0 B19R0.3102 CCCCCCCCCCCCCCCCP(=O)(C)C MCULE-1297219083 [0,0,0,0,0,0|3,0,0]=3 1 B19R0.3102 CCCCCCCCCCCCCCCCP(=O)(O)O MCULE-8035733316 [0,0,0,0,0,0|1,0,1]=2 2 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)Cl MCULE-9708403811 [0,0,0,0,0,0|1,0,0]=1 3 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)F MCULE-4504055603 [0,0,0,0,0,0|1,0,0]=1 4 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-4046657434 [0,0,0,0,0,0|0,0,1]=1 5 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-7597485703 [0,0,0,0,0,0|0,0,1]=1 6 B19R0.3102 CCCCCCCCCCCCCCCC[N+](C)(C)C MCULE-3382205002 [0,0,0,0,0,0|4,0,0]=4 7 B19R0.3102 CCCCCCCCCCCCCCCC[N+](C)(C)C MCULE-3445417278 [0,0,0,0,0,0|4,0,0]=4 8 B19R0.3102 CCCCCCCCCCCCCCCC[N+](C)(C)C MCULE-4220278982 [0,0,0,0,0,0|4,0,0]=4 9 B19R0.3102 CCCCCCCCCCCCCCCC[N+](C)(C)C MCULE-4305670420 [0,0,0,0,0,0|4,0,0]=4 10 B19R0.3102 CCCCCCCCCCCCCCCC[N+](C)(C)C MCULE-5717754684 [0,0,0,0,0,0|4,0,0]=4 11 B19R0.3102 CCCCCCCCCCCCCCCC[N+](C)(C)C MCULE-7034575622 [0,0,0,0,0,0|4,0,0]=4 12 B19R0.3102 CCCCCCCCCCCCCCCC[N+](C)(C)C MCULE-7452998571 [0,0,0,0,0,0|4,0,0]=4 13 B19R0.3102 CCCCCCCCCCCCCCCC[N+](C)(C)C MCULE-8268040909 [0,0,0,0,0,0|4,0,0]=4 14 B19R0.3102 CCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl MCULE-9269246375 [0,0,0,0,0,0|4,0,0]=4 15 B18R0.176 C=C(C)CCCCCCCCCCCCCCCC MCULE-1892085325 [1,0,0,0,0,0|3,0,0]=4 16 B18R0.176 C=CCCCCCCCCCCCCCCC(=O)O MCULE-9537148876 [1,0,0,0,0,0|1,0,2]=4 17 B18R0.176 CCCCCC/C=C\CCCCCCCCC(=O)O MCULE-7425245696 [1,0,0,0,0,0|1,0,2]=4 18 B18R0.176 CCCCCCC=CCCCCCCCCC(=O)O MCULE-8054022250 [1,0,0,0,0,0|1,0,2]=4 19 B18R0.176 CCCCCCCCCCCCCCCCB(O)O MCULE-2099476935 [1,0,0,0,0,0|1,0,1]=3 20 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl MCULE-4774205698 [1,0,0,0,0,0|2,0,0]=3 21 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N MCULE-8756975449 [1,0,0,0,0,0|2,0,0]=3 22 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O MCULE-9357391090 [1,0,0,0,0,0|1,0,0]=2 23 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] MCULE-4806292195 [1,0,0,0,0,0|1,0,1]=3 24 B18R0.176 CCCCCCCCCCCCCCCCN(=O)=O MCULE-7589734060 [1,0,0,0,0,0|1,0,0]=2 25 B18R0.176 CCCCCCCCCCCCCCCCN(C)C MCULE-2205932096 [1,0,0,0,0,0|3,0,0]=4 26 B18R0.176 CCCCCCCCCCCCCCCCN(C)C MCULE-5534646497 [1,0,0,0,0,0|3,0,0]=4 27 B18R0.176 CCCCCCCCCCCCCCCOC(=O)C MCULE-8455635595 [1,0,0,0,0,0|3,0,0]=4 28 B18R0.176 CCCCCCCCCCCCCCNCC(C)O MCULE-3623779879 [1,0,0,0,0,0|3,0,0]=4 29 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O MCULE-6925387619 [1,0,0,0,0,0|2,0,0]=3 30 B18R0.176 CCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2691784276 [1,0,0,0,0,0|2,0,0]=3 31 B18R0.176 CCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2883416094 [1,0,0,0,0,0|2,0,0]=3 32 B18R0.176 CCCCCCCCCCCCSCCCC(=O)N MCULE-1673663174 [1,0,0,0,0,0|3,0,0]=4 33 B18R0.176 NCCCCCCCCCCCCCCCC(=O)O MCULE-5669844918 [1,0,0,0,0,0|2,0,0]=3 34 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr MCULE-3555817163 [1,0,0,0,0,0|2,0,0]=3 35 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO MCULE-5601308035 [1,0,0,0,0,0|2,0,0]=3 36 B18R0.176 O=C(O)CCCCCCCCCCCCCCCS MCULE-2534249442 [1,0,0,0,0,0|2,0,0]=3 37 B18R0.182 CCCCCCCCCCCCCCCS(=O)(=O)O MCULE-4345458910 [1,0,0,0,0,0|0,0,0]=1 38 B18R0.182 CCCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-7486286746 [1,0,0,0,0,0|0,0,1]=2 39 B18R0.182 CCCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-7712284852 [1,0,0,0,0,0|1,0,1]=3 40 B18R0.182 CCCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-9060828083 [1,0,0,0,0,0|1,0,1]=3 41 B20R0.8490 CCCCCCCCCCOC(=O)CCNCS(=O)(=O)O MCULE-2964097688 [0,1,0,0,0,0|2,0,1]=4 42 B20R0.31943 CCCCCCCCCCCCCCCC(O)S(=O)(=O)O MCULE-1581798687 [0,1,0,0,0,0|0,0,0]=1 43 B20R0.31943 CCCCCCCCCCCCCCCC(O)S(=O)(=O)[O-] MCULE-4763611508 [0,1,0,0,0,0|0,0,1]=2 44 B20R0.32509 CCCCCCCCCCCCCCCCOP(=O)(O)O MCULE-1298294906 [0,1,0,0,0,0|1,0,1]=3 45 B20R0.32509 CCCCCCCCCCCCCCCCOP(=O)([O-])O MCULE-1694896141 [0,1,0,0,0,0|1,0,1]=3 46 B20R0.32509 CCCCCCCCCCCCCCCCOP(=O)([O-])[O-] MCULE-4471014958 [0,1,0,0,0,0|1,0,2]=4 47 B20R0.32509 CCCCCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-1058631183 [0,1,0,0,0,0|0,0,1]=2 48 B20R0.32509 CCCCCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-4471067550 [0,1,0,0,0,0|0,0,1]=2 49 B20R0.32994 CCCCCCCCCCCCCCCCS(=O)(=O)NN MCULE-1372840289 [0,1,0,0,0,0|1,0,0]=2 50 B17R0.43 CCCCCCCCCCCCCCCC(=O)C MCULE-2820432182 [2,0,0,0,0,0|2,0,0]=4 51 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl MCULE-2299274236 [2,0,0,0,0,0|2,0,0]=4 52 B17R0.43 CCCCCCCCCCCCCCCC(=O)N MCULE-9133427571 [2,0,0,0,0,0|2,0,0]=4 53 B17R0.43 CCCCCCCCCCCCCCCC(=O)O MCULE-1361949901 [2,0,0,0,0,0|1,0,0]=3 54 B17R0.43 CCCCCCCCCCCCCCCC(=O)S MCULE-8215136457 [2,0,0,0,0,0|1,1,0]=4 55 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-2906724981 [2,0,0,0,0,0|1,0,1]=4 56 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-3645136442 [2,0,0,0,0,0|1,0,1]=4 57 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-9097304670 [2,0,0,0,0,0|1,0,1]=4 58 B17R0.43 CCCCCCCCCCCCCCCC(C)O MCULE-4314680622 [2,0,0,0,0,0|2,0,0]=4 59 B17R0.43 CCCCCCCCCCCCNCCC(=O)O MCULE-6849446767 [2,0,0,0,0,0|2,0,0]=4 60 B17R0.43 CCCCCCCCCCCCSCCC(=O)O MCULE-1413456430 [2,0,0,0,0,0|2,0,0]=4 61 B17R0.43 CCCCCCCCSCCCCCCC(=O)O MCULE-3418202255 [2,0,0,0,0,0|2,0,0]=4 62 B17R0.43 NCCCCCCCCCCCCCCC(=O)O MCULE-8397983958 [2,0,0,0,0,0|2,0,0]=4 63 B17R0.43 O=C(O)CCCCCCCCCCCCCCBr MCULE-4704611362 [2,0,0,0,0,0|2,0,0]=4 64 B17R0.43 O=C(O)CCCCCCCCCCCCCCO MCULE-9603867941 [2,0,0,0,0,0|2,0,0]=4 65 B17R0.117 C#CCCCCCCCCCCCCCCCC MCULE-5076637744 [2,0,0,0,0,0|2,0,0]=4 66 B17R0.117 C=CCCCCCCCCCCCCCCCC MCULE-2516709852 [2,0,0,0,0,0|2,0,0]=4 67 B17R0.117 CCCCCCCCCCCCCCCCC#N MCULE-6977232864 [2,0,0,0,0,0|2,0,0]=4 68 B17R0.117 CCCCCCCCCCCCCCCCC=O MCULE-7209784895 [2,0,0,0,0,0|1,0,0]=3 69 B17R0.117 CCCCCCCCCCCCCCCCCBr MCULE-6281216518 [2,0,0,0,0,0|2,0,0]=4 70 B17R0.117 CCCCCCCCCCCCCCCCCC MCULE-2392852814 [2,0,0,0,0,0|2,0,0]=4 71 B17R0.117 CCCCCCCCCCCCCCCCCN MCULE-2249148626 [2,0,0,0,0,0|2,0,0]=4 72 B17R0.117 CCCCCCCCCCCCCCCCCO MCULE-5595057947 [2,0,0,0,0,0|1,0,0]=3 73 B17R0.117 CCCCCCCCCCCCCCCCNC MCULE-1285251874 [2,0,0,0,0,0|2,0,0]=4 74 B17R0.117 CCCCCCCCCCCCCCNCCO MCULE-9295121461 [2,0,0,0,0,0|2,0,0]=4 75 B17R0.117 CCCCCCCCCCCCCCOCCO MCULE-7801199331 [2,0,0,0,0,0|2,0,0]=4 76 B17R0.117 CCCCCCCCCCCCCOCCCO MCULE-3687360805 [2,0,0,0,0,0|2,0,0]=4 77 B17R0.117 CCCCCCCCCCCCCOCCCO MCULE-8888652835 [2,0,0,0,0,0|2,0,0]=4 78 B17R0.117 OCCCCCCCCCCCCCCCCBr MCULE-1022662758 [2,0,0,0,0,0|2,0,0]=4 79 B17R0.117 OCCCCCCCCCCCCCCCCO MCULE-4723598157 [2,0,0,0,0,0|2,0,0]=4 80 B17R0.117 OCCCCCCCCCCCCCCCCS MCULE-2183879155 [2,0,0,0,0,0|2,0,0]=4 81 B17R0.197 CCCCCCCCCCCCCCP(=O)(O)O MCULE-4571824808 [2,0,0,0,0,0|1,0,1]=4 82 B17R0.197 CCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-2130157408 [2,0,0,0,0,0|0,0,1]=3 83 B17R0.197 CCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-2309434065 [2,0,0,0,0,0|0,0,1]=3 84 B17R0.197 CCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-6601401599 [2,0,0,0,0,0|1,0,1]=4 85 B17R0.197 CCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-9455261518 [2,0,0,0,0,0|1,0,1]=4 86 B19R0.35 CCCCCCCCCCCCCCC(O)CC(=O)O MCULE-6684061995 [1,1,0,0,0,0|1,0,0]=3 87 B19R0.59 CCCCCCCC(=O)CCCCCCCCC(=O)O MCULE-4196802493 [1,1,0,0,0,0|1,0,1]=4 88 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC MCULE-4465312774 [1,1,0,0,0,0|1,0,0]=3 89 B19R0.148 CCCCCCCCCCCCCCCCC(O)CN MCULE-9682126343 [1,1,0,0,0,0|2,0,0]=4 90 B19R0.148 CCCCCCCCCCCCCCCC[C@@H](O)CO MCULE-5392529093 [1,1,0,0,0,0|1,0,1]=4 91 B19R0.148 COC(=O)CCCCCCCCCCCCCCCBr MCULE-1850296129 [1,1,0,0,0,0|2,0,0]=4 92 B19R0.148 COC(=O)CCCCCCCCCCCCCCCO MCULE-5067829702 [1,1,0,0,0,0|2,0,0]=4 93 B19R0.149 C#CCCCCCCCCCCCCCCCC(=O)O MCULE-7083652608 [1,1,0,0,0,0|1,0,1]=4 94 B19R0.149 CCCC/C=C\CCCCCCCCCCCC(=O)O MCULE-1460805964 [1,1,0,0,0,0|1,0,1]=4 95 B19R0.149 CCCCC=CCCCCCCCCCCCC(=O)O MCULE-2741584353 [1,1,0,0,0,0|1,0,1]=4 96 B19R0.149 CCCCCC/C=C/CCCCCCCCCC(=O)O MCULE-6829224594 [1,1,0,0,0,0|1,0,1]=4 97 B19R0.149 CCCCCC/C=C\CCCCCCCCCC(=O)O MCULE-4733251398 [1,1,0,0,0,0|1,0,1]=4 98 B19R0.149 CCCCCCC=CCCCCCCCCCC(=O)O MCULE-1673564563 [1,1,0,0,0,0|1,0,1]=4 99 B19R0.149 CCCCCCCC/C=C/CCCCCCCC(=O)O MCULE-3046418352 [1,1,0,0,0,0|1,0,1]=4 100 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)O MCULE-6044533117 [1,1,0,0,0,0|1,0,1]=4 101 B19R0.149 CCCCCCCC=CCCCCCCCCC(=O)O MCULE-9461095927 [1,1,0,0,0,0|1,0,1]=4 102 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O MCULE-1324819009 [1,1,0,0,0,0|1,0,1]=4 103 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O MCULE-9547538729 [1,1,0,0,0,0|1,0,1]=4 104 B19R0.149 CCCCCCCCCC=CCCCCCCC(=O)O MCULE-8183826174 [1,1,0,0,0,0|1,0,1]=4 105 B19R0.149 CCCCCCCCCCC/C=C\CCCCC(=O)O MCULE-7468359720 [1,1,0,0,0,0|1,0,1]=4 106 B19R0.149 CCCCCCCCCCCC=CCCCCC(=O)O MCULE-8691030137 [1,1,0,0,0,0|1,0,1]=4 107 B19R0.149 CCCCCCCCCCCCCCCC=CC(=O)O MCULE-1870065641 [1,1,0,0,0,0|1,0,1]=4 108 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)C MCULE-4728028088 [1,1,0,0,0,0|2,0,0]=4 109 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl MCULE-2308152010 [1,1,0,0,0,0|2,0,0]=4 110 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)F MCULE-2181448420 [1,1,0,0,0,0|2,0,0]=4 111 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N MCULE-4542342972 [1,1,0,0,0,0|2,0,0]=4 112 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O MCULE-5127577640 [1,1,0,0,0,0|1,0,0]=3 113 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-2987899692 [1,1,0,0,0,0|1,0,1]=4 114 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-3875570730 [1,1,0,0,0,0|1,0,1]=4 115 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-6249269089 [1,1,0,0,0,0|1,0,1]=4 116 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-6599303223 [1,1,0,0,0,0|1,0,1]=4 117 B19R0.149 CCCCCCCCCCCCCCCCNC(=O)C MCULE-6531755891 [1,1,0,0,0,0|2,0,0]=4 118 B19R0.149 CCCCCCCCCCCCCCCCNC(=O)N MCULE-8393504195 [1,1,0,0,0,0|2,0,0]=4 119 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)C MCULE-2100485792 [1,1,0,0,0,0|2,0,0]=4 120 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)Cl MCULE-4015597321 [1,1,0,0,0,0|2,0,0]=4 121 B19R0.149 CCCCCCCCCCCCCCCCOP(=O)[O-] MCULE-9510391507 [1,1,0,0,0,0|1,0,1]=4 122 B19R0.149 CCCCCCCCCCCCCCCCOP(=O)[O-] MCULE-9626584037 [1,1,0,0,0,0|1,0,1]=4 123 B19R0.149 CCCCCCCCCCCCSCCCCC(=O)O MCULE-8180884322 [1,1,0,0,0,0|1,0,0]=3 124 B19R0.149 CCCCCCCCSCCCCCCCCC(=O)O MCULE-1789714511 [1,1,0,0,0,0|1,0,0]=3 125 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCBr MCULE-8185924357 [1,1,0,0,0,0|1,0,0]=3 126 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCO MCULE-6787345030 [1,1,0,0,0,0|1,0,0]=3 127 B19R0.153 CCCCCCCCCCCCSCC[C@H](N)C(=O)O MCULE-8575399975 [1,1,0,0,0,0|2,0,0]=4 128 B19R0.153 CCCCCCCCCCCCSCC[C@H](N)C(=O)O MCULE-8723634142 [1,1,0,0,0,0|2,0,0]=4 129 B19R0.153 [C@@H](N)(COCCCCCCCCCCCCC)C(=O)O MCULE-4708837165 [1,1,0,0,0,0|2,0,0]=4 130 B19R0.153 [C@@H]([NH3+])(COCCCCCCCCCCCCC)C(=O)O MCULE-7338430342 [1,1,0,0,0,0|2,0,0]=4 131 B19R0.443 CC(C)CCCCCCCCCCCCCCC(=O)O MCULE-4598065479 [1,1,0,0,0,0|1,0,0]=3 132 B19R0.21384 CCC(C)CCCCCCCCCCCCCC(=O)O MCULE-4781818208 [1,1,0,0,0,0|1,0,0]=3 133 B19R0.26214 CCCCCCCCCC(=O)CCCCCCC(=O)O MCULE-8979687298 [1,1,0,0,0,0|1,0,1]=4 134 B19R0.26214 CCCCCCCCCC(O)CCCCCCC(=O)O MCULE-2739435890 [1,1,0,0,0,0|1,0,0]=3 135 B19R0.26289 CCCCCCC(=O)CCCCCCCCCC(=O)O MCULE-8472999265 [1,1,0,0,0,0|1,0,1]=4 136 B19R0.26289 CCCCCCC(O)CCCCCCCCCC(=O)O MCULE-3978963802 [1,1,0,0,0,0|1,0,0]=3 137 B21R0.25349 CCCCCCCCCCCCS(=O)(=O)CCSS(=O)(=O)O MCULE-4164208845 [0,2,0,0,0,0|2,0,0]=4 138 B21R0.25349 CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] MCULE-1437918842 [0,2,0,0,0,0|1,0,1]=4 139 B21R0.36399 CCCCCCCCCCCCCCCCCCP(=O)(O)O MCULE-5807255184 [0,2,0,0,0,0|1,0,1]=4 140 B21R0.36399 CCCCCCCCCCCCCCCCCCS(=O)(=O)O MCULE-9427388139 [0,2,0,0,0,0|0,0,0]=2 141 B21R0.36399 CCCCCCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-3444519383 [0,2,0,0,0,0|0,0,1]=3 142 B19R1.274 [C@@H]1(CCC(=O)O1)CCCCCCCCCCCCC MCULE-7211376504 [1,0,0,1,0,0|1,0,0]=3 143 B19R1.20739 O=C1CCCCCCCCCCCCCCCCO1 MCULE-3888851261 [1,0,0,1,0,0|1,0,0]=3 144 B19R1.46520 CCCCCCCCCCCCCCCCC1CO1 MCULE-1843981676 [1,0,0,1,0,0|2,0,0]=4 145 B19R1.46541 CCCCCCC1CC1CCCCCCCC(=O)O MCULE-2189450865 [1,0,0,1,0,0|1,0,0]=3 146 B21R1.17783 CCCCCCCCCCCCSC1CS(=O)(=O)CC1O MCULE-9167946454 [0,1,0,1,0,0|2,0,0]=4 147 B21R1.17783 CCCCCCCCCCCCS[C@H]1CS(=O)(=O)C[C@@H]1O MCULE-1774783426 [0,1,0,1,0,0|2,0,0]=4