0 B7R0.16 C(C(=O)N)(C(=O)N)N A185601 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.16 C(C(=O)O)(C(=O)O)N A179126 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.16 C(C(=O)O)(C(=O)O)O T137374 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.16 CC(=O)C(C(=O)C)Cl C153944 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.16 CC(C(=O)O)C(=O)O M158074 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.16 CC(C(C(=O)N)N)O S303459 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.16 CC(C(C(=O)O)N)O L425658 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.16 CC(C(C(=O)O)N)O L471819 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.16 CC(C(C(=O)O)N)O S138236 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.16 CC(C(C(=O)O)N)O S161020 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.16 CC(C(C(=O)O)N)O T100459 [0,0,0,0,0,0|1,0,0]=1 11 B7R0.16 CC(C(C(=O)O)N)O T100954 [0,0,0,0,0,0|1,0,0]=1 12 B7R0.16 CC(C(C(=O)O)N)O T108221 [0,0,0,0,0,0|1,0,0]=1 13 B7R0.16 CC(C(C(=O)O)N)O T108222 [0,0,0,0,0,0|1,0,0]=1 14 B7R0.16 CC(C(C(=O)O)N)O T114829 [0,0,0,0,0,0|1,0,0]=1 15 B7R0.16 CC(C)C(=O)C(=O)O M194936 [0,0,0,0,0,0|1,0,1]=2 16 B7R0.16 CC(C)C(=O)C(=O)O M425860 [0,0,0,0,0,0|1,0,1]=2 17 B7R0.16 CC(C)C(=O)C(=O)[O-] C405686 [0,0,0,0,0,0|1,0,2]=3 18 B7R0.16 CC(C)C(=O)C(=O)[O-] K474034 [0,0,0,0,0,0|1,0,2]=3 19 B7R0.16 CC(C)C(=O)C(=O)[O-] S169975 [0,0,0,0,0,0|1,0,2]=3 20 B7R0.16 CC(C)C(C(=O)N)N S132765 [0,0,0,0,0,0|1,0,0]=1 21 B7R0.16 CC(C)C(C(=O)N)N V117016 [0,0,0,0,0,0|1,0,0]=1 22 B7R0.16 CC(C)C(C(=O)O)Br B101869 [0,0,0,0,0,0|1,0,0]=1 23 B7R0.16 CC(C)C(C(=O)O)Br B102423 [0,0,0,0,0,0|1,0,0]=1 24 B7R0.16 CC(C)C(C(=O)O)N L358417 [0,0,0,0,0,0|0,0,0]=0 25 B7R0.16 CC(C)C(C(=O)O)N L425655 [0,0,0,0,0,0|0,0,0]=0 26 B7R0.16 CC(C)C(C(=O)O)N V101067 [0,0,0,0,0,0|0,0,0]=0 27 B7R0.16 CC(C)C(C(=O)O)N V103487 [0,0,0,0,0,0|0,0,0]=0 28 B7R0.16 CC(C)C(C(=O)O)N V104896 [0,0,0,0,0,0|0,0,0]=0 29 B7R0.16 CC(C)C(C(=O)O)N V139523 [0,0,0,0,0,0|0,0,0]=0 30 B7R0.16 CC(C)C(C(=O)O)O H137225 [0,0,0,0,0,0|1,0,0]=1 31 B7R0.16 CC(C)C(C(=O)O)O S167911 [0,0,0,0,0,0|1,0,0]=1 32 B7R0.16 CC(C)C(C(C)C)O D154153 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.16 CC(C)C(C)C(C)C T161705 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.2 B(CC(C)C)(O)O M120307 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.2 B(CC(C)C)(O)O M299536 [1,0,0,0,0,0|1,0,1]=3 36 B6R0.2 C(C(=O)N)C(=O)O M168857 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.2 C(C(=O)O)C(=O)O M103513 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.2 C(C(=O)O)C(=O)O M103514 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.2 C(C(=O)O)C(=O)O M305754 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.2 C(C(=O)O)C(=O)O M421547 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.2 CC(=CC(=O)C)C M105926 [1,0,0,0,0,0|1,0,2]=4 42 B6R0.2 CC(=CC(=O)C)C M105927 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.2 CC(=CC(=O)C)C M105928 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.2 CC(=CC(=O)Cl)C D135082 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.2 CC(=CC(=O)O)C D102028 [1,0,0,0,0,0|0,0,2]=3 46 B6R0.2 CC(=O)CC(=O)C A110366 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.2 CC(=O)CC(=O)C A110367 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.2 CC(=O)CC(=O)C A110370 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.2 CC(=O)CC(=O)N A194123 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.2 CC(=O)CC(=O)[O-] L102932 [1,0,0,0,0,0|1,0,2]=4 51 B6R0.2 CC(=O)CC(=O)[O-] L490061 [1,0,0,0,0,0|1,0,2]=4 52 B6R0.2 CC(=O)CN(C)C D167514 [1,0,0,0,0,0|2,0,0]=3 53 B6R0.2 CC(C)C=C(C)C D155423 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.2 CC(C)CC(=O)C M108736 [1,0,0,0,0,0|1,0,0]=2 55 B6R0.2 CC(C)CC(=O)C M108737 [1,0,0,0,0,0|1,0,0]=2 56 B6R0.2 CC(C)CC(=O)C M108738 [1,0,0,0,0,0|1,0,0]=2 57 B6R0.2 CC(C)CC(=O)C M108740 [1,0,0,0,0,0|1,0,0]=2 58 B6R0.2 CC(C)CC(=O)C M108741 [1,0,0,0,0,0|1,0,0]=2 59 B6R0.2 CC(C)CC(=O)C M492092 [1,0,0,0,0,0|1,0,0]=2 60 B6R0.2 CC(C)CC(=O)Cl I157679 [1,0,0,0,0,0|1,0,0]=2 61 B6R0.2 CC(C)CC(=O)O I108280 [1,0,0,0,0,0|0,0,0]=1 62 B6R0.2 CC(C)CC(=O)O I108281 [1,0,0,0,0,0|0,0,0]=1 63 B6R0.2 CC(C)CC(=O)O I424338 [1,0,0,0,0,0|0,0,0]=1 64 B6R0.2 CC(C)CC(=O)O I432771 [1,0,0,0,0,0|0,0,0]=1 65 B6R0.2 CC(C)CC(C)C D155236 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.2 CC(C)CC(C)N D154510 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.2 CC(C)CC(C)O M104491 [1,0,0,0,0,0|1,0,1]=3 68 B6R0.2 CC(C)NC(=O)C N586389 [1,0,0,0,0,0|2,0,0]=3 69 B6R0.2 CC(C)OC(=O)C I103453 [1,0,0,0,0,0|2,0,0]=3 70 B6R0.2 CC(C)OC(=O)C I103454 [1,0,0,0,0,0|2,0,0]=3 71 B6R0.2 CC(C)OC(=O)C I103455 [1,0,0,0,0,0|2,0,0]=3 72 B6R0.2 CC(C)OC(=O)N I157610 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.2 CC(C)OC(=S)[S-] P160342 [1,0,0,0,0,0|1,2,0]=4 74 B6R0.2 CC(C)O[N+](=O)[O-] I342774 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.2 CC(CC(=O)O)Br B169132 [1,0,0,0,0,0|1,0,0]=2 76 B6R0.2 CC(CC(=O)O)Cl C153466 [1,0,0,0,0,0|1,0,0]=2 77 B6R0.2 CC(CC(=O)O)N A100948 [1,0,0,0,0,0|1,0,0]=2 78 B6R0.2 CC(CC(=O)O)N H117041 [1,0,0,0,0,0|1,0,0]=2 79 B6R0.2 CC(CC(=O)O)N R184127 [1,0,0,0,0,0|1,0,0]=2 80 B6R0.2 CC(CC(=O)O)N S193074 [1,0,0,0,0,0|1,0,0]=2 81 B6R0.2 CC(CC(=O)O)O P347707 [1,0,0,0,0,0|1,0,0]=2 82 B6R0.2 CC(CC(=O)O)O R304188 [1,0,0,0,0,0|1,0,0]=2 83 B6R0.2 CC(CC(=O)O)O R425172 [1,0,0,0,0,0|1,0,0]=2 84 B6R0.2 CC(CC(=O)O)O S161108 [1,0,0,0,0,0|1,0,0]=2 85 B6R0.2 CC(CC(=O)O)O S194215 [1,0,0,0,0,0|1,0,0]=2 86 B6R0.2 CC(CC(=O)[O-])O B301134 [1,0,0,0,0,0|1,0,1]=3 87 B6R0.2 CC(CC(=O)[O-])O H121822 [1,0,0,0,0,0|1,0,1]=3 88 B6R0.2 CC(CC(=O)[O-])O X131756 [1,0,0,0,0,0|1,0,1]=3 89 B6R0.2 CC(CC(C)O)O R160958 [1,0,0,0,0,0|2,0,1]=4 90 B6R0.2 CC(CC(C)O)O S161001 [1,0,0,0,0,0|2,0,1]=4 91 B6R0.2 CC(CN(C)C)O B282542 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.2 CC(CN(C)C)O D155704 [1,0,0,0,0,0|2,0,1]=4 93 B6R0.2 CC(OC(=O)C)Br B303662 [1,0,0,0,0,0|3,0,0]=4 94 B6R0.2 CC(OC(=O)Cl)Cl C100655 [1,0,0,0,0,0|3,0,0]=4 95 B6R0.2 CN(C)CC(=O)O D115675 [1,0,0,0,0,0|1,0,0]=2 96 B6R0.2 CN(C)CC(=O)O N159831 [1,0,0,0,0,0|1,0,0]=2 97 B6R0.2 CN(C)CC(=O)O N420632 [1,0,0,0,0,0|1,0,0]=2 98 B6R0.3 B(C(C)CC)(O)O B120306 [1,0,0,0,0,0|2,0,1]=4 99 B6R0.3 C(#N)C(C(=O)N)N A479345 [1,0,0,0,0,0|2,0,1]=4 100 B6R0.3 C(C(=O)C(=O)O)Br B120321 [1,0,0,0,0,0|2,0,1]=4 101 B6R0.3 C(C(=O)C(=O)O)O H276063 [1,0,0,0,0,0|2,0,1]=4 102 B6R0.3 C(C(C(=O)Cl)Br)Br D154492 [1,0,0,0,0,0|3,0,0]=4 103 B6R0.3 C(C(C(=O)Cl)Cl)Cl D300835 [1,0,0,0,0,0|3,0,0]=4 104 B6R0.3 C(C(C(=O)N)Br)Br D122847 [1,0,0,0,0,0|3,0,0]=4 105 B6R0.3 C(C(C(=O)N)N)O S134102 [1,0,0,0,0,0|2,0,0]=3 106 B6R0.3 C(C(C(=O)O)Br)Br D155446 [1,0,0,0,0,0|2,0,0]=3 107 B6R0.3 C(C(C(=O)O)N)Cl C153754 [1,0,0,0,0,0|1,0,0]=2 108 B6R0.3 C(C(C(=O)O)N)Cl C341469 [1,0,0,0,0,0|1,0,0]=2 109 B6R0.3 C(C(C(=O)O)N)N D102444 [1,0,0,0,0,0|1,0,0]=2 110 B6R0.3 C(C(C(=O)O)N)N D102445 [1,0,0,0,0,0|1,0,0]=2 111 B6R0.3 C(C(C(=O)O)N)N O105987 [1,0,0,0,0,0|1,0,0]=2 112 B6R0.3 C(C(C(=O)O)N)N S161147 [1,0,0,0,0,0|1,0,0]=2 113 B6R0.3 C(C(C(=O)O)N)O D423121 [1,0,0,0,0,0|1,0,0]=2 114 B6R0.3 C(C(C(=O)O)N)O D423225 [1,0,0,0,0,0|1,0,0]=2 115 B6R0.3 C(C(C(=O)O)N)O L424779 [1,0,0,0,0,0|1,0,0]=2 116 B6R0.3 C(C(C(=O)O)N)O L476400 [1,0,0,0,0,0|1,0,0]=2 117 B6R0.3 C(C(C(=O)O)N)O S103483 [1,0,0,0,0,0|1,0,0]=2 118 B6R0.3 C(C(C(=O)O)N)O S105977 [1,0,0,0,0,0|1,0,0]=2 119 B6R0.3 C(C(C(=O)O)N)O S108219 [1,0,0,0,0,0|1,0,0]=2 120 B6R0.3 C(C(C(=O)O)N)O S118658 [1,0,0,0,0,0|1,0,0]=2 121 B6R0.3 C(C(C(=O)O)N)O S137887 [1,0,0,0,0,0|1,0,0]=2 122 B6R0.3 C(C(C(=O)O)N)O S137888 [1,0,0,0,0,0|1,0,0]=2 123 B6R0.3 C(C(C(=O)O)N)O S432938 [1,0,0,0,0,0|1,0,0]=2 124 B6R0.3 C(C(C(=O)O)N)S C108237 [1,0,0,0,0,0|1,0,0]=2 125 B6R0.3 C(C(C(=O)O)N)S C108238 [1,0,0,0,0,0|1,0,0]=2 126 B6R0.3 C(C(C(=O)O)N)S C110184 [1,0,0,0,0,0|1,0,0]=2 127 B6R0.3 C(C(C(=O)O)N)S C110436 [1,0,0,0,0,0|1,0,0]=2 128 B6R0.3 C(C(C(=O)O)N)S C110437 [1,0,0,0,0,0|1,0,0]=2 129 B6R0.3 C(C(C(=O)O)N)S C113143 [1,0,0,0,0,0|1,0,0]=2 130 B6R0.3 C(C(C(=O)O)N)S C118575 [1,0,0,0,0,0|1,0,0]=2 131 B6R0.3 C(C(C(=O)O)N)S D304972 [1,0,0,0,0,0|1,0,0]=2 132 B6R0.3 C(C(C(=O)O)N)S L424532 [1,0,0,0,0,0|1,0,0]=2 133 B6R0.3 C(C(C(=O)O)N)S L424534 [1,0,0,0,0,0|1,0,0]=2 134 B6R0.3 C(C(C(=O)O)N)S L432833 [1,0,0,0,0,0|1,0,0]=2 135 B6R0.3 C(C(C(=O)O)N)S S161428 [1,0,0,0,0,0|1,0,0]=2 136 B6R0.3 C(C(C(=O)O)N)S S588042 [1,0,0,0,0,0|1,0,0]=2 137 B6R0.3 C(C(C(=O)O)O)N I123583 [1,0,0,0,0,0|2,0,0]=3 138 B6R0.3 C(C(C(=O)O)O)N S137278 [1,0,0,0,0,0|2,0,0]=3 139 B6R0.3 C(C(C(=O)O)O)O D278734 [1,0,0,0,0,0|2,0,0]=3 140 B6R0.3 C=C(CBr)C(=O)O B137347 [1,0,0,0,0,0|2,0,1]=4 141 B6R0.3 CC(C(=O)O)NC I133832 [1,0,0,0,0,0|2,0,0]=3 142 B6R0.3 CC(C(=O)O)NC I135858 [1,0,0,0,0,0|2,0,0]=3 143 B6R0.3 CC(C(=O)O)NC N303350 [1,0,0,0,0,0|2,0,0]=3 144 B6R0.3 CC(C(=O)O)OC M193402 [1,0,0,0,0,0|2,0,0]=3 145 B6R0.3 CC(C(=O)O)OC P477810 [1,0,0,0,0,0|2,0,0]=3 146 B6R0.3 CC(C(CO)N)O S134976 [1,0,0,0,0,0|1,0,1]=3 147 B6R0.3 CC(C(CO)N)O T117147 [1,0,0,0,0,0|1,0,1]=3 148 B6R0.3 CC(C(CO)O)O B152043 [1,0,0,0,0,0|2,0,1]=4 149 B6R0.3 CC(C)C(CO)N S160983 [1,0,0,0,0,0|0,0,1]=2 150 B6R0.3 CC(C)C(CO)N V117153 [1,0,0,0,0,0|0,0,1]=2 151 B6R0.3 CC(C)C(CO)N V118431 [1,0,0,0,0,0|0,0,1]=2 152 B6R0.3 CC(C=C)C(=O)O M404731 [1,0,0,0,0,0|1,0,2]=4 153 B6R0.3 CC(CBr)C(=O)O B135992 [1,0,0,0,0,0|2,0,0]=3 154 B6R0.3 CC(CN)C(=O)O D131745 [1,0,0,0,0,0|2,0,0]=3 155 B6R0.3 CC(CN)C(=O)O R340811 [1,0,0,0,0,0|2,0,0]=3 156 B6R0.3 CC(CN)C(=O)O S340803 [1,0,0,0,0,0|2,0,0]=3 157 B6R0.3 CC(CO)C(=O)O R343446 [1,0,0,0,0,0|2,0,0]=3 158 B6R0.3 CC(CS)C(=O)O M158216 [1,0,0,0,0,0|2,0,0]=3 159 B6R0.3 CC=C(C)C(=O)O B137277 [1,0,0,0,0,0|1,0,2]=4 160 B6R0.3 CC=C(C)C(=O)O T107164 [1,0,0,0,0,0|1,0,2]=4 161 B6R0.3 CC=C(C)C(C)C C153480 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.3 CCC(=C)C(=O)O E477290 [1,0,0,0,0,0|1,0,1]=3 163 B6R0.3 CCC(=O)C(=O)C P106293 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.3 CCC(=O)C(=O)O K106253 [1,0,0,0,0,0|1,0,1]=3 165 B6R0.3 CCC(=O)C(=O)[O-] S161412 [1,0,0,0,0,0|1,0,2]=4 166 B6R0.3 CCC(C(=O)Br)Br B135808 [1,0,0,0,0,0|2,0,0]=3 167 B6R0.3 CCC(C(=O)C)S M102973 [1,0,0,0,0,0|2,0,0]=3 168 B6R0.3 CCC(C(=O)Cl)Br B192121 [1,0,0,0,0,0|2,0,0]=3 169 B6R0.3 CCC(C(=O)Cl)Cl C139250 [1,0,0,0,0,0|2,0,0]=3 170 B6R0.3 CCC(C(=O)N)Cl B301389 [1,0,0,0,0,0|2,0,0]=3 171 B6R0.3 CCC(C(=O)N)N A119770 [1,0,0,0,0,0|1,0,0]=2 172 B6R0.3 CCC(C(=O)N)N A124384 [1,0,0,0,0,0|1,0,0]=2 173 B6R0.3 CCC(C(=O)O)Br B108037 [1,0,0,0,0,0|1,0,0]=2 174 B6R0.3 CCC(C(=O)O)Cl C153465 [1,0,0,0,0,0|1,0,0]=2 175 B6R0.3 CCC(C(=O)O)Cl S161173 [1,0,0,0,0,0|1,0,0]=2 176 B6R0.3 CCC(C(=O)O)N A109788 [1,0,0,0,0,0|0,0,0]=1 177 B6R0.3 CCC(C(=O)O)N A111241 [1,0,0,0,0,0|0,0,0]=1 178 B6R0.3 CCC(C(=O)O)N A111260 [1,0,0,0,0,0|0,0,0]=1 179 B6R0.3 CCC(C(=O)O)N A414642 [1,0,0,0,0,0|0,0,0]=1 180 B6R0.3 CCC(C(=O)O)N D422924 [1,0,0,0,0,0|0,0,0]=1 181 B6R0.3 CCC(C(=O)O)O D298806 [1,0,0,0,0,0|1,0,0]=2 182 B6R0.3 CCC(C(=O)O)O S192800 [1,0,0,0,0,0|1,0,0]=2 183 B6R0.3 CCC(C(=O)[O-])O H101414 [1,0,0,0,0,0|1,0,1]=3 184 B6R0.3 CCC(C(C)C)O M304012 [1,0,0,0,0,0|2,0,1]=4 185 B6R0.3 CCC(C)C(=O)C M158800 [1,0,0,0,0,0|2,0,0]=3 186 B6R0.3 CCC(C)C(=O)O I167890 [1,0,0,0,0,0|1,0,0]=2 187 B6R0.3 CCC(C)C(=O)O M107377 [1,0,0,0,0,0|1,0,0]=2 188 B6R0.3 CCC(C)C(C)C D155235 [1,0,0,0,0,0|2,0,1]=4 189 B6R0.3 CCC(C)C(C)C D465563 [1,0,0,0,0,0|2,0,1]=4 190 B6R0.3 CCN(C)C(=O)C N193140 [1,0,0,0,0,0|3,0,0]=4 191 B6R0.3 CCN(C)C(=O)Cl N159123 [1,0,0,0,0,0|3,0,0]=4 192 B6R0.3 CNC(=O)C(=O)O M588605 [1,0,0,0,0,0|2,0,1]=4 193 B6R0.3 [13CH2]([C@@H]([13C](=O)O)[15NH2])O L471826 [1,0,0,0,0,0|1,0,0]=2 194 B8R0.2 C(C(C(C(=O)[O-])O)O)O M195037 [0,1,0,0,0,0|2,0,1]=4 195 B8R0.2 C(C(C(C(=O)[O-])O)O)O P344339 [0,1,0,0,0,0|2,0,1]=4 196 B8R0.2 C(C(C(C(=O)[O-])O)O)O T107895 [0,1,0,0,0,0|2,0,1]=4 197 B8R0.2 CC(=O)C(C(=O)OC)Cl M135839 [0,1,0,0,0,0|2,0,1]=4 198 B8R0.2 CC(C(C(=O)O)N)OC M105982 [0,1,0,0,0,0|0,0,0]=1 199 B8R0.2 CC(C(C(=O)OC)N)O T117005 [0,1,0,0,0,0|1,0,0]=2 200 B8R0.2 CC(C(C(C=O)O)O)O D350765 [0,1,0,0,0,0|2,0,1]=4 201 B8R0.2 CC(C)C(C(=O)OC)N D133919 [0,1,0,0,0,0|0,0,0]=1 202 B8R0.2 CC(C)C(C(=O)OC)N V105985 [0,1,0,0,0,0|0,0,0]=1 203 B8R0.2 CC(C)C(C(=O)OC)N V117182 [0,1,0,0,0,0|0,0,0]=1 204 B8R0.2 CCC(C)C(=O)C(=O)O M158380 [0,1,0,0,0,0|1,0,1]=3 205 B8R0.2 CCC(C)C(=O)C(=O)[O-] C154025 [0,1,0,0,0,0|1,0,2]=4 206 B8R0.2 CCC(C)C(C(=O)N)N I110996 [0,1,0,0,0,0|1,0,0]=2 207 B8R0.2 CCC(C)C(C(=O)O)N D465658 [0,1,0,0,0,0|0,0,0]=1 208 B8R0.2 CCC(C)C(C(=O)O)N I103488 [0,1,0,0,0,0|0,0,0]=1 209 B8R0.2 CCC(C)C(C(=O)O)N I105431 [0,1,0,0,0,0|0,0,0]=1 210 B8R0.2 CCC(C)C(C(=O)O)N I113733 [0,1,0,0,0,0|0,0,0]=1 211 B8R0.2 CCC(C)C(C(=O)O)N I113995 [0,1,0,0,0,0|0,0,0]=1 212 B8R0.2 CCC(C)C(C(=O)O)N I115775 [0,1,0,0,0,0|0,0,0]=1 213 B8R0.2 CCC(C)C(C(=O)O)N I117745 [0,1,0,0,0,0|0,0,0]=1 214 B8R0.2 CCC(C)C(C(=O)O)N L425728 [0,1,0,0,0,0|0,0,0]=1 215 B8R0.2 CCC(C)C(C(=O)O)O H351180 [0,1,0,0,0,0|1,0,0]=2 216 B8R0.18 CC(C(C(=O)O)NC)O N465019 [0,1,0,0,0,0|1,0,0]=2 217 B8R0.18 CC(C)C(C(=O)O)NC I137132 [0,1,0,0,0,0|0,0,0]=1 218 B8R0.18 CC(C)C(CN)C(=O)O I166834 [0,1,0,0,0,0|0,0,0]=1 219 B8R0.27 C(C(=O)O)(C(F)(F)F)F T480008 [0,1,0,0,0,0|3,0,0]=4 220 B8R0.27 C(C(=O)O)(C(F)(F)F)N A132515 [0,1,0,0,0,0|2,0,0]=3 221 B8R0.27 C(C(=O)O)(C(F)(F)F)O I166760 [0,1,0,0,0,0|3,0,0]=4 222 B8R0.27 CC(C(=O)O)C(F)(F)F T588950 [0,1,0,0,0,0|3,0,0]=4 223 B8R0.27 CC(C)(C(C(=O)O)N)F F170342 [0,1,0,0,0,0|0,0,0]=1 224 B8R0.27 CC(C)(C(C(=O)O)N)S D424522 [0,1,0,0,0,0|0,0,0]=1 225 B8R0.27 CC(C)(C(C(=O)O)N)S D424523 [0,1,0,0,0,0|0,0,0]=1 226 B8R0.27 CC(C)(C(C(=O)O)N)S P113830 [0,1,0,0,0,0|0,0,0]=1 227 B8R0.27 CC(C)(C(C(=O)O)N)S P115952 [0,1,0,0,0,0|0,0,0]=1 228 B8R0.27 CC(C)(C(C(=O)O)N)S P299173 [0,1,0,0,0,0|0,0,0]=1 229 B8R0.27 CC(C)(C(C(=O)O)N)S S161218 [0,1,0,0,0,0|0,0,0]=1 230 B8R0.27 CC(C)(C)C(=O)C(=O)O D154871 [0,1,0,0,0,0|1,0,1]=3 231 B8R0.27 CC(C)(C)C(C(=O)N)N L304556 [0,1,0,0,0,0|1,0,0]=2 232 B8R0.27 CC(C)(C)C(C(=O)O)N D115672 [0,1,0,0,0,0|0,0,0]=1 233 B8R0.27 CC(C)(C)C(C(=O)O)N L102884 [0,1,0,0,0,0|0,0,0]=1 234 B8R0.27 CC(C)(C)C(C(=O)O)N L102895 [0,1,0,0,0,0|0,0,0]=1 235 B8R0.27 CC(C)(C)C(C(=O)O)O S470627 [0,1,0,0,0,0|1,0,0]=2 236 B8R0.37 CC(C)C(C)(C(=O)N)N A184403 [0,1,0,0,0,0|1,0,0]=2 237 B8R0.37 CC(C)C(C)(C(=O)O)N A354426 [0,1,0,0,0,0|0,0,0]=1 238 B8R0.37 CC(C)C(C)(C(=O)O)N M107879 [0,1,0,0,0,0|0,0,0]=1 239 B8R1.50 C1C(C(C(=O)O1)O)O D130853 [0,0,0,1,0,0|2,0,0]=3 240 B8R1.50 CC1CCC(=O)C1=O M109224 [0,0,0,1,0,0|2,0,1]=4 241 B8R1.50 CC1CCC(=O)N1C D467310 [0,0,0,1,0,0|3,0,0]=4 242 B8R1.54 C1CC1C(C(=O)O)N S170587 [0,0,0,1,0,0|0,0,0]=1 243 B8R1.77 C1C(C1(F)F)C(=O)O D165818 [0,0,0,1,0,0|3,0,0]=4 244 B8R1.77 CC1(CC1C(=O)N)C D102248 [0,0,0,1,0,0|2,0,0]=3 245 B8R1.77 CC1(CC1C(=O)O)C D194933 [0,0,0,1,0,0|1,0,0]=2 246 B8R1.77 CC1(CC1C(=O)O)C S161036 [0,0,0,1,0,0|1,0,0]=2 247 B8R0.23 C(C(C(=O)N)N)C(=O)O D182538 [0,0,0,0,0,1|2,0,1]=4 248 B8R0.23 C(C(C(=O)O)N)C(=O)N A105949 [0,0,0,0,0,1|2,0,1]=4 249 B8R0.23 C(C(C(=O)O)N)C(=O)N A108223 [0,0,0,0,0,1|2,0,1]=4 250 B8R0.23 C(C(C(=O)O)N)C(=O)N A108224 [0,0,0,0,0,1|2,0,1]=4 251 B8R0.23 C(C(C(=O)O)N)C(=O)N A110994 [0,0,0,0,0,1|2,0,1]=4 252 B8R0.23 C(C(C(=O)O)N)C(=O)N A117781 [0,0,0,0,0,1|2,0,1]=4 253 B8R0.23 C(C(C(=O)O)N)C(=O)N A119452 [0,0,0,0,0,1|2,0,1]=4 254 B8R0.23 C(C(C(=O)O)N)C(=O)N D121586 [0,0,0,0,0,1|2,0,1]=4 255 B8R0.23 C(C(C(=O)O)N)C(=O)N L424868 [0,0,0,0,0,1|2,0,1]=4 256 B8R0.23 C(C(C(=O)O)N)C(=O)N L425606 [0,0,0,0,0,1|2,0,1]=4 257 B8R0.23 C(C(C(=O)O)N)C(=O)N L478521 [0,0,0,0,0,1|2,0,1]=4 258 B8R0.23 C(C(C(=O)O)N)C(=O)O A105951 [0,0,0,0,0,1|2,0,1]=4 259 B8R0.23 C(C(C(=O)O)N)C(=O)O A108708 [0,0,0,0,0,1|2,0,1]=4 260 B8R0.23 C(C(C(=O)O)N)C(=O)O A108860 [0,0,0,0,0,1|2,0,1]=4 261 B8R0.23 C(C(C(=O)O)N)C(=O)O A108861 [0,0,0,0,0,1|2,0,1]=4 262 B8R0.23 C(C(C(=O)O)N)C(=O)O A117776 [0,0,0,0,0,1|2,0,1]=4 263 B8R0.23 C(C(C(=O)O)N)C(=O)O A117777 [0,0,0,0,0,1|2,0,1]=4 264 B8R0.23 C(C(C(=O)O)N)C(=O)O A137730 [0,0,0,0,0,1|2,0,1]=4 265 B8R0.23 C(C(C(=O)O)N)C(=O)O A304400 [0,0,0,0,0,1|2,0,1]=4 266 B8R0.23 C(C(C(=O)O)N)C(=O)O L274318 [0,0,0,0,0,1|2,0,1]=4 267 B8R0.23 C(C(C(=O)O)N)C(=O)O L424798 [0,0,0,0,0,1|2,0,1]=4 268 B8R0.23 C(C(C(=O)O)N)C(=O)O L471827 [0,0,0,0,0,1|2,0,1]=4 269 B8R0.23 C(C(C(=O)O)N)C(=O)O L475308 [0,0,0,0,0,1|2,0,1]=4 270 B8R0.23 C(C(C(=O)O)N)C(=O)O L476204 [0,0,0,0,0,1|2,0,1]=4 271 B8R0.23 C(C(C(=O)O)N)C(=O)O M132322 [0,0,0,0,0,1|2,0,1]=4 272 B8R0.23 C(C(C(=O)O)N)C(=O)O P303238 [0,0,0,0,0,1|2,0,1]=4 273 B8R0.23 C(C(C(=O)O)N)C(=O)O S432943 [0,0,0,0,0,1|2,0,1]=4 274 B8R0.23 C(C(C(=O)O)N)C(=O)[O-] L182670 [0,0,0,0,0,1|2,0,1]=4 275 B8R0.23 C(C(C(=O)O)N)S(=O)O L288573 [0,0,0,0,0,1|3,0,0]=4 276 B8R0.23 C(C(C(=O)[O-])N)C(=O)O D465226 [0,0,0,0,0,1|2,0,1]=4 277 B8R0.23 C(C(C(=O)[O-])N)C(=O)O L193085 [0,0,0,0,0,1|2,0,1]=4 278 B8R0.23 C(C(C(=O)[O-])N)C(=O)O L465034 [0,0,0,0,0,1|2,0,1]=4 279 B8R0.23 C(C(C(=O)[O-])N)C(=O)O P160327 [0,0,0,0,0,1|2,0,1]=4 280 B8R0.23 C(C(C(=O)[O-])N)C(=O)O S169558 [0,0,0,0,0,1|2,0,1]=4 281 B8R0.23 CC(C(=O)O)NC(=O)C A105813 [0,0,0,0,0,1|2,0,1]=4 282 B8R0.23 CC(C(=O)O)NC(=O)C A109205 [0,0,0,0,0,1|2,0,1]=4 283 B8R0.23 CC(C(=O)O)NC(=O)C A117196 [0,0,0,0,0,1|2,0,1]=4 284 B8R0.23 CC(C(=O)O)NC(=O)C A427198 [0,0,0,0,0,1|2,0,1]=4 285 B8R0.23 CC(C(=O)O)OC(=O)C A151194 [0,0,0,0,0,1|2,0,1]=4 286 B8R0.23 CC(C(=O)O)OC(=O)C R405630 [0,0,0,0,0,1|2,0,1]=4 287 B8R0.23 CC(C(=O)O)OC(=O)C S161041 [0,0,0,0,0,1|2,0,1]=4 288 B8R0.23 CC(C(CC(=O)O)N)O H352839 [0,0,0,0,0,1|1,0,0]=2 289 B8R0.23 CC(C)C(CC(=O)O)N L102509 [0,0,0,0,0,1|0,0,0]=1 290 B8R0.23 CC(C)C(CC(=O)O)N L182849 [0,0,0,0,0,1|0,0,0]=1 291 B8R0.23 CC(C)C(CC(=O)O)N R194939 [0,0,0,0,0,1|0,0,0]=1 292 B8R0.23 CC(C)C(CC(=O)O)N S193261 [0,0,0,0,0,1|0,0,0]=1 293 B8R0.23 CC(C)CC(=O)C(=O)O M104530 [0,0,0,0,0,1|1,0,1]=3 294 B8R0.23 CC(C)CC(=O)C(=O)O M401024 [0,0,0,0,0,1|1,0,1]=3 295 B8R0.23 CC(C)CC(=O)C(=O)[O-] C107926 [0,0,0,0,0,1|1,0,2]=4 296 B8R0.23 CC(C)CC(=O)C(=O)[O-] M136620 [0,0,0,0,0,1|1,0,2]=4 297 B8R0.23 CC(C)CC(C(=O)N)N H299483 [0,0,0,0,0,1|1,0,0]=2 298 B8R0.23 CC(C)CC(C(=O)N)N S161269 [0,0,0,0,0,1|1,0,0]=2 299 B8R0.23 CC(C)CC(C(=O)N)N S165636 [0,0,0,0,0,1|1,0,0]=2 300 B8R0.23 CC(C)CC(C(=O)O)Br B193385 [0,0,0,0,0,1|1,0,0]=2 301 B8R0.23 CC(C)CC(C(=O)O)Cl S161181 [0,0,0,0,0,1|1,0,0]=2 302 B8R0.23 CC(C)CC(C(=O)O)N L100046 [0,0,0,0,0,1|0,0,0]=1 303 B8R0.23 CC(C)CC(C(=O)O)N L104898 [0,0,0,0,0,1|0,0,0]=1 304 B8R0.23 CC(C)CC(C(=O)O)N L110997 [0,0,0,0,0,1|0,0,0]=1 305 B8R0.23 CC(C)CC(C(=O)O)N L117742 [0,0,0,0,0,1|0,0,0]=1 306 B8R0.23 CC(C)CC(C(=O)O)N L425126 [0,0,0,0,0,1|0,0,0]=1 307 B8R0.23 CC(C)CC(C(=O)O)N L433130 [0,0,0,0,0,1|0,0,0]=1 308 B8R0.23 CC(C)CC(C(=O)O)O L421425 [0,0,0,0,0,1|1,0,0]=2 309 B8R0.23 CC(C)CC(C(=O)O)O R182597 [0,0,0,0,0,1|1,0,0]=2 310 B8R0.23 CC(C)CC(C(=O)O)O S161033 [0,0,0,0,0,1|1,0,0]=2 311 B8R0.23 CC(C)CC(C(=O)O)O S161215 [0,0,0,0,0,1|1,0,0]=2 312 B8R0.23 CC(CC(=O)C)C(=O)O A151464 [0,0,0,0,0,1|2,0,1]=4 313 B8R0.23 CC(CC(=O)O)C(=O)C B152315 [0,0,0,0,0,1|2,0,1]=4 314 B8R0.23 CS(=O)CC(C(=O)O)N M106189 [0,0,0,0,0,1|2,0,0]=3 315 B5R0.1 B(CCC)(O)O P120303 [2,0,0,0,0,0|1,0,1]=4 316 B5R0.1 C#CCC(=O)O B168856 [2,0,0,0,0,0|0,0,2]=4 317 B5R0.1 C(C#N)C(=O)O C105698 [2,0,0,0,0,0|1,0,1]=4 318 B5R0.1 C(C(=O)O)ON C109697 [2,0,0,0,0,0|2,0,0]=4 319 B5R0.1 C(CBr)C(=O)Cl B135557 [2,0,0,0,0,0|2,0,0]=4 320 B5R0.1 C(CBr)C(=O)N B152335 [2,0,0,0,0,0|2,0,0]=4 321 B5R0.1 C(CBr)C(=O)O B106081 [2,0,0,0,0,0|1,0,0]=3 322 B5R0.1 C(CCl)C(=O)Cl C109466 [2,0,0,0,0,0|2,0,0]=4 323 B5R0.1 C(CCl)C(=O)N C171099 [2,0,0,0,0,0|2,0,0]=4 324 B5R0.1 C(CCl)C(=O)O C106515 [2,0,0,0,0,0|1,0,0]=3 325 B5R0.1 C(CI)C(=O)O I157542 [2,0,0,0,0,0|1,0,0]=3 326 B5R0.1 C(CN)C(=O)N B135870 [2,0,0,0,0,0|2,0,0]=4 327 B5R0.1 C(CN)C(=O)O A105703 [2,0,0,0,0,0|1,0,0]=3 328 B5R0.1 C(CN)C(=O)O A137901 [2,0,0,0,0,0|1,0,0]=3 329 B5R0.1 C(CN)C(=O)O A494514 [2,0,0,0,0,0|1,0,0]=3 330 B5R0.1 C(CO)C(=O)O H136635 [2,0,0,0,0,0|1,0,0]=3 331 B5R0.1 C(CS(=O)O)N H303371 [2,0,0,0,0,0|2,0,0]=4 332 B5R0.1 C(CS)C(=O)O M103035 [2,0,0,0,0,0|1,0,0]=3 333 B5R0.1 C(CS)C(=O)O M103036 [2,0,0,0,0,0|1,0,0]=3 334 B5R0.1 C(CS)C(=O)O M590994 [2,0,0,0,0,0|1,0,0]=3 335 B5R0.1 C=CCC(=O)O B152769 [2,0,0,0,0,0|0,0,2]=4 336 B5R0.1 C=CCC(=O)O B152771 [2,0,0,0,0,0|0,0,2]=4 337 B5R0.1 CC#CC(=O)O B113384 [2,0,0,0,0,0|0,0,2]=4 338 B5R0.1 CC(=CC=O)C M158692 [2,0,0,0,0,0|0,0,2]=4 339 B5R0.1 CC(=O)CCO H106330 [2,0,0,0,0,0|2,0,0]=4 340 B5R0.1 CC(=O)COC M158844 [2,0,0,0,0,0|2,0,0]=4 341 B5R0.1 CC(C)CC#C M157952 [2,0,0,0,0,0|1,0,1]=4 342 B5R0.1 CC(C)CC#N I137312 [2,0,0,0,0,0|1,0,1]=4 343 B5R0.1 CC(C)CC=C M158219 [2,0,0,0,0,0|1,0,0]=3 344 B5R0.1 CC(C)CC=O I103729 [2,0,0,0,0,0|0,0,0]=2 345 B5R0.1 CC(C)CC=O I103733 [2,0,0,0,0,0|0,0,0]=2 346 B5R0.1 CC(C)CCBr I109279 [2,0,0,0,0,0|1,0,1]=4 347 B5R0.1 CC(C)CCCl C105682 [2,0,0,0,0,0|1,0,1]=4 348 B5R0.1 CC(C)CCI I100674 [2,0,0,0,0,0|1,0,1]=4 349 B5R0.1 CC(C)CCN I109581 [2,0,0,0,0,0|1,0,1]=4 350 B5R0.1 CC(C)CCN I404590 [2,0,0,0,0,0|1,0,1]=4 351 B5R0.1 CC(C)CCO M116196 [2,0,0,0,0,0|0,0,1]=3 352 B5R0.1 CC(C)CCO M116197 [2,0,0,0,0,0|0,0,1]=3 353 B5R0.1 CC(C)CCO M116198 [2,0,0,0,0,0|0,0,1]=3 354 B5R0.1 CC(C)CCO M116200 [2,0,0,0,0,0|0,0,1]=3 355 B5R0.1 CC(C)CCO M116201 [2,0,0,0,0,0|0,0,1]=3 356 B5R0.1 CC(C)CCO M119838 [2,0,0,0,0,0|0,0,1]=3 357 B5R0.1 CC(C)CCS M101609 [2,0,0,0,0,0|0,1,1]=4 358 B5R0.1 CC(C)CNN I588327 [2,0,0,0,0,0|2,0,0]=4 359 B5R0.1 CC(C)C[Zn]Br I465880 [2,0,0,0,0,0|2,0,0]=4 360 B5R0.1 CC(C)OC=O I112304 [2,0,0,0,0,0|1,0,0]=3 361 B5R0.1 CC(CC=C)O P160534 [2,0,0,0,0,0|2,0,0]=4 362 B5R0.1 CC(CC=C)O R467366 [2,0,0,0,0,0|2,0,0]=4 363 B5R0.1 CC(CC=C)O S467331 [2,0,0,0,0,0|2,0,0]=4 364 B5R0.1 CC(CCO)N A123608 [2,0,0,0,0,0|1,0,1]=4 365 B5R0.1 CC(CCO)N A183438 [2,0,0,0,0,0|1,0,1]=4 366 B5R0.1 CC(CCO)N S176942 [2,0,0,0,0,0|1,0,1]=4 367 B5R0.1 CC(CCO)O B111016 [2,0,0,0,0,0|1,0,1]=4 368 B5R0.1 CC(CCO)O B111017 [2,0,0,0,0,0|1,0,1]=4 369 B5R0.1 CC(CCO)O B111018 [2,0,0,0,0,0|1,0,1]=4 370 B5R0.1 CC(CCO)O B119672 [2,0,0,0,0,0|1,0,1]=4 371 B5R0.1 CC(CCO)O R160960 [2,0,0,0,0,0|1,0,1]=4 372 B5R0.1 CC(CCO)O S138551 [2,0,0,0,0,0|1,0,1]=4 373 B5R0.1 CC=CC(=O)O C104149 [2,0,0,0,0,0|0,0,2]=4 374 B5R0.1 CC=CC(=O)O C104150 [2,0,0,0,0,0|0,0,2]=4 375 B5R0.1 CC=CC(C)C M158236 [2,0,0,0,0,0|1,0,1]=4 376 B5R0.1 CC=CC(C)C T162379 [2,0,0,0,0,0|1,0,1]=4 377 B5R0.1 CCCC(=C)C M158211 [2,0,0,0,0,0|2,0,0]=4 378 B5R0.1 CCCC(=O)C P103780 [2,0,0,0,0,0|1,0,0]=3 379 B5R0.1 CCCC(=O)C P103781 [2,0,0,0,0,0|1,0,0]=3 380 B5R0.1 CCCC(=O)C P103782 [2,0,0,0,0,0|1,0,0]=3 381 B5R0.1 CCCC(=O)C P103783 [2,0,0,0,0,0|1,0,0]=3 382 B5R0.1 CCCC(=O)Cl B108666 [2,0,0,0,0,0|1,0,0]=3 383 B5R0.1 CCCC(=O)N B152329 [2,0,0,0,0,0|1,0,0]=3 384 B5R0.1 CCCC(=O)O B110438 [2,0,0,0,0,0|0,0,0]=2 385 B5R0.1 CCCC(=O)O B110439 [2,0,0,0,0,0|0,0,0]=2 386 B5R0.1 CCCC(=O)O B110440 [2,0,0,0,0,0|0,0,0]=2 387 B5R0.1 CCCC(=O)O B110442 [2,0,0,0,0,0|0,0,0]=2 388 B5R0.1 CCCC(=O)O B274612 [2,0,0,0,0,0|0,0,0]=2 389 B5R0.1 CCCC(=O)O B431361 [2,0,0,0,0,0|0,0,0]=2 390 B5R0.1 CCCC(=O)[O-] S102954 [2,0,0,0,0,0|0,0,1]=3 391 B5R0.1 CCCC(=O)[O-] S102956 [2,0,0,0,0,0|0,0,1]=3 392 B5R0.1 CCCC(=O)[O-] S346178 [2,0,0,0,0,0|0,0,1]=3 393 B5R0.1 CCCC(=O)[O-] S421873 [2,0,0,0,0,0|0,0,1]=3 394 B5R0.1 CCCC(C)C I157548 [2,0,0,0,0,0|1,0,1]=4 395 B5R0.1 CCCC(C)C M105775 [2,0,0,0,0,0|1,0,1]=4 396 B5R0.1 CCCC(C)C M105776 [2,0,0,0,0,0|1,0,1]=4 397 B5R0.1 CCCC(C)C M105777 [2,0,0,0,0,0|1,0,1]=4 398 B5R0.1 CCCC(C)C M105778 [2,0,0,0,0,0|1,0,1]=4 399 B5R0.1 CCCC(C)C M137744 [2,0,0,0,0,0|1,0,1]=4 400 B5R0.1 CCCC(C)O P103442 [2,0,0,0,0,0|1,0,1]=4 401 B5R0.1 CCCC(C)O P103443 [2,0,0,0,0,0|1,0,1]=4 402 B5R0.1 CCCC(C)O R138651 [2,0,0,0,0,0|1,0,1]=4 403 B5R0.1 CCCC(C)O S138580 [2,0,0,0,0,0|1,0,1]=4 404 B5R0.1 CCC[N+](=O)[O-] N109053 [2,0,0,0,0,0|1,0,1]=4 405 B5R0.1 CCNC(=O)C I135660 [2,0,0,0,0,0|2,0,0]=4 406 B5R0.1 CCNC(=O)N E105944 [2,0,0,0,0,0|2,0,0]=4 407 B5R0.1 CCOC(=O)C E116131 [2,0,0,0,0,0|2,0,0]=4 408 B5R0.1 CCOC(=O)C E116132 [2,0,0,0,0,0|2,0,0]=4 409 B5R0.1 CCOC(=O)C E116133 [2,0,0,0,0,0|2,0,0]=4 410 B5R0.1 CCOC(=O)C E116134 [2,0,0,0,0,0|2,0,0]=4 411 B5R0.1 CCOC(=O)C E116135 [2,0,0,0,0,0|2,0,0]=4 412 B5R0.1 CCOC(=O)C E116136 [2,0,0,0,0,0|2,0,0]=4 413 B5R0.1 CCOC(=O)C E116137 [2,0,0,0,0,0|2,0,0]=4 414 B5R0.1 CCOC(=O)C E116138 [2,0,0,0,0,0|2,0,0]=4 415 B5R0.1 CCOC(=O)C E116139 [2,0,0,0,0,0|2,0,0]=4 416 B5R0.1 CCOC(=O)C E116141 [2,0,0,0,0,0|2,0,0]=4 417 B5R0.1 CCOC(=O)C E116142 [2,0,0,0,0,0|2,0,0]=4 418 B5R0.1 CCOC(=O)C E119698 [2,0,0,0,0,0|2,0,0]=4 419 B5R0.1 CCOC(=O)C E141165 [2,0,0,0,0,0|2,0,0]=4 420 B5R0.1 CCOC(=O)C E302266 [2,0,0,0,0,0|2,0,0]=4 421 B5R0.1 CCOC(=O)C E432070 [2,0,0,0,0,0|2,0,0]=4 422 B5R0.1 CCOC(=O)N C266075 [2,0,0,0,0,0|2,0,0]=4 423 B5R0.1 CCOC(=O)N E424443 [2,0,0,0,0,0|2,0,0]=4 424 B5R0.1 CCOC(=O)N U108629 [2,0,0,0,0,0|2,0,0]=4 425 B5R0.1 CCOC(=O)N U299635 [2,0,0,0,0,0|2,0,0]=4 426 B5R0.1 CCO[Si](=O)O E302202 [2,0,0,0,0,0|1,1,0]=4 427 B5R0.1 CCSC(=O)C E107950 [2,0,0,0,0,0|2,0,0]=4 428 B5R0.1 CN(C)CC=C D117859 [2,0,0,0,0,0|2,0,0]=4 429 B5R0.1 CN(C)CC=O D587172 [2,0,0,0,0,0|1,0,0]=3 430 B5R0.1 CN(C)CCO D109078 [2,0,0,0,0,0|1,0,1]=4 431 B5R0.1 CN(C)CCO D109079 [2,0,0,0,0,0|1,0,1]=4 432 B5R0.1 CN(C)CCO D109080 [2,0,0,0,0,0|1,0,1]=4 433 B5R0.1 CNCC(=O)N S115899 [2,0,0,0,0,0|2,0,0]=4 434 B5R0.1 CNCC(=O)O S102891 [2,0,0,0,0,0|1,0,0]=3 435 B5R0.1 CNCC(=O)O S113893 [2,0,0,0,0,0|1,0,0]=3 436 B5R0.1 CNCC(=O)O S420541 [2,0,0,0,0,0|1,0,0]=3 437 B5R0.1 CNCC(=O)[O-] S189142 [2,0,0,0,0,0|1,0,1]=4 438 B5R0.1 COCC(=O)Cl M124203 [2,0,0,0,0,0|2,0,0]=4 439 B5R0.1 COCC(=O)O M158057 [2,0,0,0,0,0|1,0,0]=3 440 B5R0.1 CSCC(=O)N M158330 [2,0,0,0,0,0|2,0,0]=4 441 B5R0.1 CSCC(=O)O M168970 [2,0,0,0,0,0|1,0,0]=3 442 B5R0.3 C(C(C=O)O)O D134978 [2,0,0,0,0,0|2,0,0]=4 443 B5R0.3 C(C(C=O)O)O D589509 [2,0,0,0,0,0|2,0,0]=4 444 B5R0.3 C(C(C=O)O)O S138916 [2,0,0,0,0,0|2,0,0]=4 445 B5R0.3 C(C(CO)N)O A100952 [2,0,0,0,0,0|1,0,1]=4 446 B5R0.3 C(C(CO)N)O A101351 [2,0,0,0,0,0|1,0,1]=4 447 B5R0.3 CCC(=C)C=O E189230 [2,0,0,0,0,0|1,0,1]=4 448 B5R0.3 CCC(=NO)N P138620 [2,0,0,0,0,0|1,0,1]=4 449 B5R0.3 CCC(C)C=C M158226 [2,0,0,0,0,0|2,0,0]=4 450 B5R0.3 CCC(C)C=O M158687 [2,0,0,0,0,0|1,0,0]=3 451 B5R0.3 CCC(C)CO M106456 [2,0,0,0,0,0|1,0,1]=4 452 B5R0.3 CCC(C)CO M106654 [2,0,0,0,0,0|1,0,1]=4 453 B5R0.3 CCC(C=C)O P160532 [2,0,0,0,0,0|2,0,0]=4 454 B5R0.3 CCC(CC)N A133949 [2,0,0,0,0,0|1,0,1]=4 455 B5R0.3 CCC(CO)N A106025 [2,0,0,0,0,0|0,0,1]=3 456 B5R0.3 CCC(CO)N A107264 [2,0,0,0,0,0|0,0,1]=3 457 B5R0.3 CCC(CO)N A107265 [2,0,0,0,0,0|0,0,1]=3 458 B5R0.3 CCC(CO)O B153217 [2,0,0,0,0,0|1,0,1]=4 459 B5R0.3 CCC(CO)O B300651 [2,0,0,0,0,0|1,0,1]=4 460 B5R0.3 CCC(CO)O R160952 [2,0,0,0,0,0|1,0,1]=4 461 B5R0.3 CCC(CO)O S161003 [2,0,0,0,0,0|1,0,1]=4 462 B5R0.5 B(C(C)C)(O)O I120299 [2,0,0,0,0,0|2,0,0]=4 463 B5R0.5 C(=O)(C(=O)O)N O138881 [2,0,0,0,0,0|1,0,1]=4 464 B5R0.5 C(C(=O)O)(Br)Br D304215 [2,0,0,0,0,0|2,0,0]=4 465 B5R0.5 C(C(=O)O)(Cl)Br B338271 [2,0,0,0,0,0|2,0,0]=4 466 B5R0.5 C(C(=O)O)(Cl)Br K304415 [2,0,0,0,0,0|2,0,0]=4 467 B5R0.5 C(C(=O)O)(Cl)Cl D104244 [2,0,0,0,0,0|2,0,0]=4 468 B5R0.5 C(C(=O)O)(Cl)Cl D305467 [2,0,0,0,0,0|2,0,0]=4 469 B5R0.5 C(C(=O)O)(Cl)Cl D472033 [2,0,0,0,0,0|2,0,0]=4 470 B5R0.5 C(C(=O)O)(F)F D102056 [2,0,0,0,0,0|2,0,0]=4 471 B5R0.5 CC(=C)C(=O)O M102640 [2,0,0,0,0,0|1,0,1]=4 472 B5R0.5 CC(=C)C(=O)O M102641 [2,0,0,0,0,0|1,0,1]=4 473 B5R0.5 CC(=C)C(=O)O M102642 [2,0,0,0,0,0|1,0,1]=4 474 B5R0.5 CC(=C)C(=O)O M434201 [2,0,0,0,0,0|1,0,1]=4 475 B5R0.5 CC(=C)C(O)=O P477951 [2,0,0,0,0,0|1,0,1]=4 476 B5R0.5 CC(=O)C(=O)O P104136 [2,0,0,0,0,0|1,0,1]=4 477 B5R0.5 CC(=O)C(=O)O P104138 [2,0,0,0,0,0|1,0,1]=4 478 B5R0.5 CC(=O)C(=O)O P421121 [2,0,0,0,0,0|1,0,1]=4 479 B5R0.5 CC(C(=O)Br)Br B106918 [2,0,0,0,0,0|2,0,0]=4 480 B5R0.5 CC(C(=O)C)Br B195163 [2,0,0,0,0,0|2,0,0]=4 481 B5R0.5 CC(C(=O)C)Cl C136316 [2,0,0,0,0,0|2,0,0]=4 482 B5R0.5 CC(C(=O)C)N A168580 [2,0,0,0,0,0|1,0,0]=3 483 B5R0.5 CC(C(=O)C)O A109410 [2,0,0,0,0,0|2,0,0]=4 484 B5R0.5 CC(C(=O)C)O A109411 [2,0,0,0,0,0|2,0,0]=4 485 B5R0.5 CC(C(=O)C)S M102955 [2,0,0,0,0,0|2,0,0]=4 486 B5R0.5 CC(C(=O)Cl)Br B119905 [2,0,0,0,0,0|2,0,0]=4 487 B5R0.5 CC(C(=O)Cl)Cl C102420 [2,0,0,0,0,0|2,0,0]=4 488 B5R0.5 CC(C(=O)Cl)Cl C401784 [2,0,0,0,0,0|2,0,0]=4 489 B5R0.5 CC(C(=O)N)Br B474352 [2,0,0,0,0,0|1,0,1]=4 490 B5R0.5 CC(C(=O)N)Cl C169221 [2,0,0,0,0,0|1,0,1]=4 491 B5R0.5 CC(C(=O)N)N A117207 [2,0,0,0,0,0|1,0,0]=3 492 B5R0.5 CC(C(=O)N)N H589984 [2,0,0,0,0,0|1,0,0]=3 493 B5R0.5 CC(C(=O)N)N R192946 [2,0,0,0,0,0|1,0,0]=3 494 B5R0.5 CC(C(=O)N)O R139052 [2,0,0,0,0,0|1,0,1]=4 495 B5R0.5 CC(C(=O)N)O S469819 [2,0,0,0,0,0|1,0,1]=4 496 B5R0.5 CC(C(=O)O)Br B106080 [2,0,0,0,0,0|1,0,0]=3 497 B5R0.5 CC(C(=O)O)Br B106920 [2,0,0,0,0,0|1,0,0]=3 498 B5R0.5 CC(C(=O)O)Br R160937 [2,0,0,0,0,0|1,0,0]=3 499 B5R0.5 CC(C(=O)O)Cl C106527 [2,0,0,0,0,0|1,0,0]=3 500 B5R0.5 CC(C(=O)O)Cl C109467 [2,0,0,0,0,0|1,0,0]=3 501 B5R0.5 CC(C(=O)O)Cl C140796 [2,0,0,0,0,0|1,0,0]=3 502 B5R0.5 CC(C(=O)O)Cl R160939 [2,0,0,0,0,0|1,0,0]=3 503 B5R0.5 CC(C(=O)O)F F469437 [2,0,0,0,0,0|1,0,0]=3 504 B5R0.5 CC(C(=O)O)N A100051 [2,0,0,0,0,0|0,0,0]=2 505 B5R0.5 CC(C(=O)O)N A108263 [2,0,0,0,0,0|0,0,0]=2 506 B5R0.5 CC(C(=O)O)N A109095 [2,0,0,0,0,0|0,0,0]=2 507 B5R0.5 CC(C(=O)O)N A117757 [2,0,0,0,0,0|0,0,0]=2 508 B5R0.5 CC(C(=O)O)N A117758 [2,0,0,0,0,0|0,0,0]=2 509 B5R0.5 CC(C(=O)O)N A118860 [2,0,0,0,0,0|0,0,0]=2 510 B5R0.5 CC(C(=O)O)N D423466 [2,0,0,0,0,0|0,0,0]=2 511 B5R0.5 CC(C(=O)O)N D472023 [2,0,0,0,0,0|0,0,0]=2 512 B5R0.5 CC(C(=O)O)N D474151 [2,0,0,0,0,0|0,0,0]=2 513 B5R0.5 CC(C(=O)O)N L424776 [2,0,0,0,0,0|0,0,0]=2 514 B5R0.5 CC(C(=O)O)N S432937 [2,0,0,0,0,0|0,0,0]=2 515 B5R0.5 CC(C(=O)O)O L107595 [2,0,0,0,0,0|1,0,0]=3 516 B5R0.5 CC(C(=O)O)O L107596 [2,0,0,0,0,0|1,0,0]=3 517 B5R0.5 CC(C(=O)O)O L108839 [2,0,0,0,0,0|1,0,0]=3 518 B5R0.5 CC(C(=O)O)O L108841 [2,0,0,0,0,0|1,0,0]=3 519 B5R0.5 CC(C(=O)O)O L122089 [2,0,0,0,0,0|1,0,0]=3 520 B5R0.5 CC(C(=O)O)O L122090 [2,0,0,0,0,0|1,0,0]=3 521 B5R0.5 CC(C(=O)O)O L291729 [2,0,0,0,0,0|1,0,0]=3 522 B5R0.5 CC(C(=O)O)O L291730 [2,0,0,0,0,0|1,0,0]=3 523 B5R0.5 CC(C(=O)O)O L291731 [2,0,0,0,0,0|1,0,0]=3 524 B5R0.5 CC(C(=O)O)O L291732 [2,0,0,0,0,0|1,0,0]=3 525 B5R0.5 CC(C(=O)O)O L425989 [2,0,0,0,0,0|1,0,0]=3 526 B5R0.5 CC(C(=O)O)O P169115 [2,0,0,0,0,0|1,0,0]=3 527 B5R0.5 CC(C(=O)O)O S161106 [2,0,0,0,0,0|1,0,0]=3 528 B5R0.5 CC(C(=O)O)S T162374 [2,0,0,0,0,0|1,0,0]=3 529 B5R0.5 CC(C(=O)[O-])O A303861 [2,0,0,0,0,0|1,0,1]=4 530 B5R0.5 CC(C(=O)[O-])O C110506 [2,0,0,0,0,0|1,0,1]=4 531 B5R0.5 CC(C(=O)[O-])O C304709 [2,0,0,0,0,0|1,0,1]=4 532 B5R0.5 CC(C(=O)[O-])O D304649 [2,0,0,0,0,0|1,0,1]=4 533 B5R0.5 CC(C(=O)[O-])O I350723 [2,0,0,0,0,0|1,0,1]=4 534 B5R0.5 CC(C(=O)[O-])O L104219 [2,0,0,0,0,0|1,0,1]=4 535 B5R0.5 CC(C(=O)[O-])O L133140 [2,0,0,0,0,0|1,0,1]=4 536 B5R0.5 CC(C(=O)[O-])O M305218 [2,0,0,0,0,0|1,0,1]=4 537 B5R0.5 CC(C(=O)[O-])O P113770 [2,0,0,0,0,0|1,0,1]=4 538 B5R0.5 CC(C(=O)[O-])O P305067 [2,0,0,0,0,0|1,0,1]=4 539 B5R0.5 CC(C(=O)[O-])O S108837 [2,0,0,0,0,0|1,0,1]=4 540 B5R0.5 CC(C(=O)[O-])O S108838 [2,0,0,0,0,0|1,0,1]=4 541 B5R0.5 CC(C(=O)[O-])O S301759 [2,0,0,0,0,0|1,0,1]=4 542 B5R0.5 CC(C(=O)[O-])O S302327 [2,0,0,0,0,0|1,0,1]=4 543 B5R0.5 CC(C(=O)[O-])O S334655 [2,0,0,0,0,0|1,0,1]=4 544 B5R0.5 CC(C(=O)[O-])O S426464 [2,0,0,0,0,0|1,0,1]=4 545 B5R0.5 CC(C(=O)[O-])O S465689 [2,0,0,0,0,0|1,0,1]=4 546 B5R0.5 CC(C(C)O)O B103428 [2,0,0,0,0,0|2,0,0]=4 547 B5R0.5 CC(C(C)O)O B424414 [2,0,0,0,0,0|2,0,0]=4 548 B5R0.5 CC(C(C)O)O R135716 [2,0,0,0,0,0|2,0,0]=4 549 B5R0.5 CC(C(C)O)O R422817 [2,0,0,0,0,0|2,0,0]=4 550 B5R0.5 CC(C(C)O)O R470710 [2,0,0,0,0,0|2,0,0]=4 551 B5R0.5 CC(C(C)O)O S160997 [2,0,0,0,0,0|2,0,0]=4 552 B5R0.5 CC(C(C)S)O M102962 [2,0,0,0,0,0|2,0,0]=4 553 B5R0.5 CC(C(C)S)O M158761 [2,0,0,0,0,0|2,0,0]=4 554 B5R0.5 CC(C)C(=C)C D101515 [2,0,0,0,0,0|1,0,1]=4 555 B5R0.5 CC(C)C(=N)N I335550 [2,0,0,0,0,0|1,0,1]=4 556 B5R0.5 CC(C)C(=O)C M103677 [2,0,0,0,0,0|1,0,1]=4 557 B5R0.5 CC(C)C(=O)C M103678 [2,0,0,0,0,0|1,0,1]=4 558 B5R0.5 CC(C)C(=O)Cl I107549 [2,0,0,0,0,0|1,0,1]=4 559 B5R0.5 CC(C)C(=O)N I157612 [2,0,0,0,0,0|0,0,1]=3 560 B5R0.5 CC(C)C(=O)O I103521 [2,0,0,0,0,0|1,0,0]=3 561 B5R0.5 CC(C)C(=O)O I103522 [2,0,0,0,0,0|1,0,0]=3 562 B5R0.5 CC(C)C(=O)O I103524 [2,0,0,0,0,0|1,0,0]=3 563 B5R0.5 CC(C)C(=O)O I303334 [2,0,0,0,0,0|1,0,0]=3 564 B5R0.5 CC(C)C(=O)O I434199 [2,0,0,0,0,0|1,0,0]=3 565 B5R0.5 CC(C)C(=O)[O-] P160181 [2,0,0,0,0,0|1,0,1]=4 566 B5R0.5 CC(C)C(=S)N T140153 [2,0,0,0,0,0|0,1,1]=4 567 B5R0.5 CC(C)C(C)C D106276 [2,0,0,0,0,0|1,0,1]=4 568 B5R0.5 CC(C)C(C)C D106277 [2,0,0,0,0,0|1,0,1]=4 569 B5R0.5 CC(C)C(C)C D106278 [2,0,0,0,0,0|1,0,1]=4 570 B5R0.5 CC(C)C(C)N A100617 [2,0,0,0,0,0|0,0,1]=3 571 B5R0.5 CC(C)C(C)N D101300 [2,0,0,0,0,0|0,0,1]=3 572 B5R0.5 CC(C)C(C)O M158745 [2,0,0,0,0,0|1,0,0]=3 573 B5R0.5 CC(C)C(C)S M103138 [2,0,0,0,0,0|1,0,1]=4 574 B5R0.5 CC(C)[N+](=O)[O-] N107506 [2,0,0,0,0,0|2,0,0]=4 575 B5R0.5 CN(C)C(=O)N D155381 [2,0,0,0,0,0|1,0,1]=4 576 B7R0.2 C(C(CN)O)C(=O)O S469570 [1,1,0,0,0,0|1,0,0]=3 577 B7R0.2 C(C(CO)N)C(=O)O H353181 [1,1,0,0,0,0|1,0,0]=3 578 B7R0.2 C(C(CO)N)C(=O)O S191379 [1,1,0,0,0,0|1,0,0]=3 579 B7R0.2 CC(=CC(=O)OC)C M102001 [1,1,0,0,0,0|0,0,2]=4 580 B7R0.2 CC(=O)CC(=O)OC M108598 [1,1,0,0,0,0|1,0,1]=4 581 B7R0.2 CC(=O)CC(=O)OC M108599 [1,1,0,0,0,0|1,0,1]=4 582 B7R0.2 CC(=O)CC(=O)OC M108601 [1,1,0,0,0,0|1,0,1]=4 583 B7R0.2 CC(C)CC(=NO)C M302141 [1,1,0,0,0,0|1,0,0]=3 584 B7R0.2 CC(C)CC(=O)OC M157988 [1,1,0,0,0,0|0,0,0]=2 585 B7R0.2 CC(C)CC(C#C)O M157950 [1,1,0,0,0,0|1,0,1]=4 586 B7R0.2 CC(C)CC(CO)N L117136 [1,1,0,0,0,0|1,0,1]=4 587 B7R0.2 CC(C)CC(CO)N S133878 [1,1,0,0,0,0|1,0,1]=4 588 B7R0.2 CC(C)NC(=O)C=C I106818 [1,1,0,0,0,0|2,0,0]=4 589 B7R0.2 CC(C)NC(=O)C=C P303215 [1,1,0,0,0,0|2,0,0]=4 590 B7R0.2 CC(C)NC(=O)C=C P432408 [1,1,0,0,0,0|2,0,0]=4 591 B7R0.2 CC(C)NC(=O)CBr B194928 [1,1,0,0,0,0|2,0,0]=4 592 B7R0.2 CC(C)OC(=O)C=C I589892 [1,1,0,0,0,0|2,0,0]=4 593 B7R0.2 CC(C)OC(=O)CCl I157694 [1,1,0,0,0,0|2,0,0]=4 594 B7R0.2 CC(CC(=O)OC)N R190811 [1,1,0,0,0,0|1,0,0]=3 595 B7R0.2 CC(CC(=O)OC)N S587134 [1,1,0,0,0,0|1,0,0]=3 596 B7R0.2 CC(CC(=O)OC)O H124084 [1,1,0,0,0,0|1,0,0]=3 597 B7R0.2 CC(CC(=O)OC)O H124101 [1,1,0,0,0,0|1,0,0]=3 598 B7R0.2 CCC(=O)CC(C)C E156458 [1,1,0,0,0,0|1,0,0]=3 599 B7R0.2 CCC(=O)OC(C)C I157496 [1,1,0,0,0,0|2,0,0]=4 600 B7R0.2 CCC(C)CC(=O)O M109883 [1,1,0,0,0,0|0,0,0]=2 601 B7R0.2 CCC(C)OC(=O)C B108576 [1,1,0,0,0,0|2,0,0]=4 602 B7R0.2 CCC(C)OC(=O)C B108578 [1,1,0,0,0,0|2,0,0]=4 603 B7R0.2 CCC(C)OC(=O)Cl S189048 [1,1,0,0,0,0|2,0,0]=4 604 B7R0.2 CCC(CC(=O)O)N A191758 [1,1,0,0,0,0|1,0,0]=3 605 B7R0.2 CCC(CC(=O)O)N I167296 [1,1,0,0,0,0|1,0,0]=3 606 B7R0.2 CN(C)CC(=O)OC N304465 [1,1,0,0,0,0|1,0,0]=3 607 B7R0.2 COC(=O)CC(=O)O M132669 [1,1,0,0,0,0|1,0,1]=4 608 B7R0.9 B(CC(C)(C)C)(O)O N290783 [1,1,0,0,0,0|1,0,1]=4 609 B7R0.9 C(C(=O)O)C(F)(F)F T162557 [1,1,0,0,0,0|2,0,0]=4 610 B7R0.9 CC(=C)CC(C)(C)C D106367 [1,1,0,0,0,0|2,0,0]=4 611 B7R0.9 CC(=C)CC(C)(C)C D106368 [1,1,0,0,0,0|2,0,0]=4 612 B7R0.9 CC(=O)CC(C)(C)C D171111 [1,1,0,0,0,0|1,0,0]=3 613 B7R0.9 CC(=O)CC(C)(C)N D466889 [1,1,0,0,0,0|1,0,0]=3 614 B7R0.9 CC(=O)CC(C)(C)O D103435 [1,1,0,0,0,0|1,0,0]=3 615 B7R0.9 CC(=O)CC(C)(C)O D103436 [1,1,0,0,0,0|1,0,0]=3 616 B7R0.9 CC(=O)CC(C)(C)O D103437 [1,1,0,0,0,0|1,0,0]=3 617 B7R0.9 CC(=O)CC(C)(C)O D409502 [1,1,0,0,0,0|1,0,0]=3 618 B7R0.9 CC(=O)CC(C)(C)S M102896 [1,1,0,0,0,0|1,0,0]=3 619 B7R0.9 CC(=O)OC(C)(C)C B110958 [1,1,0,0,0,0|2,0,0]=4 620 B7R0.9 CC(C)(C)CC(=O)Cl D115363 [1,1,0,0,0,0|1,0,0]=3 621 B7R0.9 CC(C)(C)CC(=O)O D128107 [1,1,0,0,0,0|0,0,0]=2 622 B7R0.9 CC(C)(C)OC(=O)N B107136 [1,1,0,0,0,0|2,0,0]=4 623 B7R0.9 CC(C)(CC(=O)O)O B152666 [1,1,0,0,0,0|0,0,0]=2 624 B7R0.9 CC(C)(CC(=O)[O-])O C154024 [1,1,0,0,0,0|0,0,1]=3 625 B7R0.9 CC(C)CS(=O)(=O)Cl I169853 [1,1,0,0,0,0|1,0,1]=4 626 B7R0.9 CC(CC(C)(C)C)O D346243 [1,1,0,0,0,0|1,0,1]=4 627 B7R0.9 CC(CC(C)(C)O)O M108565 [1,1,0,0,0,0|1,0,1]=4 628 B7R0.9 CC(CC(C)(C)O)O M420527 [1,1,0,0,0,0|1,0,1]=4 629 B7R0.9 CS(=O)(=O)CC(=O)O M336540 [1,1,0,0,0,0|2,0,0]=4 630 B7R0.9 C[N+](C)(C)CC(=O)O B106221 [1,1,0,0,0,0|1,0,0]=3 631 B7R0.9 C[N+](C)(C)CC(=O)O B113358 [1,1,0,0,0,0|1,0,0]=3 632 B7R0.9 C[N+](C)(C)CC(=O)[O-] B105554 [1,1,0,0,0,0|1,0,1]=4 633 B7R0.9 C[N+](C)(C)CC(=O)[O-] B105555 [1,1,0,0,0,0|1,0,1]=4 634 B7R0.9 C[N+](C)(C)CC(=O)[O-] B105556 [1,1,0,0,0,0|1,0,1]=4 635 B7R0.9 C[N+](C)(C)CC(=O)[O-] B420528 [1,1,0,0,0,0|1,0,1]=4 636 B7R0.9 C[Si](C)(C)CC(=O)O T114555 [1,1,0,0,0,0|0,1,0]=3 637 B7R0.5 C#CCC(C(=O)O)N D133969 [1,1,0,0,0,0|0,0,1]=3 638 B7R0.5 C#CCC(C(=O)O)N R192202 [1,1,0,0,0,0|0,0,1]=3 639 B7R0.5 C#CCC(C(=O)O)N R304808 [1,1,0,0,0,0|0,0,1]=3 640 B7R0.5 C#CCC(C(=O)O)N S168837 [1,1,0,0,0,0|0,0,1]=3 641 B7R0.5 C(CBr)C(C(=O)O)N A101191 [1,1,0,0,0,0|0,0,0]=2 642 B7R0.5 C(CN)C(C(=O)O)N D102446 [1,1,0,0,0,0|0,0,0]=2 643 B7R0.5 C(CN)C(C(=O)O)N D113499 [1,1,0,0,0,0|0,0,0]=2 644 B7R0.5 C(CN)C(C(=O)O)N D117019 [1,1,0,0,0,0|0,0,0]=2 645 B7R0.5 C(CN)C(C(=O)O)O H181248 [1,1,0,0,0,0|1,0,0]=3 646 B7R0.5 C(CN)C(C(=O)O)O S161042 [1,1,0,0,0,0|1,0,0]=3 647 B7R0.5 C(CO)C(C(=O)O)N H100541 [1,1,0,0,0,0|0,0,0]=2 648 B7R0.5 C(CO)C(C(=O)O)N H101557 [1,1,0,0,0,0|0,0,0]=2 649 B7R0.5 C(CO)C(C(=O)O)N H105430 [1,1,0,0,0,0|0,0,0]=2 650 B7R0.5 C(CO)C(C(=O)O)N L425384 [1,1,0,0,0,0|0,0,0]=2 651 B7R0.5 C(CS)C(C(=O)O)N H106297 [1,1,0,0,0,0|0,0,0]=2 652 B7R0.5 C(CS)C(C(=O)O)N L134501 [1,1,0,0,0,0|0,0,0]=2 653 B7R0.5 C=CCC(C(=O)O)N A115225 [1,1,0,0,0,0|0,0,1]=3 654 B7R0.5 C=CCC(C(=O)O)N D101189 [1,1,0,0,0,0|0,0,1]=3 655 B7R0.5 C=CCC(C(=O)O)N D107871 [1,1,0,0,0,0|0,0,1]=3 656 B7R0.5 C=CCC(C(=O)O)N S101123 [1,1,0,0,0,0|0,0,1]=3 657 B7R0.5 C=CCC(C(=O)O)N S161223 [1,1,0,0,0,0|0,0,1]=3 658 B7R0.5 CC(C)C(CCO)N A348373 [1,1,0,0,0,0|0,0,1]=3 659 B7R0.5 CC(CC=C)C(=O)O M111848 [1,1,0,0,0,0|1,0,1]=4 660 B7R0.5 CCC=C(C)C(=O)O M102542 [1,1,0,0,0,0|1,0,1]=4 661 B7R0.5 CCC=C(C)C(=O)O M107371 [1,1,0,0,0,0|1,0,1]=4 662 B7R0.5 CCCC(=O)C(=O)O O159954 [1,1,0,0,0,0|1,0,1]=4 663 B7R0.5 CCCC(C(=O)O)Br B152768 [1,1,0,0,0,0|1,0,0]=3 664 B7R0.5 CCCC(C(=O)O)N N100542 [1,1,0,0,0,0|0,0,0]=2 665 B7R0.5 CCCC(C(=O)O)N N106191 [1,1,0,0,0,0|0,0,0]=2 666 B7R0.5 CCCC(C(=O)O)N N106215 [1,1,0,0,0,0|0,0,0]=2 667 B7R0.5 CCCC(C(=O)O)O S193305 [1,1,0,0,0,0|1,0,0]=3 668 B7R0.5 CCCC(C(=O)[O-])O B301319 [1,1,0,0,0,0|1,0,1]=4 669 B7R0.5 CCCC(C)C(=O)C M158798 [1,1,0,0,0,0|2,0,0]=4 670 B7R0.5 CCCC(C)C(=O)O B300596 [1,1,0,0,0,0|1,0,0]=3 671 B7R0.5 CCCC(C)C(=O)O M117868 [1,1,0,0,0,0|1,0,0]=3 672 B7R0.5 CCCC(C)C(=O)O M427193 [1,1,0,0,0,0|1,0,0]=3 673 B7R0.5 CCSC(C)C(=O)O E168418 [1,1,0,0,0,0|1,0,0]=3 674 B7R0.5 CNCC(C(=O)O)N S132658 [1,1,0,0,0,0|0,0,0]=2 675 B7R0.5 COCC(C(=O)O)Cl C133763 [1,1,0,0,0,0|1,0,0]=3 676 B7R0.5 COCC(C(=O)O)N S135785 [1,1,0,0,0,0|0,0,0]=2 677 B7R0.5 CSCC(C(=O)O)N M116973 [1,1,0,0,0,0|0,0,0]=2 678 B7R0.5 C[Se]CC(C(=O)O)N S161277 [1,1,0,0,0,0|0,0,0]=2 679 B7R0.10 C(C(C(C=O)O)O)O E120857 [1,1,0,0,0,0|2,0,0]=4 680 B7R0.10 CC(C(=O)OC)NC S587983 [1,1,0,0,0,0|2,0,0]=4 681 B7R0.10 CC(CBr)C(=O)OC M158847 [1,1,0,0,0,0|2,0,0]=4 682 B7R0.10 CC(CBr)C(=O)OC M409449 [1,1,0,0,0,0|2,0,0]=4 683 B7R0.10 CC(CO)C(=O)OC M589106 [1,1,0,0,0,0|2,0,0]=4 684 B7R0.10 CC(CO)C(=O)OC R136025 [1,1,0,0,0,0|2,0,0]=4 685 B7R0.10 CC(CO)C(=O)OC S133601 [1,1,0,0,0,0|2,0,0]=4 686 B7R0.10 CCC(C(=O)CC)O P121219 [1,1,0,0,0,0|2,0,0]=4 687 B7R0.10 CCC(C(=O)OC)Br M110203 [1,1,0,0,0,0|1,0,0]=3 688 B7R0.10 CCC(C(=O)OC)N D134538 [1,1,0,0,0,0|0,0,0]=2 689 B7R0.10 CCC(C(=O)OC)N S304011 [1,1,0,0,0,0|0,0,0]=2 690 B7R0.10 CCC(C(=O)OC)O M588620 [1,1,0,0,0,0|1,0,0]=3 691 B7R0.10 CCC(C(=O)OC)O M590030 [1,1,0,0,0,0|1,0,0]=3 692 B7R0.10 CCC(C(=O)OC)O R590029 [1,1,0,0,0,0|1,0,0]=3 693 B7R0.10 CCC(C)C(=O)OC M157989 [1,1,0,0,0,0|1,0,0]=3 694 B7R0.10 CCC(C)C(CO)N I117134 [1,1,0,0,0,0|0,0,1]=3 695 B7R0.10 COC(=O)C(CBr)Br M167887 [1,1,0,0,0,0|2,0,0]=4 696 B7R0.10 COC(=O)C(CCl)Cl M121841 [1,1,0,0,0,0|2,0,0]=4 697 B7R0.10 COC(=O)C(CCl)N M588771 [1,1,0,0,0,0|1,0,0]=3 698 B7R0.10 COC(=O)C(CCl)N S134256 [1,1,0,0,0,0|1,0,0]=3 699 B7R0.10 COC(=O)C(CO)N S101064 [1,1,0,0,0,0|1,0,0]=3 700 B7R0.10 COC(=O)C(CO)N S109008 [1,1,0,0,0,0|1,0,0]=3 701 B7R0.10 COC(=O)C(CO)N S117181 [1,1,0,0,0,0|1,0,0]=3 702 B7R0.10 COC(=O)C(CO)O R587787 [1,1,0,0,0,0|2,0,0]=4 703 B7R0.10 COC(=O)C(CO)O S178884 [1,1,0,0,0,0|2,0,0]=4 704 B7R0.10 COC(=O)C(CS)N C105474 [1,1,0,0,0,0|1,0,0]=3 705 B7R0.10 COC(=O)C(CS)N S133993 [1,1,0,0,0,0|1,0,0]=3 706 B7R0.13 CC(C)(C(=O)O)NC M464376 [1,1,0,0,0,0|2,0,0]=4 707 B7R0.13 CC(C)(CCl)C(=O)O C153460 [1,1,0,0,0,0|2,0,0]=4 708 B7R0.13 CC(C)(CF)C(=O)O F194366 [1,1,0,0,0,0|2,0,0]=4 709 B7R0.13 CC(C)(CO)C(=O)O H138895 [1,1,0,0,0,0|2,0,0]=4 710 B7R0.13 CC(CBr)(C(=O)O)O R160936 [1,1,0,0,0,0|2,0,0]=4 711 B7R0.13 CC(CO)(C(=O)O)N A118304 [1,1,0,0,0,0|1,0,0]=3 712 B7R0.13 CCC(C(=O)O)(F)F D168890 [1,1,0,0,0,0|1,0,0]=3 713 B7R0.13 CCC(C)(C(=O)O)N H353441 [1,1,0,0,0,0|0,0,0]=2 714 B7R0.13 CCC(C)(C(=O)O)N I118303 [1,1,0,0,0,0|0,0,0]=2 715 B7R0.13 CCC(C)(C(=O)O)O H133323 [1,1,0,0,0,0|1,0,0]=3 716 B7R0.13 CCC(C)(C)C(=O)Cl D128094 [1,1,0,0,0,0|2,0,0]=4 717 B7R0.13 CCC(C)(C)C(=O)O D102023 [1,1,0,0,0,0|1,0,0]=3 718 B7R0.14 CC(C)(C)C(CO)N I132198 [1,1,0,0,0,0|0,0,1]=3 719 B7R0.14 CC(C)(C)C(CO)N S160987 [1,1,0,0,0,0|0,0,1]=3 720 B7R0.15 C(C(CBr)C(=O)O)Br B136320 [1,1,0,0,0,0|2,0,0]=4 721 B7R0.15 C(C(CO)C(=O)O)N I166551 [1,1,0,0,0,0|1,0,0]=3 722 B7R0.15 CCC(CC)C(=O)Cl E469016 [1,1,0,0,0,0|2,0,0]=4 723 B7R0.15 CCC(CC)C(=O)O E105668 [1,1,0,0,0,0|1,0,0]=3 724 B7R0.15 CCC(CC)C(=O)O E105669 [1,1,0,0,0,0|1,0,0]=3 725 B9R0.10 CC(C)(C)C(CC(=O)O)N B301216 [0,1,0,0,0,1|0,0,0]=2 726 B9R0.11 CC(C)CC(C)(C(=O)O)N H352866 [0,1,0,0,0,1|0,0,0]=2 727 B9R0.23 CC(C)CC(C(=O)OC)N L109004 [0,1,0,0,0,1|0,0,0]=2 728 B9R0.23 CC(C)CC(C(=O)OC)N L113357 [0,1,0,0,0,1|0,0,0]=2 729 B9R0.23 CCC(C)C(CC(=O)O)N H117051 [0,1,0,0,0,1|0,0,0]=2 730 B9R0.23 COC(=O)C(CC(=O)O)N A116967 [0,1,0,0,0,1|1,0,1]=4 731 B9R0.23 COC(=O)C(CC(=O)O)N D351608 [0,1,0,0,0,1|1,0,1]=4 732 B9R0.23 COC(=O)C(CC(=O)O)N H185839 [0,1,0,0,0,1|1,0,1]=4 733 B9R0.39 CC(C)CC(C(=O)O)NC B300148 [0,1,0,0,0,1|0,0,0]=2 734 B9R0.39 CC(C)CC(C(=O)O)NC D303245 [0,1,0,0,0,1|0,0,0]=2 735 B9R0.39 CC(C)CC(C(=O)O)NC N137172 [0,1,0,0,0,1|0,0,0]=2 736 B9R0.39 CC(C)CC(C(=O)O)NC N185919 [0,1,0,0,0,1|0,0,0]=2 737 B9R0.42 CC(C)C(=O)CC(=O)OC M106811 [0,1,0,0,0,1|1,0,1]=4 738 B9R0.42 COC(=O)CC(C(=O)O)N A100440 [0,1,0,0,0,1|1,0,1]=4 739 B9R0.42 COC(=O)CC(C(=O)O)N L591069 [0,1,0,0,0,1|1,0,1]=4 740 B9R0.57 C(C(C(=O)O)N)C(F)(F)F A151473 [0,1,0,0,0,1|2,0,0]=4 741 B9R0.57 CC(C)(C)CC(C(=O)O)N H187615 [0,1,0,0,0,1|0,0,0]=2 742 B9R0.57 CC(C)(C)CC(C(=O)O)N S136939 [0,1,0,0,0,1|0,0,0]=2 743 B9R0.57 CC(C)(C)NC(=O)C(=O)O t167838 [0,1,0,0,0,1|1,0,1]=4 744 B9R0.79 CC(C(C)O)C(C(=O)O)N H102974 [0,1,0,0,0,1|1,0,0]=3 745 B9R0.79 CC(C(C)O)C(C(=O)O)N H134438 [0,1,0,0,0,1|1,0,0]=3 746 B9R0.79 CC(C)C(C(C(=O)O)N)O A114504 [0,1,0,0,0,1|0,0,0]=2 747 B9R0.6 CCOC(=O)C(=O)C(C)C E302716 [0,2,0,0,0,0|1,0,1]=4 748 B9R0.6 CCOC(=O)C(C(C)Br)Br E156140 [0,2,0,0,0,0|2,0,0]=4 749 B9R0.6 CCOC(=O)C(C(C)C)Br E156152 [0,2,0,0,0,0|1,0,0]=3 750 B9R0.6 CCOC(=O)C(C(C)C)N V117195 [0,2,0,0,0,0|0,0,0]=2 751 B9R0.25 CC(C)(C)C(C(=O)NC)N L354316 [0,2,0,0,0,0|1,0,0]=3 752 B9R0.25 CC(C)(C)C(C(=O)OC)N L124562 [0,2,0,0,0,0|0,0,0]=2 753 B9R0.25 CC(C)(C)C(C(=O)OC)N S161274 [0,2,0,0,0,0|0,0,0]=2 754 B9R0.25 CC(C)(C)C(C(=O)OC)O M586608 [0,2,0,0,0,0|1,0,0]=3 755 B9R0.25 COC(=O)C(C(F)(F)F)N M587017 [0,2,0,0,0,0|2,0,0]=4 756 B9R0.27 C(C(C(C(=O)CO)O)O)O D333689 [0,2,0,0,0,0|2,0,0]=4 757 B9R0.27 CCC(C)C(C(=O)OC)N I109005 [0,2,0,0,0,0|0,0,0]=2 758 B9R0.27 CCC(C)C(C(=O)OC)N M169087 [0,2,0,0,0,0|0,0,0]=2 759 B9R0.27 COC(=O)C(C(=O)OC)N D470413 [0,2,0,0,0,0|1,0,1]=4 760 B9R0.29 CCC(C)C(C(=O)O)NC I133843 [0,2,0,0,0,0|0,0,0]=2 761 B9R0.33 CC(C)C(C(=O)O)NC=O N303707 [0,2,0,0,0,0|0,0,0]=2 762 B9R0.54 CC(C)C(C(=O)O)N(C)C N303321 [0,2,0,0,0,0|0,0,0]=2 763 B7R1.2 C1C(=O)COC1=O T101326 [1,0,0,1,0,0|1,0,1]=4 764 B7R1.2 C1C(CNC1=O)N A587603 [1,0,0,1,0,0|2,0,0]=4 765 B7R1.2 C1C(CNC1=O)O H119311 [1,0,0,1,0,0|2,0,0]=4 766 B7R1.2 C1C(CNC1=O)O H119312 [1,0,0,1,0,0|2,0,0]=4 767 B7R1.2 C1C(CNC1=O)O H183207 [1,0,0,1,0,0|2,0,0]=4 768 B7R1.2 C1C(COC1=O)N R189910 [1,0,0,1,0,0|1,0,0]=3 769 B7R1.2 C1C(COC1=O)N S189909 [1,0,0,1,0,0|1,0,0]=3 770 B7R1.2 C1C(COC1=O)O H107941 [1,0,0,1,0,0|1,0,0]=3 771 B7R1.2 C1C(OC(=O)O1)Cl C154009 [1,0,0,1,0,0|2,0,0]=4 772 B7R1.2 C1C(OC(=O)O1)Cl C298772 [1,0,0,1,0,0|2,0,0]=4 773 B7R1.2 C1C(OC(=O)O1)F F120339 [1,0,0,1,0,0|2,0,0]=4 774 B7R1.2 CC1=CC(=O)OC1 M158202 [1,0,0,1,0,0|0,0,2]=4 775 B7R1.2 CC1CCC(=O)C1 M113659 [1,0,0,1,0,0|1,0,0]=3 776 B7R1.2 CC1CCC(=O)N1 M158429 [1,0,0,1,0,0|2,0,0]=4 777 B7R1.2 CC1CCC(=O)O1 V106294 [1,0,0,1,0,0|2,0,0]=4 778 B7R1.2 CC1CCC(C1)O M351118 [1,0,0,1,0,0|1,0,1]=4 779 B7R1.2 CC1COC(=O)O1 P105723 [1,0,0,1,0,0|1,0,0]=3 780 B7R1.2 CC1COC(=O)O1 P105724 [1,0,0,1,0,0|1,0,0]=3 781 B7R1.2 CC1COC(=O)O1 P105725 [1,0,0,1,0,0|1,0,0]=3 782 B7R1.2 CC1COC(=O)O1 P105726 [1,0,0,1,0,0|1,0,0]=3 783 B7R1.2 CC1COC(=O)O1 P122960 [1,0,0,1,0,0|1,0,0]=3 784 B7R1.2 CC1COC(=O)O1 S135940 [1,0,0,1,0,0|1,0,0]=3 785 B7R1.2 CC1COS(=O)O1 M120340 [1,0,0,1,0,0|2,0,0]=4 786 B7R1.2 CN1CCC(=O)C1 M343187 [1,0,0,1,0,0|2,0,0]=4 787 B7R1.12 C1C(C1F)C(=O)O F191156 [1,0,0,1,0,0|1,0,0]=3 788 B7R1.12 C1C(C1F)C(=O)O R586886 [1,0,0,1,0,0|1,0,0]=3 789 B7R1.12 C1C(C1F)C(=O)O R587591 [1,0,0,1,0,0|1,0,0]=3 790 B7R1.12 C1C(C1F)C(=O)O S587590 [1,0,0,1,0,0|1,0,0]=3 791 B7R1.12 CC1CC1C(=O)O M169350 [1,0,0,1,0,0|0,0,0]=2 792 B7R1.20 C1CC1CC(=O)O C134997 [1,0,0,1,0,0|0,0,0]=2 793 B7R1.4 C1C(C(=O)NO1)N C108718 [1,0,0,1,0,0|2,0,0]=4 794 B7R1.4 C1C(C(=O)NO1)N D136996 [1,0,0,1,0,0|2,0,0]=4 795 B7R1.4 C1C(C(=O)NO1)N D425443 [1,0,0,1,0,0|2,0,0]=4 796 B7R1.4 C1C(C(=O)NO1)N L423473 [1,0,0,1,0,0|2,0,0]=4 797 B7R1.4 C1C(C(=O)NO1)N S136251 [1,0,0,1,0,0|2,0,0]=4 798 B7R1.4 C1C(C(CO1)O)N A587267 [1,0,0,1,0,0|1,0,1]=4 799 B7R1.4 C1CC(C(=O)C1)Cl C103555 [1,0,0,1,0,0|2,0,0]=4 800 B7R1.4 C1CC(C(=O)C1)Cl C598656 [1,0,0,1,0,0|2,0,0]=4 801 B7R1.4 C1CC(C(C1)O)N A101741 [1,0,0,1,0,0|1,0,1]=4 802 B7R1.4 C1CC(C(C1)O)N A101751 [1,0,0,1,0,0|1,0,1]=4 803 B7R1.4 C1CC(C(C1)O)N A187867 [1,0,0,1,0,0|1,0,1]=4 804 B7R1.4 C1CC(C(C1)O)N C348612 [1,0,0,1,0,0|1,0,1]=4 805 B7R1.4 C1CC(C(C1)O)N I168764 [1,0,0,1,0,0|1,0,1]=4 806 B7R1.4 C1CC(C(C1)O)N R465237 [1,0,0,1,0,0|1,0,1]=4 807 B7R1.4 C1CNC(=O)C1O H486731 [1,0,0,1,0,0|2,0,0]=4 808 B7R1.4 C1COC(=O)C1Br B107924 [1,0,0,1,0,0|1,0,0]=3 809 B7R1.4 C1COC(=O)C1N A101211 [1,0,0,1,0,0|0,0,0]=2 810 B7R1.4 C1COC(=O)C1N I167498 [1,0,0,1,0,0|0,0,0]=2 811 B7R1.4 C1COC(=O)C1N R137962 [1,0,0,1,0,0|0,0,0]=2 812 B7R1.4 C1COC(=O)C1O H113417 [1,0,0,1,0,0|1,0,0]=3 813 B7R1.4 C1COC(=O)C1O R591020 [1,0,0,1,0,0|1,0,0]=3 814 B7R1.4 C1COC(=O)C1O S161076 [1,0,0,1,0,0|1,0,0]=3 815 B7R1.4 C1COC(=O)N1N A114272 [1,0,0,1,0,0|1,0,0]=3 816 B7R1.4 C1CSC(=O)C1N H108030 [1,0,0,1,0,0|0,1,0]=3 817 B7R1.4 C1CSC(=O)C1N S169532 [1,0,0,1,0,0|0,1,0]=3 818 B7R1.4 C=C1CCOC1=O M108009 [1,0,0,1,0,0|1,0,1]=4 819 B7R1.4 CC1CCCC1=O M138029 [1,0,0,1,0,0|2,0,0]=4 820 B7R1.4 CC1CCOC1=O A151225 [1,0,0,1,0,0|1,0,0]=3 821 B7R1.4 CN1CCOC1=O M132701 [1,0,0,1,0,0|2,0,0]=4 822 B7R1.18 C1C(CN1)C(=O)O A103105 [1,0,0,1,0,0|2,0,0]=4 823 B7R1.18 C1C(CO1)C(=O)O O166062 [1,0,0,1,0,0|2,0,0]=4 824 B7R1.18 C1CC(C1)C(=O)Cl C170618 [1,0,0,1,0,0|2,0,0]=4 825 B7R1.18 C1CC(C1)C(=O)O C120879 [1,0,0,1,0,0|1,0,0]=3 826 B7R1.18 C1CNC1C(=O)O A124088 [1,0,0,1,0,0|0,0,0]=2 827 B7R1.18 C1CNC1C(=O)O A175896 [1,0,0,1,0,0|0,0,0]=2 828 B7R1.18 C1CNC1C(=O)O R177416 [1,0,0,1,0,0|0,0,0]=2 829 B7R1.18 CC(=O)C1CCC1 A151658 [1,0,0,1,0,0|2,0,0]=4 830 B7R1.19 C1CC1(C(=O)N)N A176135 [1,0,0,1,0,0|1,0,0]=3 831 B7R1.19 C1CC1(C(=O)O)F F181343 [1,0,0,1,0,0|1,0,0]=3 832 B7R1.19 C1CC1(C(=O)O)N A101238 [1,0,0,1,0,0|0,0,0]=2 833 B7R1.19 C1CC1(C(=O)O)N A102433 [1,0,0,1,0,0|0,0,0]=2 834 B7R1.19 C1CC1(C(=O)O)N A422646 [1,0,0,1,0,0|0,0,0]=2 835 B7R1.19 CC(=O)C1(CC1)C M342570 [1,0,0,1,0,0|2,0,0]=4 836 B7R1.19 CC1(CC1)C(=O)O M158058 [1,0,0,1,0,0|1,0,0]=3 837 B7R1.22 C1CC1C(=NO)N N589318 [1,0,0,1,0,0|1,0,1]=4 838 B9R1.35 C1C(CNC1C(=O)N)F I170308 [0,0,0,1,0,1|2,0,0]=4 839 B9R1.35 C1C(CNC1C(=O)O)F S171572 [0,0,0,1,0,1|1,0,0]=3 840 B9R1.35 C1C(CNC1C(=O)O)F S183102 [0,0,0,1,0,1|1,0,0]=3 841 B9R1.35 C1C(CNC1C(=O)O)F T162045 [0,0,0,1,0,1|1,0,0]=3 842 B9R1.35 C1C(CNC1C(=O)O)O C177424 [0,0,0,1,0,1|1,0,0]=3 843 B9R1.35 C1C(CNC1C(=O)O)O C422902 [0,0,0,1,0,1|1,0,0]=3 844 B9R1.35 C1C(CNC1C(=O)O)O H110730 [0,0,0,1,0,1|1,0,0]=3 845 B9R1.35 C1C(CNC1C(=O)O)O H111005 [0,0,0,1,0,1|1,0,0]=3 846 B9R1.35 C1C(CNC1C(=O)O)O I132870 [0,0,0,1,0,1|1,0,0]=3 847 B9R1.35 C1C(CNC1C(=O)O)O I134121 [0,0,0,1,0,1|1,0,0]=3 848 B9R1.35 C1C(CNC1C(=O)O)O R174124 [0,0,0,1,0,1|1,0,0]=3 849 B9R1.35 C1C(CNC1C(=O)O)O T424412 [0,0,0,1,0,1|1,0,0]=3 850 B9R1.35 C1C(CNC1C(=O)O)O T485298 [0,0,0,1,0,1|1,0,0]=3 851 B9R1.35 C1CC(CC1C(=O)O)N A187884 [0,0,0,1,0,1|2,0,0]=4 852 B9R1.35 C1CC(CC1C(=O)O)O H586133 [0,0,0,1,0,1|2,0,0]=4 853 B9R1.35 CC(C)C1COC(=O)N1 I107588 [0,0,0,1,0,1|1,0,0]=3 854 B9R1.35 CC(C)C1COC(=O)N1 I107589 [0,0,0,1,0,1|1,0,0]=3 855 B9R1.38 CC1(C(=O)NC(=O)O1)C D137001 [0,0,0,1,0,1|1,0,1]=4 856 B9R1.38 CC1(C(=O)NC(=O)O1)C D425568 [0,0,0,1,0,1|1,0,1]=4 857 B9R1.69 CC1CCC(=O)CC1C D154364 [0,0,0,1,0,1|2,0,0]=4 858 B9R1.112 C1CC1CC(C(=O)O)N C117163 [0,0,0,1,0,1|0,0,0]=2 859 B9R1.112 C1CC1CC(C(=O)O)N C117208 [0,0,0,1,0,1|0,0,0]=2 860 B9R1.37 CC1CC(=O)C(=O)C1C D102535 [0,1,0,1,0,0|1,0,1]=4 861 B9R1.41 C1CNC(C1O)C(=O)O S176477 [0,1,0,1,0,0|1,0,0]=3 862 B9R1.41 CN1CCCC1C(=O)O M101560 [0,1,0,1,0,0|2,0,0]=4 863 B9R1.41 CN1CCCC1C(=O)O N170507 [0,1,0,1,0,0|2,0,0]=4 864 B9R1.138 CC1(COC(=O)C1=O)C D166887 [0,1,0,1,0,0|1,0,1]=4 865 B9R1.138 CC1(COC(=O)C1O)C P122332 [0,1,0,1,0,0|1,0,0]=3 866 B9R1.138 CC1(COC(=O)C1O)C S138963 [0,1,0,1,0,0|1,0,0]=3 867 B9R1.138 CC1(COC(=O)C1O)C S161101 [0,1,0,1,0,0|1,0,0]=3 868 B9R1.165 C1CC1C(C(=O)O)(F)F C587415 [0,1,0,1,0,0|1,0,0]=3 869 B9R1.165 CC(C1CC1)(C(=O)O)N C171029 [0,1,0,1,0,0|0,0,0]=2 870 B9R2.143 C1CC12CC2C(=O)O S174950 [0,0,0,2,0,0|1,0,0]=3 871 B7R0.6 CC(=O)CCC(=O)O L104281 [1,0,0,0,0,1|1,0,1]=4 872 B7R0.6 CC(=O)CCC(=O)O L278641 [1,0,0,0,0,1|1,0,1]=4 873 B7R0.6 CC(=O)CCC(=O)O L298748 [1,0,0,0,0,1|1,0,1]=4 874 B7R0.6 CC(=O)CCC(=O)O L421026 [1,0,0,0,0,1|1,0,1]=4 875 B7R0.6 CC(=O)NCC(=O)O A103973 [1,0,0,0,0,1|1,0,1]=4 876 B7R0.6 CC(=O)OCC(=O)O A167143 [1,0,0,0,0,1|1,0,1]=4 877 B7R0.6 CC(=O)SCC(=O)O S131714 [1,0,0,0,0,1|1,0,1]=4 878 B7R0.6 CC(=S)NCC(=O)O N159832 [1,0,0,0,0,1|1,0,1]=4 879 B7R0.6 CC(C)C=CC(=O)C M170732 [1,0,0,0,0,1|1,0,1]=4 880 B7R0.6 CC(C)C=CC(=O)O M158379 [1,0,0,0,0,1|0,0,1]=3 881 B7R0.6 CC(C)CC=C(C)C D155272 [1,0,0,0,0,1|2,0,0]=4 882 B7R0.6 CC(C)CCC(=C)C D155278 [1,0,0,0,0,1|2,0,0]=4 883 B7R0.6 CC(C)CCC(=O)C M106666 [1,0,0,0,0,1|1,0,0]=3 884 B7R0.6 CC(C)CCC(=O)Cl M158759 [1,0,0,0,0,1|1,0,0]=3 885 B7R0.6 CC(C)CCC(=O)O M117869 [1,0,0,0,0,1|0,0,0]=2 886 B7R0.6 CC(C)CCC(C)O M157779 [1,0,0,0,0,1|1,0,1]=4 887 B7R0.6 CC(C)COC(=O)C I110418 [1,0,0,0,0,1|1,0,0]=3 888 B7R0.6 CC(C)COC(=O)C I110419 [1,0,0,0,0,1|1,0,0]=3 889 B7R0.6 CC(C)COC(=O)Cl I105738 [1,0,0,0,0,1|1,0,0]=3 890 B7R0.6 CC(C)CO[N+](=O)[O-] I334869 [1,0,0,0,0,1|1,0,1]=4 891 B7R0.6 CC(C)NNC(=O)C N193444 [1,0,0,0,0,1|2,0,0]=4 892 B7R0.6 CC(C)OCC(C)O I404594 [1,0,0,0,0,1|1,0,1]=4 893 B7R0.6 CN(C)CCC(=O)O D132248 [1,0,0,0,0,1|1,0,0]=3 894 B7R0.6 C[S+](C)CCC(=O)O C153876 [1,0,0,0,0,1|1,0,0]=3 895 B9R0.7 CC(=O)OCC(C(=O)O)N O159915 [0,0,0,0,0,2|1,0,1]=4 896 B9R0.7 CC(=O)OCC(C(=O)O)N O303851 [0,0,0,0,0,2|1,0,1]=4 897 B9R0.7 CC(C)C(=O)NCC(=O)O I352817 [0,0,0,0,0,2|1,0,1]=4 898 B9R0.7 CS(=O)CCC(C(=O)O)N L134616 [0,0,0,0,0,2|2,0,0]=4 899 B9R0.7 CS(=O)CCC(C(=O)O)N S161195 [0,0,0,0,0,2|2,0,0]=4 900 B9R0.7 C[S+](C)CCC(C(=O)O)N L354322 [0,0,0,0,0,2|1,0,0]=3 901 B9R0.7 C[S+](C)CCC(C(=O)O)N S161187 [0,0,0,0,0,2|1,0,0]=3 902 B9R0.53 CC(C)CC(C)CC(=O)C D301469 [0,0,0,0,0,2|2,0,0]=4 903 B9R0.53 CC(C)CC(CC(=O)O)N D404546 [0,0,0,0,0,2|0,0,0]=2 904 B9R0.53 CC(C)CC(CC(=O)O)N H117054 [0,0,0,0,0,2|0,0,0]=2