0 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.28 CC(=O)CCC=C(C)C MCULE-3832720881 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,0,0,0,0,0|1,0,0]=1 9 B8R0.28 CC(=O)CCCC(C)C MCULE-7256575819 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.28 CC(=O)CCCN(C)C MCULE-8876627134 [0,0,0,0,0,0|4,0,0]=4 11 B8R0.28 CC(=O)CCOC(=O)C MCULE-5123903575 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.28 CC(=O)COCC(=O)C MCULE-1945925794 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.28 CC(=O)NCCC(=O)N MCULE-6090839432 [0,0,0,0,0,0|3,0,0]=3 14 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,0,0,0,0,0|2,0,0]=2 15 B8R0.28 CC(=O)NCCS(=O)C MCULE-1283027669 [0,0,0,0,0,0|4,0,0]=4 16 B8R0.28 CC(=O)NCNC(=O)C MCULE-3469911833 [0,0,0,0,0,0|4,0,0]=4 17 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,0,0,0,0,0|2,0,0]=2 18 B8R0.28 CC(=O)OCOC(=O)C MCULE-9458993444 [0,0,0,0,0,0|4,0,0]=4 19 B8R0.28 CC(=O)SCCC(=O)Cl MCULE-7772328654 [0,0,0,0,0,0|3,0,0]=3 20 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [0,0,0,0,0,0|2,0,0]=2 21 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [0,0,0,0,0,0|2,0,1]=3 22 B8R0.28 CC(C)CNCC(=O)O MCULE-4695293444 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.28 CC(C)CNCC(=O)O MCULE-9936739681 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.28 CC(C)COCC(=O)O MCULE-8643896966 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.28 CC(C)CSCC(=O)O MCULE-5182400762 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.28 CC(C)NCCC(=O)O MCULE-2087792459 [0,0,0,0,0,0|3,0,1]=4 27 B8R0.28 CC(C)NCCC(=O)O MCULE-6893587807 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.28 CC(C)OCCC(=O)O MCULE-6533666992 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.28 CC(C)SCCC(=O)O MCULE-1434094352 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.28 CC(Cl)CCCC(=O)Cl MCULE-6993455396 [0,0,0,0,0,0|3,0,1]=4 31 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [0,0,0,0,0,0|1,0,1]=2 32 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [0,0,0,0,0,0|1,0,2]=3 33 B8R0.28 CN(C)CCCC(=O)Cl MCULE-4211417336 [0,0,0,0,0,0|4,0,0]=4 34 B8R0.28 CN(C)CCCC(=O)Cl MCULE-6854328742 [0,0,0,0,0,0|4,0,0]=4 35 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [0,0,0,0,0,0|3,0,0]=3 36 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [0,0,0,0,0,0|3,0,0]=3 37 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [0,0,0,0,0,0|3,0,0]=3 38 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [0,0,0,0,0,0|3,0,0]=3 39 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [0,0,0,0,0,0|3,0,0]=3 40 B8R0.28 N=C(S)NCCC(=O)O MCULE-7149670288 [0,0,0,0,0,0|2,1,0]=3 41 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [0,0,0,0,0,0|2,0,0]=2 42 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [0,0,0,0,0,0|1,0,0]=1 43 B8R0.28 NC(=O)CCCN(=O)=O MCULE-8220881093 [0,0,0,0,0,0|2,0,1]=3 44 B8R0.28 NC(=O)CNCC(=O)N MCULE-7451569201 [0,0,0,0,0,0|3,0,0]=3 45 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [0,0,0,0,0,0|2,0,0]=2 46 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [0,0,0,0,0,0|2,0,0]=2 47 B8R0.28 NC(=O)CSCC(=O)N MCULE-1673116541 [0,0,0,0,0,0|3,0,0]=3 48 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [0,0,0,0,0,0|2,0,0]=2 49 B8R0.28 NC(=O)NC=CC(=O)O MCULE-5004188805 [0,0,0,0,0,0|2,0,2]=4 50 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [0,0,0,0,0,0|2,0,0]=2 51 B8R0.28 NC(=O)NCNC(=O)N MCULE-2324881355 [0,0,0,0,0,0|4,0,0]=4 52 B8R0.28 NC(=O)NN=CC(=O)O MCULE-1954165276 [0,0,0,0,0,0|3,0,1]=4 53 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [0,0,0,0,0,0|2,1,0]=3 54 B8R0.28 O=C(Cl)CCCC(=O)Cl MCULE-6157663188 [0,0,0,0,0,0|2,0,0]=2 55 B8R0.28 O=C(Cl)COCC(=O)Cl MCULE-4828514058 [0,0,0,0,0,0|3,0,0]=3 56 B8R0.28 O=C(O)/C=C/CC(=O)O MCULE-3754065542 [0,0,0,0,0,0|0,0,2]=2 57 B8R0.28 O=C(O)C=CCC(=O)O MCULE-2034660220 [0,0,0,0,0,0|0,0,2]=2 58 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [0,0,0,0,0,0|0,0,0]=0 59 B8R0.28 O=C(O)CCCC(F)F MCULE-1906281877 [0,0,0,0,0,0|2,0,1]=3 60 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [0,0,0,0,0,0|1,0,1]=2 61 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [0,0,0,0,0,0|1,0,0]=1 62 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [0,0,0,0,0,0|1,0,0]=1 63 B8R0.28 O=C(O)COCC(F)F MCULE-2599944385 [0,0,0,0,0,0|3,0,1]=4 64 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [0,0,0,0,0,0|1,0,0]=1 65 B8R0.28 O=C([O-])CCCC(=O)[O-] MCULE-3809476672 [0,0,0,0,0,0|0,0,2]=2 66 B8R0.28 O=C([O-])CNCC(=O)[O-] MCULE-1067264838 [0,0,0,0,0,0|1,0,2]=3 67 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [0,0,0,0,0,0|1,0,1]=2 68 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [0,0,0,0,0,0|1,0,1]=2 69 B8R0.28 OC(=S)COCC(=S)O MCULE-1054878793 [0,0,0,0,0,0|1,2,0]=3 70 B8R0.28 [NH2+](CC(=O)N)CC(=O)N MCULE-7548046822 [0,0,0,0,0,0|3,0,0]=3 71 B7R0.4 C#CCCCC(=O)C MCULE-9860822800 [1,0,0,0,0,0|2,0,1]=4 72 B7R0.4 C#CCCCC(=O)Cl MCULE-8504740573 [1,0,0,0,0,0|2,0,1]=4 73 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [1,0,0,0,0,0|2,0,1]=4 74 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [1,0,0,0,0,0|1,0,1]=3 75 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [1,0,0,0,0,0|2,0,1]=4 76 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [1,0,0,0,0,0|2,0,1]=4 77 B7R0.4 C#CCOCC(=O)O MCULE-7164718181 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.4 C#CCSCC(=O)O MCULE-4337210412 [1,0,0,0,0,0|2,0,1]=4 79 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [1,0,0,0,0,0|1,0,2]=4 80 B7R0.4 C=CCCCB(O)O MCULE-3337238704 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [1,0,0,0,0,0|2,0,0]=3 82 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [1,0,0,0,0,0|1,0,0]=2 83 B7R0.4 C=CCCCC(C)O MCULE-6692920526 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.4 C=CCCCN(=O)=O MCULE-2477675285 [1,0,0,0,0,0|2,0,1]=4 85 B7R0.4 C=CCCOC(=O)C MCULE-4554969214 [1,0,0,0,0,0|3,0,0]=4 86 B7R0.4 C=CCCOC(=O)Cl MCULE-1917342500 [1,0,0,0,0,0|3,0,0]=4 87 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [1,0,0,0,0,0|2,0,0]=3 88 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [1,0,0,0,0,0|2,0,0]=3 89 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [1,0,0,0,0,0|2,0,0]=3 90 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [1,0,0,0,0,0|2,0,0]=3 91 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [1,0,0,0,0,0|1,0,2]=4 92 B7R0.4 CC(=CCCC=O)C MCULE-3815388926 [1,0,0,0,0,0|2,0,1]=4 93 B7R0.4 CC(=O)CCCC#N MCULE-5884370871 [1,0,0,0,0,0|2,0,1]=4 94 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [1,0,0,0,0,0|2,0,1]=4 95 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [1,0,0,0,0,0|2,0,1]=4 96 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [1,0,0,0,0,0|1,0,1]=3 97 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [1,0,0,0,0,0|2,0,0]=3 98 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [1,0,0,0,0,0|2,0,1]=4 99 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [1,0,0,0,0,0|2,0,1]=4 100 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [1,0,0,0,0,0|2,0,0]=3 101 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [1,0,0,0,0,0|2,0,1]=4 102 B7R0.4 CC(C)CCCC=O MCULE-2846844109 [1,0,0,0,0,0|2,0,1]=4 103 B7R0.4 CC(O)CCCCO MCULE-3790969400 [1,0,0,0,0,0|1,0,2]=4 104 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [1,0,0,0,0,0|1,0,1]=3 105 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [1,0,0,0,0,0|2,0,1]=4 106 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [1,0,0,0,0,0|2,0,1]=4 107 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [1,0,0,0,0,0|2,0,1]=4 108 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [1,0,0,0,0,0|1,0,1]=3 109 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [1,0,0,0,0,0|1,0,2]=4 110 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [1,0,0,0,0,0|1,0,2]=4 111 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [1,0,0,0,0,0|2,0,1]=4 112 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [1,0,0,0,0,0|2,0,1]=4 113 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [1,0,0,0,0,0|2,0,1]=4 114 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [1,0,0,0,0,0|2,0,1]=4 115 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [1,0,0,0,0,0|2,0,1]=4 116 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [1,0,0,0,0,0|2,0,1]=4 117 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [1,0,0,0,0,0|2,0,1]=4 118 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [1,0,0,0,0,0|2,0,1]=4 119 B7R0.4 CN(C)CCCC=O MCULE-1296611805 [1,0,0,0,0,0|3,0,0]=4 120 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [1,0,0,0,0,0|3,0,0]=4 121 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [1,0,0,0,0,0|3,0,0]=4 122 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [1,0,0,0,0,0|2,0,0]=3 123 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [1,0,0,0,0,0|2,0,0]=3 124 B7R0.4 COCCCC(=O)C MCULE-3606369396 [1,0,0,0,0,0|3,0,0]=4 125 B7R0.4 COCCCC(=O)O MCULE-3165881573 [1,0,0,0,0,0|2,0,0]=3 126 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [1,0,0,0,0,0|2,0,0]=3 127 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [1,0,0,0,0,0|3,0,0]=4 128 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [1,0,0,0,0,0|1,0,1]=3 129 B7R0.4 N#CCSCC(=O)O MCULE-4687961137 [1,0,0,0,0,0|2,0,1]=4 130 B7R0.4 N#N=NCCC(=O)O MCULE-2098979516 [1,0,0,0,0,0|3,0,0]=4 131 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [1,0,0,0,0,0|2,0,1]=4 132 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [1,0,0,0,0,0|2,0,1]=4 133 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [1,0,0,0,0,0|1,0,1]=3 134 B7R0.4 NC(=O)COCCO MCULE-3158372920 [1,0,0,0,0,0|2,0,1]=4 135 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [1,0,0,0,0,0|2,0,1]=4 136 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [1,0,0,0,0,0|2,0,1]=4 137 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [1,0,0,0,0,0|2,0,1]=4 138 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [1,0,0,0,0,0|2,0,1]=4 139 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [1,0,0,0,0,0|1,0,1]=3 140 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [1,0,0,0,0,0|1,0,1]=3 141 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [1,0,0,0,0,0|1,0,1]=3 142 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [1,0,0,0,0,0|1,0,1]=3 143 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [1,0,0,0,0,0|2,0,1]=4 144 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [1,0,0,0,0,0|2,0,1]=4 145 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [1,0,0,0,0,0|2,0,1]=4 146 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [1,0,0,0,0,0|2,0,1]=4 147 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [1,0,0,0,0,0|2,0,1]=4 148 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [1,0,0,0,0,0|2,0,1]=4 149 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [1,0,0,0,0,0|2,0,0]=3 150 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [1,0,0,0,0,0|2,0,0]=3 151 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [1,0,0,0,0,0|2,0,1]=4 152 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [1,0,0,0,0,0|2,0,1]=4 153 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [1,0,0,0,0,0|2,0,1]=4 154 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [1,0,0,0,0,0|0,0,3]=4 155 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [1,0,0,0,0,0|1,0,1]=3 156 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [1,0,0,0,0,0|1,0,1]=3 157 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [1,0,0,0,0,0|1,0,1]=3 158 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [1,0,0,0,0,0|0,0,1]=2 159 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [1,0,0,0,0,0|0,1,1]=3 160 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [1,0,0,0,0,0|1,0,1]=3 161 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [1,0,0,0,0,0|2,0,1]=4 162 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [1,0,0,0,0,0|2,0,1]=4 163 B7R0.4 O=C(O)COCCF MCULE-9820799514 [1,0,0,0,0,0|2,0,1]=4 164 B7R0.4 O=C(O)COCCO MCULE-8297137880 [1,0,0,0,0,0|1,0,1]=3 165 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [1,0,0,0,0,0|2,0,1]=4 166 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [1,0,0,0,0,0|1,0,1]=3 167 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [1,0,0,0,0,0|0,0,2]=3 168 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [1,0,0,0,0,0|1,0,2]=4 169 B7R0.4 O=C=NCCC(=O)Cl MCULE-4830401558 [1,0,0,0,0,0|2,0,1]=4 170 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [1,0,0,0,0,0|0,0,0]=1 171 B7R0.4 O=N(=O)CCCCO MCULE-4639070341 [1,0,0,0,0,0|1,0,2]=4 172 B9R0.1 C=C(C)CCCC(=O)OC MCULE-9632804158 [0,1,0,0,0,0|2,0,0]=3 173 B9R0.1 C=CC(=O)OCCC(=O)O MCULE-6407187257 [0,1,0,0,0,0|2,0,0]=3 174 B9R0.1 CCC(=CCCC(=O)O)C MCULE-6674917264 [0,1,0,0,0,0|2,0,1]=4 175 B9R0.1 CCC(=O)CCCC(=O)O MCULE-9954859815 [0,1,0,0,0,0|1,0,0]=2 176 B9R0.1 CCC(=O)NCCC(=O)O MCULE-8290753533 [0,1,0,0,0,0|2,0,0]=3 177 B9R0.1 CCC(C)CCCC(=O)O MCULE-5124776736 [0,1,0,0,0,0|2,0,1]=4 178 B9R0.1 CN(CCCC(=O)O)N=O MCULE-9429394767 [0,1,0,0,0,0|2,0,0]=3 179 B9R0.1 CNC(=O)CCCC(=O)O MCULE-1504372631 [0,1,0,0,0,0|1,0,0]=2 180 B9R0.1 CNC(=O)COCC(=O)O MCULE-6654181237 [0,1,0,0,0,0|2,0,0]=3 181 B9R0.1 CNC(=O)NCCC(=O)O MCULE-2339960341 [0,1,0,0,0,0|2,0,0]=3 182 B9R0.1 COC(=O)CCCC(=O)C MCULE-7598370905 [0,1,0,0,0,0|1,0,0]=2 183 B9R0.1 COC(=O)CCCC(=O)Cl MCULE-6036333168 [0,1,0,0,0,0|1,0,0]=2 184 B9R0.1 COC(=O)CCCC(=O)O MCULE-9458960872 [0,1,0,0,0,0|0,0,0]=1 185 B9R0.1 COC(=O)CCCC(=S)N MCULE-8415864487 [0,1,0,0,0,0|1,1,0]=3 186 B9R0.1 COC(=O)CCCN(=O)=O MCULE-6885475719 [0,1,0,0,0,0|1,0,1]=3 187 B9R0.1 COC(=O)CCNC(=O)C MCULE-2210096145 [0,1,0,0,0,0|2,0,0]=3 188 B9R0.1 COC(=O)CCNC(=O)N MCULE-9678867682 [0,1,0,0,0,0|2,0,0]=3 189 B9R0.1 COC(=O)CCON(=O)=O MCULE-8546508385 [0,1,0,0,0,0|2,0,1]=4 190 B9R0.1 COC(=O)CNCC(=O)O MCULE-2471794774 [0,1,0,0,0,0|1,0,0]=2 191 B9R0.1 COC(=O)COCC(=O)C MCULE-4891593388 [0,1,0,0,0,0|2,0,0]=3 192 B9R0.1 COC(=O)COCC(=O)O MCULE-7342647633 [0,1,0,0,0,0|1,0,0]=2 193 B9R0.1 COC(=O)CSCC(=O)C MCULE-7264442650 [0,1,0,0,0,0|2,0,0]=3 194 B9R0.1 COC(=O)CSCC(=O)O MCULE-3902674048 [0,1,0,0,0,0|1,0,0]=2 195 B9R0.1 COC(=O)NCCC(=O)O MCULE-2819384794 [0,1,0,0,0,0|1,0,0]=2 196 B9R0.1 NCC(=O)CCCC(=O)O MCULE-2734634895 [0,1,0,0,0,0|1,0,0]=2 197 B9R0.1 NCC(=O)CCCC(=O)O MCULE-7779987234 [0,1,0,0,0,0|1,0,0]=2 198 B9R0.1 NCC(=O)NCCC(=O)N MCULE-3860393064 [0,1,0,0,0,0|3,0,0]=4 199 B9R0.1 NCC(=O)NCCC(=O)N MCULE-8788981043 [0,1,0,0,0,0|3,0,0]=4 200 B9R0.1 NCC(=O)ONCC(=O)O MCULE-2802022381 [0,1,0,0,0,0|3,0,0]=4 201 B9R0.1 O=C(O)CCCC(O)CO MCULE-8338266320 [0,1,0,0,0,0|0,0,2]=3 202 B9R0.1 O=C(O)CCNC(=O)CBr MCULE-6072289927 [0,1,0,0,0,0|2,0,0]=3 203 B9R0.1 O=C(O)CCNC(=O)CCl MCULE-4076619762 [0,1,0,0,0,0|2,0,0]=3 204 B9R0.1 O=C(O)CCNC(=O)CO MCULE-2710668626 [0,1,0,0,0,0|1,0,0]=2 205 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,1,0,0,0,0|0,0,1]=2 206 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [0,1,0,0,0,0|0,0,1]=2 207 B9R0.7 CC(=CCC(N)C(=O)O)C MCULE-9020150203 [0,1,0,0,0,0|2,0,1]=4 208 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C MCULE-7822845293 [0,1,0,0,0,0|2,0,1]=4 209 B9R0.7 CC(=CC[C@H](N)C(=O)O)C MCULE-6208618845 [0,1,0,0,0,0|2,0,1]=4 210 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [0,1,0,0,0,0|1,0,0]=2 211 B9R0.7 CC(=O)C(C)CCC(=O)[O-] MCULE-8051941482 [0,1,0,0,0,0|1,0,1]=3 212 B9R0.7 CC(=O)N(C)CCC(=O)O MCULE-3939402773 [0,1,0,0,0,0|2,0,0]=3 213 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,1,0,0,0,0|2,0,0]=3 214 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,1,0,0,0,0|2,0,0]=3 215 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,1,0,0,0,0|2,0,0]=3 216 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,1,0,0,0,0|2,0,0]=3 217 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,1,0,0,0,0|2,0,0]=3 218 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,1,0,0,0,0|2,0,0]=3 219 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,1,0,0,0,0|2,0,0]=3 220 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,1,0,0,0,0|2,0,0]=3 221 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,1,0,0,0,0|2,0,0]=3 222 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,1,0,0,0,0|2,0,0]=3 223 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,1,0,0,0,0|2,0,0]=3 224 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,1,0,0,0,0|2,0,0]=3 225 B9R0.7 CC(=O)SCC(C)C(=O)N MCULE-5520753765 [0,1,0,0,0,0|3,0,0]=4 226 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [0,1,0,0,0,0|2,0,0]=3 227 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [0,1,0,0,0,0|2,0,0]=3 228 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [0,1,0,0,0,0|2,0,0]=3 229 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [0,1,0,0,0,0|2,0,0]=3 230 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [0,1,0,0,0,0|2,0,0]=3 231 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [0,1,0,0,0,0|2,0,0]=3 232 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [0,1,0,0,0,0|2,0,0]=3 233 B9R0.7 CC(C)CCC(C)C(=O)O MCULE-8295273403 [0,1,0,0,0,0|2,0,1]=4 234 B9R0.7 CC(C)CCC(F)C(=O)O MCULE-1179378327 [0,1,0,0,0,0|2,0,1]=4 235 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-1719574078 [0,1,0,0,0,0|2,0,1]=4 236 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7494642848 [0,1,0,0,0,0|2,0,1]=4 237 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7934601656 [0,1,0,0,0,0|2,0,1]=4 238 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-3738071496 [0,1,0,0,0,0|2,0,1]=4 239 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-6646418122 [0,1,0,0,0,0|2,0,1]=4 240 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-1152840736 [0,1,0,0,0,0|2,0,1]=4 241 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-2931632246 [0,1,0,0,0,0|2,0,1]=4 242 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-6463365282 [0,1,0,0,0,0|2,0,1]=4 243 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-7649870164 [0,1,0,0,0,0|2,0,1]=4 244 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,1,0,0,0,0|0,0,0]=1 245 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,1,0,0,0,0|0,0,0]=1 246 B9R0.7 CC(CCC(=O)O)N(C)C MCULE-5148332124 [0,1,0,0,0,0|3,0,0]=4 247 B9R0.7 CC(CCC(=O)O)N(C)C MCULE-6459126538 [0,1,0,0,0,0|3,0,0]=4 248 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-1367979399 [0,1,0,0,0,0|3,0,0]=4 249 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-7599864369 [0,1,0,0,0,0|3,0,0]=4 250 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [0,1,0,0,0,0|2,0,0]=3 251 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [0,1,0,0,0,0|1,0,0]=2 252 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [0,1,0,0,0,0|1,0,0]=2 253 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [0,1,0,0,0,0|1,0,0]=2 254 B9R0.7 CN(C)CCC(N)C(=O)O MCULE-8874115334 [0,1,0,0,0,0|3,0,0]=4 255 B9R0.7 CN(C)CCC(O)C(=O)O MCULE-7034022816 [0,1,0,0,0,0|3,0,0]=4 256 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7859718042 [0,1,0,0,0,0|3,0,0]=4 257 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7883746105 [0,1,0,0,0,0|3,0,0]=4 258 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,1,0,0,0,0|2,0,0]=3 259 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,1,0,0,0,0|2,0,0]=3 260 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,1,0,0,0,0|2,0,0]=3 261 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,1,0,0,0,0|2,0,0]=3 262 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,1,0,0,0,0|2,0,0]=3 263 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,1,0,0,0,0|2,0,0]=3 264 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,1,0,0,0,0|0,0,0]=1 265 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,1,0,0,0,0|0,0,0]=1 266 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,1,0,0,0,0|0,0,0]=1 267 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O MCULE-1884928652 [0,1,0,0,0,0|1,0,1]=3 268 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [0,1,0,0,0,0|1,0,0]=2 269 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [0,1,0,0,0,0|1,0,0]=2 270 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-1226059178 [0,1,0,0,0,0|3,0,0]=4 271 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-2190014040 [0,1,0,0,0,0|3,0,0]=4 272 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-5712047901 [0,1,0,0,0,0|3,0,0]=4 273 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-6819299220 [0,1,0,0,0,0|3,0,0]=4 274 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-9030836699 [0,1,0,0,0,0|3,0,0]=4 275 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-4590755313 [0,1,0,0,0,0|3,0,0]=4 276 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-5450461647 [0,1,0,0,0,0|3,0,0]=4 277 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-6366850762 [0,1,0,0,0,0|3,0,0]=4 278 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-1022001641 [0,1,0,0,0,0|3,0,0]=4 279 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-2164538601 [0,1,0,0,0,0|3,0,0]=4 280 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-4494909498 [0,1,0,0,0,0|3,0,0]=4 281 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-6858051266 [0,1,0,0,0,0|3,0,0]=4 282 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-7758450855 [0,1,0,0,0,0|3,0,0]=4 283 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-8877605547 [0,1,0,0,0,0|3,0,0]=4 284 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-1177262947 [0,1,0,0,0,0|3,0,0]=4 285 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-2474644851 [0,1,0,0,0,0|3,0,0]=4 286 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-5671557476 [0,1,0,0,0,0|3,0,0]=4 287 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3050097417 [0,1,0,0,0,0|3,0,0]=4 288 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3499032906 [0,1,0,0,0,0|3,0,0]=4 289 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-4835798272 [0,1,0,0,0,0|3,0,0]=4 290 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8355456866 [0,1,0,0,0,0|3,0,0]=4 291 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8635327390 [0,1,0,0,0,0|3,0,0]=4 292 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,1,0,0,0,0|1,0,0]=2 293 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,1,0,0,0,0|1,0,0]=2 294 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,1,0,0,0,0|1,0,0]=2 295 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3069717045 [0,1,0,0,0,0|2,0,0]=3 296 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3964283106 [0,1,0,0,0,0|2,0,0]=3 297 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8749190773 [0,1,0,0,0,0|2,0,0]=3 298 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8900435477 [0,1,0,0,0,0|2,0,0]=3 299 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,1,0,0,0,0|1,0,0]=2 300 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,1,0,0,0,0|1,0,0]=2 301 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-2293558876 [0,1,0,0,0,0|2,0,0]=3 302 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-5457304555 [0,1,0,0,0,0|2,0,0]=3 303 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-7482897734 [0,1,0,0,0,0|2,0,0]=3 304 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-9074108708 [0,1,0,0,0,0|2,0,0]=3 305 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,1,0,0,0,0|1,0,0]=2 306 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,1,0,0,0,0|1,0,0]=2 307 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [0,1,0,0,0,0|2,0,0]=3 308 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [0,1,0,0,0,0|2,0,0]=3 309 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [0,1,0,0,0,0|2,0,0]=3 310 B9R0.7 NC(=O)NC[C@H]([NH3+])C(=O)[O-] MCULE-2674726108 [0,1,0,0,0,0|2,0,1]=4 311 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [0,1,0,0,0,0|2,0,0]=3 312 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [0,1,0,0,0,0|2,0,0]=3 313 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [0,1,0,0,0,0|2,0,0]=3 314 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,1,0,0,0,0|1,0,0]=2 315 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,1,0,0,0,0|1,0,0]=2 316 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,1,0,0,0,0|1,0,0]=2 317 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,1,0,0,0,0|1,0,0]=2 318 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,1,0,0,0,0|1,0,0]=2 319 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,1,0,0,0,0|1,0,0]=2 320 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,1,0,0,0,0|0,0,0]=1 321 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,1,0,0,0,0|0,0,0]=1 322 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,1,0,0,0,0|0,0,0]=1 323 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,1,0,0,0,0|0,0,1]=2 324 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,1,0,0,0,0|0,0,0]=1 325 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,1,0,0,0,0|0,0,0]=1 326 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,1,0,0,0,0|0,0,0]=1 327 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,1,0,0,0,0|0,0,0]=1 328 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,1,0,0,0,0|0,0,0]=1 329 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [0,1,0,0,0,0|0,0,1]=2 330 B9R0.7 N[C@@H](CCC(=O)O)C(O)O MCULE-4882070910 [0,1,0,0,0,0|0,0,2]=3 331 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,1,0,0,0,0|0,0,1]=2 332 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,1,0,0,0,0|0,0,1]=2 333 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,1,0,0,0,0|0,0,0]=1 334 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,1,0,0,0,0|0,0,0]=1 335 B9R0.7 O=C(O)CCC(=C(F)F)F MCULE-4570016016 [0,1,0,0,0,0|2,0,1]=4 336 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [0,1,0,0,0,0|0,0,1]=2 337 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] MCULE-3585102694 [0,1,0,0,0,0|0,0,2]=3 338 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,1,0,0,0,0|0,0,0]=1 339 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,1,0,0,0,0|0,0,0]=1 340 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,1,0,0,0,0|0,0,0]=1 341 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,1,0,0,0,0|0,0,0]=1 342 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,1,0,0,0,0|0,0,0]=1 343 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,1,0,0,0,0|0,0,0]=1 344 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,1,0,0,0,0|0,0,0]=1 345 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,1,0,0,0,0|0,0,0]=1 346 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [0,1,0,0,0,0|1,0,1]=3 347 B9R0.7 O=C([O-])CCC(=O)C(=O)O MCULE-3931336643 [0,1,0,0,0,0|0,0,2]=3 348 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] MCULE-2857630880 [0,1,0,0,0,0|0,0,3]=4 349 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] MCULE-7607570800 [0,1,0,0,0,0|0,0,3]=4 350 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-1880842258 [0,1,0,0,0,0|0,0,2]=3 351 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4254561979 [0,1,0,0,0,0|0,0,2]=3 352 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4348197971 [0,1,0,0,0,0|0,0,2]=3 353 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-2376048296 [0,1,0,0,0,0|0,0,2]=3 354 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-3046517186 [0,1,0,0,0,0|0,0,2]=3 355 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-2350068178 [0,1,0,0,0,0|0,0,2]=3 356 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-8971415546 [0,1,0,0,0,0|0,0,2]=3 357 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [0,1,0,0,0,0|1,0,0]=2 358 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,1,0,0,0,0|1,0,0]=2 359 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,1,0,0,0,0|0,0,0]=1 360 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,1,0,0,0,0|2,0,0]=3 361 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,1,0,0,0,0|0,0,0]=1 362 B9R0.7 [NH3+][C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-6350748495 [0,1,0,0,0,0|0,0,2]=3 363 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O MCULE-1345660635 [0,1,0,0,0,0|0,0,2]=3 364 B9R0.53 CC(=CC(=O)O)CC(=O)O MCULE-8165055939 [0,1,0,0,0,0|0,0,2]=3 365 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [0,1,0,0,0,0|2,0,0]=3 366 B9R0.53 CC(C)CC(C)CC(=O)O MCULE-6189870651 [0,1,0,0,0,0|2,0,1]=4 367 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-3491123553 [0,1,0,0,0,0|2,0,1]=4 368 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-4917004131 [0,1,0,0,0,0|2,0,1]=4 369 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-9751191377 [0,1,0,0,0,0|2,0,1]=4 370 B9R0.53 CC(C)CC(O)CC(=O)O MCULE-2536433460 [0,1,0,0,0,0|2,0,1]=4 371 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-1906257031 [0,1,0,0,0,0|2,0,1]=4 372 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-5676550364 [0,1,0,0,0,0|2,0,1]=4 373 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-8752852377 [0,1,0,0,0,0|2,0,1]=4 374 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-9926372034 [0,1,0,0,0,0|2,0,1]=4 375 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5502640895 [0,1,0,0,0,0|2,0,1]=4 376 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5602246196 [0,1,0,0,0,0|2,0,1]=4 377 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-6522397846 [0,1,0,0,0,0|2,0,1]=4 378 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-8594791252 [0,1,0,0,0,0|2,0,1]=4 379 B9R0.53 CC(CC(=O)N)CC(=O)N MCULE-8411499627 [0,1,0,0,0,0|2,0,0]=3 380 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [0,1,0,0,0,0|0,0,0]=1 381 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [0,1,0,0,0,0|2,0,0]=3 382 B9R0.53 CN(C)CC(O)CC(=O)O MCULE-7052117725 [0,1,0,0,0,0|3,0,0]=4 383 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [0,1,0,0,0,0|1,0,0]=2 384 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [0,1,0,0,0,0|1,0,0]=2 385 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [0,1,0,0,0,0|0,0,0]=1 386 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [0,1,0,0,0,0|0,0,0]=1 387 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [0,1,0,0,0,0|1,0,0]=2 388 B9R0.53 O=C(O)C=C(Cl)CC(=O)O MCULE-4643738898 [0,1,0,0,0,0|0,0,2]=3 389 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [0,1,0,0,0,0|0,0,1]=2 390 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [0,1,0,0,0,0|0,0,0]=1 391 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [0,1,0,0,0,0|1,0,0]=2 392 B9R0.56 CC(=O)NCCS(=O)(=O)O MCULE-4053951959 [0,1,0,0,0,0|3,0,0]=4 393 B9R0.56 CC(=O)SCCS(=O)(=O)O MCULE-4519705338 [0,1,0,0,0,0|3,0,0]=4 394 B9R0.56 CC(C)(C)CCCC(=O)O MCULE-2659832762 [0,1,0,0,0,0|2,0,1]=4 395 B9R0.56 CS(=O)(=O)CCCC(=O)O MCULE-2515518184 [0,1,0,0,0,0|1,0,1]=3 396 B9R0.56 CS(=O)(=O)NCCC(=O)O MCULE-7823027792 [0,1,0,0,0,0|2,0,1]=4 397 B9R0.56 C[N+](C)(C)CCCC(=O)O MCULE-2639547018 [0,1,0,0,0,0|3,0,0]=4 398 B9R0.56 C[Si](C)(C)CCCC(=O)O MCULE-6750746548 [0,1,0,0,0,0|2,1,0]=4 399 B9R0.56 NC(=O)NCCS(=O)(=O)O MCULE-6567400181 [0,1,0,0,0,0|3,0,0]=4 400 B9R0.56 NS(=O)(=O)CCCC(=O)O MCULE-8548216682 [0,1,0,0,0,0|1,0,1]=3 401 B9R0.56 NS(=O)(=O)NCCC(=O)O MCULE-7564527970 [0,1,0,0,0,0|2,0,1]=4 402 B9R0.56 O=C(O)CCCC(F)(F)F MCULE-4498764296 [0,1,0,0,0,0|2,0,1]=4 403 B9R0.56 O=C(O)CCCP(=O)(O)O MCULE-9510971866 [0,1,0,0,0,0|1,0,0]=2 404 B9R0.56 O=C(O)CNCP(=O)(O)O MCULE-3308266821 [0,1,0,0,0,0|2,0,0]=3 405 B9R0.56 O=C([O-])CNCP(=O)(O)O MCULE-8648426476 [0,1,0,0,0,0|2,0,1]=4 406 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [0,0,0,1,0,0|1,0,0]=2 407 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [0,0,0,1,0,0|0,0,0]=1 408 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-6561840637 [0,0,0,1,0,0|3,0,0]=4 409 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-7766846765 [0,0,0,1,0,0|3,0,0]=4 410 B9R1.35 C=C1CCC(C1)C(=O)O MCULE-7982355069 [0,0,0,1,0,0|2,0,0]=3 411 B9R1.35 CC(=O)C1CCC(=O)O1 MCULE-5049805875 [0,0,0,1,0,0|1,0,0]=2 412 B9R1.35 CC(=O)C1COC(=O)C1 MCULE-4262262510 [0,0,0,1,0,0|3,0,0]=4 413 B9R1.35 CC(=O)N1CCC(=O)C1 MCULE-3924044267 [0,0,0,1,0,0|3,0,0]=4 414 B9R1.35 CC1=CC(SC1)C(=O)O MCULE-1599288333 [0,0,0,1,0,0|3,0,0]=4 415 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [0,0,0,1,0,0|2,0,0]=3 416 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [0,0,0,1,0,0|2,0,0]=3 417 B9R1.35 CC1=NC(CS1)C(=O)O MCULE-2658936955 [0,0,0,1,0,0|3,0,0]=4 418 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [0,0,0,1,0,0|2,0,1]=4 419 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [0,0,0,1,0,0|2,0,1]=4 420 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [0,0,0,1,0,0|2,0,1]=4 421 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [0,0,0,1,0,0|1,0,1]=3 422 B9R1.35 CN1CCC(C1)C(=O)O MCULE-5724245212 [0,0,0,1,0,0|3,0,0]=4 423 B9R1.35 CN1CCC(C1)C(=O)O MCULE-6263233064 [0,0,0,1,0,0|3,0,0]=4 424 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1382244459 [0,0,0,1,0,0|3,0,0]=4 425 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1492032594 [0,0,0,1,0,0|3,0,0]=4 426 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-1080921095 [0,0,0,1,0,0|3,0,0]=4 427 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5145674459 [0,0,0,1,0,0|3,0,0]=4 428 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5820812779 [0,0,0,1,0,0|3,0,0]=4 429 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-7587726735 [0,0,0,1,0,0|3,0,0]=4 430 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [0,0,0,1,0,0|2,0,1]=4 431 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [0,0,0,1,0,0|2,0,1]=4 432 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [0,0,0,1,0,0|1,0,1]=3 433 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [0,0,0,1,0,0|1,0,1]=3 434 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [0,0,0,1,0,0|2,0,1]=4 435 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [0,0,0,1,0,0|2,0,1]=4 436 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [0,0,0,1,0,0|2,0,1]=4 437 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [0,0,0,1,0,0|2,0,1]=4 438 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [0,0,0,1,0,0|2,0,1]=4 439 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [0,0,0,1,0,0|2,0,1]=4 440 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [0,0,0,1,0,0|2,0,1]=4 441 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [0,0,0,1,0,0|2,0,1]=4 442 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [0,0,0,1,0,0|2,0,1]=4 443 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [0,0,0,1,0,0|2,0,1]=4 444 B9R1.35 NC(=O)C1CCC(=O)N1 MCULE-1717146839 [0,0,0,1,0,0|2,0,0]=3 445 B9R1.35 NC(=O)C1CNC(=O)C1 MCULE-2954653092 [0,0,0,1,0,0|3,0,0]=4 446 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-5928054942 [0,0,0,1,0,0|2,0,0]=3 447 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-8978218986 [0,0,0,1,0,0|2,0,0]=3 448 B9R1.35 NC1=NC(CS1)C(=O)O MCULE-3669823666 [0,0,0,1,0,0|3,0,0]=4 449 B9R1.35 NC1=N[C@@H](CS1)C(=O)O MCULE-6192179870 [0,0,0,1,0,0|3,0,0]=4 450 B9R1.35 NC1=N[C@H](CS1)C(=O)O MCULE-7308504151 [0,0,0,1,0,0|3,0,0]=4 451 B9R1.35 NC1CCC(C1)C(=O)O MCULE-1740452568 [0,0,0,1,0,0|2,0,1]=4 452 B9R1.35 NC1CCC(C1)C(=O)O MCULE-4067702279 [0,0,0,1,0,0|2,0,1]=4 453 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-1729778339 [0,0,0,1,0,0|2,0,1]=4 454 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-2964730214 [0,0,0,1,0,0|2,0,1]=4 455 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-6758665117 [0,0,0,1,0,0|2,0,1]=4 456 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-8002401712 [0,0,0,1,0,0|2,0,1]=4 457 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-1941635524 [0,0,0,1,0,0|2,0,1]=4 458 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-3306995596 [0,0,0,1,0,0|2,0,1]=4 459 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-5728201062 [0,0,0,1,0,0|2,0,1]=4 460 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-8515718052 [0,0,0,1,0,0|2,0,1]=4 461 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-3382663689 [0,0,0,1,0,0|2,0,1]=4 462 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-7889100863 [0,0,0,1,0,0|2,0,1]=4 463 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9213747671 [0,0,0,1,0,0|2,0,1]=4 464 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9781594017 [0,0,0,1,0,0|2,0,1]=4 465 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1569946940 [0,0,0,1,0,0|2,0,1]=4 466 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1675680486 [0,0,0,1,0,0|2,0,1]=4 467 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1903292573 [0,0,0,1,0,0|2,0,1]=4 468 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6695566760 [0,0,0,1,0,0|2,0,1]=4 469 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6999679319 [0,0,0,1,0,0|2,0,1]=4 470 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-8009804408 [0,0,0,1,0,0|2,0,1]=4 471 B9R1.35 O=C(O)C1=CC(CC1)O MCULE-6046983646 [0,0,0,1,0,0|1,0,2]=4 472 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [0,0,0,1,0,0|2,0,1]=4 473 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [0,0,0,1,0,0|2,0,1]=4 474 B9R1.35 O=C(O)C1CCC(C1)Br MCULE-3893521468 [0,0,0,1,0,0|2,0,1]=4 475 B9R1.35 O=C(O)C1CCC(C1)F MCULE-5981771251 [0,0,0,1,0,0|2,0,1]=4 476 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [0,0,0,1,0,0|1,0,1]=3 477 B9R1.35 O=C(O)C1CSC(=S)N1 MCULE-1769481962 [0,0,0,1,0,0|2,1,0]=4 478 B9R1.35 O=C(O)C1OC(CS1)O MCULE-2827262093 [0,0,0,1,0,0|1,0,2]=4 479 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [0,0,0,1,0,0|2,0,1]=4 480 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [0,0,0,1,0,0|1,0,1]=3 481 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [0,0,0,1,0,0|1,0,1]=3 482 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [0,0,0,1,0,0|1,0,1]=3 483 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 MCULE-3331947152 [0,0,0,1,0,0|2,1,0]=4 484 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 MCULE-7575485678 [0,0,0,1,0,0|2,1,0]=4 485 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [0,0,0,1,0,0|2,0,1]=4 486 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [0,0,0,1,0,0|2,0,1]=4 487 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [0,0,0,1,0,0|2,0,1]=4 488 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [0,0,0,1,0,0|2,0,1]=4 489 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [0,0,0,1,0,0|2,0,1]=4 490 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [0,0,0,1,0,0|2,0,1]=4 491 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [0,0,0,1,0,0|2,0,1]=4 492 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [0,0,0,1,0,0|2,0,1]=4 493 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [0,0,0,1,0,0|2,0,1]=4 494 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [0,0,0,1,0,0|1,0,1]=3 495 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [0,0,0,1,0,0|1,0,1]=3 496 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [0,0,0,1,0,0|1,0,1]=3 497 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [0,0,0,1,0,0|2,0,1]=4 498 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [0,0,0,1,0,0|2,0,1]=4 499 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [0,0,0,1,0,0|2,0,1]=4 500 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [0,0,0,1,0,0|2,0,1]=4 501 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [0,0,0,1,0,0|2,0,1]=4 502 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [0,0,0,1,0,0|2,0,1]=4 503 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [0,0,0,1,0,0|2,0,1]=4 504 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [0,0,0,1,0,0|2,0,1]=4 505 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [0,0,0,1,0,0|2,0,1]=4 506 B9R1.35 O=C1C=C(CC1)C(=O)O MCULE-7681373121 [0,0,0,1,0,0|1,0,1]=3 507 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [0,0,0,1,0,0|2,0,0]=3 508 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [0,0,0,1,0,0|2,0,0]=3 509 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [0,0,0,1,0,0|2,0,0]=3 510 B9R1.35 O=C1CC(NN1)C(=O)O MCULE-3197471189 [0,0,0,1,0,0|3,0,0]=4 511 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [0,0,0,1,0,0|1,0,0]=2 512 B9R1.35 O=C1CCC(N1)C(=O)Cl MCULE-7943877958 [0,0,0,1,0,0|2,0,0]=3 513 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [0,0,0,1,0,0|1,0,0]=2 514 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [0,0,0,1,0,0|1,0,0]=2 515 B9R1.35 O=C1CCC(N1)C(=O)[O-] MCULE-1554748470 [0,0,0,1,0,0|1,0,1]=3 516 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [0,0,0,1,0,0|0,0,0]=1 517 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [0,0,0,1,0,0|0,1,0]=2 518 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [0,0,0,1,0,0|1,0,0]=2 519 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [0,0,0,1,0,0|1,0,0]=2 520 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [0,0,0,1,0,0|1,0,0]=2 521 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [0,0,0,1,0,0|1,0,0]=2 522 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl MCULE-2420158992 [0,0,0,1,0,0|1,0,0]=2 523 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [0,0,0,1,0,0|0,0,0]=1 524 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [0,0,0,1,0,0|0,0,0]=1 525 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [0,0,0,1,0,0|1,0,0]=2 526 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [0,0,0,1,0,0|1,0,0]=2 527 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [0,0,0,1,0,0|1,0,0]=2 528 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [0,0,0,1,0,0|1,0,0]=2 529 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [0,0,0,1,0,0|1,0,0]=2 530 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-2892153827 [0,0,0,1,0,0|1,0,1]=3 531 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-8083669516 [0,0,0,1,0,0|1,0,1]=3 532 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl MCULE-2111028314 [0,0,0,1,0,0|1,0,0]=2 533 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [0,0,0,1,0,0|0,0,0]=1 534 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [0,0,0,1,0,0|0,0,0]=1 535 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [0,0,0,1,0,0|0,1,0]=2 536 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [0,0,0,1,0,0|2,0,0]=3 537 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [0,0,0,1,0,0|2,0,0]=3 538 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [0,0,0,1,0,0|2,0,0]=3 539 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [0,0,0,1,0,0|2,0,0]=3 540 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [0,0,0,1,0,0|2,0,0]=3 541 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [0,0,0,1,0,0|2,0,0]=3 542 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [0,0,0,1,0,0|2,0,0]=3 543 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [0,0,0,1,0,0|2,0,0]=3 544 B9R1.35 O=C1COC(C1)C(=O)O MCULE-4720798204 [0,0,0,1,0,0|2,0,0]=3 545 B9R1.35 O=C1CSC(C1)C(=O)O MCULE-3309649635 [0,0,0,1,0,0|2,0,0]=3 546 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [0,0,0,1,0,0|2,0,0]=3 547 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [0,0,0,1,0,0|2,0,0]=3 548 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [0,0,0,1,0,0|2,0,0]=3 549 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [0,0,0,1,0,0|2,0,0]=3 550 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [0,0,0,1,0,0|2,0,0]=3 551 B9R1.35 O=C1NC(CS1)C(=O)O MCULE-4574359237 [0,0,0,1,0,0|2,0,0]=3 552 B9R1.35 O=C1NC=C(O1)C(=O)O MCULE-1855563319 [0,0,0,1,0,0|1,0,2]=4 553 B9R1.35 O=C1NCC(N1)C(=O)O MCULE-5872947769 [0,0,0,1,0,0|2,0,0]=3 554 B9R1.35 O=C1NCC(O1)C(=O)O MCULE-2773613806 [0,0,0,1,0,0|1,0,0]=2 555 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-3499982275 [0,0,0,1,0,0|2,0,0]=3 556 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-9995046216 [0,0,0,1,0,0|2,0,0]=3 557 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-2524102915 [0,0,0,1,0,0|2,0,0]=3 558 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-5992511798 [0,0,0,1,0,0|2,0,0]=3 559 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-5972751457 [0,0,0,1,0,0|1,0,0]=2 560 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-6879191654 [0,0,0,1,0,0|1,0,0]=2 561 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [0,0,0,1,0,0|2,0,0]=3 562 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [0,0,0,1,0,0|2,0,0]=3 563 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-8232416107 [0,0,0,1,0,0|2,0,0]=3 564 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-9439896780 [0,0,0,1,0,0|2,0,0]=3 565 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [0,0,0,1,0,0|2,0,0]=3 566 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [0,0,0,1,0,0|2,0,0]=3 567 B9R1.35 O=C1N[C@H](CS1)C(=O)O MCULE-3120744944 [0,0,0,1,0,0|2,0,0]=3 568 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [0,0,0,1,0,0|1,0,0]=2 569 B9R1.35 [C@@H]1(CN[C@H](C1)C(=O)O)O MCULE-3075663401 [0,0,0,1,0,0|2,0,1]=4 570 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-1734860042 [0,0,0,1,0,0|2,0,1]=4 571 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-3698574567 [0,0,0,1,0,0|2,0,1]=4 572 B9R1.35 [C@H]1(C[C@H](CN1)O)C(=O)O MCULE-3462627258 [0,0,0,1,0,0|2,0,1]=4 573 B9R1.49 O=C1CCC(=O)COC1 MCULE-3449745230 [0,0,0,1,0,0|3,0,0]=4 574 B9R1.49 O=C1CCCC(=O)NC1 MCULE-4912384035 [0,0,0,1,0,0|2,0,0]=3 575 B9R1.49 O=C1CCCC(CN1)O MCULE-2883103344 [0,0,0,1,0,0|2,0,1]=4 576 B9R1.49 O=C1CCCS(=O)CC1 MCULE-7517634998 [0,0,0,1,0,0|3,0,0]=4 577 B9R1.49 O=C1CCNC(=O)CC1 MCULE-7393024422 [0,0,0,1,0,0|3,0,0]=4 578 B9R1.53 CC(=O)OC1CC(=O)C1 MCULE-7425005472 [0,0,0,1,0,0|3,0,0]=4 579 B9R1.53 CC(=O)OC1CC(=O)N1 MCULE-7042794483 [0,0,0,1,0,0|3,0,0]=4 580 B9R1.53 CC1CC(C1)CC(=O)O MCULE-1823232756 [0,0,0,1,0,0|2,0,1]=4 581 B9R1.53 CN1CC(C1)CC(=O)O MCULE-6114587935 [0,0,0,1,0,0|3,0,0]=4 582 B9R1.53 CN1CC(C1)CC(=O)O MCULE-6524445855 [0,0,0,1,0,0|3,0,0]=4 583 B9R1.53 NC1CC(C1)CC(=O)O MCULE-1535901081 [0,0,0,1,0,0|2,0,1]=4 584 B9R1.53 NC1CC(C1)CC(=O)O MCULE-4536482207 [0,0,0,1,0,0|2,0,1]=4 585 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-2333675175 [0,0,0,1,0,0|2,0,1]=4 586 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-3710409300 [0,0,0,1,0,0|2,0,1]=4 587 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-1039324799 [0,0,0,1,0,0|2,0,1]=4 588 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-3309485111 [0,0,0,1,0,0|2,0,1]=4 589 B9R1.53 O=C(O)CC1CC(=O)C1 MCULE-5236898540 [0,0,0,1,0,0|1,0,0]=2 590 B9R1.53 O=C(O)CC1CC(=O)N1 MCULE-4393961412 [0,0,0,1,0,0|1,0,0]=2 591 B9R1.53 O=C(O)CC1CC(C1)F MCULE-2736771844 [0,0,0,1,0,0|2,0,1]=4 592 B9R1.66 O=C1CCCS(=O)(=O)C1 MCULE-5523551731 [0,0,0,1,0,0|2,0,1]=4 593 B9R1.66 O=C1CCCS(=O)(=O)N1 MCULE-4670322076 [0,0,0,1,0,0|2,0,1]=4 594 B9R1.85 O=C(O)CCCC1CC1 MCULE-4019156455 [0,0,0,1,0,0|2,0,1]=4 595 B9R1.161 CC(C)C1CC1C(=O)O MCULE-4298027549 [0,0,0,1,0,0|2,0,1]=4 596 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [0,0,0,1,0,0|1,0,0]=2 597 B9R1.161 NC(=O)C1CC1N(=O)=O MCULE-9623268033 [0,0,0,1,0,0|2,0,1]=4 598 B9R1.161 O=C(Cl)C1CC1N(=O)=O MCULE-4061791739 [0,0,0,1,0,0|2,0,1]=4 599 B9R1.161 O=C(Cl)C1OC1C(=O)Cl MCULE-9383694320 [0,0,0,1,0,0|3,0,0]=4 600 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [0,0,0,1,0,0|0,0,0]=1 601 B9R1.161 O=C(O)C1CC1C(F)F MCULE-6859776096 [0,0,0,1,0,0|2,0,1]=4 602 B9R1.161 O=C(O)C1CC1N(=O)=O MCULE-4711426088 [0,0,0,1,0,0|1,0,1]=3 603 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [0,0,0,1,0,0|1,0,0]=2 604 B9R1.161 O=C(O)[C@@H]1C[C@@H]1C(F)F MCULE-4810792751 [0,0,0,1,0,0|2,0,1]=4 605 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [0,0,0,1,0,0|0,0,0]=1 606 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [0,0,0,1,0,0|0,0,0]=1 607 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [0,0,0,1,0,0|0,0,0]=1 608 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(F)F MCULE-1011454400 [0,0,0,1,0,0|2,0,1]=4 609 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(F)F MCULE-8959639977 [0,0,0,1,0,0|2,0,1]=4 610 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [0,0,0,1,0,0|1,0,0]=2 611 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [0,0,0,1,0,0|1,0,0]=2 612 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [0,0,0,1,0,0|0,0,0]=1 613 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [0,0,0,1,0,0|0,0,0]=1 614 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F MCULE-4761495090 [0,0,0,1,0,0|2,0,1]=4 615 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F MCULE-9106908377 [0,0,0,1,0,0|2,0,1]=4 616 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] MCULE-1350888359 [0,0,0,1,0,0|1,0,1]=3 617 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [0,0,0,1,0,0|0,0,0]=1 618 B9R1.161 O=C(O)[C@H]1C[C@H]1C(F)F MCULE-9137583199 [0,0,0,1,0,0|2,0,1]=4 619 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [0,0,0,1,0,0|1,0,0]=2 620 B9R1.161 O=C([O-])[C@H]1O[C@H]1C(=O)[O-] MCULE-9392079342 [0,0,0,1,0,0|1,0,2]=4 621 B9R1.166 CC1(CCC1C(=O)O)C MCULE-4099946993 [0,0,0,1,0,0|2,0,1]=4 622 B9R1.166 O=C(O)C1CCC1(F)F MCULE-5646109920 [0,0,0,1,0,0|2,0,1]=4 623 B9R1.166 O=C(O)C1CCS1(=O)=O MCULE-9812910264 [0,0,0,1,0,0|1,0,1]=3 624 B9R1.166 O=C(O)[C@@H]1CCC1(F)F MCULE-1777760238 [0,0,0,1,0,0|2,0,1]=4 625 B9R1.166 O=C(O)[C@H]1CCC1(F)F MCULE-9140397233 [0,0,0,1,0,0|2,0,1]=4 626 B9R1.170 CC1(CC1CC(=O)O)C MCULE-4662857705 [0,0,0,1,0,0|2,0,1]=4 627 B9R1.170 O=C(O)CC1CC1(Cl)Cl MCULE-1943383074 [0,0,0,1,0,0|2,0,1]=4 628 B9R1.170 O=C(O)CC1CC1(F)F MCULE-4535964880 [0,0,0,1,0,0|2,0,1]=4 629 B9R1.170 O=C(O)C[C@H]1CC1(F)F MCULE-7984243726 [0,0,0,1,0,0|2,0,1]=4 630 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,0,0,0,1,0|2,0,0]=3 631 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,0,0,0,1,0|3,0,0]=4 632 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,0,0,0,1,0|3,0,0]=4 633 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,0,0,0,1,0|2,0,0]=3 634 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,0,0,0,1,0|3,0,0]=4 635 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,0,0,0,1,0|2,0,0]=3 636 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,0,0,0,1,0|2,0,1]=4 637 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,0,0,0,1,0|1,0,2]=4 638 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,0,0,0,1,0|1,0,2]=4 639 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,0,0,0,1,0|2,0,0]=3 640 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,0,0,0,1,0|2,0,0]=3 641 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,0,0,0,1,0|1,0,0]=2 642 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,0,0,0,1,0|1,0,1]=3 643 B7R0.6 CC(=O)CCN(=O)=O MCULE-4726243654 [0,0,0,0,1,0|2,0,1]=4 644 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [0,0,0,0,1,0|3,0,0]=4 645 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [0,0,0,0,1,0|3,0,0]=4 646 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [0,0,0,0,1,0|3,0,0]=4 647 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [0,0,0,0,1,0|3,0,0]=4 648 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,0,0,0,1,0|3,0,0]=4 649 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,0,0,0,1,0|2,0,0]=3 650 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [0,0,0,0,1,0|3,0,0]=4 651 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,0,0,0,1,0|2,0,0]=3 652 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,0,0,0,1,0|2,0,0]=3 653 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,0,0,0,1,0|2,1,0]=4 654 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [0,0,0,0,1,0|2,0,1]=4 655 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,0,0,0,1,0|2,0,1]=4 656 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,0,0,0,1,0|2,0,1]=4 657 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,0,0,0,1,0|1,0,1]=3 658 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [0,0,0,0,1,0|1,0,2]=4 659 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [0,0,0,0,1,0|1,1,1]=4 660 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [0,0,0,0,1,0|3,0,0]=4 661 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [0,0,0,0,1,0|3,0,0]=4 662 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,0,0,0,1,0|2,0,0]=3 663 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,0,0,0,1,0|2,0,1]=4 664 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,0,0,0,1,0|2,0,1]=4 665 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,0,0,0,1,0|2,0,1]=4 666 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,0,0,0,1,0|2,0,1]=4 667 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,0,0,0,1,0|2,0,1]=4 668 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,0,0,0,1,0|2,0,1]=4 669 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,0,0,0,1,0|2,0,1]=4 670 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [0,0,0,0,1,0|3,0,0]=4 671 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [0,0,0,0,1,0|3,0,0]=4 672 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,0,0,0,1,0|3,0,0]=4 673 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,0,0,0,1,0|3,0,0]=4 674 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,0,0,0,1,0|3,0,0]=4 675 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,0,0,0,1,0|3,0,0]=4 676 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [0,0,0,0,1,0|1,0,2]=4 677 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [0,0,0,0,1,0|1,0,2]=4 678 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [0,0,0,0,1,0|1,0,2]=4 679 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [0,0,0,0,1,0|2,0,0]=3 680 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,0,0,0,1,0|1,0,0]=2 681 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,0,0,0,1,0|2,0,0]=3 682 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,0,0,0,1,0|2,0,0]=3 683 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [0,0,0,0,1,0|2,1,0]=4 684 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [0,0,0,0,1,0|2,0,0]=3 685 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [0,0,0,0,1,0|0,0,2]=3 686 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [0,0,0,0,1,0|0,0,2]=3 687 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [0,0,0,0,1,0|0,0,2]=3 688 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [0,0,0,0,1,0|0,0,2]=3 689 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [0,0,0,0,1,0|0,0,2]=3 690 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [0,0,0,0,1,0|0,0,2]=3 691 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [0,0,0,0,1,0|0,0,2]=3 692 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [0,0,0,0,1,0|0,0,2]=3 693 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [0,0,0,0,1,0|0,0,2]=3 694 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [0,0,0,0,1,0|1,0,1]=3 695 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,0,0,0,1,0|0,0,0]=1 696 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,0,0,0,1,0|0,0,0]=1 697 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [0,0,0,0,1,0|2,0,1]=4 698 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [0,0,0,0,1,0|1,0,1]=3 699 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [0,0,0,0,1,0|2,0,0]=3 700 B7R0.6 O=C([O-])C#CC(=O)O MCULE-8275918466 [0,0,0,0,1,0|0,0,3]=4 701 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,0,0,0,1,0|0,0,1]=2 702 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [0,0,0,0,1,0|0,0,2]=3 703 B9R0.55 C=C(Br)CCCCC(=O)O MCULE-9413125657 [0,0,0,0,0,1|2,0,0]=3 704 B9R0.55 C=C(C)CCCCC(=O)O MCULE-2837812117 [0,0,0,0,0,1|2,0,0]=3 705 B9R0.55 C=C(Cl)CCCCC(=O)O MCULE-6161023222 [0,0,0,0,0,1|2,0,0]=3 706 B9R0.55 CC(=CCCCC(=O)O)C MCULE-3753028092 [0,0,0,0,0,1|2,0,0]=3 707 B9R0.55 CC(=O)CCCCC(=O)C MCULE-9230576763 [0,0,0,0,0,1|2,0,0]=3 708 B9R0.55 CC(=O)CCCCC(=O)O MCULE-6216368990 [0,0,0,0,0,1|1,0,0]=2 709 B9R0.55 CC(=O)CCCOC(=O)C MCULE-1256846745 [0,0,0,0,0,1|2,0,0]=3 710 B9R0.55 CC(=O)NCCCC(=O)O MCULE-3194803041 [0,0,0,0,0,1|1,0,0]=2 711 B9R0.55 CC(=O)NCCNC(=O)C MCULE-2725935578 [0,0,0,0,0,1|3,0,0]=4 712 B9R0.55 CC(=O)NCCSC(=O)C MCULE-4148813739 [0,0,0,0,0,1|3,0,0]=4 713 B9R0.55 CC(=O)OCCCC(=O)O MCULE-3807110432 [0,0,0,0,0,1|1,0,0]=2 714 B9R0.55 CC(=O)OCCOC(=O)C MCULE-4333627796 [0,0,0,0,0,1|3,0,0]=4 715 B9R0.55 CC(=O)SCCCC(=O)O MCULE-2047230148 [0,0,0,0,0,1|1,0,0]=2 716 B9R0.55 CC(C)CCCCC(=O)O MCULE-9552597130 [0,0,0,0,0,1|2,0,1]=4 717 B9R0.55 CC(C)CCOCC(=O)O MCULE-8263995178 [0,0,0,0,0,1|2,0,1]=4 718 B9R0.55 CC(C)CCSCC(=O)O MCULE-6718693744 [0,0,0,0,0,1|2,0,1]=4 719 B9R0.55 CC(C)CNCCC(=O)O MCULE-7021054047 [0,0,0,0,0,1|2,0,1]=4 720 B9R0.55 CC(C)CNCCC(=O)O MCULE-7640501484 [0,0,0,0,0,1|2,0,1]=4 721 B9R0.55 CC(C)COCCC(=O)O MCULE-6429199224 [0,0,0,0,0,1|2,0,1]=4 722 B9R0.55 CC(C)CSCCC(=O)O MCULE-9529480904 [0,0,0,0,0,1|2,0,1]=4 723 B9R0.55 CC(C)NCCCC(=O)O MCULE-4053268267 [0,0,0,0,0,1|2,0,1]=4 724 B9R0.55 CC(C)NCCCC(=O)O MCULE-8505810240 [0,0,0,0,0,1|2,0,1]=4 725 B9R0.55 CC(C)OCCCC(=O)O MCULE-8577811101 [0,0,0,0,0,1|2,0,1]=4 726 B9R0.55 CC(C)SCCCC(=O)O MCULE-7082519548 [0,0,0,0,0,1|2,0,1]=4 727 B9R0.55 CC(N)CCCCC(=O)O MCULE-3306602652 [0,0,0,0,0,1|2,0,1]=4 728 B9R0.55 CC(N)CCCCC(=O)O MCULE-3909320120 [0,0,0,0,0,1|2,0,1]=4 729 B9R0.55 CN(C)CCCCC(=O)O MCULE-9080305665 [0,0,0,0,0,1|3,0,0]=4 730 B9R0.55 CN(C)CCCCC(=O)O MCULE-9325797900 [0,0,0,0,0,1|3,0,0]=4 731 B9R0.55 CN(C)CCNCC(=O)O MCULE-6551648059 [0,0,0,0,0,1|3,0,0]=4 732 B9R0.55 CN(C)CCNCC(=O)O MCULE-7040720736 [0,0,0,0,0,1|3,0,0]=4 733 B9R0.55 CN(C)CCOCC(=O)O MCULE-6117066964 [0,0,0,0,0,1|3,0,0]=4 734 B9R0.55 CN(C)CCSCC(=O)O MCULE-5970767298 [0,0,0,0,0,1|3,0,0]=4 735 B9R0.55 CN(C)CCSCC(=O)O MCULE-6364036095 [0,0,0,0,0,1|3,0,0]=4 736 B9R0.55 N=C(N)NCCCC(=O)O MCULE-6633038701 [0,0,0,0,0,1|2,0,0]=3 737 B9R0.55 NC(=O)CCCCC(=O)N MCULE-7701704987 [0,0,0,0,0,1|2,0,0]=3 738 B9R0.55 NC(=O)CCCCC(=O)O MCULE-6793890356 [0,0,0,0,0,1|1,0,0]=2 739 B9R0.55 NC(=O)CCCN=C(N)N MCULE-3216497199 [0,0,0,0,0,1|3,0,0]=4 740 B9R0.55 NC(=O)CCCN=C(N)N MCULE-6570668893 [0,0,0,0,0,1|3,0,0]=4 741 B9R0.55 NC(=O)CCNCC(=O)N MCULE-5287507547 [0,0,0,0,0,1|2,0,0]=3 742 B9R0.55 NC(=O)CSCCC(=O)O MCULE-5092203912 [0,0,0,0,0,1|1,0,0]=2 743 B9R0.55 NC(=O)NCCCC(=O)O MCULE-4986363363 [0,0,0,0,0,1|1,0,0]=2 744 B9R0.55 O=C(Cl)CCCCC(=O)Cl MCULE-9846069486 [0,0,0,0,0,1|2,0,0]=3 745 B9R0.55 O=C(Cl)OCCOC(=O)Cl MCULE-1003608194 [0,0,0,0,0,1|3,0,0]=4 746 B9R0.55 O=C(O)/C=C/C=C/C(=O)O MCULE-6385818003 [0,0,0,0,0,1|0,0,3]=4 747 B9R0.55 O=C(O)/C=C/CCC(=O)O MCULE-8825957011 [0,0,0,0,0,1|0,0,1]=2 748 B9R0.55 O=C(O)/C=C\C=C/C(=O)O MCULE-3782370049 [0,0,0,0,0,1|0,0,3]=4 749 B9R0.55 O=C(O)/C=C\C=C\C(=O)O MCULE-1285367069 [0,0,0,0,0,1|0,0,3]=4 750 B9R0.55 O=C(O)C/C=C/CC(=O)O MCULE-6650386294 [0,0,0,0,0,1|0,0,1]=2 751 B9R0.55 O=C(O)C=CC=CC(=O)O MCULE-7565238801 [0,0,0,0,0,1|0,0,3]=4 752 B9R0.55 O=C(O)C=CCCC(=O)O MCULE-7591781771 [0,0,0,0,0,1|0,0,1]=2 753 B9R0.55 O=C(O)CC=CCC(=O)O MCULE-4878757775 [0,0,0,0,0,1|0,0,1]=2 754 B9R0.55 O=C(O)CCCCC(=O)O MCULE-1336748609 [0,0,0,0,0,1|0,0,0]=1 755 B9R0.55 O=C(O)CCCCC(=O)O MCULE-3664126855 [0,0,0,0,0,1|0,0,0]=1 756 B9R0.55 O=C(O)CCCCC(=O)O MCULE-6331125687 [0,0,0,0,0,1|0,0,0]=1 757 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7006255210 [0,0,0,0,0,1|0,0,0]=1 758 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7155960751 [0,0,0,0,0,1|0,0,0]=1 759 B9R0.55 O=C(O)CCCCC(F)F MCULE-4491962830 [0,0,0,0,0,1|2,0,1]=4 760 B9R0.55 O=C(O)CCOCC(F)F MCULE-5247096062 [0,0,0,0,0,1|2,0,1]=4 761 B9R0.55 O=C(O)CNNCC(=O)O MCULE-8753369145 [0,0,0,0,0,1|1,0,0]=2 762 B9R0.55 O=C(O)CSSCC(=O)O MCULE-1938189832 [0,0,0,0,0,1|1,0,0]=2 763 B9R0.55 O=C(O)CSSCC(=O)O MCULE-2878758153 [0,0,0,0,0,1|1,0,0]=2 764 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-3513522562 [0,0,0,0,0,1|0,0,1]=2 765 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-5232497586 [0,0,0,0,0,1|0,0,1]=2 766 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-9724137457 [0,0,0,0,0,1|0,0,1]=2 767 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-3830406639 [0,0,0,0,0,1|0,0,2]=3 768 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-8364635624 [0,0,0,0,0,1|0,0,2]=3 769 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [2,0,0,0,0,0|0,0,2]=4 770 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [2,0,0,0,0,0|1,0,1]=4 771 B6R0.4 C=C(C)CCCO MCULE-4629274490 [2,0,0,0,0,0|2,0,0]=4 772 B6R0.4 C=C(F)CCCO MCULE-1688645687 [2,0,0,0,0,0|2,0,0]=4 773 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [2,0,0,0,0,0|0,0,2]=4 774 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [2,0,0,0,0,0|1,0,1]=4 775 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [2,0,0,0,0,0|1,0,1]=4 776 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [2,0,0,0,0,0|1,0,1]=4 777 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [2,0,0,0,0,0|0,0,1]=3 778 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [2,0,0,0,0,0|1,0,1]=4 779 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [2,0,0,0,0,0|1,0,0]=3 780 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [2,0,0,0,0,0|2,0,0]=4 781 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [2,0,0,0,0,0|2,0,0]=4 782 B6R0.4 CC(=O)CCCO MCULE-1335342150 [2,0,0,0,0,0|1,0,0]=3 783 B6R0.4 CC(=O)NCCO MCULE-5968518415 [2,0,0,0,0,0|2,0,0]=4 784 B6R0.4 CC(=O)OCCO MCULE-1251660436 [2,0,0,0,0,0|2,0,0]=4 785 B6R0.4 CC(O)CCCO MCULE-6580326052 [2,0,0,0,0,0|1,0,1]=4 786 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [2,0,0,0,0,0|1,0,1]=4 787 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [2,0,0,0,0,0|1,0,1]=4 788 B6R0.4 CCCCC(=O)C MCULE-3554390184 [2,0,0,0,0,0|1,0,1]=4 789 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [2,0,0,0,0,0|1,0,1]=4 790 B6R0.4 CCCCC(=O)N MCULE-6419483436 [2,0,0,0,0,0|1,0,1]=4 791 B6R0.4 CCCCC(=O)O MCULE-2333640078 [2,0,0,0,0,0|0,0,1]=3 792 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [2,0,0,0,0,0|0,0,2]=4 793 B6R0.4 CCNCC(=O)O MCULE-5989480216 [2,0,0,0,0,0|1,0,1]=4 794 B6R0.4 CCNCC(=O)O MCULE-8087863397 [2,0,0,0,0,0|1,0,1]=4 795 B6R0.4 CCOCC(=O)O MCULE-1726530898 [2,0,0,0,0,0|1,0,1]=4 796 B6R0.4 CCSCC(=O)O MCULE-7471335718 [2,0,0,0,0,0|1,0,1]=4 797 B6R0.4 CNCCC(=O)O MCULE-3627988097 [2,0,0,0,0,0|1,0,1]=4 798 B6R0.4 CNCCC(=O)O MCULE-9858204248 [2,0,0,0,0,0|1,0,1]=4 799 B6R0.4 COCCC(=O)O MCULE-3436347115 [2,0,0,0,0,0|1,0,1]=4 800 B6R0.4 CSCCC(=O)O MCULE-9550032941 [2,0,0,0,0,0|1,0,1]=4 801 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [2,0,0,0,0,0|1,0,1]=4 802 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [2,0,0,0,0,0|1,0,1]=4 803 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [2,0,0,0,0,0|2,0,0]=4 804 B6R0.4 NC(=O)CCCO MCULE-3779341561 [2,0,0,0,0,0|1,0,0]=3 805 B6R0.4 NC(=O)NCCO MCULE-2353513655 [2,0,0,0,0,0|2,0,0]=4 806 B6R0.4 NC(=O)OCCO MCULE-7565460845 [2,0,0,0,0,0|2,0,0]=4 807 B6R0.4 NC(=S)CCCO MCULE-8951145487 [2,0,0,0,0,0|1,1,0]=4 808 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [2,0,0,0,0,0|2,0,0]=4 809 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [2,0,0,0,0,0|2,0,0]=4 810 B6R0.4 NCCCC(=O)N MCULE-8039142092 [2,0,0,0,0,0|2,0,0]=4 811 B6R0.4 NCCCC(=O)N MCULE-8262250872 [2,0,0,0,0,0|2,0,0]=4 812 B6R0.4 NCCCC(=O)O MCULE-3615304273 [2,0,0,0,0,0|1,0,0]=3 813 B6R0.4 NCCCC(=O)O MCULE-7613134021 [2,0,0,0,0,0|1,0,0]=3 814 B6R0.4 NOCCC(=O)O MCULE-1529492904 [2,0,0,0,0,0|2,0,0]=4 815 B6R0.4 NOCCC(=O)O MCULE-6297331357 [2,0,0,0,0,0|2,0,0]=4 816 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [2,0,0,0,0,0|2,0,0]=4 817 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [2,0,0,0,0,0|2,0,0]=4 818 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [2,0,0,0,0,0|0,0,2]=4 819 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [2,0,0,0,0,0|0,0,2]=4 820 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [2,0,0,0,0,0|0,0,2]=4 821 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [2,0,0,0,0,0|1,0,0]=3 822 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [2,0,0,0,0,0|1,0,0]=3 823 B6R0.4 O=C(O)CCCF MCULE-2415675768 [2,0,0,0,0,0|1,0,0]=3 824 B6R0.4 O=C(O)CCCI MCULE-7794841553 [2,0,0,0,0,0|1,0,0]=3 825 B6R0.4 O=C(O)CCCS MCULE-3352840152 [2,0,0,0,0,0|0,1,0]=3 826 B6R0.4 O=C(O)CNCO MCULE-4092998319 [2,0,0,0,0,0|1,0,0]=3 827 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [2,0,0,0,0,0|1,0,1]=4 828 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [2,0,0,0,0,0|1,0,1]=4 829 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [2,0,0,0,0,0|0,0,0]=2 830 B6R0.4 O=CCCN(=O)=O MCULE-3692892497 [2,0,0,0,0,0|1,0,1]=4 831 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [2,0,0,0,0,0|1,0,0]=3 832 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [2,0,0,0,0,0|1,0,1]=4 833 B6R0.6 C#CCCCC=O MCULE-4075029417 [2,0,0,0,0,0|1,0,1]=4 834 B6R0.6 C=CCCCC=O MCULE-8676840281 [2,0,0,0,0,0|1,0,0]=3 835 B6R0.6 C=CCCCCO MCULE-3631432277 [2,0,0,0,0,0|1,0,1]=4 836 B6R0.6 C=CCOCC=O MCULE-8507800253 [2,0,0,0,0,0|2,0,0]=4 837 B6R0.6 CCCCCC=O MCULE-6770578514 [2,0,0,0,0,0|1,0,1]=4 838 B6R0.6 COCCCC=O MCULE-2055914202 [2,0,0,0,0,0|2,0,0]=4 839 B6R0.6 CSCCCC=O MCULE-6353729217 [2,0,0,0,0,0|2,0,0]=4 840 B6R0.6 O=CCCCC=O MCULE-6802048757 [2,0,0,0,0,0|0,0,0]=2 841 B6R0.6 O=CCCCCCl MCULE-1257670284 [2,0,0,0,0,0|1,0,1]=4 842 B6R0.6 O=CCCCCO MCULE-7959082228 [2,0,0,0,0,0|0,0,1]=3 843 B6R0.6 O=CNCCCO MCULE-7926485528 [2,0,0,0,0,0|1,0,1]=4 844 B6R0.6 O=CNCNC=O MCULE-3123960034 [2,0,0,0,0,0|2,0,0]=4 845 B6R0.6 OCCCCCO MCULE-1044076048 [2,0,0,0,0,0|0,0,2]=4 846 B8R0.5 C#CCC(N)CC(=O)O MCULE-2010410671 [1,1,0,0,0,0|1,0,1]=4 847 B8R0.5 C#CCC(N)CC(=O)O MCULE-9655976746 [1,1,0,0,0,0|1,0,1]=4 848 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-1849013560 [1,1,0,0,0,0|1,0,1]=4 849 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-5050240935 [1,1,0,0,0,0|1,0,1]=4 850 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-7394019004 [1,1,0,0,0,0|1,0,1]=4 851 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-8376747540 [1,1,0,0,0,0|1,0,1]=4 852 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-1446527937 [1,1,0,0,0,0|1,0,1]=4 853 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-4559086818 [1,1,0,0,0,0|1,0,1]=4 854 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-5154381271 [1,1,0,0,0,0|1,0,1]=4 855 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-9666448400 [1,1,0,0,0,0|1,0,1]=4 856 B8R0.5 C/C=C/C(O)CC(=O)O MCULE-3416519692 [1,1,0,0,0,0|1,0,1]=4 857 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [1,1,0,0,0,0|1,0,0]=3 858 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [1,1,0,0,0,0|1,0,0]=3 859 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [1,1,0,0,0,0|1,0,0]=3 860 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [1,1,0,0,0,0|1,0,0]=3 861 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [1,1,0,0,0,0|1,0,0]=3 862 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [1,1,0,0,0,0|1,0,0]=3 863 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [1,1,0,0,0,0|1,0,0]=3 864 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [1,1,0,0,0,0|1,0,0]=3 865 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [1,1,0,0,0,0|1,0,0]=3 866 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [1,1,0,0,0,0|1,0,0]=3 867 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [1,1,0,0,0,0|1,0,0]=3 868 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [1,1,0,0,0,0|1,0,0]=3 869 B8R0.5 CC=CC(O)CC(=O)O MCULE-9449456878 [1,1,0,0,0,0|1,0,1]=4 870 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [1,1,0,0,0,0|1,0,1]=4 871 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [1,1,0,0,0,0|1,0,1]=4 872 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [1,1,0,0,0,0|1,0,1]=4 873 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [1,1,0,0,0,0|1,0,1]=4 874 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [1,1,0,0,0,0|1,0,1]=4 875 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [1,1,0,0,0,0|1,0,1]=4 876 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [1,1,0,0,0,0|1,0,1]=4 877 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [1,1,0,0,0,0|1,0,1]=4 878 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [1,1,0,0,0,0|1,0,1]=4 879 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [1,1,0,0,0,0|1,0,1]=4 880 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [1,1,0,0,0,0|1,0,1]=4 881 B8R0.5 CN(CCO)CC(=O)O MCULE-9266824629 [1,1,0,0,0,0|1,0,1]=4 882 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [1,1,0,0,0,0|2,0,0]=4 883 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [1,1,0,0,0,0|2,0,0]=4 884 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [1,1,0,0,0,0|2,0,0]=4 885 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [1,1,0,0,0,0|1,0,1]=4 886 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [1,1,0,0,0,0|1,0,1]=4 887 B8R0.6 C#CCCCC(=O)OC MCULE-1834140672 [1,1,0,0,0,0|1,0,1]=4 888 B8R0.6 C=CCCCC(=O)OC MCULE-4913183131 [1,1,0,0,0,0|1,0,0]=3 889 B8R0.6 C=CCOCC(=O)OC MCULE-7670885186 [1,1,0,0,0,0|2,0,0]=4 890 B8R0.6 C=CCSCC(=O)OC MCULE-3363963029 [1,1,0,0,0,0|2,0,0]=4 891 B8R0.6 CCCCCC(=O)NO MCULE-8432990947 [1,1,0,0,0,0|1,0,1]=4 892 B8R0.6 CCCCCC(=O)OC MCULE-2317616388 [1,1,0,0,0,0|1,0,1]=4 893 B8R0.6 CNCCCC(=O)OC MCULE-2437073705 [1,1,0,0,0,0|2,0,0]=4 894 B8R0.6 CNCCCC(=O)OC MCULE-6776715081 [1,1,0,0,0,0|2,0,0]=4 895 B8R0.6 COC(=O)CCCC#N MCULE-9088492518 [1,1,0,0,0,0|1,0,1]=4 896 B8R0.6 COC(=O)CCCC=O MCULE-2183669341 [1,1,0,0,0,0|0,0,0]=2 897 B8R0.6 COC(=O)CCCCBr MCULE-8354790214 [1,1,0,0,0,0|1,0,1]=4 898 B8R0.6 COC(=O)CCCCCl MCULE-7057883989 [1,1,0,0,0,0|1,0,1]=4 899 B8R0.6 COC(=O)CCCCI MCULE-1527923255 [1,1,0,0,0,0|1,0,1]=4 900 B8R0.6 COC(=O)CCCCN MCULE-3452725442 [1,1,0,0,0,0|1,0,1]=4 901 B8R0.6 COC(=O)CCCCN MCULE-8816545129 [1,1,0,0,0,0|1,0,1]=4 902 B8R0.6 COC(=O)CCCCO MCULE-2443996181 [1,1,0,0,0,0|0,0,1]=3 903 B8R0.6 COC(=O)CCCCS MCULE-5194099368 [1,1,0,0,0,0|0,1,1]=4 904 B8R0.6 COC(=O)CCCON MCULE-1522874324 [1,1,0,0,0,0|2,0,0]=4 905 B8R0.6 COC(=O)CCCON MCULE-4748610058 [1,1,0,0,0,0|2,0,0]=4 906 B8R0.6 COC(=O)CCCSC MCULE-7320944174 [1,1,0,0,0,0|2,0,0]=4 907 B8R0.6 COC(=O)CCN=C=O MCULE-8282687885 [1,1,0,0,0,0|1,0,1]=4 908 B8R0.6 COC(=O)CCNC=O MCULE-2214149264 [1,1,0,0,0,0|1,0,0]=3 909 B8R0.6 COC(=O)COCCO MCULE-7869619911 [1,1,0,0,0,0|1,0,1]=4 910 B8R0.6 COCCCC(=O)OC MCULE-4109110804 [1,1,0,0,0,0|2,0,0]=4 911 B8R0.7 C#CCCCCC(=O)O MCULE-5828767633 [1,1,0,0,0,0|1,0,1]=4 912 B8R0.7 C#CCCOCC(=O)O MCULE-5200842540 [1,1,0,0,0,0|1,0,1]=4 913 B8R0.7 C#CCOCCC(=O)O MCULE-9710662304 [1,1,0,0,0,0|1,0,1]=4 914 B8R0.7 C=CCCCCC(=O)C MCULE-4268619428 [1,1,0,0,0,0|2,0,0]=4 915 B8R0.7 C=CCCCCC(=O)O MCULE-1991116122 [1,1,0,0,0,0|1,0,0]=3 916 B8R0.7 C=CCCCOC(=O)C MCULE-2972695808 [1,1,0,0,0,0|2,0,0]=4 917 B8R0.7 C=CCCNCC(=O)O MCULE-7775351645 [1,1,0,0,0,0|1,0,0]=3 918 B8R0.7 C=CCCOCC(=O)O MCULE-8626594933 [1,1,0,0,0,0|1,0,0]=3 919 B8R0.7 C=CCNCCC(=O)N MCULE-4087711448 [1,1,0,0,0,0|2,0,0]=4 920 B8R0.7 C=CCOCCC(=O)O MCULE-6102747899 [1,1,0,0,0,0|1,0,0]=3 921 B8R0.7 CC#CCCCC(=O)O MCULE-2531382210 [1,1,0,0,0,0|1,0,1]=4 922 B8R0.7 CC(=O)CCCOC=O MCULE-7473574321 [1,1,0,0,0,0|1,0,0]=3 923 B8R0.7 CC(=O)NCCCCO MCULE-5119895862 [1,1,0,0,0,0|1,0,1]=4 924 B8R0.7 CC(=O)OCCCCO MCULE-7064721476 [1,1,0,0,0,0|1,0,1]=4 925 B8R0.7 CC=CCCCC(=O)C MCULE-7957571875 [1,1,0,0,0,0|2,0,0]=4 926 B8R0.7 CC=CCCCC(=O)O MCULE-3300087433 [1,1,0,0,0,0|1,0,0]=3 927 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [1,1,0,0,0,0|1,0,1]=4 928 B8R0.7 CCCCNCC(=O)O MCULE-4725221957 [1,1,0,0,0,0|1,0,1]=4 929 B8R0.7 CCCCOCC(=O)O MCULE-9634255761 [1,1,0,0,0,0|1,0,1]=4 930 B8R0.7 CCCCSCC(=O)O MCULE-3580384865 [1,1,0,0,0,0|1,0,1]=4 931 B8R0.7 CCCNCCC(=O)O MCULE-3144740259 [1,1,0,0,0,0|1,0,1]=4 932 B8R0.7 CCCNCCC(=O)O MCULE-3866165037 [1,1,0,0,0,0|1,0,1]=4 933 B8R0.7 CCCOCCC(=O)O MCULE-1927238608 [1,1,0,0,0,0|1,0,1]=4 934 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [1,1,0,0,0,0|1,0,1]=4 935 B8R0.7 CCNCCCC(=O)O MCULE-7019386199 [1,1,0,0,0,0|1,0,1]=4 936 B8R0.7 CCNCCCC(=O)O MCULE-8568253592 [1,1,0,0,0,0|1,0,1]=4 937 B8R0.7 CCOCCCC(=O)O MCULE-9064011886 [1,1,0,0,0,0|1,0,1]=4 938 B8R0.7 CNCCCCC(=O)O MCULE-4298567521 [1,1,0,0,0,0|1,0,1]=4 939 B8R0.7 CNCCCCC(=O)O MCULE-5688320983 [1,1,0,0,0,0|1,0,1]=4 940 B8R0.7 CNCCOCC(=O)O MCULE-5408672373 [1,1,0,0,0,0|2,0,0]=4 941 B8R0.7 COCCCCC(=O)O MCULE-1268596288 [1,1,0,0,0,0|0,0,1]=3 942 B8R0.7 COCCNCC(=O)O MCULE-2703110743 [1,1,0,0,0,0|1,0,1]=4 943 B8R0.7 COCCNCC(=O)O MCULE-5854004501 [1,1,0,0,0,0|1,0,1]=4 944 B8R0.7 COCCOCC(=O)O MCULE-2561278418 [1,1,0,0,0,0|1,0,1]=4 945 B8R0.7 COCCSCC(=O)O MCULE-2908610834 [1,1,0,0,0,0|1,0,1]=4 946 B8R0.7 CSCCCCC(=O)O MCULE-4498129620 [1,1,0,0,0,0|0,1,1]=4 947 B8R0.7 CSCCNCC(=O)O MCULE-1747724833 [1,1,0,0,0,0|2,0,0]=4 948 B8R0.7 CSCCNCC(=O)O MCULE-9991325079 [1,1,0,0,0,0|2,0,0]=4 949 B8R0.7 CSCCOCC(=O)O MCULE-2038020159 [1,1,0,0,0,0|2,0,0]=4 950 B8R0.7 CSSCCCC(=O)O MCULE-7947744639 [1,1,0,0,0,0|1,1,0]=4 951 B8R0.7 N#CCCCCC(=O)O MCULE-1900756226 [1,1,0,0,0,0|1,0,1]=4 952 B8R0.7 N#CCCNCC(=O)O MCULE-9226456604 [1,1,0,0,0,0|1,0,1]=4 953 B8R0.7 N#N=NCCCC(=O)O MCULE-1397586704 [1,1,0,0,0,0|2,0,0]=4 954 B8R0.7 NC(=O)CCCCCO MCULE-2654184294 [1,1,0,0,0,0|1,0,1]=4 955 B8R0.7 NCCCCCC(=O)O MCULE-3640363033 [1,1,0,0,0,0|1,0,1]=4 956 B8R0.7 NCCCCCC(=O)O MCULE-6389520144 [1,1,0,0,0,0|1,0,1]=4 957 B8R0.7 NCCCNCC(=O)O MCULE-6526080048 [1,1,0,0,0,0|1,0,1]=4 958 B8R0.7 NCCCNCC(=O)O MCULE-6762903438 [1,1,0,0,0,0|1,0,1]=4 959 B8R0.7 NCCCOCC(=O)O MCULE-6428539436 [1,1,0,0,0,0|1,0,1]=4 960 B8R0.7 NCCNCCC(=O)O MCULE-6596967912 [1,1,0,0,0,0|1,0,1]=4 961 B8R0.7 NCCOCCC(=O)O MCULE-8535110656 [1,1,0,0,0,0|1,0,1]=4 962 B8R0.7 NCCOCCC(=O)O MCULE-9124828795 [1,1,0,0,0,0|1,0,1]=4 963 B8R0.7 NCCSCCC(=O)O MCULE-5309234181 [1,1,0,0,0,0|1,0,1]=4 964 B8R0.7 NOCCCCC(=O)O MCULE-2022616022 [1,1,0,0,0,0|0,0,1]=3 965 B8R0.7 NOCCCCC(=O)O MCULE-9375312454 [1,1,0,0,0,0|0,0,1]=3 966 B8R0.7 O=C(O)CCCCCBr MCULE-2086088700 [1,1,0,0,0,0|1,0,1]=4 967 B8R0.7 O=C(O)CCCCCCl MCULE-3419329115 [1,1,0,0,0,0|1,0,1]=4 968 B8R0.7 O=C(O)CCCCCF MCULE-6736431365 [1,1,0,0,0,0|1,0,1]=4 969 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [1,1,0,0,0,0|0,0,1]=3 970 B8R0.7 O=C(O)CCCCCS MCULE-1414350107 [1,1,0,0,0,0|0,1,1]=4 971 B8R0.7 O=C(O)CCNCCO MCULE-6594831168 [1,1,0,0,0,0|0,0,1]=3 972 B8R0.7 O=C(O)CCOCCBr MCULE-8991363781 [1,1,0,0,0,0|1,0,1]=4 973 B8R0.7 O=C(O)CCOCCO MCULE-7271806926 [1,1,0,0,0,0|0,0,1]=3 974 B8R0.7 O=C(O)CCOCCS MCULE-2136117046 [1,1,0,0,0,0|0,1,1]=4 975 B8R0.7 O=C(O)CCSCCO MCULE-4689447674 [1,1,0,0,0,0|0,0,1]=3 976 B8R0.7 O=C(O)COCCCBr MCULE-2393807719 [1,1,0,0,0,0|1,0,1]=4 977 B8R0.7 O=C([O-])CCCCCO MCULE-5897469112 [1,1,0,0,0,0|0,0,2]=4 978 B8R0.7 O=C([O-])CCCCCO MCULE-9397608140 [1,1,0,0,0,0|0,0,2]=4 979 B8R0.7 O=CCCCCC(=O)O MCULE-8762346998 [1,1,0,0,0,0|0,0,0]=2 980 B8R0.7 O=CNCCCC(=O)O MCULE-9120755173 [1,1,0,0,0,0|0,0,0]=2 981 B8R0.8 C#CCCC(N)C(=O)O MCULE-2306841483 [1,1,0,0,0,0|1,0,1]=4 982 B8R0.8 C#CCCC(O)C(=O)O MCULE-1983462487 [1,1,0,0,0,0|1,0,1]=4 983 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-3328230047 [1,1,0,0,0,0|1,0,1]=4 984 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-8588363102 [1,1,0,0,0,0|1,0,1]=4 985 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-3269292516 [1,1,0,0,0,0|1,0,1]=4 986 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6769399323 [1,1,0,0,0,0|1,0,1]=4 987 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6930343823 [1,1,0,0,0,0|1,0,1]=4 988 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-9522590396 [1,1,0,0,0,0|1,0,1]=4 989 B8R0.8 C=CCCC(=O)C(=O)O MCULE-8012003653 [1,1,0,0,0,0|1,0,1]=4 990 B8R0.8 C=CCCC(C)C(=O)N MCULE-4187602833 [1,1,0,0,0,0|2,0,0]=4 991 B8R0.8 C=CCCC(C)C(=O)O MCULE-3089071984 [1,1,0,0,0,0|1,0,0]=3 992 B8R0.8 C=CCCC(N)C(=O)N MCULE-3025865201 [1,1,0,0,0,0|2,0,0]=4 993 B8R0.8 C=CCCC(N)C(=O)N MCULE-6477490851 [1,1,0,0,0,0|2,0,0]=4 994 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [1,1,0,0,0,0|1,0,0]=3 995 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [1,1,0,0,0,0|1,0,0]=3 996 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [1,1,0,0,0,0|1,0,0]=3 997 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [1,1,0,0,0,0|1,0,0]=3 998 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [1,1,0,0,0,0|1,0,0]=3 999 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [1,1,0,0,0,0|1,0,0]=3 1000 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [1,1,0,0,0,0|1,0,0]=3 1001 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [1,1,0,0,0,0|1,0,0]=3 1002 B8R0.8 C=CCOC(C)C(=O)O MCULE-4801958900 [1,1,0,0,0,0|2,0,0]=4 1003 B8R0.8 C=CCSC(C)C(=O)O MCULE-4683246165 [1,1,0,0,0,0|2,0,0]=4 1004 B8R0.8 CC(CCCCl)C(=O)O MCULE-6504631587 [1,1,0,0,0,0|1,0,1]=4 1005 B8R0.8 CC(OCCO)C(=O)O MCULE-4305620136 [1,1,0,0,0,0|1,0,1]=4 1006 B8R0.8 CCCCC(Br)C(=O)O MCULE-5428502537 [1,1,0,0,0,0|1,0,1]=4 1007 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [1,1,0,0,0,0|1,0,1]=4 1008 B8R0.8 CCCCC(F)C(=O)O MCULE-2276381656 [1,1,0,0,0,0|1,0,1]=4 1009 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [1,1,0,0,0,0|1,0,1]=4 1010 B8R0.8 CCCCC(O)C(=O)O MCULE-2557585903 [1,1,0,0,0,0|1,0,1]=4 1011 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [1,1,0,0,0,0|1,0,1]=4 1012 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [1,1,0,0,0,0|1,0,1]=4 1013 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [1,1,0,0,0,0|1,0,1]=4 1014 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [1,1,0,0,0,0|1,0,1]=4 1015 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [1,1,0,0,0,0|1,0,1]=4 1016 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [1,1,0,0,0,0|1,0,1]=4 1017 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [1,1,0,0,0,0|1,0,1]=4 1018 B8R0.8 COCCC(C)C(=O)O MCULE-5066180613 [1,1,0,0,0,0|2,0,0]=4 1019 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [1,1,0,0,0,0|2,0,0]=4 1020 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [1,1,0,0,0,0|2,0,0]=4 1021 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [1,1,0,0,0,0|2,0,0]=4 1022 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [1,1,0,0,0,0|2,0,0]=4 1023 B8R0.8 CSCCC(O)C(=O)O MCULE-3684026487 [1,1,0,0,0,0|2,0,0]=4 1024 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [1,1,0,0,0,0|2,0,0]=4 1025 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [1,1,0,0,0,0|2,0,0]=4 1026 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [1,1,0,0,0,0|2,0,0]=4 1027 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [1,1,0,0,0,0|2,0,0]=4 1028 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [1,1,0,0,0,0|2,0,0]=4 1029 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [1,1,0,0,0,0|2,0,0]=4 1030 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [1,1,0,0,0,0|2,0,0]=4 1031 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [1,1,0,0,0,0|2,0,0]=4 1032 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [1,1,0,0,0,0|0,0,1]=3 1033 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [1,1,0,0,0,0|1,0,1]=4 1034 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [1,1,0,0,0,0|1,0,1]=4 1035 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [1,1,0,0,0,0|1,0,1]=4 1036 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [1,1,0,0,0,0|1,0,1]=4 1037 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [1,1,0,0,0,0|1,0,1]=4 1038 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [1,1,0,0,0,0|1,0,1]=4 1039 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [1,1,0,0,0,0|1,0,1]=4 1040 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [1,1,0,0,0,0|1,0,1]=4 1041 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [1,1,0,0,0,0|1,0,1]=4 1042 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [1,1,0,0,0,0|1,0,1]=4 1043 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [1,1,0,0,0,0|1,0,1]=4 1044 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [1,1,0,0,0,0|1,0,1]=4 1045 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [1,1,0,0,0,0|1,0,1]=4 1046 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [1,1,0,0,0,0|1,0,1]=4 1047 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [1,1,0,0,0,0|1,0,1]=4 1048 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [1,1,0,0,0,0|1,0,1]=4 1049 B8R0.8 NOCCC(N)C(=O)O MCULE-1540658941 [1,1,0,0,0,0|2,0,0]=4 1050 B8R0.8 NOCCC(N)C(=O)O MCULE-3729513992 [1,1,0,0,0,0|2,0,0]=4 1051 B8R0.8 NOCC[C@@H](N)C(=O)O MCULE-3273727827 [1,1,0,0,0,0|2,0,0]=4 1052 B8R0.8 NOCC[C@H](N)C(=O)O MCULE-2315172974 [1,1,0,0,0,0|2,0,0]=4 1053 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [1,1,0,0,0,0|0,0,1]=3 1054 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [1,1,0,0,0,0|0,0,1]=3 1055 B8R0.8 O=C(O)C(O)CCCO MCULE-9386031706 [1,1,0,0,0,0|0,0,1]=3 1056 B8R0.8 O=C([O-])C(O)CCCO MCULE-5137868319 [1,1,0,0,0,0|0,0,2]=4 1057 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [1,1,0,0,0,0|1,0,0]=3 1058 B8R0.8 [C@H](N)(CCON)C(=O)O MCULE-1309966773 [1,1,0,0,0,0|2,0,0]=4 1059 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [1,1,0,0,0,0|1,0,0]=3 1060 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [1,1,0,0,0,0|1,0,0]=3 1061 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [1,1,0,0,0,0|1,0,0]=3 1062 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [1,1,0,0,0,0|1,0,0]=3 1063 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [1,1,0,0,0,0|1,0,0]=3 1064 B8R0.9 CC(=NO)CCC(=O)O MCULE-2481442220 [1,1,0,0,0,0|1,0,1]=4 1065 B8R0.9 CC(C#N)CCC(=O)O MCULE-6867167636 [1,1,0,0,0,0|1,0,1]=4 1066 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [1,1,0,0,0,0|1,0,1]=4 1067 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [1,1,0,0,0,0|1,0,1]=4 1068 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [1,1,0,0,0,0|1,0,1]=4 1069 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [1,1,0,0,0,0|1,0,1]=4 1070 B8R0.9 COC(C)CCC(=O)O MCULE-5873043454 [1,1,0,0,0,0|2,0,0]=4 1071 B8R0.9 CSC(C)CCC(=O)O MCULE-3505570511 [1,1,0,0,0,0|2,0,0]=4 1072 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [1,1,0,0,0,0|1,0,1]=4 1073 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [1,1,0,0,0,0|1,0,1]=4 1074 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [1,1,0,0,0,0|1,0,1]=4 1075 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [1,1,0,0,0,0|0,0,1]=3 1076 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [1,1,0,0,0,0|0,0,1]=3 1077 B8R0.9 O=C(O)CCC(=O)NO MCULE-2226202964 [1,1,0,0,0,0|1,0,1]=4 1078 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [1,1,0,0,0,0|1,0,1]=4 1079 B8R0.21 O=S(=O)(O)CCCCO MCULE-7293075600 [1,1,0,0,0,0|1,0,1]=4 1080 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [0,1,0,0,1,0|0,0,2]=4 1081 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [0,1,0,0,1,0|2,0,0]=4 1082 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [0,1,0,0,1,0|0,0,2]=4 1083 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [0,1,0,0,1,0|0,0,2]=4 1084 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [0,1,0,0,1,0|2,0,0]=4 1085 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [0,1,0,0,1,0|2,0,0]=4 1086 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [0,1,0,0,1,0|2,0,0]=4 1087 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [0,1,0,0,1,0|2,0,0]=4 1088 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [0,1,0,0,1,0|2,0,0]=4 1089 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,1,0,0,1,0|2,0,0]=4 1090 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,1,0,0,1,0|2,0,0]=4 1091 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,1,0,0,1,0|2,0,0]=4 1092 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,1,0,0,1,0|2,0,0]=4 1093 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,1,0,0,1,0|2,0,0]=4 1094 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,1,0,0,1,0|2,0,0]=4 1095 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,1,0,0,1,0|2,0,0]=4 1096 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,1,0,0,1,0|2,0,0]=4 1097 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [0,1,0,0,1,0|0,0,1]=3 1098 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [0,1,0,0,1,0|2,0,0]=4 1099 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [0,1,0,0,1,0|2,0,0]=4 1100 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [0,1,0,0,1,0|0,0,2]=4 1101 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,1,0,0,1,0|1,0,0]=3 1102 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,1,0,0,1,0|1,0,0]=3 1103 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,1,0,0,1,0|1,0,0]=3 1104 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,1,0,0,1,0|1,0,0]=3 1105 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,1,0,0,1,0|1,0,0]=3 1106 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [0,1,0,0,1,0|2,0,0]=4 1107 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,1,0,0,1,0|1,0,0]=3 1108 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,1,0,0,1,0|2,0,0]=4 1109 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,1,0,0,1,0|2,0,0]=4 1110 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,1,0,0,1,0|2,0,0]=4 1111 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,1,0,0,1,0|2,0,0]=4 1112 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,1,0,0,1,0|2,0,0]=4 1113 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,1,0,0,1,0|2,0,0]=4 1114 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,1,0,0,1,0|2,0,0]=4 1115 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,1,0,0,1,0|2,0,0]=4 1116 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,1,0,0,1,0|2,0,0]=4 1117 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,1,0,0,1,0|2,0,0]=4 1118 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,1,0,0,1,0|2,0,0]=4 1119 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,1,0,0,1,0|2,0,0]=4 1120 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,1,0,0,1,0|2,0,0]=4 1121 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [0,1,0,0,1,0|2,0,0]=4 1122 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,1,0,0,1,0|1,0,0]=3 1123 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,1,0,0,1,0|0,0,0]=2 1124 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,1,0,0,1,0|0,0,0]=2 1125 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [0,1,0,0,1,0|2,0,0]=4 1126 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [0,1,0,0,1,0|2,0,0]=4 1127 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,1,0,0,1,0|1,0,1]=4 1128 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,1,0,0,1,0|1,0,1]=4 1129 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [0,1,0,0,1,0|2,0,0]=4 1130 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [0,1,0,0,1,0|2,0,0]=4 1131 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [0,1,0,0,1,0|2,0,0]=4 1132 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [0,1,0,0,1,0|2,0,0]=4 1133 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,1,0,0,1,0|0,0,0]=2 1134 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,1,0,0,1,0|0,0,0]=2 1135 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,1,0,0,1,0|1,0,1]=4 1136 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,1,0,0,1,0|1,0,1]=4 1137 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,1,0,0,1,0|1,0,1]=4 1138 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,1,0,0,1,0|1,0,1]=4 1139 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,1,0,0,1,0|1,0,1]=4 1140 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,1,0,0,1,0|1,0,1]=4 1141 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,1,0,0,1,0|0,0,0]=2 1142 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,1,0,0,1,0|0,0,0]=2 1143 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [0,1,0,0,1,0|2,0,0]=4 1144 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,1,0,0,1,0|1,0,1]=4 1145 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [0,1,0,0,1,0|2,0,0]=4 1146 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,1,0,0,1,0|1,0,0]=3 1147 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,1,0,0,1,0|1,0,0]=3 1148 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,1,0,0,1,0|1,0,0]=3 1149 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [0,1,0,0,1,0|2,0,0]=4 1150 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,1,0,0,1,0|1,0,0]=3 1151 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,1,0,0,1,0|1,0,0]=3 1152 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [0,1,0,0,1,0|2,0,0]=4 1153 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [0,1,0,0,1,0|2,0,0]=4 1154 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [0,1,0,0,1,0|2,0,0]=4 1155 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [0,1,0,0,1,0|2,0,0]=4 1156 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,1,0,0,1,0|1,0,0]=3 1157 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,1,0,0,1,0|1,0,0]=3 1158 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [0,1,0,0,1,0|2,0,0]=4 1159 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,1,0,0,1,0|1,0,0]=3 1160 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,1,0,0,1,0|1,0,0]=3 1161 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,1,0,0,1,0|1,0,0]=3 1162 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,1,0,0,1,0|1,0,0]=3 1163 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,1,0,0,1,0|1,0,0]=3 1164 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,1,0,0,1,0|1,0,0]=3 1165 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,1,0,0,1,0|0,0,0]=2 1166 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,1,0,0,1,0|0,0,0]=2 1167 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,1,0,0,1,0|0,0,1]=3 1168 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,1,0,0,1,0|0,0,1]=3 1169 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,1,0,0,1,0|0,0,1]=3 1170 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [0,1,0,0,1,0|0,0,2]=4 1171 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [0,1,0,0,1,0|0,0,2]=4 1172 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,1,0,0,1,0|0,0,0]=2 1173 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,1,0,0,1,0|0,0,0]=2 1174 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,1,0,0,1,0|0,0,1]=3 1175 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,1,0,0,1,0|0,0,1]=3 1176 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [0,1,0,0,1,0|0,0,2]=4 1177 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [0,1,0,0,1,0|0,0,2]=4 1178 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [0,1,0,0,1,0|0,0,2]=4 1179 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [0,1,0,0,1,0|0,0,2]=4 1180 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [0,1,0,0,1,0|0,0,2]=4 1181 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,1,0,0,1,0|1,0,0]=3 1182 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,1,0,0,1,0|1,0,0]=3 1183 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,1,0,0,1,0|0,0,0]=2 1184 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [0,1,0,0,1,0|0,0,2]=4 1185 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [0,1,0,0,1,0|0,0,2]=4 1186 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [0,1,0,0,1,0|0,0,2]=4 1187 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [0,1,0,0,1,0|0,0,1]=3 1188 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,1,0,0,1,0|0,0,0]=2 1189 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,1,0,0,1,0|0,0,0]=2 1190 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,1,0,0,1,0|0,0,0]=2 1191 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,1,0,0,1,0|0,0,0]=2 1192 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,1,0,0,1,0|0,0,0]=2 1193 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,1,0,0,1,0|0,0,0]=2 1194 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,1,0,0,1,0|0,0,0]=2 1195 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,1,0,0,1,0|0,0,0]=2 1196 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,1,0,0,1,0|0,0,0]=2 1197 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,1,0,0,1,0|0,0,0]=2 1198 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,1,0,0,1,0|0,0,0]=2 1199 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,1,0,0,1,0|0,0,0]=2 1200 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,1,0,0,1,0|0,0,0]=2 1201 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,1,0,0,1,0|0,0,0]=2 1202 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,1,0,0,1,0|0,0,0]=2 1203 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,1,0,0,1,0|0,0,0]=2 1204 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,1,0,0,1,0|0,0,1]=3 1205 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,1,0,0,1,0|0,0,0]=2 1206 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [0,1,0,0,1,0|2,0,0]=4 1207 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,1,0,0,1,0|0,0,0]=2 1208 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [0,1,0,0,1,0|2,0,0]=4 1209 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [0,1,0,0,1,0|1,0,1]=4 1210 B8R0.23 [NH3+][C@@H](CC(=O)[O-])C(=O)[O-] MCULE-1215535631 [0,1,0,0,1,0|0,0,2]=4 1211 B8R0.29 CP(=O)(C)CCC(=O)O MCULE-4161237740 [0,1,0,0,1,0|2,0,0]=4 1212 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [0,1,0,0,1,0|1,0,0]=3 1213 B8R0.29 CS(=O)(=O)CCC(=O)O MCULE-6100062469 [0,1,0,0,1,0|1,0,1]=4 1214 B8R0.29 NS(=O)(=O)CCC(=O)O MCULE-7062523969 [0,1,0,0,1,0|1,0,1]=4 1215 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [0,1,0,0,1,0|1,0,0]=3 1216 B8R0.29 O=C(O)CCS(=O)(=O)O MCULE-8973025218 [0,1,0,0,1,0|1,0,0]=3 1217 B10R0.15 CC(=O)NCCCS(=O)(=O)O MCULE-7054277430 [0,1,0,0,0,1|2,0,0]=4 1218 B10R0.15 CS(=O)(=O)NCCCC(=O)O MCULE-9615507449 [0,1,0,0,0,1|1,0,1]=4 1219 B10R0.15 CS(=O)(=S)OCCCC(=O)O MCULE-1884275676 [0,1,0,0,0,1|1,1,0]=4 1220 B10R0.15 NC(=O)CNCCS(=O)(=O)O MCULE-4191456438 [0,1,0,0,0,1|2,0,0]=4 1221 B10R0.15 NS(=O)(=O)NCCCC(=O)O MCULE-4104736072 [0,1,0,0,0,1|1,0,1]=4 1222 B10R0.15 O=C(O)CCCCP(=O)(O)O MCULE-9230270330 [0,1,0,0,0,1|1,0,0]=3 1223 B10R0.55 C=CC(=O)NCCCC(=O)O MCULE-4876378657 [0,1,0,0,0,1|1,0,0]=3 1224 B10R0.55 CCC(=O)CCCCC(=O)O MCULE-8497826453 [0,1,0,0,0,1|1,0,0]=3 1225 B10R0.55 CCC(=O)NCCCC(=O)O MCULE-4434353680 [0,1,0,0,0,1|1,0,0]=3 1226 B10R0.55 CNC(=O)CCCCC(=O)O MCULE-3369426299 [0,1,0,0,0,1|1,0,0]=3 1227 B10R0.55 COC(=O)CCCCC(=O)C MCULE-8144817566 [0,1,0,0,0,1|1,0,0]=3 1228 B10R0.55 COC(=O)CCCCC(=O)Cl MCULE-8505175389 [0,1,0,0,0,1|1,0,0]=3 1229 B10R0.55 COC(=O)CCCCC(=O)O MCULE-2104484744 [0,1,0,0,0,1|0,0,0]=2 1230 B10R0.55 COC(=O)CCCCN(=O)=O MCULE-6729844099 [0,1,0,0,0,1|1,0,1]=4 1231 B10R0.55 COC(=O)CSCCC(=S)N MCULE-7692304295 [0,1,0,0,0,1|1,1,0]=4 1232 B10R0.55 COC(=O)NCCCC(=O)O MCULE-4986877538 [0,1,0,0,0,1|0,0,0]=2 1233 B10R0.55 NCC(=O)NCCCC(=O)O MCULE-6161493754 [0,1,0,0,0,1|1,0,0]=3 1234 B10R0.55 O=C(O)CCCNC(=O)CCl MCULE-4514491154 [0,1,0,0,0,1|1,0,0]=3 1235 B10R0.96 CC(=O)CC(=O)CCC(=O)O MCULE-6445854186 [0,1,0,0,0,1|1,0,0]=3 1236 B10R0.96 CC(=O)CC(=O)NCC(=O)O MCULE-8793325864 [0,1,0,0,0,1|1,0,1]=4 1237 B10R0.96 CC(CCC(=O)O)CC(=O)O MCULE-7386549049 [0,1,0,0,0,1|0,0,0]=2 1238 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-1721699813 [0,1,0,0,0,1|0,0,0]=2 1239 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-7525360323 [0,1,0,0,0,1|0,0,0]=2 1240 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-3003314518 [0,1,0,0,0,1|1,0,0]=3 1241 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-7683510788 [0,1,0,0,0,1|1,0,0]=3 1242 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8316748928 [0,1,0,0,0,1|1,0,0]=3 1243 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8667775229 [0,1,0,0,0,1|1,0,0]=3 1244 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-2836546299 [0,1,0,0,0,1|1,0,0]=3 1245 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4298371176 [0,1,0,0,0,1|1,0,0]=3 1246 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4441176096 [0,1,0,0,0,1|1,0,0]=3 1247 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-5599562900 [0,1,0,0,0,1|1,0,0]=3 1248 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8155260586 [0,1,0,0,0,1|0,0,0]=2 1249 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8574900055 [0,1,0,0,0,1|0,0,0]=2 1250 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-5068946859 [0,1,0,0,0,1|0,0,0]=2 1251 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8151605170 [0,1,0,0,0,1|0,0,0]=2 1252 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8505675120 [0,1,0,0,0,1|0,0,0]=2 1253 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-9871725008 [0,1,0,0,0,1|0,0,0]=2 1254 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-3923729315 [0,1,0,0,0,1|0,0,0]=2 1255 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-6851763365 [0,1,0,0,0,1|0,0,0]=2 1256 B10R0.98 CC(=O)CCCC(C)C(=O)O MCULE-5760169093 [0,1,0,0,0,1|1,0,0]=3 1257 B10R0.98 CC(=O)N(C)CCCC(=O)O MCULE-1764265267 [0,1,0,0,0,1|1,0,0]=3 1258 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-5384056558 [0,1,0,0,0,1|1,0,0]=3 1259 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-9151560319 [0,1,0,0,0,1|1,0,0]=3 1260 B10R0.98 CC(=O)OCCC(Cl)C(=O)C MCULE-5825336009 [0,1,0,0,0,1|2,0,0]=4 1261 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-7691334763 [0,1,0,0,0,1|1,0,0]=3 1262 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-9993433450 [0,1,0,0,0,1|1,0,0]=3 1263 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-5425852779 [0,1,0,0,0,1|1,0,0]=3 1264 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-6909234177 [0,1,0,0,0,1|1,0,0]=3 1265 B10R0.98 CC(CCCC(=O)Cl)C(=O)Cl MCULE-7532082954 [0,1,0,0,0,1|2,0,0]=4 1266 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-2234773343 [0,1,0,0,0,1|2,0,0]=4 1267 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-9635728361 [0,1,0,0,0,1|2,0,0]=4 1268 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-5360635274 [0,1,0,0,0,1|2,0,0]=4 1269 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-7633853490 [0,1,0,0,0,1|2,0,0]=4 1270 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-3021567253 [0,1,0,0,0,1|0,0,0]=2 1271 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-7434229402 [0,1,0,0,0,1|0,0,0]=2 1272 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-8474963048 [0,1,0,0,0,1|0,0,0]=2 1273 B10R0.98 NC(CSCC(=O)O)C(=O)O MCULE-1997609241 [0,1,0,0,0,1|0,0,0]=2 1274 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-1991686030 [0,1,0,0,0,1|0,0,0]=2 1275 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-6053925503 [0,1,0,0,0,1|0,0,0]=2 1276 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3291004829 [0,1,0,0,0,1|0,0,0]=2 1277 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3828091379 [0,1,0,0,0,1|0,0,0]=2 1278 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-3179500404 [0,1,0,0,0,1|0,0,0]=2 1279 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-9722366772 [0,1,0,0,0,1|0,0,0]=2 1280 B10R0.98 O=C(O)CCCC(=O)C(=O)O MCULE-5978557881 [0,1,0,0,0,1|0,0,0]=2 1281 B10R0.98 O=C(O)CCCC(O)C(=O)O MCULE-5970708862 [0,1,0,0,0,1|0,0,0]=2 1282 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O MCULE-4157551693 [0,1,0,0,0,1|0,0,0]=2 1283 B10R0.98 O=C(O)CONC(=O)C(=O)O MCULE-7932028761 [0,1,0,0,0,1|1,0,1]=4 1284 B10R0.98 O=C([O-])CCCC(O)C(=O)[O-] MCULE-7990606586 [0,1,0,0,0,1|0,0,2]=4 1285 B10R0.3 C=C(Br)CCCC(=O)OCC MCULE-1392736167 [0,2,0,0,0,0|2,0,0]=4 1286 B10R0.3 C=C(C)CCCC(=O)OCC MCULE-8269913859 [0,2,0,0,0,0|2,0,0]=4 1287 B10R0.3 C=C(Cl)CCCC(=O)OCC MCULE-5869761221 [0,2,0,0,0,0|2,0,0]=4 1288 B10R0.3 CCCC(=O)CCCC(=O)O MCULE-5554652459 [0,2,0,0,0,0|1,0,0]=3 1289 B10R0.3 CCCC(=O)NCCC(=O)O MCULE-9942655490 [0,2,0,0,0,0|2,0,0]=4 1290 B10R0.3 CCCC(O)CCCC(=O)O MCULE-6567242953 [0,2,0,0,0,0|1,0,1]=4 1291 B10R0.3 CCNC(=O)CCCC(=O)O MCULE-4769569674 [0,2,0,0,0,0|1,0,0]=3 1292 B10R0.3 CCNC(=O)COCC(=O)O MCULE-7645741656 [0,2,0,0,0,0|2,0,0]=4 1293 B10R0.3 CCOC(=O)CCCC(=O)C MCULE-7629371322 [0,2,0,0,0,0|1,0,0]=3 1294 B10R0.3 CCOC(=O)CCCC(=O)Cl MCULE-7647030650 [0,2,0,0,0,0|1,0,0]=3 1295 B10R0.3 CCOC(=O)CCCC(=O)O MCULE-2798972740 [0,2,0,0,0,0|0,0,0]=2 1296 B10R0.3 CCOC(=O)CCCC(C)O MCULE-4085625939 [0,2,0,0,0,0|1,0,1]=4 1297 B10R0.3 CCOC(=O)CCCN(=O)=O MCULE-9709858397 [0,2,0,0,0,0|1,0,1]=4 1298 B10R0.3 CCOC(=O)CCNC(=O)N MCULE-2375342374 [0,2,0,0,0,0|2,0,0]=4 1299 B10R0.3 CCOC(=O)CNCC(=O)N MCULE-5496236051 [0,2,0,0,0,0|2,0,0]=4 1300 B10R0.3 CCOC(=O)CSCC(=O)C MCULE-7116933404 [0,2,0,0,0,0|2,0,0]=4 1301 B10R0.3 CCOC(=O)NCCC(=O)O MCULE-9904189111 [0,2,0,0,0,0|1,0,0]=3 1302 B10R0.3 COCC(=O)NCCC(=O)O MCULE-3760984567 [0,2,0,0,0,0|1,0,0]=3 1303 B10R0.3 NCCC(=O)NCCC(=O)O MCULE-9840310477 [0,2,0,0,0,0|2,0,0]=4 1304 B10R0.3 O=C(O)CCNC(=O)C=CCl MCULE-6188251782 [0,2,0,0,0,0|2,0,0]=4 1305 B10R0.44 COC(=O)CC(=O)CC(=O)C MCULE-5860600017 [0,2,0,0,0,0|1,0,1]=4 1306 B10R0.44 COC(=O)CC(C)CC(=O)O MCULE-2040975724 [0,2,0,0,0,0|0,0,0]=2 1307 B10R0.44 COC(=O)CC(C)CC(=O)O MCULE-8664626816 [0,2,0,0,0,0|0,0,0]=2 1308 B10R0.44 COC(=O)CC(C)CN(=O)=O MCULE-4396470018 [0,2,0,0,0,0|1,0,1]=4 1309 B10R0.44 COC(=O)C[C@H](C)CC(=O)O MCULE-3674114279 [0,2,0,0,0,0|0,0,0]=2 1310 B10R0.44 COC(=O)C[C@H](C)CC(=O)O MCULE-7834226828 [0,2,0,0,0,0|0,0,0]=2 1311 B10R0.57 C(N)(CCC(=O)O)C(=O)OC MCULE-6082605624 [0,2,0,0,0,0|0,0,0]=2 1312 B10R0.57 COC(=O)C(N)CCC(=O)N MCULE-3871381696 [0,2,0,0,0,0|1,0,0]=3 1313 B10R0.57 COC(=O)C(N)CCC(=O)N MCULE-6424537354 [0,2,0,0,0,0|1,0,0]=3 1314 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-3294558028 [0,2,0,0,0,0|0,0,0]=2 1315 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-4645787805 [0,2,0,0,0,0|0,0,0]=2 1316 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-8573479107 [0,2,0,0,0,0|0,0,0]=2 1317 B10R0.57 COC(=O)[C@@H](C)CSC(=O)C MCULE-1724066289 [0,2,0,0,0,0|2,0,0]=4 1318 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-2647128583 [0,2,0,0,0,0|1,0,0]=3 1319 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-3301910394 [0,2,0,0,0,0|1,0,0]=3 1320 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-6377888321 [0,2,0,0,0,0|1,0,0]=3 1321 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-8642069122 [0,2,0,0,0,0|1,0,0]=3 1322 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O MCULE-3694424519 [0,2,0,0,0,0|0,0,0]=2 1323 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O MCULE-3908913342 [0,2,0,0,0,0|0,0,0]=2 1324 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-3332396919 [0,2,0,0,0,0|1,0,0]=3 1325 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-4801234666 [0,2,0,0,0,0|1,0,0]=3 1326 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-5791932848 [0,2,0,0,0,0|1,0,0]=3 1327 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-7827323262 [0,2,0,0,0,0|1,0,0]=3 1328 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-4899971591 [0,2,0,0,0,0|0,0,0]=2 1329 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-5340713177 [0,2,0,0,0,0|0,0,0]=2 1330 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-6573369964 [0,2,0,0,0,0|0,0,0]=2 1331 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-9402335659 [0,2,0,0,0,0|0,0,0]=2 1332 B10R0.57 NCC(=O)C(N)CCC(=O)O MCULE-6909697909 [0,2,0,0,0,0|1,0,0]=3 1333 B10R0.59 C=CC(=O)NCCC(=O)OC MCULE-8444849082 [0,2,0,0,0,0|2,0,0]=4 1334 B10R0.59 CCC(=O)CCCC(=O)OC MCULE-7955202588 [0,2,0,0,0,0|1,0,0]=3 1335 B10R0.59 COC(=O)/C=C/CC(=O)OC MCULE-2598986335 [0,2,0,0,0,0|0,0,2]=4 1336 B10R0.59 COC(=O)C=CCC(=O)OC MCULE-6346302604 [0,2,0,0,0,0|0,0,2]=4 1337 B10R0.59 COC(=O)CCCC(=O)OC MCULE-2878617545 [0,2,0,0,0,0|0,0,0]=2 1338 B10R0.59 COC(=O)CCNC(=O)CCl MCULE-5124733285 [0,2,0,0,0,0|2,0,0]=4 1339 B10R0.59 COC(=O)CNCC(=O)OC MCULE-3401515573 [0,2,0,0,0,0|1,0,0]=3 1340 B10R0.59 COC(=O)CNCC(=O)OC MCULE-3413946177 [0,2,0,0,0,0|1,0,0]=3 1341 B10R0.59 COC(=O)COCC(=O)OC MCULE-3118275828 [0,2,0,0,0,0|1,0,0]=3 1342 B10R0.59 COC(=O)CSCC(=O)OC MCULE-6016703912 [0,2,0,0,0,0|1,0,0]=3 1343 B10R0.59 N/C(=N\O)/CCC/C(=N\O)/N MCULE-5486280089 [0,2,0,0,0,0|2,0,0]=4 1344 B10R0.59 NNC(=O)CCCC(=O)NN MCULE-1807411173 [0,2,0,0,0,0|2,0,0]=4 1345 B10R0.60 COC(=O)CCCP(=O)(O)O MCULE-1591689771 [0,2,0,0,0,0|1,0,0]=3 1346 B10R0.60 COC(=O)CCCS(=O)(=O)C MCULE-4049393420 [0,2,0,0,0,0|1,0,1]=4 1347 B10R0.60 COC(=O)CCCS(=O)(=O)Cl MCULE-9562626076 [0,2,0,0,0,0|1,0,1]=4 1348 B10R0.60 COC(=O)CCCS(=O)(=O)N MCULE-3056838086 [0,2,0,0,0,0|1,0,1]=4 1349 B10R0.60 COC(=O)CNCP(=O)(O)O MCULE-3846537792 [0,2,0,0,0,0|2,0,0]=4 1350 B10R0.60 O=CN(O)CCCP(=O)(O)O MCULE-2546868747 [0,2,0,0,0,0|2,0,0]=4 1351 B10R0.60 O=CN(O)CCCP(=O)([O-])O MCULE-1343930312 [0,2,0,0,0,0|2,0,0]=4 1352 B10R0.65 CNS(=O)(=O)CCCC(=O)O MCULE-3412957806 [0,2,0,0,0,0|1,0,1]=4 1353 B10R0.82 CNC(=O)CCC(N)C(=O)O MCULE-2815144960 [0,2,0,0,0,0|1,0,0]=3 1354 B10R0.82 COC(=O)CCC(N)C(=O)N MCULE-2008488408 [0,2,0,0,0,0|1,0,0]=3 1355 B10R0.82 COC(=O)CCC(N)C(=O)N MCULE-4056733947 [0,2,0,0,0,0|1,0,0]=3 1356 B10R0.82 COC(=O)CCC(N)C(=O)O MCULE-1417445261 [0,2,0,0,0,0|0,0,0]=2 1357 B10R0.82 COC(=O)CCC(N)C(=O)O MCULE-1495018790 [0,2,0,0,0,0|0,0,0]=2 1358 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O MCULE-3233905582 [0,2,0,0,0,0|0,0,0]=2 1359 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O MCULE-4870656159 [0,2,0,0,0,0|0,0,0]=2 1360 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-4563541396 [0,2,0,0,0,0|1,0,0]=3 1361 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-5542631622 [0,2,0,0,0,0|1,0,0]=3 1362 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-5671338567 [0,2,0,0,0,0|1,0,0]=3 1363 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-7766792787 [0,2,0,0,0,0|1,0,0]=3 1364 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-1607830290 [0,2,0,0,0,0|0,0,0]=2 1365 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-7380350089 [0,2,0,0,0,0|0,0,0]=2 1366 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-7654158848 [0,2,0,0,0,0|0,0,0]=2 1367 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-8680968839 [0,2,0,0,0,0|0,0,0]=2 1368 B10R0.82 NC(CCC(=O)NO)C(=O)O MCULE-9353366308 [0,2,0,0,0,0|0,0,0]=2 1369 B10R0.82 NC(CCP(=O)CO)C(=O)O MCULE-2901685887 [0,2,0,0,0,0|1,0,0]=3 1370 B10R0.82 NC(CCP(=O)CO)C(=O)[O-] MCULE-4812114882 [0,2,0,0,0,0|1,0,1]=4 1371 B10R0.82 NCC(O)CCC(N)C(=O)O MCULE-6064290143 [0,2,0,0,0,0|1,0,1]=4 1372 B10R0.82 NCC(O)CCC(N)C(=O)O MCULE-6546706417 [0,2,0,0,0,0|1,0,1]=4 1373 B10R0.82 NCC(O)CC[C@H](N)C(=O)O MCULE-4925093695 [0,2,0,0,0,0|1,0,1]=4 1374 B10R0.82 NCC(O)CC[C@H](N)C(=O)O MCULE-7103430731 [0,2,0,0,0,0|1,0,1]=4 1375 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O MCULE-1390178110 [0,2,0,0,0,0|1,0,1]=4 1376 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O MCULE-7788161688 [0,2,0,0,0,0|1,0,1]=4 1377 B10R0.12 O=C(O)CCC(=O)P(=O)(O)O MCULE-3743459791 [0,2,0,0,0,0|1,0,1]=4 1378 B10R0.13 CC(=O)C(C)C(C)CC(=O)O MCULE-2467523561 [0,2,0,0,0,0|1,0,0]=3 1379 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MCULE-2960070749 [0,2,0,0,0,0|2,0,0]=4 1380 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MCULE-7223559986 [0,2,0,0,0,0|2,0,0]=4 1381 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-3196057448 [0,2,0,0,0,0|2,0,0]=4 1382 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-4987228190 [0,2,0,0,0,0|2,0,0]=4 1383 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-8785750681 [0,2,0,0,0,0|2,0,0]=4 1384 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-9094583167 [0,2,0,0,0,0|2,0,0]=4 1385 B10R0.13 CN(CC(=O)O)C(=O)C(=O)O MCULE-2539412176 [0,2,0,0,0,0|1,0,1]=4 1386 B10R0.13 C[C@@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-3332620674 [0,2,0,0,0,0|0,0,0]=2 1387 B10R0.13 C[C@@H](CC(=O)O)[C@H](N)C(=O)O MCULE-1191810017 [0,2,0,0,0,0|0,0,0]=2 1388 B10R0.13 C[C@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-6898866017 [0,2,0,0,0,0|0,0,0]=2 1389 B10R0.13 C[C@H](CC(=O)O)[C@H](N)C(=O)O MCULE-5584040869 [0,2,0,0,0,0|0,0,0]=2 1390 B10R0.13 N[C@@H](C(=O)O)[C@H](O)CC(=O)O MCULE-6540374220 [0,2,0,0,0,0|0,0,0]=2 1391 B10R0.13 N[C@H](C(=O)O)[C@@H](F)CC(=O)O MCULE-4546449636 [0,2,0,0,0,0|0,0,0]=2 1392 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-4149978058 [0,2,0,0,0,0|0,0,1]=3 1393 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-8718049660 [0,2,0,0,0,0|0,0,1]=3 1394 B10R0.43 CC(=O)C(C)(C)CCC(=O)O MCULE-2019736202 [0,2,0,0,0,0|1,0,0]=3 1395 B10R0.43 CC(=O)CCC(C)(C)C(=O)O MCULE-7949244890 [0,2,0,0,0,0|1,0,0]=3 1396 B10R0.43 CC(=O)NCC(C)(C)C(=O)O MCULE-5666730658 [0,2,0,0,0,0|2,0,0]=4 1397 B10R0.43 CC(C)(CCC(=O)O)C(=O)O MCULE-3722680536 [0,2,0,0,0,0|0,0,0]=2 1398 B10R0.43 CC(C)(CCC(=O)O)N(=O)=O MCULE-3681024480 [0,2,0,0,0,0|1,0,1]=4 1399 B10R0.43 CC(C)(SCC(=O)O)C(=O)O MCULE-9761119610 [0,2,0,0,0,0|1,0,0]=3 1400 B10R0.43 CC(N)(CCC(=O)O)C(=O)O MCULE-3734637690 [0,2,0,0,0,0|0,0,0]=2 1401 B10R0.43 C[C@@](N)(CCC(=O)O)C(=O)O MCULE-5201150112 [0,2,0,0,0,0|0,0,0]=2 1402 B10R0.43 O=C(O)CCC(F)(F)C(=O)O MCULE-3909124499 [0,2,0,0,0,0|0,0,0]=2 1403 B10R0.84 CCC(CCC(=O)C)C(=O)O MCULE-2983781440 [0,2,0,0,0,0|1,0,0]=3 1404 B10R0.84 CCC(CCC(=O)Cl)C(=O)Cl MCULE-9973212610 [0,2,0,0,0,0|2,0,0]=4 1405 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-7159441787 [0,2,0,0,0,0|0,0,0]=2 1406 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-9982940361 [0,2,0,0,0,0|0,0,0]=2 1407 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)O MCULE-1463462281 [0,2,0,0,0,0|1,0,0]=3 1408 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-1322979818 [0,2,0,0,0,0|0,0,0]=2 1409 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-9405643691 [0,2,0,0,0,0|0,0,0]=2 1410 B10R0.84 CN[C@H](CCC(=O)N)C(=O)O MCULE-2123714471 [0,2,0,0,0,0|1,0,0]=3 1411 B10R0.84 CN[C@H](CCC(=O)O)C(=O)O MCULE-1735782000 [0,2,0,0,0,0|0,0,0]=2 1412 B10R0.84 NN=C(CCC(=O)O)C(=O)O MCULE-4661582416 [0,2,0,0,0,0|0,0,1]=3 1413 B10R0.92 CP(=O)(O)CCC(=O)C(=O)O MCULE-1980572351 [0,2,0,0,0,0|1,0,1]=4 1414 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-1038057082 [0,2,0,0,0,0|1,0,0]=3 1415 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-7761179555 [0,2,0,0,0,0|1,0,0]=3 1416 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-2268954465 [0,2,0,0,0,0|2,0,0]=4 1417 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-2804558075 [0,2,0,0,0,0|2,0,0]=4 1418 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-7485004955 [0,2,0,0,0,0|2,0,0]=4 1419 B10R0.92 CS(=N)(=O)CC[C@@H](N)C(=O)O MCULE-3997574746 [0,2,0,0,0,0|2,0,0]=4 1420 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O MCULE-1068341907 [0,2,0,0,0,0|2,0,0]=4 1421 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O MCULE-3093123817 [0,2,0,0,0,0|2,0,0]=4 1422 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O MCULE-8107053430 [0,2,0,0,0,0|1,0,1]=4 1423 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O MCULE-1126326759 [0,2,0,0,0,0|1,0,1]=4 1424 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O MCULE-3558725435 [0,2,0,0,0,0|1,0,1]=4 1425 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O MCULE-2269540933 [0,2,0,0,0,0|1,0,1]=4 1426 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O MCULE-4203364916 [0,2,0,0,0,0|1,0,1]=4 1427 B10R0.92 NC(CCP(=O)(O)O)C(=O)O MCULE-2756478197 [0,2,0,0,0,0|1,0,0]=3 1428 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O MCULE-7377602601 [0,2,0,0,0,0|1,0,0]=3 1429 B10R0.92 NC(COP(=O)(O)O)C(=O)O MCULE-1695816394 [0,2,0,0,0,0|2,0,0]=4 1430 B10R0.92 NC(COS(=O)(=O)O)C(=O)O MCULE-5049646882 [0,2,0,0,0,0|2,0,0]=4 1431 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3863533502 [0,2,0,0,0,0|1,0,0]=3 1432 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3988880216 [0,2,0,0,0,0|1,0,0]=3 1433 B10R0.92 N[C@@H](CCS(=O)(=O)O)C(=O)O MCULE-8204260402 [0,2,0,0,0,0|1,0,0]=3 1434 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O MCULE-3199737084 [0,2,0,0,0,0|2,0,0]=4 1435 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O MCULE-4907212979 [0,2,0,0,0,0|2,0,0]=4 1436 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O MCULE-3746813647 [0,2,0,0,0,0|2,0,0]=4 1437 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O MCULE-9474608832 [0,2,0,0,0,0|2,0,0]=4 1438 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)O MCULE-5127296011 [0,2,0,0,0,0|2,0,0]=4 1439 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O MCULE-4319868114 [0,2,0,0,0,0|1,0,0]=3 1440 B10R0.92 N[C@H](CCP(=O)([O-])O)C(=O)O MCULE-5292220353 [0,2,0,0,0,0|1,0,0]=3 1441 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O MCULE-4002733556 [0,2,0,0,0,0|2,0,0]=4 1442 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O MCULE-5554704102 [0,2,0,0,0,0|2,0,0]=4 1443 B10R0.92 O=C(O)C(O)COP(=O)(O)O MCULE-4022388447 [0,2,0,0,0,0|2,0,0]=4 1444 B10R0.92 [C@H](N)(CSS(=O)(=O)O)C(=O)O MCULE-9668444815 [0,2,0,0,0,0|2,0,0]=4 1445 B10R0.93 CC(=CC(C)C(=O)O)C(=O)O MCULE-3307721023 [0,2,0,0,0,0|0,0,2]=4 1446 B10R0.93 CC(CC(C)C(=O)O)C(=O)O MCULE-1153209267 [0,2,0,0,0,0|0,0,0]=2 1447 B10R0.93 CC(CC(N)C(=O)O)C(=O)O MCULE-4117547649 [0,2,0,0,0,0|0,0,0]=2 1448 B10R0.93 CC(N[C@@H](C)C(=O)O)C(=O)O MCULE-6318508526 [0,2,0,0,0,0|1,0,0]=3 1449 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2754578678 [0,2,0,0,0,0|0,0,0]=2 1450 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-7169309772 [0,2,0,0,0,0|0,0,0]=2 1451 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6469307664 [0,2,0,0,0,0|1,0,0]=3 1452 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6602424535 [0,2,0,0,0,0|1,0,0]=3 1453 B10R0.93 NC(CC(F)C(=O)O)C(=O)O MCULE-9589470454 [0,2,0,0,0,0|0,0,0]=2 1454 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-1335465688 [0,2,0,0,0,0|0,0,0]=2 1455 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-4470732128 [0,2,0,0,0,0|0,0,0]=2 1456 B10R0.93 NC(CC(O)C(=O)O)C(=O)O MCULE-2122152001 [0,2,0,0,0,0|0,0,0]=2 1457 B10R0.93 N[C@@H](CC(F)C(=O)O)C(=O)O MCULE-2625841366 [0,2,0,0,0,0|0,0,0]=2 1458 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5445779612 [0,2,0,0,0,0|0,0,0]=2 1459 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-9351036941 [0,2,0,0,0,0|0,0,0]=2 1460 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-2660596864 [0,2,0,0,0,0|0,0,0]=2 1461 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-6180379673 [0,2,0,0,0,0|0,0,0]=2 1462 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-5145554613 [0,2,0,0,0,0|0,0,0]=2 1463 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-9443069690 [0,2,0,0,0,0|0,0,0]=2 1464 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2341577942 [0,2,0,0,0,0|0,0,0]=2 1465 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-4495746010 [0,2,0,0,0,0|0,0,0]=2 1466 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6284302068 [0,2,0,0,0,0|0,0,0]=2 1467 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6384488635 [0,2,0,0,0,0|0,0,0]=2 1468 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6724681365 [0,2,0,0,0,0|0,0,0]=2 1469 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-8957870380 [0,2,0,0,0,0|0,0,0]=2 1470 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-2217204949 [0,2,0,0,0,0|0,0,0]=2 1471 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8271752005 [0,2,0,0,0,0|0,0,0]=2 1472 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-3848928339 [0,2,0,0,0,0|0,0,0]=2 1473 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-4424451348 [0,2,0,0,0,0|0,0,0]=2 1474 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5729704628 [0,2,0,0,0,0|0,0,0]=2 1475 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-8441844155 [0,2,0,0,0,0|0,0,0]=2 1476 B10R0.93 N[C@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8040485498 [0,2,0,0,0,0|0,0,0]=2 1477 B10R0.93 O=C(O)C(Br)CC(Br)C(=O)O MCULE-2429859248 [0,2,0,0,0,0|0,0,0]=2 1478 B10R0.93 O=C(O)C(O)SC(O)C(=O)O MCULE-2925160633 [0,2,0,0,0,0|1,0,0]=3 1479 B10R0.70 CC(=O)O[C@H](CBr)CC(=O)O MCULE-9706634607 [0,2,0,0,0,0|2,0,0]=4 1480 B10R0.165 CC(=O)CC(C)(C)CC(=O)O MCULE-4874610800 [0,2,0,0,0,0|1,0,0]=3 1481 B10R0.165 CC(C)(CC(=O)O)CC(=O)O MCULE-3688310273 [0,2,0,0,0,0|0,0,0]=2 1482 B10R0.165 CC(C)(CC(=O)O)CN(=O)=O MCULE-7824488926 [0,2,0,0,0,0|1,0,1]=4 1483 B10R0.165 CC(O)(CC(=O)O)CC(=O)O MCULE-9846508304 [0,2,0,0,0,0|0,0,0]=2 1484 B10R0.165 O=C(O)CC(F)(F)CC(=O)O MCULE-1340481205 [0,2,0,0,0,0|0,0,0]=2 1485 B10R0.165 O=C(O)CS(=O)(=O)CC(=O)O MCULE-1359587275 [0,2,0,0,0,0|1,0,0]=3 1486 B10R0.113 O=P(O)(O)CCCP(=O)(O)O MCULE-6593590984 [0,2,0,0,0,0|2,0,0]=4 1487 B10R0.113 O=S(=O)(O)CCCS(=O)(=O)O MCULE-4099044124 [0,2,0,0,0,0|2,0,0]=4 1488 B8R1.1 C1(CCC(=O)N1)CO MCULE-8513534447 [1,0,0,1,0,0|1,0,1]=4 1489 B8R1.1 C1(CNC(=O)O1)CO MCULE-2451079587 [1,0,0,1,0,0|1,0,1]=4 1490 B8R1.1 C=CC1CCC(=O)N1 MCULE-7994900822 [1,0,0,1,0,0|2,0,0]=4 1491 B8R1.1 C=CC1COC(=O)O1 MCULE-3470962220 [1,0,0,1,0,0|2,0,0]=4 1492 B8R1.1 CCC1CCC(=O)O1 MCULE-5161861312 [1,0,0,1,0,0|1,0,1]=4 1493 B8R1.1 CC[C@@H]1CCC(=O)O1 MCULE-9831904901 [1,0,0,1,0,0|1,0,1]=4 1494 B8R1.1 NCC1CCC(=O)O1 MCULE-5413792723 [1,0,0,1,0,0|1,0,1]=4 1495 B8R1.1 NCC1CCC(=O)O1 MCULE-8312895206 [1,0,0,1,0,0|1,0,1]=4 1496 B8R1.1 O=C1CCC(C1)CO MCULE-7524267942 [1,0,0,1,0,0|1,0,1]=4 1497 B8R1.1 O=C1CCC(N1)CO MCULE-1498000761 [1,0,0,1,0,0|1,0,1]=4 1498 B8R1.1 O=C1CCC(O1)CBr MCULE-9370722806 [1,0,0,1,0,0|1,0,1]=4 1499 B8R1.1 O=C1CCC(O1)CCl MCULE-3199749385 [1,0,0,1,0,0|1,0,1]=4 1500 B8R1.1 O=C1CCC(O1)CI MCULE-4432096360 [1,0,0,1,0,0|1,0,1]=4 1501 B8R1.1 O=C1CCC(O1)CO MCULE-3178999726 [1,0,0,1,0,0|0,0,1]=3 1502 B8R1.1 O=C1CCC(O1)CO MCULE-4390773734 [1,0,0,1,0,0|0,0,1]=3 1503 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-2590805877 [1,0,0,1,0,0|1,0,1]=4 1504 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-7134607780 [1,0,0,1,0,0|1,0,1]=4 1505 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3021506643 [1,0,0,1,0,0|1,0,1]=4 1506 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3659077476 [1,0,0,1,0,0|1,0,1]=4 1507 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-1532290348 [1,0,0,1,0,0|0,0,1]=3 1508 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-3600746831 [1,0,0,1,0,0|0,0,1]=3 1509 B8R1.1 O=C1CC[C@H](N1)CO MCULE-4532009930 [1,0,0,1,0,0|1,0,1]=4 1510 B8R1.1 O=C1CC[C@H](N1)CO MCULE-6466848372 [1,0,0,1,0,0|1,0,1]=4 1511 B8R1.1 O=C1CC[C@H](O1)CO MCULE-1675076625 [1,0,0,1,0,0|0,0,1]=3 1512 B8R1.1 O=C1CC[C@H](O1)CO MCULE-6265569115 [1,0,0,1,0,0|0,0,1]=3 1513 B8R1.1 O=C1NCC(O1)CO MCULE-8225938772 [1,0,0,1,0,0|1,0,1]=4 1514 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-4749906822 [1,0,0,1,0,0|1,0,1]=4 1515 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-7879354917 [1,0,0,1,0,0|1,0,1]=4 1516 B8R1.1 O=C1NC[C@H](O1)CO MCULE-2698871687 [1,0,0,1,0,0|1,0,1]=4 1517 B8R1.1 O=C1NC[C@H](O1)CO MCULE-5771560221 [1,0,0,1,0,0|1,0,1]=4 1518 B8R1.1 O=C1OCC(O1)CO MCULE-1831262013 [1,0,0,1,0,0|1,0,1]=4 1519 B8R1.1 O=CC1COC(=O)C1 MCULE-7312168752 [1,0,0,1,0,0|2,0,0]=4 1520 B8R1.4 C=C1CCCC(=O)O1 MCULE-1342678884 [1,0,0,1,0,0|1,0,0]=3 1521 B8R1.4 CC1=CC(=O)CCC1 MCULE-6849313207 [1,0,0,1,0,0|2,0,0]=4 1522 B8R1.4 CC1=CCCC(=O)O1 MCULE-1590433845 [1,0,0,1,0,0|1,0,1]=4 1523 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [1,0,0,1,0,0|1,0,1]=4 1524 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [1,0,0,1,0,0|1,0,1]=4 1525 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [1,0,0,1,0,0|1,0,1]=4 1526 B8R1.4 NC1=CC(=O)CCC1 MCULE-3362548403 [1,0,0,1,0,0|2,0,0]=4 1527 B8R1.4 O=C1C=C(CCC1)Br MCULE-3733885681 [1,0,0,1,0,0|2,0,0]=4 1528 B8R1.4 O=C1C=C(CCC1)Cl MCULE-9612484193 [1,0,0,1,0,0|2,0,0]=4 1529 B8R1.4 O=C1C=C(CCC1)I MCULE-4085762002 [1,0,0,1,0,0|2,0,0]=4 1530 B8R1.4 O=C1C=C(CCC1)O MCULE-5615245957 [1,0,0,1,0,0|1,0,0]=3 1531 B8R1.4 O=C1C=C(COC1)O MCULE-2385941614 [1,0,0,1,0,0|2,0,0]=4 1532 B8R1.4 O=C1CCCC(=O)C1 MCULE-7494421285 [1,0,0,1,0,0|1,0,0]=3 1533 B8R1.4 O=C1CCCC(=O)N1 MCULE-7505150579 [1,0,0,1,0,0|1,0,0]=3 1534 B8R1.4 O=C1CCCC(=O)O1 MCULE-4866925975 [1,0,0,1,0,0|0,0,0]=2 1535 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [1,0,0,1,0,0|1,0,1]=4 1536 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [1,0,0,1,0,0|1,0,1]=4 1537 B8R1.4 O=C1CCNC(=O)C1 MCULE-7662080105 [1,0,0,1,0,0|2,0,0]=4 1538 B8R1.4 O=C1CCNC(=O)N1 MCULE-8986910982 [1,0,0,1,0,0|2,0,0]=4 1539 B8R1.4 O=C1CCNC(=O)O1 MCULE-8298722634 [1,0,0,1,0,0|1,0,0]=3 1540 B8R1.4 O=C1CCOC(=O)C1 MCULE-3134133687 [1,0,0,1,0,0|2,0,0]=4 1541 B8R1.4 O=C1CNCC(=O)C1 MCULE-9390215509 [1,0,0,1,0,0|2,0,0]=4 1542 B8R1.4 O=C1CNCC(=O)C1 MCULE-9631657912 [1,0,0,1,0,0|2,0,0]=4 1543 B8R1.4 O=C1CNCC(=O)N1 MCULE-2684405909 [1,0,0,1,0,0|2,0,0]=4 1544 B8R1.4 O=C1CNCC(=O)N1 MCULE-8918860650 [1,0,0,1,0,0|2,0,0]=4 1545 B8R1.4 O=C1COCC(=O)C1 MCULE-1763175933 [1,0,0,1,0,0|2,0,0]=4 1546 B8R1.4 O=C1COCC(=O)N1 MCULE-2640203723 [1,0,0,1,0,0|2,0,0]=4 1547 B8R1.4 O=C1COCC(=O)O1 MCULE-7640970930 [1,0,0,1,0,0|1,0,0]=3 1548 B8R1.4 O=C1CSCC(=O)C1 MCULE-7749510849 [1,0,0,1,0,0|2,0,0]=4 1549 B8R1.4 O=C1CSCC(=O)N1 MCULE-5124635458 [1,0,0,1,0,0|2,0,0]=4 1550 B8R1.4 O=C1CSCC(=O)O1 MCULE-6767203470 [1,0,0,1,0,0|1,0,0]=3 1551 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-6235987509 [1,0,0,1,0,0|2,0,0]=4 1552 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-9016019550 [1,0,0,1,0,0|2,0,0]=4 1553 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [1,0,0,1,0,0|2,0,0]=4 1554 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [1,0,0,1,0,0|2,0,0]=4 1555 B8R1.7 C1(CCOC1)C(=O)O MCULE-4859263225 [1,0,0,1,0,0|2,0,0]=4 1556 B8R1.7 CC(=O)C1CCC=N1 MCULE-5434976735 [1,0,0,1,0,0|2,0,0]=4 1557 B8R1.7 CC(=O)C1CCCO1 MCULE-7518147693 [1,0,0,1,0,0|1,0,1]=4 1558 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-2015960170 [1,0,0,1,0,0|1,0,1]=4 1559 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-3381319090 [1,0,0,1,0,0|1,0,1]=4 1560 B8R1.7 CC(=O)[C@H]1CCCO1 MCULE-5637204370 [1,0,0,1,0,0|1,0,1]=4 1561 B8R1.7 NC(=O)C1CCCO1 MCULE-9101921416 [1,0,0,1,0,0|1,0,1]=4 1562 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-3181755658 [1,0,0,1,0,0|1,0,1]=4 1563 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-9348376356 [1,0,0,1,0,0|1,0,1]=4 1564 B8R1.7 O=C(Cl)C1CCCO1 MCULE-9691919934 [1,0,0,1,0,0|1,0,1]=4 1565 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [1,0,0,1,0,0|1,0,0]=3 1566 B8R1.7 O=C(O)C1C=CCN1 MCULE-2141949922 [1,0,0,1,0,0|2,0,0]=4 1567 B8R1.7 O=C(O)C1C=CCN1 MCULE-3068035697 [1,0,0,1,0,0|2,0,0]=4 1568 B8R1.7 O=C(O)C1C=CCN1 MCULE-4825351403 [1,0,0,1,0,0|2,0,0]=4 1569 B8R1.7 O=C(O)C1C=CCN1 MCULE-9928071710 [1,0,0,1,0,0|2,0,0]=4 1570 B8R1.7 O=C(O)C1C=CCO1 MCULE-7417068170 [1,0,0,1,0,0|2,0,0]=4 1571 B8R1.7 O=C(O)C1CC=CC1 MCULE-7876630177 [1,0,0,1,0,0|1,0,1]=4 1572 B8R1.7 O=C(O)C1CCC=N1 MCULE-1792151957 [1,0,0,1,0,0|1,0,0]=3 1573 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [1,0,0,1,0,0|1,0,1]=4 1574 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [1,0,0,1,0,0|1,0,1]=4 1575 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [1,0,0,1,0,0|1,0,1]=4 1576 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [1,0,0,1,0,0|1,0,1]=4 1577 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [1,0,0,1,0,0|1,0,1]=4 1578 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [1,0,0,1,0,0|0,0,1]=3 1579 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [1,0,0,1,0,0|0,0,1]=3 1580 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [1,0,0,1,0,0|0,1,1]=4 1581 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [1,0,0,1,0,0|2,0,0]=4 1582 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [1,0,0,1,0,0|2,0,0]=4 1583 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [1,0,0,1,0,0|2,0,0]=4 1584 B8R1.7 O=C(O)C1CCOC1 MCULE-3567941338 [1,0,0,1,0,0|2,0,0]=4 1585 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [1,0,0,1,0,0|2,0,0]=4 1586 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-2515045579 [1,0,0,1,0,0|2,0,0]=4 1587 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-3589058117 [1,0,0,1,0,0|2,0,0]=4 1588 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-7995918745 [1,0,0,1,0,0|2,0,0]=4 1589 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-8155212892 [1,0,0,1,0,0|2,0,0]=4 1590 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [1,0,0,1,0,0|1,0,1]=4 1591 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [1,0,0,1,0,0|1,0,1]=4 1592 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [1,0,0,1,0,0|1,0,1]=4 1593 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [1,0,0,1,0,0|1,0,1]=4 1594 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [1,0,0,1,0,0|0,0,1]=3 1595 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [1,0,0,1,0,0|0,0,1]=3 1596 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [1,0,0,1,0,0|2,0,0]=4 1597 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [1,0,0,1,0,0|2,0,0]=4 1598 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [1,0,0,1,0,0|2,0,0]=4 1599 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [1,0,0,1,0,0|2,0,0]=4 1600 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-4807765276 [1,0,0,1,0,0|2,0,0]=4 1601 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-7912413581 [1,0,0,1,0,0|2,0,0]=4 1602 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-2145380755 [1,0,0,1,0,0|2,0,0]=4 1603 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-5768283844 [1,0,0,1,0,0|2,0,0]=4 1604 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-8522372891 [1,0,0,1,0,0|2,0,0]=4 1605 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [1,0,0,1,0,0|1,0,1]=4 1606 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [1,0,0,1,0,0|1,0,1]=4 1607 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [1,0,0,1,0,0|0,0,1]=3 1608 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [1,0,0,1,0,0|0,0,1]=3 1609 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [1,0,0,1,0,0|2,0,0]=4 1610 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [1,0,0,1,0,0|2,0,0]=4 1611 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [1,0,0,1,0,0|2,0,0]=4 1612 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [1,0,0,1,0,0|2,0,0]=4 1613 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-3213766488 [1,0,0,1,0,0|2,0,0]=4 1614 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-9627397250 [1,0,0,1,0,0|2,0,0]=4 1615 B8R1.7 O=C([O-])C1CCC=N1 MCULE-3235635441 [1,0,0,1,0,0|1,0,1]=4 1616 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [1,0,0,1,0,0|1,0,1]=4 1617 B8R1.22 O=C1CCCCCO1 MCULE-3051096014 [1,0,0,1,0,0|1,0,1]=4 1618 B8R1.31 C1(CCN1C)C(=O)O MCULE-3478640390 [1,0,0,1,0,0|2,0,0]=4 1619 B8R1.31 C=C1CCC1C(=O)O MCULE-7307560863 [1,0,0,1,0,0|1,0,0]=3 1620 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [1,0,0,1,0,0|1,0,1]=4 1621 B8R1.31 CN1CCC1C(=O)O MCULE-5037838055 [1,0,0,1,0,0|2,0,0]=4 1622 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-3293015609 [1,0,0,1,0,0|2,0,0]=4 1623 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-6726499104 [1,0,0,1,0,0|2,0,0]=4 1624 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-1519401164 [1,0,0,1,0,0|2,0,0]=4 1625 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-2682368839 [1,0,0,1,0,0|2,0,0]=4 1626 B8R1.31 NC1CCC1C(=O)O MCULE-1271890671 [1,0,0,1,0,0|1,0,1]=4 1627 B8R1.31 NC1CCC1C(=O)O MCULE-6203451123 [1,0,0,1,0,0|1,0,1]=4 1628 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O MCULE-7309195085 [1,0,0,1,0,0|1,0,1]=4 1629 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-1231832702 [1,0,0,1,0,0|1,0,1]=4 1630 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-4120413857 [1,0,0,1,0,0|1,0,1]=4 1631 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-7581321099 [1,0,0,1,0,0|1,0,1]=4 1632 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-8814127531 [1,0,0,1,0,0|1,0,1]=4 1633 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O MCULE-1877122488 [1,0,0,1,0,0|1,0,1]=4 1634 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-2323153571 [1,0,0,1,0,0|1,0,1]=4 1635 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3627026930 [1,0,0,1,0,0|1,0,1]=4 1636 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3814908416 [1,0,0,1,0,0|1,0,1]=4 1637 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-8552378194 [1,0,0,1,0,0|1,0,1]=4 1638 B8R1.31 O=C(O)C1CCC1F MCULE-6928594613 [1,0,0,1,0,0|1,0,1]=4 1639 B8R1.31 O=C(O)C1CCC1O MCULE-5612797663 [1,0,0,1,0,0|0,0,1]=3 1640 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O MCULE-4502275905 [1,0,0,1,0,0|0,0,1]=3 1641 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O MCULE-1446557503 [1,0,0,1,0,0|0,0,1]=3 1642 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-3693378535 [1,0,0,1,0,0|1,0,1]=4 1643 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-4998471402 [1,0,0,1,0,0|1,0,1]=4 1644 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-1179436878 [1,0,0,1,0,0|1,0,1]=4 1645 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-6666180327 [1,0,0,1,0,0|1,0,1]=4 1646 B8R1.34 O=C(O)CC1CCC1 MCULE-3720911045 [1,0,0,1,0,0|1,0,1]=4 1647 B8R1.34 O=C(O)CC1CCN1 MCULE-4161960358 [1,0,0,1,0,0|1,0,1]=4 1648 B8R1.34 O=C(O)CC1CCO1 MCULE-7021545652 [1,0,0,1,0,0|0,0,1]=3 1649 B8R1.34 O=C(O)CC1CNC1 MCULE-4671495498 [1,0,0,1,0,0|2,0,0]=4 1650 B8R1.34 O=C(O)CC1CNC1 MCULE-5456583939 [1,0,0,1,0,0|2,0,0]=4 1651 B8R1.34 O=C(O)CC1CNC1 MCULE-9655427403 [1,0,0,1,0,0|2,0,0]=4 1652 B8R1.34 O=C(O)CC1COC1 MCULE-1090518485 [1,0,0,1,0,0|2,0,0]=4 1653 B8R1.34 O=C(O)CC1CSC1 MCULE-1573505481 [1,0,0,1,0,0|2,0,0]=4 1654 B8R1.35 O=C(O)CCC1CC1 MCULE-1377442346 [1,0,0,1,0,0|1,0,1]=4 1655 B8R1.35 O=C(O)CCC1CO1 MCULE-1859826371 [1,0,0,1,0,0|0,0,1]=3 1656 B8R1.35 O=C(O)CCC1N=N1 MCULE-7773347718 [1,0,0,1,0,0|2,0,0]=4 1657 B8R1.43 C#CC1CC1C(=O)O MCULE-3287712150 [1,0,0,1,0,0|1,0,1]=4 1658 B8R1.43 C#C[C@@H]1C[C@H]1C(=O)O MCULE-3682886945 [1,0,0,1,0,0|1,0,1]=4 1659 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-7332146893 [1,0,0,1,0,0|1,0,1]=4 1660 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-8247580113 [1,0,0,1,0,0|1,0,1]=4 1661 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O MCULE-7681925135 [1,0,0,1,0,0|1,0,1]=4 1662 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O MCULE-6323262453 [1,0,0,1,0,0|1,0,0]=3 1663 B8R1.43 C=C[C@H]1C[C@H]1C(=O)O MCULE-6983531899 [1,0,0,1,0,0|1,0,0]=3 1664 B8R1.43 CCC1CC1C(=O)O MCULE-2993174891 [1,0,0,1,0,0|1,0,1]=4 1665 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O MCULE-8944777861 [1,0,0,1,0,0|1,0,1]=4 1666 B8R1.43 COC1CC1C(=O)O MCULE-8490015991 [1,0,0,1,0,0|2,0,0]=4 1667 B8R1.43 N#CC1CC1C(=O)O MCULE-9124706645 [1,0,0,1,0,0|1,0,1]=4 1668 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-5445653149 [1,0,0,1,0,0|1,0,1]=4 1669 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-6130530861 [1,0,0,1,0,0|1,0,1]=4 1670 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-3330628556 [1,0,0,1,0,0|1,0,1]=4 1671 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-6684718700 [1,0,0,1,0,0|1,0,1]=4 1672 B8R1.43 NC(=O)C1CC1CO MCULE-3191620985 [1,0,0,1,0,0|1,0,1]=4 1673 B8R1.43 NCC1CC1C(=O)O MCULE-8216751454 [1,0,0,1,0,0|1,0,1]=4 1674 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-3415372050 [1,0,0,1,0,0|1,0,1]=4 1675 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-6765918556 [1,0,0,1,0,0|1,0,1]=4 1676 B8R1.43 O=C(O)C1CC1CCl MCULE-8596410287 [1,0,0,1,0,0|1,0,1]=4 1677 B8R1.43 O=C(O)C1CC1CF MCULE-8263605468 [1,0,0,1,0,0|1,0,1]=4 1678 B8R1.43 O=C(O)C1CC1CO MCULE-5433690867 [1,0,0,1,0,0|0,0,1]=3 1679 B8R1.43 O=C(O)[C@@H]1C[C@H]1CCl MCULE-7560724994 [1,0,0,1,0,0|1,0,1]=4 1680 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO MCULE-9657133495 [1,0,0,1,0,0|0,0,1]=3 1681 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO MCULE-1395497386 [1,0,0,1,0,0|0,0,1]=3 1682 B8R1.43 [C@@H]1(C[C@H]1C(=O)O)C#N MCULE-9124193326 [1,0,0,1,0,0|1,0,1]=4 1683 B8R1.43 [C@H]1(C[C@H]1C(=O)O)C#N MCULE-3751215343 [1,0,0,1,0,0|1,0,1]=4 1684 B8R1.3 O=C1CCC(=O)CC1 MCULE-5432049567 [0,0,0,1,1,0|2,0,0]=4 1685 B8R1.3 O=C1CCC(=O)NC1 MCULE-8297515560 [0,0,0,1,1,0|2,0,0]=4 1686 B8R1.3 O=C1CCC(=O)NN1 MCULE-3404255918 [0,0,0,1,1,0|2,0,0]=4 1687 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [0,0,0,1,1,0|1,0,0]=3 1688 B8R1.3 O=C1CCC(CO1)O MCULE-6372408261 [0,0,0,1,1,0|1,0,1]=4 1689 B8R1.3 O=C1COC(=O)CN1 MCULE-4171313774 [0,0,0,1,1,0|2,0,0]=4 1690 B8R1.3 O=C1COC(=O)CO1 MCULE-8927291216 [0,0,0,1,1,0|2,0,0]=4 1691 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [0,0,0,1,1,0|1,0,0]=3 1692 B8R1.23 C=C1CC(C1)C(=O)O MCULE-6435857280 [0,0,0,1,1,0|2,0,0]=4 1693 B8R1.23 O=C(O)C1CC(C1)O MCULE-4341192467 [0,0,0,1,1,0|1,0,1]=4 1694 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)O MCULE-9908072079 [0,0,0,1,1,0|1,0,1]=4 1695 B8R1.23 O=C(O)[C@H]1C[C@H](C1)O MCULE-5181925767 [0,0,0,1,1,0|1,0,1]=4 1696 B8R1.23 O=C1CC(C1)C(=O)Cl MCULE-5261758509 [0,0,0,1,1,0|2,0,0]=4 1697 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [0,0,0,1,1,0|1,0,0]=3 1698 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [0,0,0,1,1,0|1,0,0]=3 1699 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [0,0,0,1,1,0|0,0,0]=2 1700 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [0,0,0,1,1,0|1,0,0]=3 1701 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [0,0,0,1,1,0|1,0,0]=3 1702 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [0,0,0,1,1,0|1,0,0]=3 1703 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [0,0,0,1,1,0|1,0,0]=3 1704 B8R1.51 CP1(=O)CCC(=O)O1 MCULE-3689691243 [0,0,0,1,1,0|2,0,0]=4 1705 B8R1.51 O=C1CCS(=O)(=O)O1 MCULE-1696670151 [0,0,0,1,1,0|1,0,1]=4 1706 B10R1.54 CC(=O)CC1CCC(=O)N1 MCULE-5590242632 [0,0,0,1,0,1|2,0,0]=4 1707 B10R1.54 CC1=NN(CC1)CC(=O)O MCULE-8783102670 [0,0,0,1,0,1|2,0,0]=4 1708 B10R1.54 CC1=NN(CC1)CC(=O)O MCULE-9676954551 [0,0,0,1,0,1|2,0,0]=4 1709 B10R1.54 CC1CCC(O1)CC(=O)O MCULE-8857014749 [0,0,0,1,0,1|1,0,1]=4 1710 B10R1.54 O=C(O)CC1=NC(=O)CS1 MCULE-1484851404 [0,0,0,1,0,1|1,0,1]=4 1711 B10R1.54 O=C(O)CC1CC(CN1)O MCULE-7161298106 [0,0,0,1,0,1|1,0,1]=4 1712 B10R1.54 O=C(O)CC1CC(CN1)O MCULE-8476180516 [0,0,0,1,0,1|1,0,1]=4 1713 B10R1.54 O=C(O)CC1CCC(=O)C1 MCULE-8065311815 [0,0,0,1,0,1|1,0,0]=3 1714 B10R1.54 O=C(O)CC1CCC(=O)N1 MCULE-4378271581 [0,0,0,1,0,1|1,0,0]=3 1715 B10R1.54 O=C(O)CC1CCC(=O)O1 MCULE-3722776234 [0,0,0,1,0,1|0,0,0]=2 1716 B10R1.54 O=C(O)CC1CCC(C1)O MCULE-1306554926 [0,0,0,1,0,1|1,0,1]=4 1717 B10R1.54 O=C(O)CC1CNC(=O)C1 MCULE-1228415378 [0,0,0,1,0,1|1,0,0]=3 1718 B10R1.54 O=C(O)CC1COC(=O)C1 MCULE-9024324984 [0,0,0,1,0,1|1,0,0]=3 1719 B10R1.54 O=C(O)CN1CCC(=O)C1 MCULE-1558139461 [0,0,0,1,0,1|1,0,0]=3 1720 B10R1.54 O=C(O)CN1CCC(=O)C1 MCULE-6202445610 [0,0,0,1,0,1|1,0,0]=3 1721 B10R1.54 O=C(O)CN1CCC(C1)O MCULE-7707471649 [0,0,0,1,0,1|1,0,1]=4 1722 B10R1.54 O=C(O)CN1CCC(C1)O MCULE-8936002282 [0,0,0,1,0,1|1,0,1]=4 1723 B10R1.54 O=C(O)CN1CC[C@@H](C1)O MCULE-1249814394 [0,0,0,1,0,1|1,0,1]=4 1724 B10R1.54 O=C(O)CN1CC[C@@H](C1)O MCULE-2140738871 [0,0,0,1,0,1|1,0,1]=4 1725 B10R1.54 O=C(O)CN1CC[C@H](C1)O MCULE-4416769889 [0,0,0,1,0,1|1,0,1]=4 1726 B10R1.54 O=C(O)CN1CC[C@H](C1)O MCULE-4926367147 [0,0,0,1,0,1|1,0,1]=4 1727 B10R1.54 O=C(O)C[C@@H]1CC(CN1)O MCULE-5520496479 [0,0,0,1,0,1|1,0,1]=4 1728 B10R1.54 O=C(O)C[C@@H]1CC(CN1)O MCULE-9606256613 [0,0,0,1,0,1|1,0,1]=4 1729 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 MCULE-2294433482 [0,0,0,1,0,1|1,0,0]=3 1730 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 MCULE-6637712682 [0,0,0,1,0,1|1,0,0]=3 1731 B10R1.54 O=C(O)C[C@@H]1CC[C@@H](C1)O MCULE-2394601749 [0,0,0,1,0,1|1,0,1]=4 1732 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-1516021519 [0,0,0,1,0,1|1,0,1]=4 1733 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-4246846585 [0,0,0,1,0,1|1,0,1]=4 1734 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-5090681884 [0,0,0,1,0,1|1,0,1]=4 1735 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-6554402545 [0,0,0,1,0,1|1,0,1]=4 1736 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-8720083389 [0,0,0,1,0,1|1,0,1]=4 1737 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-9359661762 [0,0,0,1,0,1|1,0,1]=4 1738 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 MCULE-1700675888 [0,0,0,1,0,1|1,0,0]=3 1739 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 MCULE-3179723751 [0,0,0,1,0,1|1,0,0]=3 1740 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 MCULE-1080082151 [0,0,0,1,0,1|1,0,0]=3 1741 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 MCULE-2947978966 [0,0,0,1,0,1|1,0,0]=3 1742 B10R1.54 O=C(O)C[C@H]1COC(=O)N1 MCULE-1807368276 [0,0,0,1,0,1|1,0,0]=3 1743 B10R1.82 O=C(O)CCC1CC(=O)C1 MCULE-8509527472 [0,0,0,1,0,1|1,0,0]=3 1744 B10R1.113 CC(=O)C1CCNC(=O)C1 MCULE-9774471516 [0,0,0,1,0,1|2,0,0]=4 1745 B10R1.113 CC(=O)N1CCCC(=O)C1 MCULE-7455044173 [0,0,0,1,0,1|2,0,0]=4 1746 B10R1.113 CC1=CCCC(C1)C(=O)O MCULE-1528958679 [0,0,0,1,0,1|2,0,0]=4 1747 B10R1.113 CC1=NCCC(N1)C(=O)O MCULE-8417553503 [0,0,0,1,0,1|2,0,0]=4 1748 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O MCULE-2656568536 [0,0,0,1,0,1|2,0,0]=4 1749 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O MCULE-4918579312 [0,0,0,1,0,1|2,0,0]=4 1750 B10R1.113 CC1CCCC(O1)C(=O)O MCULE-2545962496 [0,0,0,1,0,1|1,0,1]=4 1751 B10R1.113 CC1CNCC(O1)C(=O)O MCULE-4851002529 [0,0,0,1,0,1|1,0,1]=4 1752 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O MCULE-1640808929 [0,0,0,1,0,1|1,0,1]=4 1753 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O MCULE-5152957457 [0,0,0,1,0,1|1,0,1]=4 1754 B10R1.113 NC(=O)C1CCCC(=O)C1 MCULE-3502536681 [0,0,0,1,0,1|2,0,0]=4 1755 B10R1.113 O=C(O)C1=CC(CCC1)O MCULE-3053514968 [0,0,0,1,0,1|1,0,1]=4 1756 B10R1.113 O=C(O)C1=CS(=O)CCC1 MCULE-4974730957 [0,0,0,1,0,1|2,0,0]=4 1757 B10R1.113 O=C(O)C1CC(CCN1)O MCULE-2758341308 [0,0,0,1,0,1|1,0,1]=4 1758 B10R1.113 O=C(O)C1CC(CCN1)O MCULE-7585455422 [0,0,0,1,0,1|1,0,1]=4 1759 B10R1.113 O=C(O)C1CCCC(C1)O MCULE-9068909742 [0,0,0,1,0,1|1,0,1]=4 1760 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-1307689360 [0,0,0,1,0,1|1,0,1]=4 1761 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-6671293935 [0,0,0,1,0,1|1,0,1]=4 1762 B10R1.113 O=C(O)C1CS(=O)CCN1 MCULE-2725116552 [0,0,0,1,0,1|2,0,0]=4 1763 B10R1.113 O=C(O)C1CS(=O)CCN1 MCULE-7493333189 [0,0,0,1,0,1|2,0,0]=4 1764 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-1509835362 [0,0,0,1,0,1|1,0,1]=4 1765 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-2282540668 [0,0,0,1,0,1|1,0,1]=4 1766 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-2678948022 [0,0,0,1,0,1|1,0,1]=4 1767 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-6048774329 [0,0,0,1,0,1|1,0,1]=4 1768 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O MCULE-1390000123 [0,0,0,1,0,1|1,0,1]=4 1769 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O MCULE-5873942206 [0,0,0,1,0,1|1,0,1]=4 1770 B10R1.113 O=C(O)[C@@H]1C[C@H](CCN1)O MCULE-5317131791 [0,0,0,1,0,1|1,0,1]=4 1771 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-1308626340 [0,0,0,1,0,1|1,0,1]=4 1772 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-5789638591 [0,0,0,1,0,1|1,0,1]=4 1773 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3370494896 [0,0,0,1,0,1|1,0,1]=4 1774 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3728932412 [0,0,0,1,0,1|1,0,1]=4 1775 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-1474484031 [0,0,0,1,0,1|1,0,1]=4 1776 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-1820373402 [0,0,0,1,0,1|1,0,1]=4 1777 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-4771226737 [0,0,0,1,0,1|1,0,1]=4 1778 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-4907773186 [0,0,0,1,0,1|1,0,1]=4 1779 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-8175624129 [0,0,0,1,0,1|1,0,1]=4 1780 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O MCULE-4751772547 [0,0,0,1,0,1|1,0,1]=4 1781 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O MCULE-6686826243 [0,0,0,1,0,1|1,0,1]=4 1782 B10R1.113 O=C1C=C(CCC1)C(=O)O MCULE-6477437107 [0,0,0,1,0,1|1,0,0]=3 1783 B10R1.113 O=C1C=CCC(C1)C(=O)O MCULE-3511234259 [0,0,0,1,0,1|1,0,1]=4 1784 B10R1.113 O=C1CC(CCN1)C(=O)O MCULE-8037650535 [0,0,0,1,0,1|1,0,0]=3 1785 B10R1.113 O=C1CC(CNN1)C(=O)O MCULE-4653652849 [0,0,0,1,0,1|2,0,0]=4 1786 B10R1.113 O=C1CC(CNN1)C(=O)O MCULE-5555795045 [0,0,0,1,0,1|2,0,0]=4 1787 B10R1.113 O=C1CCCC(C1)C(=O)O MCULE-6286773194 [0,0,0,1,0,1|1,0,0]=3 1788 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9444010827 [0,0,0,1,0,1|1,0,0]=3 1789 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9607599809 [0,0,0,1,0,1|1,0,0]=3 1790 B10R1.113 O=C1CCC[C@@H](C1)C(=O)O MCULE-5396925186 [0,0,0,1,0,1|1,0,0]=3 1791 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-3091454903 [0,0,0,1,0,1|1,0,0]=3 1792 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-5853502175 [0,0,0,1,0,1|1,0,0]=3 1793 B10R1.113 O=C1CCC[C@H](C1)C(=O)O MCULE-8936667281 [0,0,0,1,0,1|1,0,0]=3 1794 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-6509598163 [0,0,0,1,0,1|1,0,0]=3 1795 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-7646943695 [0,0,0,1,0,1|1,0,0]=3 1796 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-6916176336 [0,0,0,1,0,1|1,0,0]=3 1797 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-9262761817 [0,0,0,1,0,1|1,0,0]=3 1798 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-1115212106 [0,0,0,1,0,1|1,0,0]=3 1799 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5896394571 [0,0,0,1,0,1|1,0,0]=3 1800 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5937606037 [0,0,0,1,0,1|1,0,0]=3 1801 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-7073629862 [0,0,0,1,0,1|1,0,0]=3 1802 B10R1.113 O=C1CNCC(N1)C(=O)O MCULE-4117148380 [0,0,0,1,0,1|1,0,0]=3 1803 B10R1.113 O=C1CNC[C@@H](N1)C(=O)O MCULE-3006600193 [0,0,0,1,0,1|1,0,0]=3 1804 B10R1.113 O=C1CNC[C@H](N1)C(=O)O MCULE-4345470043 [0,0,0,1,0,1|1,0,0]=3 1805 B10R1.113 O=C1CSCC(N1)C(=O)O MCULE-7630386798 [0,0,0,1,0,1|1,0,0]=3 1806 B10R1.113 O=C1CSC[C@H](N1)C(=O)O MCULE-1412113570 [0,0,0,1,0,1|1,0,0]=3 1807 B10R1.113 O=C1C[C@@H](CCN1)C(=O)O MCULE-5205458306 [0,0,0,1,0,1|1,0,0]=3 1808 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-6254957663 [0,0,0,1,0,1|1,0,0]=3 1809 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-9670666580 [0,0,0,1,0,1|1,0,0]=3 1810 B10R1.113 O=C1NC(CCO1)C(=O)O MCULE-4281750243 [0,0,0,1,0,1|1,0,0]=3 1811 B10R1.113 O=C1NCCC(N1)C(=O)O MCULE-6196729766 [0,0,0,1,0,1|1,0,0]=3 1812 B10R1.113 O=C1NCCC(O1)C(=O)O MCULE-1272116406 [0,0,0,1,0,1|0,0,0]=2 1813 B10R1.113 O=C1N[C@@H](CCO1)C(=O)O MCULE-7121690603 [0,0,0,1,0,1|1,0,0]=3 1814 B10R1.128 O=C(O)C1CCCS1(=O)=O MCULE-6333477940 [0,0,0,1,0,1|1,0,1]=4 1815 B10R1.361 CC(=O)N1CCC1C(=O)O MCULE-4216069349 [0,0,0,1,0,1|1,0,0]=3 1816 B10R1.361 CC(=O)N1CC[C@H]1C(=O)O MCULE-3086147567 [0,0,0,1,0,1|1,0,0]=3 1817 B10R1.361 NC(=O)C1CCC1C(=O)O MCULE-3903818494 [0,0,0,1,0,1|1,0,0]=3 1818 B10R1.361 NC(=O)[C@H]1CC[C@H]1C(=O)N MCULE-7732298882 [0,0,0,1,0,1|2,0,0]=4 1819 B10R1.361 O=C(O)C1CCC1C(=O)O MCULE-6136792366 [0,0,0,1,0,1|0,0,0]=2 1820 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-2743190923 [0,0,0,1,0,1|0,0,0]=2 1821 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-6841335407 [0,0,0,1,0,1|0,0,0]=2 1822 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-3432000151 [0,0,0,1,0,1|0,0,0]=2 1823 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-6937334278 [0,0,0,1,0,1|0,0,0]=2 1824 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O MCULE-8609403409 [0,0,0,1,0,1|0,0,0]=2 1825 B10R1.361 [C@@H]1(CC[C@@H]1C(=O)O)C(=O)O MCULE-4637916300 [0,0,0,1,0,1|0,0,0]=2 1826 B10R1.13 C=C1CCC(CC1)C(=O)O MCULE-9520777832 [0,1,0,1,0,0|2,0,0]=4 1827 B10R1.13 CC1=CCC(CC1)C(=O)O MCULE-8997751425 [0,1,0,1,0,0|2,0,0]=4 1828 B10R1.13 CC1CCC(CO1)C(=O)O MCULE-6526905782 [0,1,0,1,0,0|1,0,1]=4 1829 B10R1.13 NC(=O)C1CCC(=O)CC1 MCULE-8335948190 [0,1,0,1,0,0|2,0,0]=4 1830 B10R1.13 O=C(O)C1CC=C(CC1)Br MCULE-3957085478 [0,1,0,1,0,0|2,0,0]=4 1831 B10R1.13 O=C(O)C1CC=C(CC1)F MCULE-5924974191 [0,1,0,1,0,0|2,0,0]=4 1832 B10R1.13 O=C(O)C1CCC(CC1)O MCULE-2480420127 [0,1,0,1,0,0|1,0,1]=4 1833 B10R1.13 O=C(O)C1CCC(CN1)O MCULE-3204705068 [0,1,0,1,0,0|1,0,1]=4 1834 B10R1.13 O=C(O)C1CCC(CN1)O MCULE-7178398033 [0,1,0,1,0,0|1,0,1]=4 1835 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-1384355113 [0,1,0,1,0,0|1,0,1]=4 1836 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-1678351091 [0,1,0,1,0,0|1,0,1]=4 1837 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-5287470680 [0,1,0,1,0,0|1,0,1]=4 1838 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-7907264464 [0,1,0,1,0,0|1,0,1]=4 1839 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-2425882122 [0,1,0,1,0,0|1,0,1]=4 1840 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-3071319870 [0,1,0,1,0,0|1,0,1]=4 1841 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-3130571634 [0,1,0,1,0,0|1,0,1]=4 1842 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-4156067811 [0,1,0,1,0,0|1,0,1]=4 1843 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-6185299507 [0,1,0,1,0,0|1,0,1]=4 1844 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-8875046289 [0,1,0,1,0,0|1,0,1]=4 1845 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)O MCULE-6625595981 [0,1,0,1,0,0|1,0,1]=4 1846 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-2267551829 [0,1,0,1,0,0|1,0,1]=4 1847 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-7339394632 [0,1,0,1,0,0|1,0,1]=4 1848 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-7777420620 [0,1,0,1,0,0|1,0,1]=4 1849 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-9629486094 [0,1,0,1,0,0|1,0,1]=4 1850 B10R1.13 O=C(O)[C@H]1CC[C@H](CC1)O MCULE-5519058025 [0,1,0,1,0,0|1,0,1]=4 1851 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-3991583469 [0,1,0,1,0,0|1,0,1]=4 1852 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-8329848691 [0,1,0,1,0,0|1,0,1]=4 1853 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-8730600296 [0,1,0,1,0,0|1,0,1]=4 1854 B10R1.13 O=C1CCC(=NN1)C(=O)O MCULE-1818973372 [0,1,0,1,0,0|1,0,1]=4 1855 B10R1.13 O=C1CCC(CC1)C(=O)Cl MCULE-9307268152 [0,1,0,1,0,0|2,0,0]=4 1856 B10R1.13 O=C1CCC(CC1)C(=O)O MCULE-3268045048 [0,1,0,1,0,0|1,0,0]=3 1857 B10R1.13 O=C1CCC(CN1)C(=O)O MCULE-9788917215 [0,1,0,1,0,0|1,0,0]=3 1858 B10R1.13 O=C1CCC(NC1)C(=O)O MCULE-4067834062 [0,1,0,1,0,0|1,0,0]=3 1859 B10R1.13 O=C1CCC(NC1)C(=O)O MCULE-8147757527 [0,1,0,1,0,0|1,0,0]=3 1860 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-3191286949 [0,1,0,1,0,0|1,0,0]=3 1861 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-9692186311 [0,1,0,1,0,0|1,0,0]=3 1862 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-4350301488 [0,1,0,1,0,0|1,0,0]=3 1863 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-6122427477 [0,1,0,1,0,0|1,0,0]=3 1864 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-7864506900 [0,1,0,1,0,0|1,0,0]=3 1865 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-8690683788 [0,1,0,1,0,0|1,0,0]=3 1866 B10R1.13 O=C1CC[C@H](CN1)C(=O)O MCULE-6590332785 [0,1,0,1,0,0|1,0,0]=3 1867 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-2845724258 [0,1,0,1,0,0|1,0,0]=3 1868 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-4534690891 [0,1,0,1,0,0|1,0,0]=3 1869 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-5755683417 [0,1,0,1,0,0|1,0,0]=3 1870 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-6015971784 [0,1,0,1,0,0|1,0,0]=3 1871 B10R1.13 O=C1CNC(CN1)C(=O)O MCULE-1011618274 [0,1,0,1,0,0|2,0,0]=4 1872 B10R1.13 O=C1CNC(CN1)C(=O)O MCULE-9345081526 [0,1,0,1,0,0|2,0,0]=4 1873 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-1270509503 [0,1,0,1,0,0|2,0,0]=4 1874 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-5912128916 [0,1,0,1,0,0|2,0,0]=4 1875 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-6974754540 [0,1,0,1,0,0|2,0,0]=4 1876 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-9137341829 [0,1,0,1,0,0|2,0,0]=4 1877 B10R1.13 O=C1CN[C@H](CN1)C(=O)O MCULE-8928326150 [0,1,0,1,0,0|2,0,0]=4 1878 B10R1.13 [C@@H]1(CC[C@H](NC1)C(=O)O)O MCULE-1423621462 [0,1,0,1,0,0|1,0,1]=4 1879 B10R1.13 [C@@H]1(CC[C@H](NC1)C(=O)O)O MCULE-1814136074 [0,1,0,1,0,0|1,0,1]=4 1880 B10R1.14 C1(CCC(=O)C1)C(=O)OC MCULE-8334918383 [0,1,0,1,0,0|1,0,0]=3 1881 B10R1.14 C1(CCC(=O)N1)C(=O)OC MCULE-5897242243 [0,1,0,1,0,0|1,0,0]=3 1882 B10R1.14 COC(=O)C1=CC(=O)CC1 MCULE-9756040651 [0,1,0,1,0,0|1,0,1]=4 1883 B10R1.14 COC(=O)C1CC(=O)CO1 MCULE-2471814999 [0,1,0,1,0,0|2,0,0]=4 1884 B10R1.14 COC(=O)C1CCC(=O)C1 MCULE-5952382453 [0,1,0,1,0,0|1,0,0]=3 1885 B10R1.14 COC(=O)C1CCC(=O)N1 MCULE-2849406517 [0,1,0,1,0,0|1,0,0]=3 1886 B10R1.14 COC(=O)C1CCC(=O)O1 MCULE-7228187740 [0,1,0,1,0,0|0,0,0]=2 1887 B10R1.14 COC(=O)C1CCC(=S)N1 MCULE-8993064502 [0,1,0,1,0,0|1,1,0]=4 1888 B10R1.14 COC(=O)C1CCC(C1)O MCULE-3475456621 [0,1,0,1,0,0|1,0,1]=4 1889 B10R1.14 COC(=O)C1CNC(=O)C1 MCULE-5678646707 [0,1,0,1,0,0|2,0,0]=4 1890 B10R1.14 COC(=O)C1CNC(=O)O1 MCULE-2096777093 [0,1,0,1,0,0|1,0,0]=3 1891 B10R1.14 COC(=O)C1COC(=O)N1 MCULE-5827623021 [0,1,0,1,0,0|2,0,0]=4 1892 B10R1.14 COC(=O)N1CCC(=O)C1 MCULE-3207036153 [0,1,0,1,0,0|2,0,0]=4 1893 B10R1.14 COC(=O)[C@@H]1CCC(=N1)S MCULE-7178838444 [0,1,0,1,0,0|1,1,0]=4 1894 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 MCULE-7952909342 [0,1,0,1,0,0|1,0,0]=3 1895 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 MCULE-8638772412 [0,1,0,1,0,0|1,0,0]=3 1896 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 MCULE-6776274122 [0,1,0,1,0,0|1,0,0]=3 1897 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 MCULE-8837580582 [0,1,0,1,0,0|1,0,0]=3 1898 B10R1.14 COC(=O)[C@@H]1CCC(=O)O1 MCULE-7346796735 [0,1,0,1,0,0|0,0,0]=2 1899 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)O MCULE-2058582855 [0,1,0,1,0,0|1,0,1]=4 1900 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)O MCULE-5432347510 [0,1,0,1,0,0|1,0,1]=4 1901 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)O MCULE-1118474224 [0,1,0,1,0,0|1,0,1]=4 1902 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)O MCULE-9373995272 [0,1,0,1,0,0|1,0,1]=4 1903 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 MCULE-9225925550 [0,1,0,1,0,0|2,0,0]=4 1904 B10R1.14 COC(=O)[C@@H]1CNC(=O)N1 MCULE-4832270504 [0,1,0,1,0,0|2,0,0]=4 1905 B10R1.14 COC(=O)[C@@H]1CNC(=O)O1 MCULE-1667021734 [0,1,0,1,0,0|1,0,0]=3 1906 B10R1.14 COC(=O)[C@@H]1CNC(=O)O1 MCULE-9531113453 [0,1,0,1,0,0|1,0,0]=3 1907 B10R1.14 COC(=O)[C@@H]1COC(=O)N1 MCULE-6173112740 [0,1,0,1,0,0|2,0,0]=4 1908 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 MCULE-6859943891 [0,1,0,1,0,0|1,0,0]=3 1909 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 MCULE-7172592478 [0,1,0,1,0,0|1,0,0]=3 1910 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 MCULE-7163955131 [0,1,0,1,0,0|1,0,0]=3 1911 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 MCULE-8190805012 [0,1,0,1,0,0|1,0,0]=3 1912 B10R1.14 COC(=O)[C@H]1CCC(=O)O1 MCULE-2949058133 [0,1,0,1,0,0|0,0,0]=2 1913 B10R1.14 COC(=O)[C@H]1CCC(=O)O1 MCULE-7663400355 [0,1,0,1,0,0|0,0,0]=2 1914 B10R1.14 COC(=O)[C@H]1CCC(=S)N1 MCULE-1412233687 [0,1,0,1,0,0|1,1,0]=4 1915 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)O MCULE-5555455830 [0,1,0,1,0,0|1,0,1]=4 1916 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)O MCULE-5194030962 [0,1,0,1,0,0|1,0,1]=4 1917 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)O MCULE-9211450556 [0,1,0,1,0,0|1,0,1]=4 1918 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)O MCULE-9901379045 [0,1,0,1,0,0|1,0,1]=4 1919 B10R1.14 COC(=O)[C@H]1CNC(=O)C1 MCULE-9231955159 [0,1,0,1,0,0|2,0,0]=4 1920 B10R1.14 COC(=O)[C@H]1COC(=O)N1 MCULE-1359293106 [0,1,0,1,0,0|2,0,0]=4 1921 B10R1.14 COC(=O)[C@H]1COC(=O)N1 MCULE-8105273052 [0,1,0,1,0,0|2,0,0]=4 1922 B10R1.14 NNC(=O)C1CCC(=O)N1 MCULE-1320186983 [0,1,0,1,0,0|2,0,0]=4 1923 B10R1.14 [C@@H]1(CNC(=O)C1)C(=O)OC MCULE-5277165389 [0,1,0,1,0,0|2,0,0]=4 1924 B10R1.14 [C@H]1(CCC(=O)O1)C(=O)OC MCULE-8761301192 [0,1,0,1,0,0|0,0,0]=2 1925 B10R1.14 [C@H]1(CCC(=S)N1)C(=O)OC MCULE-6420555771 [0,1,0,1,0,0|1,1,0]=4 1926 B10R1.14 [C@H]1(CC[C@H](C1)C(=O)OC)O MCULE-9908119773 [0,1,0,1,0,0|1,0,1]=4 1927 B10R1.14 [C@H]1(CNC(=O)C1)C(=O)OC MCULE-1672375650 [0,1,0,1,0,0|2,0,0]=4 1928 B10R1.14 [C@H]1(COC(=O)N1)C(=O)OC MCULE-6209661780 [0,1,0,1,0,0|2,0,0]=4 1929 B10R1.31 COC1CCC(C1)C(=O)O MCULE-5189432372 [0,1,0,1,0,0|1,0,1]=4 1930 B10R1.31 CO[C@H]1CC[C@@H](C1)C(=O)O MCULE-8255434197 [0,1,0,1,0,0|1,0,1]=4 1931 B10R1.31 CO[C@H]1CC[C@H](C1)C(=O)O MCULE-3942607370 [0,1,0,1,0,0|1,0,1]=4 1932 B10R1.31 O=C(O)C1CCC(=NO)C1 MCULE-1447348290 [0,1,0,1,0,0|1,0,0]=3 1933 B10R1.79 O=C1CCCC(=O)CCC1 MCULE-2006786254 [0,1,0,1,0,0|2,0,0]=4 1934 B10R1.150 COC(=O)CC1CC(=O)C1 MCULE-7681464009 [0,1,0,1,0,0|1,0,0]=3 1935 B10R1.150 COC(=O)CC1CC(C1)O MCULE-8036735119 [0,1,0,1,0,0|1,0,1]=4 1936 B10R1.194 CC1C(=O)OCC1C(=O)O MCULE-8491867617 [0,1,0,1,0,0|2,0,0]=4 1937 B10R1.194 CN1C(=O)CCC1C(=O)N MCULE-8391012645 [0,1,0,1,0,0|2,0,0]=4 1938 B10R1.194 CN1C(=O)CCC1C(=O)O MCULE-1836057812 [0,1,0,1,0,0|1,0,0]=3 1939 B10R1.194 CN1C(=O)CCC1C(=O)O MCULE-7449426037 [0,1,0,1,0,0|1,0,0]=3 1940 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O MCULE-5515047051 [0,1,0,1,0,0|1,0,0]=3 1941 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O MCULE-6485454128 [0,1,0,1,0,0|1,0,0]=3 1942 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O MCULE-7960298498 [0,1,0,1,0,0|1,0,0]=3 1943 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O MCULE-9649189424 [0,1,0,1,0,0|1,0,0]=3 1944 B10R1.194 CN1C(=O)NCC1C(=O)O MCULE-2621049135 [0,1,0,1,0,0|2,0,0]=4 1945 B10R1.194 CN1C(=O)OCC1C(=O)O MCULE-8242069751 [0,1,0,1,0,0|2,0,0]=4 1946 B10R1.194 CN1CCC(C1=O)C(=O)O MCULE-9291039298 [0,1,0,1,0,0|2,0,0]=4 1947 B10R1.408 CNC(=O)C1CC1C(=O)N MCULE-3144651005 [0,1,0,1,0,0|2,0,0]=4 1948 B10R1.408 CNC(=O)C1CC1C(=O)O MCULE-5991575859 [0,1,0,1,0,0|1,0,0]=3 1949 B10R1.408 CNC(=O)[C@H]1C[C@@H]1C(=O)O MCULE-5485938531 [0,1,0,1,0,0|1,0,0]=3 1950 B10R1.408 COC(=O)C1CC1C(=O)C MCULE-9692510329 [0,1,0,1,0,0|1,0,0]=3 1951 B10R1.408 COC(=O)C1CC1C(=O)O MCULE-7866234212 [0,1,0,1,0,0|0,0,0]=2 1952 B10R1.408 COC(=O)C1CC1N(=O)=O MCULE-5212619825 [0,1,0,1,0,0|1,0,1]=4 1953 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O MCULE-3699835184 [0,1,0,1,0,0|0,0,0]=2 1954 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O MCULE-8154738068 [0,1,0,1,0,0|0,0,0]=2 1955 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O MCULE-5512209759 [0,1,0,1,0,0|0,0,0]=2 1956 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O MCULE-9728286418 [0,1,0,1,0,0|0,0,0]=2 1957 B10R1.408 COC(=O)[C@H]1C[C@@H]1C(=O)O MCULE-2394122729 [0,1,0,1,0,0|0,0,0]=2 1958 B10R1.408 COC(=O)[C@H]1C[C@H]1C(=O)O MCULE-9017164187 [0,1,0,1,0,0|0,0,0]=2 1959 B10R1.408 [C@H]1(C[C@H]1C(=O)OC)C(=O)O MCULE-5989838336 [0,1,0,1,0,0|0,0,0]=2 1960 B10R1.58 CN1CC(CC1=O)C(=O)O MCULE-2604682023 [0,1,0,1,0,0|2,0,0]=4 1961 B10R1.58 CN1CC(NC1=O)C(=O)O MCULE-5672121272 [0,1,0,1,0,0|2,0,0]=4 1962 B10R1.58 CN1CC(OC1=O)C(=O)O MCULE-1158187923 [0,1,0,1,0,0|1,0,0]=3 1963 B10R1.58 CN1C[C@@H](CC1=O)C(=O)O MCULE-4410278134 [0,1,0,1,0,0|2,0,0]=4 1964 B10R1.58 CN1C[C@H](NC1=O)C(=O)O MCULE-2436172057 [0,1,0,1,0,0|2,0,0]=4 1965 B10R1.58 CN1C[C@H](NC1=O)C(=O)O MCULE-8618404133 [0,1,0,1,0,0|2,0,0]=4 1966 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O MCULE-2019095795 [0,1,0,1,0,0|1,0,1]=4 1967 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O MCULE-7012514700 [0,1,0,1,0,0|1,0,1]=4 1968 B10R1.58 O=C(O)C1CC(=O)N(C1)O MCULE-1951815385 [0,1,0,1,0,0|2,0,0]=4 1969 B10R1.58 O=C(O)[C@@H]1C[C@H](C(=O)N1)F MCULE-3594620408 [0,1,0,1,0,0|1,0,0]=3 1970 B10R1.58 O=C(O)[C@@H]1C[C@H](C(=O)N1)F MCULE-7616817872 [0,1,0,1,0,0|1,0,0]=3 1971 B10R1.58 O=C1NC(CC1F)C(=O)O MCULE-5782471146 [0,1,0,1,0,0|1,0,0]=3 1972 B10R1.58 O=C1N[C@@H](C[C@@H]1F)C(=O)O MCULE-5667846232 [0,1,0,1,0,0|1,0,0]=3 1973 B10R1.58 O=C1N[C@@H](C[C@@H]1F)C(=O)O MCULE-8319847079 [0,1,0,1,0,0|1,0,0]=3 1974 B10R1.349 CC(=O)N1CC(C1)C(=O)O MCULE-3908865552 [0,1,0,1,0,0|2,0,0]=4 1975 B10R1.349 NC(=O)N1CC(C1)C(=O)O MCULE-3854559032 [0,1,0,1,0,0|2,0,0]=4 1976 B10R1.349 O=C(O)C1CC(C1)C(=O)O MCULE-7515334695 [0,1,0,1,0,0|0,0,0]=2 1977 B10R1.349 O=C(O)C1CC(N1)C(=O)O MCULE-2441047831 [0,1,0,1,0,0|0,0,0]=2 1978 B10R1.349 O=C(O)[C@H]1C[C@@H](C1)C(=O)O MCULE-7021077384 [0,1,0,1,0,0|0,0,0]=2 1979 B10R1.349 O=C(O)[C@H]1C[C@H](C1)C(=O)O MCULE-2423808428 [0,1,0,1,0,0|0,0,0]=2 1980 B10R1.359 CC1(CCC(O1)C(=O)O)C MCULE-6347581531 [0,1,0,1,0,0|1,0,1]=4 1981 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 MCULE-3551776261 [0,1,0,1,0,0|1,0,1]=4 1982 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 MCULE-5768819085 [0,1,0,1,0,0|1,0,1]=4 1983 B10R1.360 C=C(C)C1(CC1C(=O)O)C MCULE-5145834120 [0,1,0,1,0,0|2,0,0]=4 1984 B10R1.360 CC1(CC1C(=O)O)C(=O)O MCULE-1315514899 [0,1,0,1,0,0|0,0,0]=2 1985 B10R1.470 CC1(CCC(=O)C1)C(=O)O MCULE-8301527257 [0,1,0,1,0,0|1,0,0]=3 1986 B10R1.470 CC1(CCC(=O)N1)C(=O)O MCULE-6271364258 [0,1,0,1,0,0|1,0,0]=3 1987 B10R1.470 CC1(CCC(=O)O1)C(=O)O MCULE-2009596037 [0,1,0,1,0,0|0,0,0]=2 1988 B10R1.470 CC1(CNC(=O)C1)C(=O)O MCULE-2188595466 [0,1,0,1,0,0|2,0,0]=4 1989 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O MCULE-6399167225 [0,1,0,1,0,0|1,0,0]=3 1990 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O MCULE-7144294782 [0,1,0,1,0,0|1,0,0]=3 1991 B10R1.470 C[C@]1(CCC(=O)N1)C(=O)O MCULE-6153592913 [0,1,0,1,0,0|1,0,0]=3 1992 B10R1.470 C[C@]1(CCC(=O)N1)C(=O)O MCULE-6971506580 [0,1,0,1,0,0|1,0,0]=3 1993 B10R1.59 C=C1C[C@@H]([C@@H](C1)C(=O)O)N MCULE-9822470688 [0,1,0,1,0,0|2,0,0]=4 1994 B10R1.59 CC1CC(=O)NC1C(=O)O MCULE-1142843058 [0,1,0,1,0,0|1,0,0]=3 1995 B10R1.59 CC1CC(C(O1)C(=O)O)C MCULE-6609295709 [0,1,0,1,0,0|1,0,1]=4 1996 B10R1.59 CC1NC(=O)CC1C(=O)O MCULE-1109266882 [0,1,0,1,0,0|2,0,0]=4 1997 B10R1.59 CC1OC(=O)NC1C(=O)O MCULE-7595794618 [0,1,0,1,0,0|2,0,0]=4 1998 B10R1.59 C[C@@H]1CC(=O)N[C@@H]1C(=O)O MCULE-5687745727 [0,1,0,1,0,0|1,0,0]=3 1999 B10R1.59 C[C@@H]1CC(=O)N[C@H]1C(=O)O MCULE-3978079245 [0,1,0,1,0,0|1,0,0]=3 2000 B10R1.59 C[C@H]1CC(=O)N[C@@H]1C(=O)O MCULE-1352855018 [0,1,0,1,0,0|1,0,0]=3 2001 B10R1.59 C[C@H]1CC(=O)N[C@H]1C(=O)O MCULE-6205979547 [0,1,0,1,0,0|1,0,0]=3 2002 B10R1.282 C=C1C(C1C(=O)O)C(=O)O MCULE-8215023904 [0,1,0,1,0,0|0,0,1]=3 2003 B10R1.282 C=C1[C@@H]([C@H]1C(=O)O)C(=O)O MCULE-9621561536 [0,1,0,1,0,0|0,0,1]=3 2004 B10R1.282 C=C1[C@H]([C@@H]1C(=O)O)C(=O)O MCULE-3101001045 [0,1,0,1,0,0|0,0,1]=3 2005 B10R1.282 CC1C(C1C(=O)O)C(=O)O MCULE-6282240195 [0,1,0,1,0,0|0,0,0]=2 2006 B10R1.371 O=C(O)CC1CS(=O)(=O)C1 MCULE-1664877962 [0,1,0,1,0,0|1,0,1]=4 2007 B10R1.307 O=P1(CCCP(=O)(C1)O)O MCULE-1671228402 [0,1,0,1,0,0|2,0,0]=4 2008 B10R2.60 O=C1CC2CC1CC2=O MCULE-4162023068 [0,0,0,2,0,0|2,0,0]=4 2009 B10R2.357 O=C(O)C1CC2OC2C1 MCULE-1665894100 [0,0,0,2,0,0|1,0,1]=4 2010 B10R2.315 O=C1CC2(C1)CC(=O)C2 MCULE-2763271753 [0,0,0,2,0,0|2,0,0]=4 2011 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,0,0,0,2,0|2,0,0]=4 2012 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,0,0,0,2,0|2,0,0]=4 2013 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,0,0,0,2,0|2,0,0]=4 2014 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,0,0,0,2,0|2,0,0]=4 2015 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,0,0,0,2,0|1,0,0]=3 2016 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,0,0,0,2,0|1,0,1]=4 2017 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,0,0,0,2,0|1,0,1]=4 2018 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,0,0,0,2,0|1,0,1]=4 2019 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,0,0,0,2,0|1,0,1]=4 2020 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,0,0,0,2,0|1,0,1]=4 2021 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,0,0,0,2,0|1,0,1]=4 2022 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,0,0,0,2,0|1,0,1]=4 2023 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,0,0,0,2,0|1,0,1]=4 2024 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [0,0,0,0,2,0|2,0,0]=4 2025 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,0,0,0,2,0|1,0,0]=3 2026 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [0,0,0,0,2,0|2,0,0]=4 2027 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,0,0,0,2,0|1,0,1]=4 2028 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,0,0,0,2,0|0,0,0]=2 2029 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [0,0,0,0,2,0|1,0,1]=4 2030 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [0,0,0,0,2,0|0,0,2]=4 2031 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [0,0,0,0,2,0|0,0,2]=4 2032 B10R0.97 C=C(Br)CCCCCC(=O)O MCULE-1129581582 [0,0,0,0,0,2|2,0,0]=4 2033 B10R0.97 C=C(C)CCCCCC(=O)O MCULE-6091105789 [0,0,0,0,0,2|2,0,0]=4 2034 B10R0.97 C=C(Cl)CCCCCC(=O)O MCULE-6548751857 [0,0,0,0,0,2|2,0,0]=4 2035 B10R0.97 CC(=CCCCCC(=O)O)C MCULE-6679290438 [0,0,0,0,0,2|2,0,0]=4 2036 B10R0.97 CC(=O)CCCCCC(=O)Cl MCULE-9699420066 [0,0,0,0,0,2|2,0,0]=4 2037 B10R0.97 CC(=O)CCCCCC(=O)O MCULE-4488400468 [0,0,0,0,0,2|1,0,0]=3 2038 B10R0.97 CC(=O)NCCCCC(=O)O MCULE-6323800073 [0,0,0,0,0,2|1,0,0]=3 2039 B10R0.97 CC(=O)NCCOCC(=O)O MCULE-8156973678 [0,0,0,0,0,2|1,0,0]=3 2040 B10R0.97 CC(=O)NCSCCC(=O)O MCULE-1672994332 [0,0,0,0,0,2|1,0,0]=3 2041 B10R0.97 CC(=O)OCCCOC(=O)C MCULE-1867773731 [0,0,0,0,0,2|2,0,0]=4 2042 B10R0.97 CC(O)CCCCCC(=O)O MCULE-8533691013 [0,0,0,0,0,2|1,0,1]=4 2043 B10R0.97 N=C(N)NCCCCC(=O)O MCULE-2807872503 [0,0,0,0,0,2|2,0,0]=4 2044 B10R0.97 N=C(N)SCCCCC(=O)O MCULE-6602460811 [0,0,0,0,0,2|2,0,0]=4 2045 B10R0.97 NC(=O)CCSCCC(=O)N MCULE-6169485438 [0,0,0,0,0,2|2,0,0]=4 2046 B10R0.97 NC(=O)NCCCCC(=O)O MCULE-1121500109 [0,0,0,0,0,2|1,0,0]=3 2047 B10R0.97 NC(=[NH2+])SCCCCC(=O)O MCULE-4252972328 [0,0,0,0,0,2|2,0,0]=4 2048 B10R0.97 O=C(Cl)CCCCCC(=O)Cl MCULE-6184277171 [0,0,0,0,0,2|2,0,0]=4 2049 B10R0.97 O=C(O)CCCCCC(=O)O MCULE-9618389016 [0,0,0,0,0,2|0,0,0]=2 2050 B10R0.97 O=C(O)CCCCCN(=O)=O MCULE-4861594242 [0,0,0,0,0,2|1,0,1]=4 2051 B10R0.97 O=C(O)CCCCON(=O)=O MCULE-6522646680 [0,0,0,0,0,2|1,0,1]=4 2052 B10R0.97 O=C(O)CCNCCC(=O)O MCULE-9497656945 [0,0,0,0,0,2|0,0,0]=2 2053 B10R0.97 O=C(O)CCOCCC(=O)O MCULE-3213537394 [0,0,0,0,0,2|0,0,0]=2 2054 B10R0.97 O=C(O)CCSCCC(=O)O MCULE-1300073378 [0,0,0,0,0,2|0,0,0]=2 2055 B10R0.97 O=C(O)CSCSCC(=O)O MCULE-7223873834 [0,0,0,0,0,2|0,0,0]=2