0 B16R0.1188 CCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-1966618277 [0,0,0,0,0,0|1,0,1]=2 1 B16R0.1188 CCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-3533610819 [0,0,0,0,0,0|1,0,1]=2 2 B16R0.1188 CCCCCCCCCCCCOC(C)(C)C MCULE-9323140727 [0,0,0,0,0,0|4,0,0]=4 3 B16R0.1188 CCCCCCCCCCCCOP(=O)(O)O MCULE-1145207013 [0,0,0,0,0,0|1,0,1]=2 4 B16R0.1188 CCCCCCCCCCCCOP(=O)(O)O MCULE-3170213829 [0,0,0,0,0,0|1,0,1]=2 5 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O MCULE-8121446012 [0,0,0,0,0,0|0,0,0]=0 6 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-3052507378 [0,0,0,0,0,0|0,0,1]=1 7 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-3252821110 [0,0,0,0,0,0|0,0,1]=1 8 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-5057320966 [0,0,0,0,0,0|0,0,1]=1 9 B16R0.1188 O=P(O)(O)CCCCCCCCCCCCS MCULE-8515448412 [0,0,0,0,0,0|3,0,1]=4 10 B16R0.1188 O=P(O)(O)OCCCCCCCCCCCS MCULE-9687351996 [0,0,0,0,0,0|2,0,1]=3 11 B15R0.164 CCCCCCCCCCCCCC(=O)C MCULE-8350749092 [1,0,0,0,0,0|3,0,0]=4 12 B15R0.164 CCCCCCCCCCCCCC(=O)Cl MCULE-2497488642 [1,0,0,0,0,0|3,0,0]=4 13 B15R0.164 CCCCCCCCCCCCCC(=O)N MCULE-5753717982 [1,0,0,0,0,0|3,0,0]=4 14 B15R0.164 CCCCCCCCCCCCCC(=O)O MCULE-9671122893 [1,0,0,0,0,0|2,0,0]=3 15 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] MCULE-6783279487 [1,0,0,0,0,0|2,0,1]=4 16 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] MCULE-7103790332 [1,0,0,0,0,0|2,0,1]=4 17 B15R0.164 CCCCCCCCCCCCNC(=O)C MCULE-9415436236 [1,0,0,0,0,0|3,0,0]=4 18 B15R0.164 CCCCCCCCCCCCNC(=O)N MCULE-2832774647 [1,0,0,0,0,0|3,0,0]=4 19 B15R0.164 CCCCCCCCCCCCOC(=O)C MCULE-2488215593 [1,0,0,0,0,0|2,0,0]=3 20 B15R0.164 CCCCCCCCCCCCOC(=O)Cl MCULE-1341492119 [1,0,0,0,0,0|2,0,0]=3 21 B15R0.164 CCCCCCCCCCCCOC(=S)[S-] MCULE-2395943543 [1,0,0,0,0,0|1,2,0]=4 22 B15R0.164 CCCCCCCCCCCCOC(=S)[S-] MCULE-5871678815 [1,0,0,0,0,0|1,2,0]=4 23 B15R0.164 CCCCCCCCCCCOCC(=O)O MCULE-2338877776 [1,0,0,0,0,0|3,0,0]=4 24 B15R0.164 CCCCCCCCCCCSCC(=O)O MCULE-3362261921 [1,0,0,0,0,0|3,0,0]=4 25 B15R0.164 CCCCCCCCCCNCCC(=O)O MCULE-4890771155 [1,0,0,0,0,0|3,0,0]=4 26 B15R0.164 CCCCCCCCCCNCCC(=O)O MCULE-9733002368 [1,0,0,0,0,0|3,0,0]=4 27 B15R0.164 CCCCCCCCCCOCCC(=O)O MCULE-9683464566 [1,0,0,0,0,0|3,0,0]=4 28 B15R0.164 CCCCCCCCCCSCCC(=O)O MCULE-4853340553 [1,0,0,0,0,0|3,0,0]=4 29 B15R0.164 CCCCCCCCSCCCCC(=O)O MCULE-1196712745 [1,0,0,0,0,0|3,0,0]=4 30 B15R0.164 CCCCCCCSCCCCCC(=O)O MCULE-9410938289 [1,0,0,0,0,0|3,0,0]=4 31 B15R0.164 CCCOCCCCCCCCCC(=O)O MCULE-6540084862 [1,0,0,0,0,0|3,0,0]=4 32 B15R0.164 CNCCCCCCCCCCCC(=O)O MCULE-3869239649 [1,0,0,0,0,0|3,0,0]=4 33 B15R0.164 O=C(O)CCCCCCCCCCCCBr MCULE-2321032418 [1,0,0,0,0,0|3,0,0]=4 34 B15R0.164 O=C(O)CCCCCCCCCCCCO MCULE-3086618486 [1,0,0,0,0,0|3,0,0]=4 35 B15R0.164 O=N(=O)CCCCCCCCCCCCBr MCULE-4250276660 [1,0,0,0,0,0|3,0,0]=4 36 B15R0.164 O=N(=O)CCCCCCCCCCCCO MCULE-2840091029 [1,0,0,0,0,0|3,0,0]=4 37 B15R0.252 CCCCCCCCCCCCN(=O)(C)C MCULE-8984989718 [1,0,0,0,0,0|3,0,0]=4 38 B15R0.252 CCCCCCCCCCCCP(=O)(C)C MCULE-6635022490 [1,0,0,0,0,0|3,0,0]=4 39 B15R0.252 CCCCCCCCCCCCP(=O)(O)O MCULE-4386293340 [1,0,0,0,0,0|1,0,1]=3 40 B15R0.252 CCCCCCCCCCCCS(=O)(=O)Cl MCULE-1364603769 [1,0,0,0,0,0|1,0,0]=2 41 B15R0.252 CCCCCCCCCCCCS(=O)(=O)N MCULE-3829448149 [1,0,0,0,0,0|1,0,0]=2 42 B15R0.252 CCCCCCCCCCCCS(=O)(=O)O MCULE-2609476147 [1,0,0,0,0,0|0,0,0]=1 43 B15R0.252 CCCCCCCCCCCCS(=O)(=O)[O-] MCULE-8547025937 [1,0,0,0,0,0|0,0,1]=2 44 B15R0.252 CCCCCCCCCCCOS(=O)(=O)C MCULE-1998014909 [1,0,0,0,0,0|1,0,0]=2 45 B15R0.252 CCCCCCCCCCCOS(=O)(=O)[O-] MCULE-7806053327 [1,0,0,0,0,0|0,0,1]=2 46 B15R0.252 CCCCCCCCCCCOS(=O)(=O)[O-] MCULE-8045056638 [1,0,0,0,0,0|0,0,1]=2 47 B15R0.252 O=P(O)(O)CCCCCCCCCCCO MCULE-5197305558 [1,0,0,0,0,0|2,0,1]=4 48 B15R0.252 O=P(O)(O)CCCCCCCCCCCS MCULE-3559004156 [1,0,0,0,0,0|2,0,1]=4 49 B17R0.197 CCCCCCCCCCCCCCP(=O)(O)O MCULE-4571824808 [0,1,0,0,0,0|2,0,1]=4 50 B17R0.197 CCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-2130157408 [0,1,0,0,0,0|1,0,1]=3 51 B17R0.197 CCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-2309434065 [0,1,0,0,0,0|1,0,1]=3 52 B17R0.197 CCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-6601401599 [0,1,0,0,0,0|0,0,1]=2 53 B17R0.197 CCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-9455261518 [0,1,0,0,0,0|0,0,1]=2 54 B17R0.197 CS(=O)(=O)SCCCCCCCCCCCCN MCULE-7916113152 [0,1,0,0,0,0|1,1,0]=3 55 B17R0.197 CS(=O)(=O)SCCCCCCCCCCCCN MCULE-8768196599 [0,1,0,0,0,0|1,1,0]=3 56 B17R0.8807 CCCCCCCCCC(=O)NCCS(=O)(=O)O MCULE-6222163817 [0,1,0,0,0,0|2,0,1]=4 57 B17R1.29209 CCCCCCCCCOC1CCS(=O)(=O)C1 MCULE-7825741030 [0,0,0,1,0,0|3,0,0]=4 58 B14R0.392 C=COCCCCCCCCCCCC MCULE-1459857080 [2,0,0,0,0,0|2,0,0]=4 59 B14R0.392 CCCCCCCCCCCCCC=O MCULE-7550121675 [2,0,0,0,0,0|2,0,0]=4 60 B14R0.392 CCCCCCCCCCCCCCO MCULE-8719320111 [2,0,0,0,0,0|2,0,0]=4 61 B14R0.392 CCCCCCCCCCCCN=C=O MCULE-6525738732 [2,0,0,0,0,0|2,0,0]=4 62 B14R0.392 CCCCCCCCCCCCNC=O MCULE-2685945212 [2,0,0,0,0,0|2,0,0]=4 63 B14R0.392 CCCCCCCCCCCCOC=O MCULE-6493174878 [2,0,0,0,0,0|1,0,0]=3 64 B14R0.394 CCCCCCCCCCCCB(O)O MCULE-9093678828 [2,0,0,0,0,0|1,0,1]=4 65 B14R0.394 CCCCCCCCCCCCC(=O)C MCULE-2872423248 [2,0,0,0,0,0|2,0,0]=4 66 B14R0.394 CCCCCCCCCCCCC(=O)O MCULE-1430959106 [2,0,0,0,0,0|1,0,0]=3 67 B14R0.394 CCCCCCCCCCCCC(C)O MCULE-1888626759 [2,0,0,0,0,0|2,0,0]=4 68 B14R0.394 CCCCCCCCCCCCN(=O)=O MCULE-5400909349 [2,0,0,0,0,0|1,0,0]=3 69 B14R0.394 CCCCCCCCCCCCS(=O)C MCULE-1846061546 [2,0,0,0,0,0|1,0,1]=4 70 B14R0.394 CCCCCCCCCCCOC(=O)C MCULE-9960804873 [2,0,0,0,0,0|2,0,0]=4 71 B14R0.394 CCCCCCCCCC[NH2+]CC(=O)O MCULE-1390429058 [2,0,0,0,0,0|2,0,0]=4 72 B14R0.394 CCCCCCCCCC[NH2+]CC(=O)O MCULE-7569072874 [2,0,0,0,0,0|2,0,0]=4 73 B14R0.394 NCCCCCCCCCCCC(=O)O MCULE-4152674665 [2,0,0,0,0,0|2,0,0]=4 74 B14R0.394 O=C(O)CCCCCCCCCCCBr MCULE-7401124485 [2,0,0,0,0,0|2,0,0]=4 75 B14R0.394 O=C(O)CCCCCCCCCCCO MCULE-6776936355 [2,0,0,0,0,0|2,0,0]=4 76 B14R0.394 O=C(O)CCCCCCCCCCCS MCULE-7711860322 [2,0,0,0,0,0|2,0,0]=4 77 B14R0.394 O=N(=O)CCCCCCCCCCCO MCULE-8940789390 [2,0,0,0,0,0|2,0,0]=4 78 B14R0.88 CCCCCCCCCCCP(=O)(O)O MCULE-1217279150 [2,0,0,0,0,0|1,0,1]=4 79 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] MCULE-3066318526 [2,0,0,0,0,0|0,0,1]=3 80 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] MCULE-7737058858 [2,0,0,0,0,0|0,0,1]=3 81 B14R0.88 CCCCCCCCCCOP(=O)(O)O MCULE-6182561553 [2,0,0,0,0,0|1,0,1]=4 82 B14R0.88 CCCCCCCCCCOP(=O)([O-])O MCULE-7698287185 [2,0,0,0,0,0|1,0,1]=4 83 B14R0.88 CCCCCCCCCCOS(=O)(=O)O MCULE-5411467830 [2,0,0,0,0,0|0,0,0]=2 84 B14R0.88 CCCCCCCCCCOS(=O)(=O)[O-] MCULE-7216166437 [2,0,0,0,0,0|0,0,1]=3 85 B16R0.41 CCCC(O)CCCCCCCCCC(=O)O MCULE-1937957199 [1,1,0,0,0,0|2,0,0]=4 86 B16R0.131 CCCCC(O)CCCCCCCCC(=O)O MCULE-5323254369 [1,1,0,0,0,0|2,0,0]=4 87 B16R0.165 CCC(C)CCCCCCCCCCC(=O)O MCULE-7822234238 [1,1,0,0,0,0|2,0,0]=4 88 B16R0.165 CC[C@@H](C)CCCCCCCCCCC(=O)O MCULE-6272236651 [1,1,0,0,0,0|2,0,0]=4 89 B16R0.177 CCCCCCC(O)CCCCCCC(=O)O MCULE-5389070847 [1,1,0,0,0,0|2,0,0]=4 90 B16R0.221 C=CC(=O)OCCCCCCCCCCCC MCULE-2937609730 [1,1,0,0,0,0|2,0,0]=4 91 B16R0.221 CCCCCCCCCCCCCC(=O)OC MCULE-3729213959 [1,1,0,0,0,0|2,0,0]=4 92 B16R0.221 CCCCCCCCCCCCOC(=O)CBr MCULE-2483808028 [1,1,0,0,0,0|2,0,0]=4 93 B16R0.221 CCCCCCCCCCCCOC(=O)CC MCULE-8247406436 [1,1,0,0,0,0|2,0,0]=4 94 B16R0.221 CCCCCCCCCCCCOC(=O)CCl MCULE-6379931852 [1,1,0,0,0,0|2,0,0]=4 95 B16R0.221 CCCCCCCCCCCCOC(=O)CN MCULE-5189541815 [1,1,0,0,0,0|2,0,0]=4 96 B16R0.221 CCCCCCCCCCCCOC(=O)CN MCULE-8545291130 [1,1,0,0,0,0|2,0,0]=4 97 B16R0.221 CCCCCCCCCCCCOC(=O)CS MCULE-8899893008 [1,1,0,0,0,0|1,1,0]=4 98 B16R0.224 CCCCCCCCCCCCC(Br)C(=O)O MCULE-5819916240 [1,1,0,0,0,0|2,0,0]=4 99 B16R0.224 CCCCCCCCCCCCC(C)C(=O)O MCULE-3088988040 [1,1,0,0,0,0|2,0,0]=4 100 B16R0.224 CCCCCCCCCCCCC(O)C(=O)O MCULE-8369309534 [1,1,0,0,0,0|2,0,0]=4 101 B16R0.224 CCCCCCCCCCCC[C@H](N)C(=O)O MCULE-9531094866 [1,1,0,0,0,0|2,0,0]=4 102 B16R0.274 CCCCCCCCCCCCCCC(=O)O MCULE-3630464562 [1,1,0,0,0,0|2,0,0]=4 103 B16R0.274 CCCCCCCCCCCCCCN(=O)=O MCULE-8122338188 [1,1,0,0,0,0|2,0,0]=4 104 B16R0.274 CCCCCCCCCCCCCOB(O)O MCULE-6853722078 [1,1,0,0,0,0|1,0,1]=4 105 B16R0.274 CCCCCCCCCCCCCOC(=O)C MCULE-3462383419 [1,1,0,0,0,0|2,0,0]=4 106 B16R0.274 CCCCCCCCCCCCNCC(=O)O MCULE-7069020402 [1,1,0,0,0,0|2,0,0]=4 107 B16R0.274 CCCCCCCCCCCCOCC(=O)O MCULE-5186628423 [1,1,0,0,0,0|1,0,0]=3 108 B16R0.274 CCCCCCCCCCCCSCC(=O)O MCULE-8937853494 [1,1,0,0,0,0|1,1,0]=4 109 B16R0.274 CCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2182837845 [1,1,0,0,0,0|2,0,0]=4 110 B16R0.274 CCCCCCCCCCNCCCC(=O)O MCULE-2947320698 [1,1,0,0,0,0|2,0,0]=4 111 B16R0.274 CCCCCCCCCCNCCCC(=O)O MCULE-5076653771 [1,1,0,0,0,0|2,0,0]=4 112 B16R0.274 NCCCCCCCCCCCCCC(=O)O MCULE-6805237317 [1,1,0,0,0,0|2,0,0]=4 113 B16R0.274 O=C(O)CCCCCCCCCCCCCBr MCULE-6321854023 [1,1,0,0,0,0|2,0,0]=4 114 B16R0.274 O=C(O)CCCCCCCCCCCCCO MCULE-2388869238 [1,1,0,0,0,0|2,0,0]=4 115 B16R0.274 O=C(O)CCCCCCCCCCCCCS MCULE-3340350604 [1,1,0,0,0,0|2,0,0]=4 116 B16R0.302 CCCCCCCCCCCC(C)CC(=O)O MCULE-2991345155 [1,1,0,0,0,0|2,0,0]=4 117 B16R0.302 CCCCCCCCCCCC(O)CC(=O)O MCULE-4756542974 [1,1,0,0,0,0|2,0,0]=4 118 B16R0.302 CCCCCCCCCCC[C@@H](O)CC(=O)O MCULE-1246941080 [1,1,0,0,0,0|2,0,0]=4 119 B16R0.1469 CCCCCC(O)CCCCCCCC(=O)O MCULE-4062514314 [1,1,0,0,0,0|2,0,0]=4 120 B16R0.1820 CCCCCCCCC(O)CCCCC(=O)O MCULE-6832728953 [1,1,0,0,0,0|2,0,0]=4 121 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)O MCULE-7323844658 [1,1,0,0,0,0|2,0,0]=4 122 B16R0.3288 CC(O)CCCCCCCCCCCC(=O)O MCULE-3635113821 [1,1,0,0,0,0|2,0,0]=4 123 B16R0.3292 C=CS(=O)(=O)CCCCCCCCCCCC MCULE-9700338358 [1,1,0,0,0,0|1,0,0]=3 124 B16R0.3292 CCCCCCCCCCCCS(=O)(=O)NN MCULE-5450012538 [1,1,0,0,0,0|1,0,0]=3 125 B18R0.182 CCCCCCCCCCCCCCCS(=O)(=O)O MCULE-4345458910 [0,2,0,0,0,0|1,0,0]=3 126 B18R0.182 CCCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-7486286746 [0,2,0,0,0,0|1,0,1]=4 127 B18R0.182 CCCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-7712284852 [0,2,0,0,0,0|0,0,1]=3 128 B18R0.182 CCCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-9060828083 [0,2,0,0,0,0|0,0,1]=3 129 B18R0.19358 CCCCCCCCCCCCCCS(=O)(=O)NN MCULE-7110906866 [0,2,0,0,0,0|2,0,0]=4 130 B18R0.11388 CCCCCCCCC[N+](C)(C)CCOS(=O)(=O)[O-] MCULE-4023320142 [0,2,0,0,0,0|1,0,1]=4 131 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 MCULE-8938614477 [1,0,0,1,0,0|2,0,0]=4 132 B16R1.3904 CCCCCCCC1CCCC1CC(=O)O MCULE-5962401066 [1,0,0,1,0,0|2,0,0]=4 133 B16R1.20337 CCCCCCCCCCC1CC1C(=O)O MCULE-6448726765 [1,0,0,1,0,0|2,0,0]=4 134 B16R1.17548 CCCCCCCCOC1CCS(=O)(=O)C1 MCULE-5777672199 [1,0,0,1,0,0|2,0,0]=4 135 B18R1.13154 CCCCCCCCCCOC1CCS(=O)(=O)C1 MCULE-5624701544 [0,1,0,1,0,0|2,0,0]=4