCCCCCCCCC(=O)CBr MCULE-8800475521 [0,2,0,0,0,0|1,0,0]=3 415 B17R0.195 CCCCCCCCCCCCCCC(=O)OC MCULE-6875676125 [0,2,0,0,0,0|0,0,0]=2 416 B17R0.195 CCCCCCCCCCCCCCC(N)CO MCULE-1144393791 [0,2,0,0,0,0|1,0,1]=4 417 B17R0.195 CCCCCCCCCCCCCCC(N)CO MCULE-5825082970 [0,2,0,0,0,0|1,0,1]=4 418 B17R0.195 CCCCCCCCCCCCCCC(O)CN MCULE-9897370432 [0,2,0,0,0,0|1,0,1]=4 419 B17R0.195 CCCCCCCCCCCCCCC(O)CO MCULE-2636575508 [0,2,0,0,0,0|0,0,2]=4 420 B17R0.195 CCCCCCCCCCCCCC[C@@H](O)CO MCULE-3808241334 [0,2,0,0,0,0|0,0,2]=4 421 B17R0.195 CCCCCCCCCCCCCC[C@H](O)CO MCULE-8633813799 [0,2,0,0,0,0|0,0,2]=4 422 B17R0.195 CCCCCCCCCCCCOCC(O)CO MCULE-5273465880 [0,2,0,0,0,0|0,0,2]=4 423 B17R0.195 NNC(=O)CCCCCCCCCCOCCO MCULE-9137674819 [0,2,0,0,0,0|2,0,0]=4 424 B17R0.250 C=COC(=O)CCCCCCCCCCCCC MCULE-1838888228 [0,2,0,0,0,0|0,0,0]=2 425 B17R0.250 CCCCCCCCCCCCCC(=O)CCC MCULE-6440839574 [0,2,0,0,0,0|1,0,0]=3 426 B17R0.250 CCCCCCCCCCCCCC(=O)OCC MCULE-3516792445 [0,2,0,0,0,0|0,0,0]=2 427 B17R0.250 CCCCCCCCCCCCCC(=O)OCCl MCULE-7381476592 [0,2,0,0,0,0|0,0,0]=2 428 B17R0.250 CCCCCCCCCCCCNC(=O)CCC MCULE-6235043360 [0,2,0,0,0,0|2,0,0]=4 429 B17R0.3112 CCCCCCCCCCCCC(Br)C(=O)OC MCULE-6263485417 [0,2,0,0,0,0|0,0,0]=2 430 B17R0.3112 CCCCCCCCCCCCC(O)C(=O)OC MCULE-5317761909 [0,2,0,0,0,0|0,0,0]=2 431 B17R0.8798 CCCCCCCCNC(=O)CCCC(=O)OC MCULE-5612273411 [0,2,0,0,0,0|1,0,1]=4 432 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)OC MCULE-5072075224 [0,2,0,0,0,0|0,0,1]=3 433 B17R0.13601 CCCCCCCCCCCC(O)CC(=O)OC MCULE-8000367288 [0,2,0,0,0,0|0,0,0]=2 434 B17R0.13601 CCCCCCCCCCC[C@@H](O)CC(=O)OC MCULE-1368847603 [0,2,0,0,0,0|0,0,0]=2 435 B17R0.13601 CCCCCCCCCCC[C@@H](O)CC(=O)OC MCULE-8476674429 [0,2,0,0,0,0|0,0,0]=2 436 B17R0.13601 CCCCCCCCCCC[C@H](O)CC(=O)OC MCULE-3225151626 [0,2,0,0,0,0|0,0,0]=2 437 B17R0.14245 C=C(C)C(=O)NCCCCCCCCCCCC MCULE-5195398178 [0,2,0,0,0,0|2,0,0]=4 438 B17R0.14245 C=C(C)C(=O)OCCCCCCCCCCCC MCULE-1325716455 [0,2,0,0,0,0|2,0,0]=4 439 B17R0.14245 CCCCCCCCCCCCCC(C)C(=O)O MCULE-3254150931 [0,2,0,0,0,0|0,0,0]=2 440 B17R0.14245 CCCCCCCCCCCCOC(=O)C(C)C MCULE-4750784105 [0,2,0,0,0,0|2,0,0]=4 441 B17R0.14245 CCCCCCCCCCCCOC(=O)C(C)O MCULE-6419399022 [0,2,0,0,0,0|1,0,0]=3 442 B17R0.14363 CCC(C)CCCCC/C=C\CCCCC(=O)O MCULE-7592205580 [0,2,0,0,0,0|0,0,1]=3 443 B17R0.14363 COC(=O)CCCCCCCCCCCC(C)C MCULE-7567240413 [0,2,0,0,0,0|0,0,0]=2 444 B17R0.14363 COC(=O)CCCCCCCCCCCN(=O)=O MCULE-6283066513 [0,2,0,0,0,0|2,0,0]=4 445 B17R0.188 CCCCCCCCCCCCC(CC)C(=O)O MCULE-6250500238 [0,2,0,0,0,0|0,0,0]=2 446 B17R0.3111 CCCCCCCCOC(=O)CC[C@@H](N)C(=O)O MCULE-6280043767 [0,2,0,0,0,0|1,0,1]=4 447 B17R0.3111 CCCCCCCCOC(=O)CC[C@H](N)C(=O)O MCULE-1512829234 [0,2,0,0,0,0|1,0,1]=4 448 B17R0.43 C#CCCCCC=CCCCCCCCC(=O)O MCULE-1049304823 [0,2,0,0,0,0|0,0,2]=4 449 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O MCULE-4134557983 [0,2,0,0,0,0|0,0,0]=2 450 B17R0.43 C(=C\CCCCCCCC(=O)O)\CCCCCC MCULE-4164601038 [0,2,0,0,0,0|0,0,0]=2 451 B17R0.43 C/C=C/CCCCCCCCCCCOC(=O)C MCULE-7955168231 [0,2,0,0,0,0|1,0,1]=4 452 B17R0.43 C/C=C\CCCCCCCCCCCOC(=O)C MCULE-7310879607 [0,2,0,0,0,0|1,0,1]=4 453 B17R0.43 C=C(C)CCCCCCCCCCCCCCC MCULE-5834819134 [0,2,0,0,0,0|2,0,0]=4 454 B17R0.43 C=CCCCCCCCCCCCCCC(=O)O MCULE-8140028401 [0,2,0,0,0,0|0,0,0]=2 455 B17R0.43 CC/C=C/CCCCCCCCCCOC(=O)C MCULE-2310057958 [0,2,0,0,0,0|1,0,1]=4 456 B17R0.43 CC/C=C\CCCCCCCCCCOC(=O)C MCULE-7183538783 [0,2,0,0,0,0|1,0,1]=4 457 B17R0.43 CC=CCCCCCCCCCCCOC(=O)C MCULE-4294509038 [0,2,0,0,0,0|1,0,1]=4 458 B17R0.43 CCC=CCCCCCCCCCCOC(=O)C MCULE-2778068630 [0,2,0,0,0,0|1,0,1]=4 459 B17R0.43 CCCCC=CCCCCCCCCCC(=O)O MCULE-1066074154 [0,2,0,0,0,0|0,0,0]=2 460 B17R0.43 CCCCC=CCCCCCCCCOC(=O)C MCULE-7849945627 [0,2,0,0,0,0|1,0,1]=4 461 B17R0.43 CCCCCC/C=C/CCCCCCCC(=O)O MCULE-7392284639 [0,2,0,0,0,0|0,0,0]=2 462 B17R0.43 CCCCCCC=CCCCCCCCC(=O)Cl MCULE-6281700163 [0,2,0,0,0,0|1,0,0]=3 463 B17R0.43 CCCCCCC=CCCCCCCCC(=O)N MCULE-8315425906 [0,2,0,0,0,0|1,0,0]=3 464 B17R0.43 CCCCCCC=CCCCCCCCC(=O)O MCULE-1221038996 [0,2,0,0,0,0|0,0,0]=2 465 B17R0.43 CCCCCCC=CCCCCCCCC(=O)[O-] MCULE-3270578280 [0,2,0,0,0,0|0,0,1]=3 466 B17R0.43 CCCCCCCCC#CC#CCCCC(=O)O MCULE-1066730588 [0,2,0,0,0,0|0,0,2]=4 467 B17R0.43 CCCCCCCCC/C=C\CCCCC(=O)O MCULE-5806437824 [0,2,0,0,0,0|0,0,0]=2 468 B17R0.43 CCCCCCCCC/C=C\CCCCC(=O)[O-] MCULE-6515937092 [0,2,0,0,0,0|0,0,1]=3 469 B17R0.43 CCCCCCCCC=CCCCCCC(=O)O MCULE-9907029105 [0,2,0,0,0,0|0,0,0]=2 470 B17R0.43 CCCCCCCCCC=CCCCCC(=O)O MCULE-6678867297 [0,2,0,0,0,0|0,0,0]=2 471 B17R0.43 CCCCCCCCCC=CCCCCC(=O)[O-] MCULE-8329798146 [0,2,0,0,0,0|0,0,1]=3 472 B17R0.43 CCCCCCCCCCCCC/C=C/C(=O)O MCULE-9949483894 [0,2,0,0,0,0|0,0,0]=2 473 B17R0.43 CCCCCCCCCCCCC=CCC(=O)O MCULE-7063165347 [0,2,0,0,0,0|0,0,0]=2 474 B17R0.43 CCCCCCCCCCCCCC=CC(=O)O MCULE-1309002877 [0,2,0,0,0,0|0,0,0]=2 475 B17R0.43 CCCCCCCCCCCCCCCC(=O)C MCULE-2820432182 [0,2,0,0,0,0|1,0,0]=3 476 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl MCULE-2299274236 [0,2,0,0,0,0|1,0,0]=3 477 B17R0.43 CCCCCCCCCCCCCCCC(=O)N MCULE-9133427571 [0,2,0,0,0,0|1,0,0]=3 478 B17R0.43 CCCCCCCCCCCCCCCC(=O)O MCULE-1361949901 [0,2,0,0,0,0|0,0,0]=2 479 B17R0.43 CCCCCCCCCCCCCCCC(=O)S MCULE-8215136457 [0,2,0,0,0,0|0,1,0]=3 480 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-2906724981 [0,2,0,0,0,0|0,0,1]=3 481 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-3645136442 [0,2,0,0,0,0|0,0,1]=3 482 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-9097304670 [0,2,0,0,0,0|0,0,1]=3 483 B17R0.43 CCCCCCCCCCCCCCCC(C)O MCULE-4314680622 [0,2,0,0,0,0|1,0,1]=4 484 B17R0.43 CCCCCCCCCCCCCCOC(=O)C MCULE-9791397433 [0,2,0,0,0,0|1,0,0]=3 485 B17R0.43 CCCCCCCCCCCCNCCC(=O)O MCULE-6849446767 [0,2,0,0,0,0|0,0,0]=2 486 B17R0.43 CCCCCCCCCCCCSCCC(=O)N MCULE-2326780267 [0,2,0,0,0,0|1,0,0]=3 487 B17R0.43 CCCCCCCCCCCCSCCC(=O)O MCULE-1413456430 [0,2,0,0,0,0|0,0,0]=2 488 B17R0.43 CCCCCCCCSCCCCCCC(=O)O MCULE-3418202255 [0,2,0,0,0,0|0,0,0]=2 489 B17R0.43 NCCCCCCCCCCCCCCC(=O)O MCULE-8397983958 [0,2,0,0,0,0|0,0,0]=2 490 B17R0.43 O=C(O)CCCCCCCCCCCCCCBr MCULE-4704611362 [0,2,0,0,0,0|0,0,0]=2 491 B17R0.43 O=C(O)CCCCCCCCCCCCCCO MCULE-9603867941 [0,2,0,0,0,0|0,0,0]=2 492 B17R0.116 C=C(C)CC(C)CCCCCCCCCCCC MCULE-6821563173 [0,2,0,0,0,0|2,0,0]=4 493 B17R0.116 CCCCCCCCCCCOC(=O)CC(=O)C MCULE-7110064872 [0,2,0,0,0,0|1,0,1]=4 494 B17R0.139 CCCCCCC(=O)CCCCCCCC(=O)O MCULE-6444361858 [0,2,0,0,0,0|0,0,0]=2 495 B17R0.139 CCCCCCC(O)CCCCCCCC(=O)O MCULE-7282521786 [0,2,0,0,0,0|0,0,0]=2 496 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)O MCULE-6143868562 [0,2,0,0,0,0|0,0,1]=3 497 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)[O-] MCULE-5889398964 [0,2,0,0,0,0|0,0,2]=4 498 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)O MCULE-7840259089 [0,2,0,0,0,0|0,0,1]=3 499 B17R0.197 CCCCCCCCCCCCCCC(C)(C)O MCULE-2166606818 [0,2,0,0,0,0|1,0,1]=4 500 B17R0.197 CCCCCCCCCCCCCCN(=O)(C)C MCULE-3156806835 [0,2,0,0,0,0|2,0,0]=4 501 B17R0.197 CCCCCCCCCCCCCCP(=O)(C)C MCULE-8360621046 [0,2,0,0,0,0|2,0,0]=4 502 B17R0.197 CCCCCCCCCCCCCCP(=O)(O)O MCULE-4571824808 [0,2,0,0,0,0|1,0,0]=3 503 B17R0.197 CCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-2130157408 [0,2,0,0,0,0|1,0,1]=4 504 B17R0.197 CCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-2309434065 [0,2,0,0,0,0|1,0,1]=4 505 B17R0.197 CCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-6601401599 [0,2,0,0,0,0|1,0,1]=4 506 B17R0.197 CCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-9455261518 [0,2,0,0,0,0|1,0,1]=4 507 B17R0.1713 CC(=O)CCCCCCCCCCCCC(=O)C MCULE-2549585763 [0,2,0,0,0,0|1,0,0]=3 508 B17R0.1713 CC(=O)CCCCCCCCCCCCC(C)O MCULE-7245064176 [0,2,0,0,0,0|1,0,0]=3 509 B17R0.1713 CC(C)CCCCCCC=CCCCCC(=O)O MCULE-6535472157 [0,2,0,0,0,0|0,0,1]=3 510 B17R0.1713 CC(C)CCCCCCCCCCCCC(=O)O MCULE-2401625440 [0,2,0,0,0,0|0,0,0]=2 511 B17R0.1713 NC(=O)CCCCCCCCCCCCC(=O)N MCULE-9876010340 [0,2,0,0,0,0|1,0,1]=4 512 B17R0.1713 O=C(O)CCCCCCCCCCCCC(=O)O MCULE-4147611614 [0,2,0,0,0,0|0,0,1]=3 513 B17R0.8801 CCCCCCCCCC(=O)CCCCC(=O)O MCULE-8828861735 [0,2,0,0,0,0|0,0,0]=2 514 B17R0.8801 CCCCCCCCCC(O)CCCCC(=O)O MCULE-5501959746 [0,2,0,0,0,0|0,0,0]=2 515 B17R0.5683 CCCCCCCCOC(=O)C(O)CCC(=O)O MCULE-9608265580 [0,2,0,0,0,0|1,0,1]=4 516 B17R0.5683 CCCCCCCCOC(=O)[C@@H](O)CCC(=O)O MCULE-2578937676 [0,2,0,0,0,0|1,0,1]=4 517 B17R0.5683 CCCCCCCCOC(=O)[C@@H](O)CCC(=O)O MCULE-3904150578 [0,2,0,0,0,0|1,0,1]=4 518 B17R0.5683 CCCCCCCCOC(=O)[C@H](O)CCC(=O)O MCULE-2296852683 [0,2,0,0,0,0|1,0,1]=4 519 B17R0.5683 CCCCCCCCOC(=O)[C@H](O)CCC(=O)O MCULE-6362894300 [0,2,0,0,0,0|1,0,1]=4 520 B17R0.1620 CC(C)(C)CCCCCCCCCCCC(=O)O MCULE-2529831580 [0,2,0,0,0,0|0,0,0]=2 521 B17R0.1620 CS(=O)(=O)NCCCCCCCCCCC(=O)O MCULE-9772792663 [0,2,0,0,0,0|2,0,0]=4 522 B17R0.793 CCCCCCCCS(=O)(=O)CCCCC(=O)O MCULE-6116815392 [0,2,0,0,0,0|1,0,0]=3 523 B17R0.793 CCCCCCCCS(=O)(=O)NCCCC(=O)O MCULE-6012769559 [0,2,0,0,0,0|2,0,0]=4 524 B17R0.12411 CCCCCCCCCCS(=O)(=O)NCC(=O)O MCULE-8796896939 [0,2,0,0,0,0|2,0,0]=4 525 B15R1.35 CCCCCCCCCC1CCCCC1 MCULE-5301866570 [1,0,0,1,0,0|1,0,1]=4 526 B15R1.1137 CC1CCCCCCCCCCC1=NO MCULE-6613265618 [1,0,0,1,0,0|1,0,1]=4 527 B15R1.2988 C1CCCCCCCCCCCCCC1 MCULE-3080496617 [1,0,0,1,0,0|1,0,1]=4 528 B15R1.3873 O=CC=C1CCCCCCCCCCC1 MCULE-6238507819 [1,0,0,1,0,0|0,0,2]=4 529 B15R1.6595 O=C1CCCCCCCCCCCCO1 MCULE-3692667490 [1,0,0,1,0,0|1,0,0]=3 530 B15R1.9199 CCCCCCCCCCCCC1CO1 MCULE-3903930495 [1,0,0,1,0,0|0,0,1]=3 531 B15R1.106 CCCCCCCCC1CCCC(=O)O1 MCULE-2792905042 [1,0,0,1,0,0|0,0,0]=2 532 B15R1.9036 CC(=O)C1CCCCCCCCCCC1 MCULE-4234840248 [1,0,0,1,0,0|1,0,0]=3 533 B15R1.9036 CC(O)C1CCCCCCCCCCC1 MCULE-1492159679 [1,0,0,1,0,0|1,0,1]=4 534 B17R1.103818 NC(CCCCCC(=O)O)C1CCCCCC1 MCULE-5676666596 [0,1,0,1,0,0|0,0,0]=2 535 B17R1.103818 NC(CCCCCC(=O)O)C1CCCCCC1 MCULE-8366858104 [0,1,0,1,0,0|0,0,0]=2 536 B17R1.451 O=C(O)CCCCCCNC1CCCCC1O MCULE-9633666775 [0,1,0,1,0,0|1,0,0]=3 537 B17R1.94449 CC1COC(=O)CCCCCCCCC(=O)O1 MCULE-9793938299 [0,1,0,1,0,0|1,0,1]=4 538 B17R1.679 O=C(O)CCCCCCC(=O)C1CCCCC1 MCULE-3460196722 [0,1,0,1,0,0|0,0,1]=3 539 B17R1.11 CCCCCCCCCCC1CCC(=O)CC1 MCULE-6921542760 [0,1,0,1,0,0|1,0,0]=3 540 B17R1.444 O=C1CCCCCCCCCCCCCC1O MCULE-8613374918 [0,1,0,1,0,0|0,0,0]=2 541 B17R1.5249 CCCCCCCCCCCCC1CCC1=O MCULE-7126495482 [0,1,0,1,0,0|1,0,0]=3 542 B17R1.11298 O=C1CCCC=CCCCCCCCCCC1 MCULE-1430680475 [0,1,0,1,0,0|1,0,1]=4 543 B17R1.11298 O=C1CCCC=CCCCCCCCCCC1 MCULE-8227436556 [0,1,0,1,0,0|1,0,1]=4 544 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 MCULE-2237516421 [0,1,0,1,0,0|0,0,0]=2 545 B17R1.27002 ON=C1CCCCCCCCCCCCCC1 MCULE-3556616768 [0,1,0,1,0,0|1,0,0]=3 546 B17R1.29208 CCCCCCCCCCC1=C(C(=O)CC1)O MCULE-1505405497 [0,1,0,1,0,0|0,0,1]=3 547 B17R1.180031 CCC(=O)NC1CCCCCCCCCCC1 MCULE-6908979958 [0,1,0,1,0,0|2,0,0]=4 548 B17R1.180031 O=C(CCl)NC1CCCCCCCCCCC1 MCULE-2846108027 [0,1,0,1,0,0|2,0,0]=4 549 B17R1.11267 CC1CCCCCCCCCCCCC(=O)C1 MCULE-6947527863 [0,1,0,1,0,0|1,0,0]=3 550 B17R1.11267 C[C@@H]1CCCCCCCCCCCCC(=O)C1 MCULE-5431997913 [0,1,0,1,0,0|1,0,0]=3 551 B17R1.16233 O=C(O)CCC1CCCCCCCCCCC1 MCULE-2797848894 [0,1,0,1,0,0|0,0,0]=2 552 B17R1.29093 CCCCCCCCCCCCCCC1CO1 MCULE-4791898371 [0,1,0,1,0,0|1,0,1]=4 553 B17R1.29093 CCCCCCCCCCCCOCC1CO1 MCULE-5256966261 [0,1,0,1,0,0|1,0,1]=4 554 B17R1.103115 O=C(O)CCCC(=O)NC1CCCCCCC1 MCULE-5082100014 [0,1,0,1,0,0|1,0,1]=4 555 B17R2.38932 O=C1C=C2CCCCCCCCCC(C1)C2 MCULE-7295998117 [0,0,0,2,0,0|1,0,1]=4 556 B17R2.291558 O=C(O)CSCC1CCCN2C1CCCC2 MCULE-3128740665 [0,0,0,2,0,0|2,0,0]=4 557 B17R2.291558 O=C(O)CSCC1CCCN2C1CCCC2 MCULE-3182815199 [0,0,0,2,0,0|2,0,0]=4 558 B17R2.291558 O=C(O)CSC[C@@H]1CCCN2C1CCCC2 MCULE-1399906977 [0,0,0,2,0,0|2,0,0]=4 559 B17R2.291558 O=C(O)CSC[C@@H]1CCCN2C1CCCC2 MCULE-2910548951 [0,0,0,2,0,0|2,0,0]=4 560 B17R2.291558 [C@H]12CCCCN1CCC[C@H]2CSCC(=O)O MCULE-4989866041 [0,0,0,2,0,0|2,0,0]=4 561 B17R2.291558 [C@H]12CCCCN1CCC[C@H]2CSCC(=O)O MCULE-7884729644 [0,0,0,2,0,0|2,0,0]=4 562 B17R2.254747 O=C1NCCCCCCNC2C1CCCC2 MCULE-1714348468 [0,0,0,2,0,0|2,0,0]=4 563 B17R2.254747 O=C1NCCCCCCN[C@@H]2[C@H]1CCCC2 MCULE-6259990936 [0,0,0,2,0,0|2,0,0]=4 564 B17R2.451771 C1CCCCCCC2OC2CCCCCC1 MCULE-1064436620 [0,0,0,2,0,0|1,0,1]=4