0 B7R0.9 B(CC(C)(C)C)(O)O N290783 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.9 C(C(=O)O)C(F)(F)F T162557 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.9 CC(=C)CC(C)(C)C D106367 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.9 CC(=C)CC(C)(C)C D106368 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.9 CC(=C)C[Si](C)(C)C T300066 [0,0,0,0,0,0|2,1,0]=3 5 B7R0.9 CC(=C)O[Si](C)(C)C I157569 [0,0,0,0,0,0|3,1,0]=4 6 B7R0.9 CC(=CC(C)(C)C)C T161796 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.9 CC(=O)CC(C)(C)C D171111 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.9 CC(=O)CC(C)(C)N D466889 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.9 CC(=O)CC(C)(C)O D103435 [0,0,0,0,0,0|0,1,0]=1 10 B7R0.9 CC(=O)CC(C)(C)O D103436 [0,0,0,0,0,0|0,1,0]=1 11 B7R0.9 CC(=O)CC(C)(C)O D103437 [0,0,0,0,0,0|0,1,0]=1 12 B7R0.9 CC(=O)CC(C)(C)O D409502 [0,0,0,0,0,0|0,1,0]=1 13 B7R0.9 CC(=O)CC(C)(C)S M102896 [0,0,0,0,0,0|0,0,0]=0 14 B7R0.9 CC(=O)CC(F)(F)F T478863 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.9 CC(=O)CS(=O)(=O)C M349447 [0,0,0,0,0,0|2,1,0]=3 16 B7R0.9 CC(=O)N[Si](C)(C)C T113605 [0,0,0,0,0,0|2,1,0]=3 17 B7R0.9 CC(=O)OC(C)(C)C B110958 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.9 CC(=O)O[Si](C)(C)C T114036 [0,0,0,0,0,0|2,1,0]=3 19 B7R0.9 CC(C)(C)CC(=O)Cl D115363 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.9 CC(C)(C)CC(=O)O D128107 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.9 CC(C)(C)OC(=O)N B107136 [0,0,0,0,0,0|3,0,0]=3 22 B7R0.9 CC(C)(CC(=O)O)O B152666 [0,0,0,0,0,0|1,1,0]=2 23 B7R0.9 CC(C)(CC(=O)[O-])O C154024 [0,0,0,0,0,0|1,1,0]=2 24 B7R0.9 CC(C)(CN(C)C)N A483225 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.9 CC(C)CC(C)(C)C I103236 [0,0,0,0,0,0|2,0,1]=3 26 B7R0.9 CC(C)CC(C)(C)C I103237 [0,0,0,0,0,0|2,0,1]=3 27 B7R0.9 CC(C)CC(C)(C)C I103239 [0,0,0,0,0,0|2,0,1]=3 28 B7R0.9 CC(C)CC(C)(C)C I103242 [0,0,0,0,0,0|2,0,1]=3 29 B7R0.9 CC(C)CC(C)(C)C I103243 [0,0,0,0,0,0|2,0,1]=3 30 B7R0.9 CC(C)CC(C)(C)C I113065 [0,0,0,0,0,0|2,0,1]=3 31 B7R0.9 CC(C)CC(C)(C)C I302016 [0,0,0,0,0,0|2,0,1]=3 32 B7R0.9 CC(C)CC(C)(C)C I432868 [0,0,0,0,0,0|2,0,1]=3 33 B7R0.9 CC(C)CC(C)(C)C T119681 [0,0,0,0,0,0|2,0,1]=3 34 B7R0.9 CC(C)CC(C)(C)C T128777 [0,0,0,0,0,0|2,0,1]=3 35 B7R0.9 CC(C)C[Si](C)(C)Cl C337179 [0,0,0,0,0,0|2,1,1]=4 36 B7R0.9 CC(C)NC(C)(C)C N339196 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.9 CC(CC(C)(C)C)O D346243 [0,0,0,0,0,0|1,0,2]=3 38 B7R0.9 CC(CC(C)(C)O)O M108565 [0,0,0,0,0,0|0,1,2]=3 39 B7R0.9 CC(CC(C)(C)O)O M420527 [0,0,0,0,0,0|0,1,2]=3 40 B7R0.9 CC(C[N+](C)(C)C)O B152036 [0,0,0,0,0,0|2,0,2]=4 41 B7R0.9 CC(C[N+](C)(C)C)O B152039 [0,0,0,0,0,0|2,0,2]=4 42 B7R0.9 CC(C[N+](C)(C)C)O B351319 [0,0,0,0,0,0|2,0,2]=4 43 B7R0.9 CS(=O)(=O)CC(=O)O M336540 [0,0,0,0,0,0|3,1,0]=4 44 B7R0.9 C[N+](C)(C)CC(=O)O B106221 [0,0,0,0,0,0|3,0,0]=3 45 B7R0.9 C[N+](C)(C)CC(=O)O B113358 [0,0,0,0,0,0|3,0,0]=3 46 B7R0.9 C[N+](C)(C)CC(=O)[O-] B105554 [0,0,0,0,0,0|3,0,0]=3 47 B7R0.9 C[N+](C)(C)CC(=O)[O-] B105555 [0,0,0,0,0,0|3,0,0]=3 48 B7R0.9 C[N+](C)(C)CC(=O)[O-] B105556 [0,0,0,0,0,0|3,0,0]=3 49 B7R0.9 C[N+](C)(C)CC(=O)[O-] B420528 [0,0,0,0,0,0|3,0,0]=3 50 B7R0.9 C[Si](C)(C)CC(=C)Br B152728 [0,0,0,0,0,0|2,1,1]=4 51 B7R0.9 C[Si](C)(C)CC(=O)O T114555 [0,0,0,0,0,0|2,1,0]=3 52 B6R0.2 B(CC(C)C)(O)O M120307 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.2 B(CC(C)C)(O)O M299536 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.2 CC(=C)OC(=O)C I108612 [1,0,0,0,0,0|1,0,2]=4 55 B6R0.2 CC(=CC(=O)C)C M105926 [1,0,0,0,0,0|0,0,2]=3 56 B6R0.2 CC(=CC(=O)C)C M105927 [1,0,0,0,0,0|0,0,2]=3 57 B6R0.2 CC(=CC(=O)C)C M105928 [1,0,0,0,0,0|0,0,2]=3 58 B6R0.2 CC(=CC(=O)C)N F156686 [1,0,0,0,0,0|1,0,2]=4 59 B6R0.2 CC(=CC(=O)C)O A118525 [1,0,0,0,0,0|0,1,2]=4 60 B6R0.2 CC(=CC(=O)C)O A118538 [1,0,0,0,0,0|0,1,2]=4 61 B6R0.2 CC(=CC(=O)C)O A579873 [1,0,0,0,0,0|0,1,2]=4 62 B6R0.2 CC(=CC(=O)C)O B152272 [1,0,0,0,0,0|0,1,2]=4 63 B6R0.2 CC(=CC(=O)C)O C109323 [1,0,0,0,0,0|0,1,2]=4 64 B6R0.2 CC(=CC(=O)C)O C140817 [1,0,0,0,0,0|0,1,2]=4 65 B6R0.2 CC(=CC(=O)C)O C283471 [1,0,0,0,0,0|0,1,2]=4 66 B6R0.2 CC(=CC(=O)C)O C486854 [1,0,0,0,0,0|0,1,2]=4 67 B6R0.2 CC(=CC(=O)C)O D302912 [1,0,0,0,0,0|0,1,2]=4 68 B6R0.2 CC(=CC(=O)C)O E302901 [1,0,0,0,0,0|0,1,2]=4 69 B6R0.2 CC(=CC(=O)C)O E347622 [1,0,0,0,0,0|0,1,2]=4 70 B6R0.2 CC(=CC(=O)C)O G304265 [1,0,0,0,0,0|0,1,2]=4 71 B6R0.2 CC(=CC(=O)C)O H107857 [1,0,0,0,0,0|0,1,2]=4 72 B6R0.2 CC(=CC(=O)C)O I138305 [1,0,0,0,0,0|0,1,2]=4 73 B6R0.2 CC(=CC(=O)C)O I294571 [1,0,0,0,0,0|0,1,2]=4 74 B6R0.2 CC(=CC(=O)C)O M106182 [1,0,0,0,0,0|0,1,2]=4 75 B6R0.2 CC(=CC(=O)C)O P101065 [1,0,0,0,0,0|0,1,2]=4 76 B6R0.2 CC(=CC(=O)C)O P119025 [1,0,0,0,0,0|0,1,2]=4 77 B6R0.2 CC(=CC(=O)C)O P119026 [1,0,0,0,0,0|0,1,2]=4 78 B6R0.2 CC(=CC(=O)C)O P293928 [1,0,0,0,0,0|0,1,2]=4 79 B6R0.2 CC(=CC(=O)C)O R118502 [1,0,0,0,0,0|0,1,2]=4 80 B6R0.2 CC(=CC(=O)C)O R118539 [1,0,0,0,0,0|0,1,2]=4 81 B6R0.2 CC(=CC(=O)C)O R118540 [1,0,0,0,0,0|0,1,2]=4 82 B6R0.2 CC(=CC(=O)C)O R294372 [1,0,0,0,0,0|0,1,2]=4 83 B6R0.2 CC(=CC(=O)C)O R639975 [1,0,0,0,0,0|0,1,2]=4 84 B6R0.2 CC(=CC(=O)C)O S298504 [1,0,0,0,0,0|0,1,2]=4 85 B6R0.2 CC(=CC(=O)C)O T283063 [1,0,0,0,0,0|0,1,2]=4 86 B6R0.2 CC(=CC(=O)C)O T302818 [1,0,0,0,0,0|0,1,2]=4 87 B6R0.2 CC(=CC(=O)C)O T302908 [1,0,0,0,0,0|0,1,2]=4 88 B6R0.2 CC(=CC(=O)C)O V109324 [1,0,0,0,0,0|0,1,2]=4 89 B6R0.2 CC(=CC(=O)C)O V109325 [1,0,0,0,0,0|0,1,2]=4 90 B6R0.2 CC(=CC(=O)C)O Y191992 [1,0,0,0,0,0|0,1,2]=4 91 B6R0.2 CC(=CC(=O)C)O Y283039 [1,0,0,0,0,0|0,1,2]=4 92 B6R0.2 CC(=CC(=O)C)[O-] B107855 [1,0,0,0,0,0|0,1,2]=4 93 B6R0.2 CC(=CC(=O)C)[O-] B109340 [1,0,0,0,0,0|0,1,2]=4 94 B6R0.2 CC(=CC(=O)C)[O-] B152965 [1,0,0,0,0,0|0,1,2]=4 95 B6R0.2 CC(=CC(=O)C)[O-] B283467 [1,0,0,0,0,0|0,1,2]=4 96 B6R0.2 CC(=CC(=O)C)[O-] C100527 [1,0,0,0,0,0|0,1,2]=4 97 B6R0.2 CC(=CC(=O)C)[O-] C432320 [1,0,0,0,0,0|0,1,2]=4 98 B6R0.2 CC(=CC(=O)C)[O-] H302906 [1,0,0,0,0,0|0,1,2]=4 99 B6R0.2 CC(=CC(=O)C)[O-] I106157 [1,0,0,0,0,0|0,1,2]=4 100 B6R0.2 CC(=CC(=O)C)[O-] L102502 [1,0,0,0,0,0|0,1,2]=4 101 B6R0.2 CC(=CC(=O)C)[O-] M107860 [1,0,0,0,0,0|0,1,2]=4 102 B6R0.2 CC(=CC(=O)C)[O-] N105676 [1,0,0,0,0,0|0,1,2]=4 103 B6R0.2 CC(=CC(=O)C)[O-] N107859 [1,0,0,0,0,0|0,1,2]=4 104 B6R0.2 CC(=CC(=O)C)[O-] N359157 [1,0,0,0,0,0|0,1,2]=4 105 B6R0.2 CC(=CC(=O)C)[O-] S488282 [1,0,0,0,0,0|0,1,2]=4 106 B6R0.2 CC(=CC(=O)C)[O-] T161967 [1,0,0,0,0,0|0,1,2]=4 107 B6R0.2 CC(=CC(=O)C)[O-] Z106186 [1,0,0,0,0,0|0,1,2]=4 108 B6R0.2 CC(=CC(=O)C)[O-] Z107220 [1,0,0,0,0,0|0,1,2]=4 109 B6R0.2 CC(=CC(=O)C)[O-] Z431381 [1,0,0,0,0,0|0,1,2]=4 110 B6R0.2 CC(=CC(=O)C)[O-] Z573179 [1,0,0,0,0,0|0,1,2]=4 111 B6R0.2 CC(=CC(=O)Cl)C D135082 [1,0,0,0,0,0|1,0,2]=4 112 B6R0.2 CC(=CC(=O)O)C D102028 [1,0,0,0,0,0|1,0,2]=4 113 B6R0.2 CC(=O)CC(=O)C A110366 [1,0,0,0,0,0|0,1,1]=3 114 B6R0.2 CC(=O)CC(=O)C A110367 [1,0,0,0,0,0|0,1,1]=3 115 B6R0.2 CC(=O)CC(=O)C A110370 [1,0,0,0,0,0|0,1,1]=3 116 B6R0.2 CC(=O)CC(=O)N A194123 [1,0,0,0,0,0|1,1,1]=4 117 B6R0.2 CC(=O)CC(=O)[O-] L102932 [1,0,0,0,0,0|1,1,1]=4 118 B6R0.2 CC(=O)CC(=O)[O-] L490061 [1,0,0,0,0,0|1,1,1]=4 119 B6R0.2 CC(=O)CN(C)C D167514 [1,0,0,0,0,0|1,0,0]=2 120 B6R0.2 CC(=O)OC(=O)C A302240 [1,0,0,0,0,0|1,1,1]=4 121 B6R0.2 CC(=O)OC(=O)C A474130 [1,0,0,0,0,0|1,1,1]=4 122 B6R0.2 CC(=O)SC(=O)C A151355 [1,0,0,0,0,0|1,1,1]=4 123 B6R0.2 CC(=O)[CH-]C(=O)C T190897 [1,0,0,0,0,0|0,1,2]=4 124 B6R0.2 CC(=O)[CH-]C(=O)C Z302876 [1,0,0,0,0,0|0,1,2]=4 125 B6R0.2 CC(=[OH+])CC(=[OH+])C L492409 [1,0,0,0,0,0|0,1,2]=4 126 B6R0.2 CC(C)C=C(C)C D155423 [1,0,0,0,0,0|1,0,1]=3 127 B6R0.2 CC(C)CC(=O)C M108736 [1,0,0,0,0,0|0,0,0]=1 128 B6R0.2 CC(C)CC(=O)C M108737 [1,0,0,0,0,0|0,0,0]=1 129 B6R0.2 CC(C)CC(=O)C M108738 [1,0,0,0,0,0|0,0,0]=1 130 B6R0.2 CC(C)CC(=O)C M108740 [1,0,0,0,0,0|0,0,0]=1 131 B6R0.2 CC(C)CC(=O)C M108741 [1,0,0,0,0,0|0,0,0]=1 132 B6R0.2 CC(C)CC(=O)C M492092 [1,0,0,0,0,0|0,0,0]=1 133 B6R0.2 CC(C)CC(=O)Cl I157679 [1,0,0,0,0,0|1,0,0]=2 134 B6R0.2 CC(C)CC(=O)O I108280 [1,0,0,0,0,0|1,0,0]=2 135 B6R0.2 CC(C)CC(=O)O I108281 [1,0,0,0,0,0|1,0,0]=2 136 B6R0.2 CC(C)CC(=O)O I424338 [1,0,0,0,0,0|1,0,0]=2 137 B6R0.2 CC(C)CC(=O)O I432771 [1,0,0,0,0,0|1,0,0]=2 138 B6R0.2 CC(C)CC(C)C D155236 [1,0,0,0,0,0|1,0,1]=3 139 B6R0.2 CC(C)CC(C)N D154510 [1,0,0,0,0,0|1,0,1]=3 140 B6R0.2 CC(C)CC(C)O M104491 [1,0,0,0,0,0|0,0,2]=3 141 B6R0.2 CC(C)NC(=O)C N586389 [1,0,0,0,0,0|1,0,0]=2 142 B6R0.2 CC(C)NC(C)C D108297 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.2 CC(C)NC(C)C D108298 [1,0,0,0,0,0|2,0,1]=4 144 B6R0.2 CC(C)NC(C)C D108299 [1,0,0,0,0,0|2,0,1]=4 145 B6R0.2 CC(C)NC(C)C D108300 [1,0,0,0,0,0|2,0,1]=4 146 B6R0.2 CC(C)NC(C)C D108301 [1,0,0,0,0,0|2,0,1]=4 147 B6R0.2 CC(C)NC(C)C D135665 [1,0,0,0,0,0|2,0,1]=4 148 B6R0.2 CC(C)NC(C)C D154669 [1,0,0,0,0,0|2,0,1]=4 149 B6R0.2 CC(C)NC(C)C D399268 [1,0,0,0,0,0|2,0,1]=4 150 B6R0.2 CC(C)NC(C)C D404340 [1,0,0,0,0,0|2,0,1]=4 151 B6R0.2 CC(C)NC(C)C D494183 [1,0,0,0,0,0|2,0,1]=4 152 B6R0.2 CC(C)OC(=O)C I103453 [1,0,0,0,0,0|1,0,0]=2 153 B6R0.2 CC(C)OC(=O)C I103454 [1,0,0,0,0,0|1,0,0]=2 154 B6R0.2 CC(C)OC(=O)C I103455 [1,0,0,0,0,0|1,0,0]=2 155 B6R0.2 CC(C)OC(=O)N I157610 [1,0,0,0,0,0|2,0,0]=3 156 B6R0.2 CC(C)OC(=S)[S-] P160342 [1,0,0,0,0,0|2,1,0]=4 157 B6R0.2 CC(C)OC(C)C I110454 [1,0,0,0,0,0|2,0,1]=4 158 B6R0.2 CC(C)OC(C)C I110455 [1,0,0,0,0,0|2,0,1]=4 159 B6R0.2 CC(C)OC(C)C I110457 [1,0,0,0,0,0|2,0,1]=4 160 B6R0.2 CC(C)OC(C)C I110458 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.2 CC(C)OC(C)C I119694 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.2 CC(C)O[N+](=O)[O-] I342774 [1,0,0,0,0,0|3,0,0]=4 163 B6R0.2 CC(C)SC(C)C I157604 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.2 CC(CC(=O)O)Br B169132 [1,0,0,0,0,0|2,0,0]=3 165 B6R0.2 CC(CC(=O)O)Cl C153466 [1,0,0,0,0,0|2,0,0]=3 166 B6R0.2 CC(CC(=O)O)N A100948 [1,0,0,0,0,0|2,0,0]=3 167 B6R0.2 CC(CC(=O)O)N H117041 [1,0,0,0,0,0|2,0,0]=3 168 B6R0.2 CC(CC(=O)O)N R184127 [1,0,0,0,0,0|2,0,0]=3 169 B6R0.2 CC(CC(=O)O)N S193074 [1,0,0,0,0,0|2,0,0]=3 170 B6R0.2 CC(CC(=O)O)O P347707 [1,0,0,0,0,0|1,1,0]=3 171 B6R0.2 CC(CC(=O)O)O R304188 [1,0,0,0,0,0|1,1,0]=3 172 B6R0.2 CC(CC(=O)O)O R425172 [1,0,0,0,0,0|1,1,0]=3 173 B6R0.2 CC(CC(=O)O)O S161108 [1,0,0,0,0,0|1,1,0]=3 174 B6R0.2 CC(CC(=O)O)O S194215 [1,0,0,0,0,0|1,1,0]=3 175 B6R0.2 CC(CC(=O)[O-])O B301134 [1,0,0,0,0,0|1,1,0]=3 176 B6R0.2 CC(CC(=O)[O-])O H121822 [1,0,0,0,0,0|1,1,0]=3 177 B6R0.2 CC(CC(=O)[O-])O X131756 [1,0,0,0,0,0|1,1,0]=3 178 B6R0.2 CC(CC(C)Br)Br D155303 [1,0,0,0,0,0|2,0,1]=4 179 B6R0.2 CC(CC(C)O)O R160958 [1,0,0,0,0,0|0,1,2]=4 180 B6R0.2 CC(CC(C)O)O S161001 [1,0,0,0,0,0|0,1,2]=4 181 B6R0.2 CC(CN(C)C)Cl C153815 [1,0,0,0,0,0|2,0,1]=4 182 B6R0.2 CC(CN(C)C)O B282542 [1,0,0,0,0,0|1,0,2]=4 183 B6R0.2 CC(CN(C)C)O D155704 [1,0,0,0,0,0|1,0,2]=4 184 B6R0.2 CC(OC(=O)C)Br B303662 [1,0,0,0,0,0|2,0,0]=3 185 B6R0.2 CC(OC(=O)Cl)Cl C100655 [1,0,0,0,0,0|3,0,0]=4 186 B6R0.2 CN(C)CC(=O)O D115675 [1,0,0,0,0,0|2,0,0]=3 187 B6R0.2 CN(C)CC(=O)O N159831 [1,0,0,0,0,0|2,0,0]=3 188 B6R0.2 CN(C)CC(=O)O N420632 [1,0,0,0,0,0|2,0,0]=3 189 B6R0.2 CN(C)CN(C)C N159372 [1,0,0,0,0,0|3,0,0]=4 190 B6R0.5 CC(C)(C)CC=O D133103 [1,0,0,0,0,0|1,0,0]=2 191 B6R0.5 CC(C)(C)CCBr B405387 [1,0,0,0,0,0|2,0,1]=4 192 B6R0.5 CC(C)(C)CCN D468789 [1,0,0,0,0,0|2,0,1]=4 193 B6R0.5 CC(C)(C)CCO D139098 [1,0,0,0,0,0|1,0,2]=4 194 B6R0.5 CC(C)(C)NC=O N159292 [1,0,0,0,0,0|2,0,0]=3 195 B6R0.5 CC(C)(C)OC=C T139444 [1,0,0,0,0,0|2,0,1]=4 196 B6R0.5 CC(C)(C)OC=O T341498 [1,0,0,0,0,0|2,0,0]=3 197 B6R0.5 CC(C)(C)ON=O B106794 [1,0,0,0,0,0|3,0,0]=4 198 B6R0.5 CC(C)(CC#N)O H167089 [1,0,0,0,0,0|1,1,1]=4 199 B6R0.5 CC(C)(CCN)O A483316 [1,0,0,0,0,0|1,1,1]=4 200 B6R0.5 CC(C)(CCO)O M106425 [1,0,0,0,0,0|0,1,2]=4 201 B6R0.5 CC(C)(CCO)S M138699 [1,0,0,0,0,0|0,0,2]=3 202 B6R0.5 CC(C)(CSC)N M588894 [1,0,0,0,0,0|2,0,0]=3 203 B6R0.5 CCCC(C)(C)C D106287 [1,0,0,0,0,0|1,0,1]=3 204 B6R0.5 CCC[N+](C)(C)C T162053 [1,0,0,0,0,0|2,0,1]=4 205 B6R0.5 CCC[Si](C)(C)Cl C153294 [1,0,0,0,0,0|1,1,1]=4 206 B6R0.5 CCOC(C)(C)C B108911 [1,0,0,0,0,0|2,0,1]=4 207 B6R0.5 CCOC(C)(C)C B108912 [1,0,0,0,0,0|2,0,1]=4 208 B6R0.5 COC[Si](C)(C)C M157801 [1,0,0,0,0,0|2,1,0]=4 209 B6R0.5 C[N+](C)(C)CC=C A191081 [1,0,0,0,0,0|2,0,1]=4 210 B6R0.5 C[Si](C)(C)CC=C A107288 [1,0,0,0,0,0|1,1,1]=4 211 B6R0.5 C[Si](C)(CC=C)Cl A151246 [1,0,0,0,0,0|1,1,1]=4 212 B8R0.24 CC(C)(C)NC(=O)C=C B109092 [0,1,0,0,0,0|2,0,1]=4 213 B8R0.24 CC(C)(C)NC(=O)CCl N132005 [0,1,0,0,0,0|2,0,0]=3 214 B8R0.24 CC(C)(C)OC(=O)C#C B110227 [0,1,0,0,0,0|2,0,1]=4 215 B8R0.24 CC(C)(C)OC(=O)C=C B111147 [0,1,0,0,0,0|2,0,1]=4 216 B8R0.24 CC(C)(C)OC(=O)C=C B111148 [0,1,0,0,0,0|2,0,1]=4 217 B8R0.24 CC(C)(C)OC(=O)C=C P404912 [0,1,0,0,0,0|2,0,1]=4 218 B8R0.24 CC(C)(C)OC(=O)CBr B107740 [0,1,0,0,0,0|2,0,0]=3 219 B8R0.24 CC(C)(C)OC(=O)CCl C111421 [0,1,0,0,0,0|2,0,0]=3 220 B8R0.24 CC(C)(C)OC(=O)CI T193586 [0,1,0,0,0,0|2,0,0]=3 221 B8R0.24 CC(C)(C)OC(=O)CN G109218 [0,1,0,0,0,0|2,0,0]=3 222 B8R0.24 CC(C)(C)OC(=O)CN T589781 [0,1,0,0,0,0|2,0,0]=3 223 B8R0.24 CC(C)(C)OC(=O)CO T193628 [0,1,0,0,0,0|2,0,0]=3 224 B8R0.24 CC(C)(C)OC(=O)CS T588001 [0,1,0,0,0,0|2,0,0]=3 225 B8R0.24 CC(C)(C)OC(=O)NC T138324 [0,1,0,0,0,0|2,0,0]=3 226 B8R0.24 CC(C)(C)OC(=O)NN B106949 [0,1,0,0,0,0|3,0,0]=4 227 B8R0.24 CC(C)(C)OC(=O)NN T466111 [0,1,0,0,0,0|3,0,0]=4 228 B8R0.24 CC(C)(C)OC(=O)NO T162737 [0,1,0,0,0,0|3,0,0]=4 229 B8R0.24 CC(CC(C)(C)C)C=C T161801 [0,1,0,0,0,0|2,0,1]=4 230 B8R0.24 CCC(=O)OC(C)(C)C T162406 [0,1,0,0,0,0|2,0,0]=3 231 B8R0.24 CCC(=O)O[Si](C)(C)C T161571 [0,1,0,0,0,0|2,1,0]=4 232 B8R0.24 COC(=O)CC(F)(F)F M158814 [0,1,0,0,0,0|3,0,0]=4 233 B8R0.24 COC(=O)CS(=O)(=O)C M123593 [0,1,0,0,0,0|2,1,0]=4 234 B8R0.24 COC(=O)C[Si](C)(C)C M342470 [0,1,0,0,0,0|1,1,0]=3 235 B8R0.24 C[N+](C)(C)CC(=O)NN G108418 [0,1,0,0,0,0|3,0,0]=4 236 B8R0.24 C[Si](C)(C)OC(=O)CBr T161572 [0,1,0,0,0,0|2,1,0]=4 237 B8R0.27 CC(C)(C(C(=O)O)N)F F170342 [0,1,0,0,0,0|2,0,0]=3 238 B8R0.27 CC(C)(C(C(=O)O)N)S D424522 [0,1,0,0,0,0|1,0,0]=2 239 B8R0.27 CC(C)(C(C(=O)O)N)S D424523 [0,1,0,0,0,0|1,0,0]=2 240 B8R0.27 CC(C)(C(C(=O)O)N)S P113830 [0,1,0,0,0,0|1,0,0]=2 241 B8R0.27 CC(C)(C(C(=O)O)N)S P115952 [0,1,0,0,0,0|1,0,0]=2 242 B8R0.27 CC(C)(C(C(=O)O)N)S P299173 [0,1,0,0,0,0|1,0,0]=2 243 B8R0.27 CC(C)(C(C(=O)O)N)S S161218 [0,1,0,0,0,0|1,0,0]=2 244 B8R0.27 CC(C)(C)C(=O)C(=O)O D154871 [0,1,0,0,0,0|2,0,1]=4 245 B8R0.27 CC(C)(C)C(C(=O)N)N L304556 [0,1,0,0,0,0|2,0,0]=3 246 B8R0.27 CC(C)(C)C(C(=O)O)N D115672 [0,1,0,0,0,0|2,0,0]=3 247 B8R0.27 CC(C)(C)C(C(=O)O)N L102884 [0,1,0,0,0,0|2,0,0]=3 248 B8R0.27 CC(C)(C)C(C(=O)O)N L102895 [0,1,0,0,0,0|2,0,0]=3 249 B8R0.27 CC(C)(C)C(C(=O)O)O S470627 [0,1,0,0,0,0|2,0,0]=3 250 B8R0.33 CC(C)(C)CC(C)(C)C T161712 [0,1,0,0,0,0|2,0,1]=4 251 B8R0.33 CC(C)(C)CC(C)(C)N T161539 [0,1,0,0,0,0|2,0,1]=4 252 B8R0.33 CC(C)(C)CC(C)(C)N T405084 [0,1,0,0,0,0|2,0,1]=4 253 B8R0.33 CC(C)(C)CC(C)(C)O T162730 [0,1,0,0,0,0|1,0,2]=4 254 B8R0.33 CC(C)(CC(C)(C)O)O D154710 [0,1,0,0,0,0|0,1,2]=4 255 B8R0.34 CC(=O)CC(C)(C)OC M158819 [0,1,0,0,0,0|0,1,0]=2 256 B8R0.34 CC(=O)CC(C)(C)SC M102764 [0,1,0,0,0,0|0,0,0]=1 257 B8R0.34 CC(C)(CN)CN(C)C N159356 [0,1,0,0,0,0|3,0,0]=4 258 B8R0.34 CCC(C)(CC(=O)O)O H156962 [0,1,0,0,0,0|1,1,0]=3 259 B8R1.51 C1CS(=O)(=O)CC1=O T182043 [0,0,0,1,0,0|2,1,0]=4 260 B8R1.51 CC1(CC(=O)C=C1)C D168778 [0,0,0,1,0,0|1,0,1]=3 261 B8R1.51 CC1(CC(=O)NC1)C D194493 [0,0,0,1,0,0|2,0,0]=3 262 B8R1.51 CC1(CCC(=O)C1)C D175598 [0,0,0,1,0,0|1,0,0]=2 263 B8R1.51 CC1(CCC(=O)N1)C D193696 [0,0,0,1,0,0|2,0,0]=3 264 B8R1.51 CC1(COC(=O)N1)C D135412 [0,0,0,1,0,0|3,0,0]=4 265 B8R1.51 CC1=NC(CO1)(C)C T141476 [0,0,0,1,0,0|2,0,1]=4 266 B8R1.77 C1C(C1(F)F)C(=O)O D165818 [0,0,0,1,0,0|3,0,0]=4 267 B8R1.77 CC1(CC1C(=O)N)C D102248 [0,0,0,1,0,0|2,0,0]=3 268 B8R1.77 CC1(CC1C(=O)O)C D194933 [0,0,0,1,0,0|2,0,0]=3 269 B8R1.77 CC1(CC1C(=O)O)C S161036 [0,0,0,1,0,0|2,0,0]=3 270 B6R0.7 CC(=C)C(C)(C)C T162384 [0,0,0,0,1,0|2,0,0]=3 271 B6R0.7 CC(=O)C(C)(C)Br B151949 [0,0,0,0,1,0|1,0,0]=2 272 B6R0.7 CC(=O)C(C)(C)C P186447 [0,0,0,0,1,0|1,0,0]=2 273 B6R0.7 CC(=O)C(C)(C)O H138057 [0,0,0,0,1,0|0,1,0]=2 274 B6R0.7 CC(=O)C(Cl)(Cl)Cl T161568 [0,0,0,0,1,0|3,0,0]=4 275 B6R0.7 CC(C(=O)O)(Cl)Cl D114722 [0,0,0,0,1,0|3,0,0]=4 276 B6R0.7 CC(C(=O)O)(Cl)Cl D140875 [0,0,0,0,1,0|3,0,0]=4 277 B6R0.7 CC(C(=O)O)(F)F W135486 [0,0,0,0,1,0|3,0,0]=4 278 B6R0.7 CC(C(=O)[O-])(Cl)Cl S161405 [0,0,0,0,1,0|3,0,0]=4 279 B6R0.7 CC(C(=O)[O-])(F)F S578784 [0,0,0,0,1,0|3,0,0]=4 280 B6R0.7 CC(C(C)(C)C)N D113400 [0,0,0,0,1,0|2,0,1]=4 281 B6R0.7 CC(C(C)(C)C)N D113401 [0,0,0,0,1,0|2,0,1]=4 282 B6R0.7 CC(C(C)(C)C)N D154517 [0,0,0,0,1,0|2,0,1]=4 283 B6R0.7 CC(C)(C(=O)Br)Br B106971 [0,0,0,0,1,0|2,0,0]=3 284 B6R0.7 CC(C)(C(=O)N)Br B152951 [0,0,0,0,1,0|2,0,0]=3 285 B6R0.7 CC(C)(C(=O)N)O H156960 [0,0,0,0,1,0|1,1,0]=3 286 B6R0.7 CC(C)(C(=O)O)Br B106968 [0,0,0,0,1,0|2,0,0]=3 287 B6R0.7 CC(C)(C(=O)O)N A117156 [0,0,0,0,1,0|2,0,0]=3 288 B6R0.7 CC(C)(C(=O)O)O H113439 [0,0,0,0,1,0|1,1,0]=3 289 B6R0.7 CC(C)(C(=O)O)O H474834 [0,0,0,0,1,0|1,1,0]=3 290 B6R0.7 CC(C)(C)C(=N)N P160326 [0,0,0,0,1,0|3,0,0]=4 291 B6R0.7 CC(C)(C)C(=O)N P160454 [0,0,0,0,1,0|2,0,0]=3 292 B6R0.7 CC(C)(C)C(=O)O P101329 [0,0,0,0,1,0|2,0,0]=3 293 B6R0.7 CC(C)(C)C(=O)[O-] C153540 [0,0,0,0,1,0|2,0,0]=3 294 B6R0.7 CC(C)(C)C(=O)[O-] P299607 [0,0,0,0,1,0|2,0,0]=3 295 B6R0.7 CC(C)(C)C(=O)[O-] S160973 [0,0,0,0,1,0|2,0,0]=3 296 B6R0.7 CC(C)(C)C(=O)[O-] S302271 [0,0,0,0,1,0|2,0,0]=3 297 B6R0.7 CC(C)(C)C(=O)[O-] Z587448 [0,0,0,0,1,0|2,0,0]=3 298 B6R0.7 CC(C)(C)C(=S)N D589723 [0,0,0,0,1,0|2,1,0]=4 299 B6R0.7 CC(C)(C)S(=O)Cl T102339 [0,0,0,0,1,0|3,0,0]=4 300 B6R0.7 CC(C)(C)S(=O)N M105667 [0,0,0,0,1,0|3,0,0]=4 301 B6R0.7 CC(C)(C)S(=O)N M113209 [0,0,0,0,1,0|3,0,0]=4 302 B6R0.7 CC(C)(C)S(=O)N T161651 [0,0,0,0,1,0|3,0,0]=4 303 B6R0.7 CC(C)(C)[N+](=O)[O-] M157780 [0,0,0,0,1,0|3,0,0]=4 304 B6R0.7 CC(C)(C)[Si](C)C T162516 [0,0,0,0,1,0|2,1,0]=4 305 B6R0.7 CC(C)C(C)(C)C T161703 [0,0,0,0,1,0|2,0,1]=4 306 B6R0.7 CC(C)C(C)(C)O D472523 [0,0,0,0,1,0|1,1,1]=4 307 B8R0.29 CC(=O)C#C[Si](C)(C)C T115787 [0,0,0,0,0,1|1,1,1]=4 308 B8R0.29 CC(=O)OCC(F)(F)F T405032 [0,0,0,0,0,1|3,0,0]=4 309 B8R0.29 CC(=O)OC[Si](C)(C)C T162333 [0,0,0,0,0,1|1,1,0]=3 310 B8R0.29 CC(=O)ONC(C)(C)C O159950 [0,0,0,0,0,1|2,0,0]=3 311 B8R0.29 CC(C)(C)NCC(=O)O N194621 [0,0,0,0,0,1|2,0,0]=3 312 B8R0.29 CC(C)CCC(C)(C)C T161706 [0,0,0,0,0,1|2,0,1]=4 313 B8R0.29 CC(CCC(=O)O)(F)F D586779 [0,0,0,0,0,1|3,0,0]=4 314 B8R0.29 C[Si](C)(C)CCC(=O)[O-] T303180 [0,0,0,0,0,1|2,1,0]=4 315 B5R0.1 C(CBr)C(=O)Cl B135557 [2,0,0,0,0,0|2,0,0]=4 316 B5R0.1 C(CBr)C(=O)N B152335 [2,0,0,0,0,0|2,0,0]=4 317 B5R0.1 C(CBr)C(=O)O B106081 [2,0,0,0,0,0|2,0,0]=4 318 B5R0.1 C(CCl)C(=O)Cl C109466 [2,0,0,0,0,0|2,0,0]=4 319 B5R0.1 C(CCl)C(=O)N C171099 [2,0,0,0,0,0|2,0,0]=4 320 B5R0.1 C(CCl)C(=O)O C106515 [2,0,0,0,0,0|2,0,0]=4 321 B5R0.1 C(CI)C(=O)O I157542 [2,0,0,0,0,0|2,0,0]=4 322 B5R0.1 C(CN)C(=O)N B135870 [2,0,0,0,0,0|2,0,0]=4 323 B5R0.1 C(CN)C(=O)O A105703 [2,0,0,0,0,0|2,0,0]=4 324 B5R0.1 C(CN)C(=O)O A137901 [2,0,0,0,0,0|2,0,0]=4 325 B5R0.1 C(CN)C(=O)O A494514 [2,0,0,0,0,0|2,0,0]=4 326 B5R0.1 C(CO)C(=O)O H136635 [2,0,0,0,0,0|1,1,0]=4 327 B5R0.1 C(CS)C(=O)O M103035 [2,0,0,0,0,0|1,0,0]=3 328 B5R0.1 C(CS)C(=O)O M103036 [2,0,0,0,0,0|1,0,0]=3 329 B5R0.1 C(CS)C(=O)O M590994 [2,0,0,0,0,0|1,0,0]=3 330 B5R0.1 CC#CC(C)C M157953 [2,0,0,0,0,0|0,0,2]=4 331 B5R0.1 CC(=C)CCO M158231 [2,0,0,0,0,0|1,1,0]=4 332 B5R0.1 CC(=CC=O)C M158692 [2,0,0,0,0,0|0,0,2]=4 333 B5R0.1 CC(=O)CCO H106330 [2,0,0,0,0,0|0,1,0]=3 334 B5R0.1 CC(=O)COC M158844 [2,0,0,0,0,0|1,0,0]=3 335 B5R0.1 CC(=O)NCO A151630 [2,0,0,0,0,0|1,1,0]=4 336 B5R0.1 CC(=O)OCBr B122544 [2,0,0,0,0,0|2,0,0]=4 337 B5R0.1 CC(=O)OCCl C194261 [2,0,0,0,0,0|2,0,0]=4 338 B5R0.1 CC(C)CC#C M157952 [2,0,0,0,0,0|0,0,2]=4 339 B5R0.1 CC(C)CC#N I137312 [2,0,0,0,0,0|1,0,1]=4 340 B5R0.1 CC(C)CC=C M158219 [2,0,0,0,0,0|0,0,1]=3 341 B5R0.1 CC(C)CC=O I103729 [2,0,0,0,0,0|0,0,0]=2 342 B5R0.1 CC(C)CC=O I103733 [2,0,0,0,0,0|0,0,0]=2 343 B5R0.1 CC(C)CCBr I109279 [2,0,0,0,0,0|1,0,1]=4 344 B5R0.1 CC(C)CCCl C105682 [2,0,0,0,0,0|1,0,1]=4 345 B5R0.1 CC(C)CCI I100674 [2,0,0,0,0,0|1,0,1]=4 346 B5R0.1 CC(C)CCN I109581 [2,0,0,0,0,0|1,0,1]=4 347 B5R0.1 CC(C)CCN I404590 [2,0,0,0,0,0|1,0,1]=4 348 B5R0.1 CC(C)CCO M116196 [2,0,0,0,0,0|0,0,2]=4 349 B5R0.1 CC(C)CCO M116197 [2,0,0,0,0,0|0,0,2]=4 350 B5R0.1 CC(C)CCO M116198 [2,0,0,0,0,0|0,0,2]=4 351 B5R0.1 CC(C)CCO M116200 [2,0,0,0,0,0|0,0,2]=4 352 B5R0.1 CC(C)CCO M116201 [2,0,0,0,0,0|0,0,2]=4 353 B5R0.1 CC(C)CCO M119838 [2,0,0,0,0,0|0,0,2]=4 354 B5R0.1 CC(C)CCS M101609 [2,0,0,0,0,0|0,1,1]=4 355 B5R0.1 CC(C)CNN I588327 [2,0,0,0,0,0|2,0,0]=4 356 B5R0.1 CC(C)C[Zn]Br I465880 [2,0,0,0,0,0|2,0,0]=4 357 B5R0.1 CC(C)OC=O I112304 [2,0,0,0,0,0|1,0,0]=3 358 B5R0.1 CC(CC=C)O P160534 [2,0,0,0,0,0|0,1,1]=4 359 B5R0.1 CC(CC=C)O R467366 [2,0,0,0,0,0|0,1,1]=4 360 B5R0.1 CC(CC=C)O S467331 [2,0,0,0,0,0|0,1,1]=4 361 B5R0.1 CC(CNC)O M587581 [2,0,0,0,0,0|1,1,0]=4 362 B5R0.1 CC(COC)N M169973 [2,0,0,0,0,0|2,0,0]=4 363 B5R0.1 CC(COC)N S475332 [2,0,0,0,0,0|2,0,0]=4 364 B5R0.1 CC(COC)N S586466 [2,0,0,0,0,0|2,0,0]=4 365 B5R0.1 CC(COC)O M105264 [2,0,0,0,0,0|1,1,0]=4 366 B5R0.1 CC(COC)O M105265 [2,0,0,0,0,0|1,1,0]=4 367 B5R0.1 CC(COC)O M105266 [2,0,0,0,0,0|1,1,0]=4 368 B5R0.1 CC(COC)O M299436 [2,0,0,0,0,0|1,1,0]=4 369 B5R0.1 CC(COC)O R160841 [2,0,0,0,0,0|1,1,0]=4 370 B5R0.1 CC(COC)O S161357 [2,0,0,0,0,0|1,1,0]=4 371 B5R0.1 CC=CC(=O)C P139100 [2,0,0,0,0,0|0,0,2]=4 372 B5R0.1 CC=CC(C)C M158236 [2,0,0,0,0,0|0,0,1]=3 373 B5R0.1 CC=CC(C)C T162379 [2,0,0,0,0,0|0,0,1]=3 374 B5R0.1 CCC=C(C)C M158233 [2,0,0,0,0,0|1,0,1]=4 375 B5R0.1 CCCC(=C)C M158211 [2,0,0,0,0,0|1,0,0]=3 376 B5R0.1 CCCC(=O)C P103780 [2,0,0,0,0,0|0,0,0]=2 377 B5R0.1 CCCC(=O)C P103781 [2,0,0,0,0,0|0,0,0]=2 378 B5R0.1 CCCC(=O)C P103782 [2,0,0,0,0,0|0,0,0]=2 379 B5R0.1 CCCC(=O)C P103783 [2,0,0,0,0,0|0,0,0]=2 380 B5R0.1 CCCC(=O)Cl B108666 [2,0,0,0,0,0|1,0,0]=3 381 B5R0.1 CCCC(=O)N B152329 [2,0,0,0,0,0|1,0,0]=3 382 B5R0.1 CCCC(=O)O B110438 [2,0,0,0,0,0|1,0,0]=3 383 B5R0.1 CCCC(=O)O B110439 [2,0,0,0,0,0|1,0,0]=3 384 B5R0.1 CCCC(=O)O B110440 [2,0,0,0,0,0|1,0,0]=3 385 B5R0.1 CCCC(=O)O B110442 [2,0,0,0,0,0|1,0,0]=3 386 B5R0.1 CCCC(=O)O B274612 [2,0,0,0,0,0|1,0,0]=3 387 B5R0.1 CCCC(=O)O B431361 [2,0,0,0,0,0|1,0,0]=3 388 B5R0.1 CCCC(=O)[O-] S102954 [2,0,0,0,0,0|1,0,0]=3 389 B5R0.1 CCCC(=O)[O-] S102956 [2,0,0,0,0,0|1,0,0]=3 390 B5R0.1 CCCC(=O)[O-] S346178 [2,0,0,0,0,0|1,0,0]=3 391 B5R0.1 CCCC(=O)[O-] S421873 [2,0,0,0,0,0|1,0,0]=3 392 B5R0.1 CCCC(C)Br B400517 [2,0,0,0,0,0|1,0,1]=4 393 B5R0.1 CCCC(C)C I157548 [2,0,0,0,0,0|0,0,1]=3 394 B5R0.1 CCCC(C)C M105775 [2,0,0,0,0,0|0,0,1]=3 395 B5R0.1 CCCC(C)C M105776 [2,0,0,0,0,0|0,0,1]=3 396 B5R0.1 CCCC(C)C M105777 [2,0,0,0,0,0|0,0,1]=3 397 B5R0.1 CCCC(C)C M105778 [2,0,0,0,0,0|0,0,1]=3 398 B5R0.1 CCCC(C)C M137744 [2,0,0,0,0,0|0,0,1]=3 399 B5R0.1 CCCC(C)Cl C467357 [2,0,0,0,0,0|1,0,1]=4 400 B5R0.1 CCCC(C)N A151353 [2,0,0,0,0,0|1,0,1]=4 401 B5R0.1 CCCC(C)O P103442 [2,0,0,0,0,0|0,0,2]=4 402 B5R0.1 CCCC(C)O P103443 [2,0,0,0,0,0|0,0,2]=4 403 B5R0.1 CCCC(C)O R138651 [2,0,0,0,0,0|0,0,2]=4 404 B5R0.1 CCCC(C)O S138580 [2,0,0,0,0,0|0,0,2]=4 405 B5R0.1 CCCN(C)C N404354 [2,0,0,0,0,0|1,0,1]=4 406 B5R0.1 CCC[N+](=O)[O-] N109053 [2,0,0,0,0,0|2,0,0]=4 407 B5R0.1 CCNC(=O)C I135660 [2,0,0,0,0,0|1,0,0]=3 408 B5R0.1 CCNC(=O)N E105944 [2,0,0,0,0,0|2,0,0]=4 409 B5R0.1 CCNC(C)C N159098 [2,0,0,0,0,0|1,0,1]=4 410 B5R0.1 CCOC(=N)C E132730 [2,0,0,0,0,0|2,0,0]=4 411 B5R0.1 CCOC(=O)C E116131 [2,0,0,0,0,0|1,0,0]=3 412 B5R0.1 CCOC(=O)C E116132 [2,0,0,0,0,0|1,0,0]=3 413 B5R0.1 CCOC(=O)C E116133 [2,0,0,0,0,0|1,0,0]=3 414 B5R0.1 CCOC(=O)C E116134 [2,0,0,0,0,0|1,0,0]=3 415 B5R0.1 CCOC(=O)C E116135 [2,0,0,0,0,0|1,0,0]=3 416 B5R0.1 CCOC(=O)C E116136 [2,0,0,0,0,0|1,0,0]=3 417 B5R0.1 CCOC(=O)C E116137 [2,0,0,0,0,0|1,0,0]=3 418 B5R0.1 CCOC(=O)C E116138 [2,0,0,0,0,0|1,0,0]=3 419 B5R0.1 CCOC(=O)C E116139 [2,0,0,0,0,0|1,0,0]=3 420 B5R0.1 CCOC(=O)C E116141 [2,0,0,0,0,0|1,0,0]=3 421 B5R0.1 CCOC(=O)C E116142 [2,0,0,0,0,0|1,0,0]=3 422 B5R0.1 CCOC(=O)C E119698 [2,0,0,0,0,0|1,0,0]=3 423 B5R0.1 CCOC(=O)C E141165 [2,0,0,0,0,0|1,0,0]=3 424 B5R0.1 CCOC(=O)C E302266 [2,0,0,0,0,0|1,0,0]=3 425 B5R0.1 CCOC(=O)C E432070 [2,0,0,0,0,0|1,0,0]=3 426 B5R0.1 CCOC(=O)N C266075 [2,0,0,0,0,0|2,0,0]=4 427 B5R0.1 CCOC(=O)N E424443 [2,0,0,0,0,0|2,0,0]=4 428 B5R0.1 CCOC(=O)N U108629 [2,0,0,0,0,0|2,0,0]=4 429 B5R0.1 CCOC(=O)N U299635 [2,0,0,0,0,0|2,0,0]=4 430 B5R0.1 CCSC(=O)C E107950 [2,0,0,0,0,0|1,0,0]=3 431 B5R0.1 CCSC(=S)C E338928 [2,0,0,0,0,0|1,1,0]=4 432 B5R0.1 CN(C)CC=C D117859 [2,0,0,0,0,0|1,0,1]=4 433 B5R0.1 CN(C)CC=O D587172 [2,0,0,0,0,0|1,0,0]=3 434 B5R0.1 CNCC(=O)N S115899 [2,0,0,0,0,0|2,0,0]=4 435 B5R0.1 CNCC(=O)O S102891 [2,0,0,0,0,0|2,0,0]=4 436 B5R0.1 CNCC(=O)O S113893 [2,0,0,0,0,0|2,0,0]=4 437 B5R0.1 CNCC(=O)O S420541 [2,0,0,0,0,0|2,0,0]=4 438 B5R0.1 CNCC(=O)[O-] S189142 [2,0,0,0,0,0|2,0,0]=4 439 B5R0.1 COCC(=O)Cl M124203 [2,0,0,0,0,0|2,0,0]=4 440 B5R0.1 COCC(=O)O M158057 [2,0,0,0,0,0|2,0,0]=4 441 B5R0.1 CSCC(=O)N M158330 [2,0,0,0,0,0|2,0,0]=4 442 B5R0.1 CSCC(=O)O M168970 [2,0,0,0,0,0|2,0,0]=4 443 B5R0.1 CSCS(=O)C M158415 [2,0,0,0,0,0|2,0,0]=4 444 B5R0.4 CC(C)(C)C=C D111800 [2,0,0,0,0,0|1,0,1]=4 445 B5R0.4 CC(C)(C)C=O T106594 [2,0,0,0,0,0|1,0,0]=3 446 B5R0.4 CC(C)(C)C=O T639228 [2,0,0,0,0,0|1,0,0]=3 447 B5R0.4 CC(C)(C)CBr B472553 [2,0,0,0,0,0|2,0,0]=4 448 B5R0.4 CC(C)(C)CN D191210 [2,0,0,0,0,0|2,0,0]=4 449 B5R0.4 CC(C)(C)CN N159082 [2,0,0,0,0,0|2,0,0]=4 450 B5R0.4 CC(C)(C)CO D154491 [2,0,0,0,0,0|1,0,1]=4 451 B5R0.4 CC(C)(C)NC N339191 [2,0,0,0,0,0|2,0,0]=4 452 B5R0.4 CC(C)(C)OC B108113 [2,0,0,0,0,0|2,0,0]=4 453 B5R0.4 CC(C)(C)OC B108114 [2,0,0,0,0,0|2,0,0]=4 454 B5R0.4 CC(C)(C)OC B108115 [2,0,0,0,0,0|2,0,0]=4 455 B5R0.4 CC(C)(C)OC B108116 [2,0,0,0,0,0|2,0,0]=4 456 B5R0.4 CC(C)(C)OC B108117 [2,0,0,0,0,0|2,0,0]=4 457 B5R0.4 CC(C)(C)OC B108119 [2,0,0,0,0,0|2,0,0]=4 458 B5R0.4 CC(C)(C)OC B108120 [2,0,0,0,0,0|2,0,0]=4 459 B5R0.4 CC(C)(C)OC B108121 [2,0,0,0,0,0|2,0,0]=4 460 B5R0.4 CC(C)(C)OC B119671 [2,0,0,0,0,0|2,0,0]=4 461 B5R0.4 CC(C)(C)OC T432179 [2,0,0,0,0,0|2,0,0]=4 462 B5R0.4 CC(C)(C=C)O M106453 [2,0,0,0,0,0|0,1,1]=4 463 B5R0.4 CC(C)(CBr)Br D472522 [2,0,0,0,0,0|2,0,0]=4 464 B5R0.4 CC(C)(CBr)O B355149 [2,0,0,0,0,0|1,1,0]=4 465 B5R0.4 CC(C)(CCl)Cl D589600 [2,0,0,0,0,0|2,0,0]=4 466 B5R0.4 CC(C)(CCl)O C153898 [2,0,0,0,0,0|1,1,0]=4 467 B5R0.4 CC(C)(CN)N D155077 [2,0,0,0,0,0|2,0,0]=4 468 B5R0.4 CC(C)(CN)O A137158 [2,0,0,0,0,0|1,1,0]=4 469 B5R0.4 CC(C)(CO)N A100592 [2,0,0,0,0,0|1,0,1]=4 470 B5R0.4 CC(C)(CO)N A120623 [2,0,0,0,0,0|1,0,1]=4 471 B5R0.4 CC(C)(CO)N A140833 [2,0,0,0,0,0|1,0,1]=4 472 B5R0.4 CC(C)(CO)O M185207 [2,0,0,0,0,0|0,1,1]=4 473 B5R0.4 CCC(C)(C)C D105772 [2,0,0,0,0,0|1,0,0]=3 474 B5R0.4 CCC(C)(C)C D105773 [2,0,0,0,0,0|1,0,0]=3 475 B5R0.4 CCC(C)(C)C D105774 [2,0,0,0,0,0|1,0,0]=3 476 B5R0.4 CCC(C)(C)Cl C153545 [2,0,0,0,0,0|1,0,0]=3 477 B5R0.4 CCC(C)(C)N T161727 [2,0,0,0,0,0|1,0,0]=3 478 B5R0.4 CCC(C)(C)O A103416 [2,0,0,0,0,0|0,1,0]=3 479 B5R0.4 CCC(C)(C)O A103417 [2,0,0,0,0,0|0,1,0]=3 480 B5R0.4 CCC(C)(C)O A103418 [2,0,0,0,0,0|0,1,0]=3 481 B5R0.4 CCC(C)(C)O A103419 [2,0,0,0,0,0|0,1,0]=3 482 B5R0.4 CCC(C)(C)[O-] S140673 [2,0,0,0,0,0|0,1,0]=3 483 B5R0.4 CCC(C)(C)[O-] S432125 [2,0,0,0,0,0|0,1,0]=3 484 B5R0.4 CCC(C)(Cl)Cl D155312 [2,0,0,0,0,0|2,0,0]=4 485 B5R0.4 CC[N+](C)(C)C E156357 [2,0,0,0,0,0|2,0,0]=4 486 B5R0.4 CC[Si](C)(C)Cl D155943 [2,0,0,0,0,0|1,1,0]=4 487 B7R0.2 C(C(CN)O)C(=O)O S469570 [1,1,0,0,0,0|1,1,0]=4 488 B7R0.2 C(C(CO)N)C(=O)O H353181 [1,1,0,0,0,0|2,0,0]=4 489 B7R0.2 C(C(CO)N)C(=O)O S191379 [1,1,0,0,0,0|2,0,0]=4 490 B7R0.2 CC(=CC(=O)OC)C M102001 [1,1,0,0,0,0|0,0,2]=4 491 B7R0.2 CC(=O)CC(=O)OC M108598 [1,1,0,0,0,0|0,1,1]=4 492 B7R0.2 CC(=O)CC(=O)OC M108599 [1,1,0,0,0,0|0,1,1]=4 493 B7R0.2 CC(=O)CC(=O)OC M108601 [1,1,0,0,0,0|0,1,1]=4 494 B7R0.2 CC(C)CC(=NO)C M302141 [1,1,0,0,0,0|0,0,1]=3 495 B7R0.2 CC(C)CC(=O)OC M157988 [1,1,0,0,0,0|0,0,0]=2 496 B7R0.2 CC(C)CC(CO)N L117136 [1,1,0,0,0,0|1,0,1]=4 497 B7R0.2 CC(C)CC(CO)N S133878 [1,1,0,0,0,0|1,0,1]=4 498 B7R0.2 CC(C)NC(=O)C=C I106818 [1,1,0,0,0,0|1,0,1]=4 499 B7R0.2 CC(C)NC(=O)C=C P303215 [1,1,0,0,0,0|1,0,1]=4 500 B7R0.2 CC(C)NC(=O)C=C P432408 [1,1,0,0,0,0|1,0,1]=4 501 B7R0.2 CC(C)NC(=O)CBr B194928 [1,1,0,0,0,0|1,0,0]=3 502 B7R0.2 CC(C)OC(=O)C=C I589892 [1,1,0,0,0,0|1,0,1]=4 503 B7R0.2 CC(C)OC(=O)CCl I157694 [1,1,0,0,0,0|1,0,0]=3 504 B7R0.2 CC(CC(=O)OC)N R190811 [1,1,0,0,0,0|1,0,0]=3 505 B7R0.2 CC(CC(=O)OC)N S587134 [1,1,0,0,0,0|1,0,0]=3 506 B7R0.2 CC(CC(=O)OC)O H124084 [1,1,0,0,0,0|0,1,0]=3 507 B7R0.2 CC(CC(=O)OC)O H124101 [1,1,0,0,0,0|0,1,0]=3 508 B7R0.2 CC(CN(C)C)CCl D134652 [1,1,0,0,0,0|2,0,0]=4 509 B7R0.2 CCC(=O)CC(=O)C H192611 [1,1,0,0,0,0|0,1,1]=4 510 B7R0.2 CCC(=O)CC(C)C E156458 [1,1,0,0,0,0|0,0,0]=2 511 B7R0.2 CCC(=O)OC(C)C I157496 [1,1,0,0,0,0|1,0,0]=3 512 B7R0.2 CCC(C)CC(=O)O M109883 [1,1,0,0,0,0|1,0,0]=3 513 B7R0.2 CCC(C)CC(C)C D155187 [1,1,0,0,0,0|1,0,1]=4 514 B7R0.2 CCC(C)CC(C)N D135535 [1,1,0,0,0,0|1,0,1]=4 515 B7R0.2 CCC(C)OC(=O)C B108576 [1,1,0,0,0,0|1,0,0]=3 516 B7R0.2 CCC(C)OC(=O)C B108578 [1,1,0,0,0,0|1,0,0]=3 517 B7R0.2 CCC(C)OC(=O)Cl S189048 [1,1,0,0,0,0|2,0,0]=4 518 B7R0.2 CCC(CC(=O)O)N A191758 [1,1,0,0,0,0|2,0,0]=4 519 B7R0.2 CCC(CC(=O)O)N I167296 [1,1,0,0,0,0|2,0,0]=4 520 B7R0.2 CN(C)CC(=O)OC N304465 [1,1,0,0,0,0|1,0,0]=3 521 B7R0.16 CC(=O)C(C(=O)C)Cl C153944 [1,1,0,0,0,0|0,1,1]=4 522 B7R0.16 CC(C(C(=O)N)N)O S303459 [1,1,0,0,0,0|1,1,0]=4 523 B7R0.16 CC(C(C(=O)O)N)O L425658 [1,1,0,0,0,0|1,1,0]=4 524 B7R0.16 CC(C(C(=O)O)N)O L471819 [1,1,0,0,0,0|1,1,0]=4 525 B7R0.16 CC(C(C(=O)O)N)O S138236 [1,1,0,0,0,0|1,1,0]=4 526 B7R0.16 CC(C(C(=O)O)N)O S161020 [1,1,0,0,0,0|1,1,0]=4 527 B7R0.16 CC(C(C(=O)O)N)O T100459 [1,1,0,0,0,0|1,1,0]=4 528 B7R0.16 CC(C(C(=O)O)N)O T100954 [1,1,0,0,0,0|1,1,0]=4 529 B7R0.16 CC(C(C(=O)O)N)O T108221 [1,1,0,0,0,0|1,1,0]=4 530 B7R0.16 CC(C(C(=O)O)N)O T108222 [1,1,0,0,0,0|1,1,0]=4 531 B7R0.16 CC(C(C(=O)O)N)O T114829 [1,1,0,0,0,0|1,1,0]=4 532 B7R0.16 CC(C)C(=O)C(=O)O M194936 [1,1,0,0,0,0|1,0,1]=4 533 B7R0.16 CC(C)C(=O)C(=O)O M425860 [1,1,0,0,0,0|1,0,1]=4 534 B7R0.16 CC(C)C(=O)C(=O)[O-] C405686 [1,1,0,0,0,0|1,0,1]=4 535 B7R0.16 CC(C)C(=O)C(=O)[O-] K474034 [1,1,0,0,0,0|1,0,1]=4 536 B7R0.16 CC(C)C(=O)C(=O)[O-] S169975 [1,1,0,0,0,0|1,0,1]=4 537 B7R0.16 CC(C)C(C(=O)N)N S132765 [1,1,0,0,0,0|1,0,0]=3 538 B7R0.16 CC(C)C(C(=O)N)N V117016 [1,1,0,0,0,0|1,0,0]=3 539 B7R0.16 CC(C)C(C(=O)O)Br B101869 [1,1,0,0,0,0|1,0,0]=3 540 B7R0.16 CC(C)C(C(=O)O)Br B102423 [1,1,0,0,0,0|1,0,0]=3 541 B7R0.16 CC(C)C(C(=O)O)N L358417 [1,1,0,0,0,0|1,0,0]=3 542 B7R0.16 CC(C)C(C(=O)O)N L425655 [1,1,0,0,0,0|1,0,0]=3 543 B7R0.16 CC(C)C(C(=O)O)N V101067 [1,1,0,0,0,0|1,0,0]=3 544 B7R0.16 CC(C)C(C(=O)O)N V103487 [1,1,0,0,0,0|1,0,0]=3 545 B7R0.16 CC(C)C(C(=O)O)N V104896 [1,1,0,0,0,0|1,0,0]=3 546 B7R0.16 CC(C)C(C(=O)O)N V139523 [1,1,0,0,0,0|1,0,0]=3 547 B7R0.16 CC(C)C(C(=O)O)O H137225 [1,1,0,0,0,0|1,0,0]=3 548 B7R0.16 CC(C)C(C(=O)O)O S167911 [1,1,0,0,0,0|1,0,0]=3 549 B7R0.16 CC(C)C(C(C)C)O D154153 [1,1,0,0,0,0|1,0,1]=4 550 B7R0.16 CC(C)C(C)C(C)C T161705 [1,1,0,0,0,0|1,0,1]=4 551 B7R0.8 CC(C)(C)NCC=C N405609 [1,1,0,0,0,0|1,0,1]=4 552 B7R0.8 CCCCC(C)(C)C D106282 [1,1,0,0,0,0|1,0,1]=4 553 B7R0.8 CCCCC(C)(C)O M157782 [1,1,0,0,0,0|0,1,1]=4 554 B7R0.11 CC(C)(CC=C)C=O D299504 [1,1,0,0,0,0|0,1,1]=4 555 B7R0.11 CCCC(C)(C)C#N D154620 [1,1,0,0,0,0|1,0,1]=4 556 B7R0.13 CC(C)(C#N)C(=O)O C483479 [0,1,0,0,1,0|2,0,0]=4 557 B7R0.13 CC(C)(C(=O)O)NC M464376 [0,1,0,0,1,0|2,0,0]=4 558 B7R0.13 CC(C)(CCl)C(=O)Cl C108717 [0,1,0,0,1,0|2,0,0]=4 559 B7R0.13 CC(C)(CCl)C(=O)O C153460 [0,1,0,0,1,0|2,0,0]=4 560 B7R0.13 CC(C)(CF)C(=O)O F194366 [0,1,0,0,1,0|2,0,0]=4 561 B7R0.13 CC(C)(CN)C(=O)N A176132 [0,1,0,0,1,0|2,0,0]=4 562 B7R0.13 CC(C)(CO)C(=O)O H138895 [0,1,0,0,1,0|1,1,0]=4 563 B7R0.13 CC(CBr)(C(=O)O)O R160936 [0,1,0,0,1,0|1,1,0]=4 564 B7R0.13 CC(CO)(C(=O)O)N A118304 [0,1,0,0,1,0|2,0,0]=4 565 B7R0.13 CCC(C)(C(=O)O)N H353441 [0,1,0,0,1,0|2,0,0]=4 566 B7R0.13 CCC(C)(C(=O)O)N I118303 [0,1,0,0,1,0|2,0,0]=4 567 B7R0.13 CCC(C)(C(=O)O)O H133323 [0,1,0,0,1,0|1,1,0]=4 568 B7R0.13 CCC(C)(C)C(=O)Cl D128094 [0,1,0,0,1,0|2,0,0]=4 569 B7R0.13 CCC(C)(C)C(=O)O D102023 [0,1,0,0,1,0|2,0,0]=4 570 B9R0.10 CC(=O)CC(=O)C(C)(C)C D139227 [0,1,0,0,0,1|1,0,0]=3 571 B9R0.10 CC(C)(C)C(CC(=O)O)N B301216 [0,1,0,0,0,1|2,0,0]=4 572 B9R0.57 CC(C)(C)CC(C(=O)O)N H187615 [0,1,0,0,0,1|2,0,0]=4 573 B9R0.57 CC(C)(C)CC(C(=O)O)N S136939 [0,1,0,0,0,1|2,0,0]=4 574 B9R0.22 CC(C)(CC(=O)OC)C=C M133963 [0,2,0,0,0,0|1,0,0]=3 575 B9R0.25 CC(C)(C)C(C(=O)NC)N L354316 [0,2,0,0,0,0|1,0,0]=3 576 B9R0.25 CC(C)(C)C(C(=O)OC)N L124562 [0,2,0,0,0,0|1,0,0]=3 577 B9R0.25 CC(C)(C)C(C(=O)OC)N S161274 [0,2,0,0,0,0|1,0,0]=3 578 B9R0.25 CC(C)(C)C(C(=O)OC)O M586608 [0,2,0,0,0,0|1,0,0]=3 579 B9R0.44 CC(C)(C)OC(=O)CC#N T121626 [0,2,0,0,0,0|2,0,0]=4 580 B9R0.44 CC(C)(C)OC(=O)CC=C T102083 [0,2,0,0,0,0|2,0,0]=4 581 B9R0.44 CC(C)(C)OC(=O)CCN A136410 [0,2,0,0,0,0|2,0,0]=4 582 B9R0.44 CC(C)(C)OC(=O)CCN T191093 [0,2,0,0,0,0|2,0,0]=4 583 B9R0.44 CC(C)(C)OC(=O)CCO T334144 [0,2,0,0,0,0|2,0,0]=4 584 B9R0.44 CC(C)(C)OC(=O)CNC H190704 [0,2,0,0,0,0|2,0,0]=4 585 B9R0.44 CC(C)(C)OC(=O)CNC S117106 [0,2,0,0,0,0|2,0,0]=4 586 B9R0.44 CC(C)(C)OC(=O)C[N+]#[C-] I169215 [0,2,0,0,0,0|2,0,0]=4 587 B9R0.44 CC(CC=O)CC(C)(C)C T113592 [0,2,0,0,0,0|1,0,1]=4 588 B9R0.44 CCOC(=O)CC(C)(C)C E156145 [0,2,0,0,0,0|1,0,0]=3 589 B9R0.44 CCOC(=O)C[Si](C)(C)C E110223 [0,2,0,0,0,0|1,1,0]=4 590 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl A151622 [0,2,0,0,0,0|1,1,0]=4 591 B9R0.11 CC(C)(CC(=O)O)C(=O)O D107306 [0,2,0,0,0,0|1,1,0]=4 592 B9R0.58 CC(CCO)(CC(=O)[O-])O R337078 [0,2,0,0,0,0|1,1,0]=4 593 B9R0.63 CC(=O)CP(=O)(OC)OC D103067 [0,2,0,0,0,0|1,1,0]=4 594 B7R1.2 C1C(CNC1=O)N A587603 [1,0,0,1,0,0|2,0,0]=4 595 B7R1.2 C1C(CNC1=O)O H119311 [1,0,0,1,0,0|1,1,0]=4 596 B7R1.2 C1C(CNC1=O)O H119312 [1,0,0,1,0,0|1,1,0]=4 597 B7R1.2 C1C(CNC1=O)O H183207 [1,0,0,1,0,0|1,1,0]=4 598 B7R1.2 C1C(COC1=O)N R189910 [1,0,0,1,0,0|2,0,0]=4 599 B7R1.2 C1C(COC1=O)N S189909 [1,0,0,1,0,0|2,0,0]=4 600 B7R1.2 C1C(COC1=O)O H107941 [1,0,0,1,0,0|1,1,0]=4 601 B7R1.2 C1CC(=O)CC1=O C138777 [1,0,0,1,0,0|0,1,1]=4 602 B7R1.2 CC1=CC(=O)CC1 M109537 [1,0,0,1,0,0|0,0,2]=4 603 B7R1.2 CC1CCC(=O)C1 M113659 [1,0,0,1,0,0|0,0,0]=2 604 B7R1.2 CC1CCC(=O)N1 M158429 [1,0,0,1,0,0|1,0,0]=3 605 B7R1.2 CC1CCC(=O)O1 V106294 [1,0,0,1,0,0|1,0,0]=3 606 B7R1.2 CC1CCC(C1)O M351118 [1,0,0,1,0,0|0,0,2]=4 607 B7R1.2 CC1COC(=O)O1 P105723 [1,0,0,1,0,0|2,0,0]=4 608 B7R1.2 CC1COC(=O)O1 P105724 [1,0,0,1,0,0|2,0,0]=4 609 B7R1.2 CC1COC(=O)O1 P105725 [1,0,0,1,0,0|2,0,0]=4 610 B7R1.2 CC1COC(=O)O1 P105726 [1,0,0,1,0,0|2,0,0]=4 611 B7R1.2 CC1COC(=O)O1 P122960 [1,0,0,1,0,0|2,0,0]=4 612 B7R1.2 CC1COC(=O)O1 S135940 [1,0,0,1,0,0|2,0,0]=4 613 B7R1.2 CN1CCC(=O)C1 M343187 [1,0,0,1,0,0|1,0,0]=3 614 B7R1.12 C1C(C1F)C(=O)O F191156 [1,0,0,1,0,0|2,0,0]=4 615 B7R1.12 C1C(C1F)C(=O)O R586886 [1,0,0,1,0,0|2,0,0]=4 616 B7R1.12 C1C(C1F)C(=O)O R587591 [1,0,0,1,0,0|2,0,0]=4 617 B7R1.12 C1C(C1F)C(=O)O S587590 [1,0,0,1,0,0|2,0,0]=4 618 B7R1.12 CC1CC1C(=O)O M169350 [1,0,0,1,0,0|1,0,0]=3 619 B7R1.20 C1CC1CC(=O)O C134997 [1,0,0,1,0,0|1,0,0]=3 620 B7R1.14 CC1(CCCC1)N A468531 [1,0,0,1,0,0|1,0,1]=4 621 B7R1.14 CC1(CCCC1)O M101087 [1,0,0,1,0,0|0,1,1]=4 622 B7R1.14 CC1(CCCN1)C D176967 [1,0,0,1,0,0|1,0,1]=4 623 B7R1.14 CC1(CCNC1)C D177478 [1,0,0,1,0,0|2,0,0]=4 624 B7R1.14 CC1(CCNC1)O M172930 [1,0,0,1,0,0|1,1,0]=4 625 B7R1.14 CC1(COCN1)C D136350 [1,0,0,1,0,0|2,0,0]=4 626 B7R1.14 CC1(NCCS1)C D123034 [1,0,0,1,0,0|1,0,1]=4 627 B7R1.19 C1CC1(C(=O)N)N A176135 [0,0,0,1,1,0|2,0,0]=4 628 B7R1.19 C1CC1(C(=O)O)F F181343 [0,0,0,1,1,0|2,0,0]=4 629 B7R1.19 C1CC1(C(=O)O)N A101238 [0,0,0,1,1,0|2,0,0]=4 630 B7R1.19 C1CC1(C(=O)O)N A102433 [0,0,0,1,1,0|2,0,0]=4 631 B7R1.19 C1CC1(C(=O)O)N A422646 [0,0,0,1,1,0|2,0,0]=4 632 B7R1.19 CC(=O)C1(CC1)C M342570 [0,0,0,1,1,0|1,0,0]=3 633 B7R1.19 CC1(CC1)C(=O)O M158058 [0,0,0,1,1,0|2,0,0]=4 634 B9R1.10 C1CC(CCC1=O)(F)F W135372 [0,0,0,1,0,1|2,0,0]=4 635 B9R1.10 CC1(CCC(=O)C=C1)C D154373 [0,0,0,1,0,1|1,0,1]=4 636 B9R1.10 CC1(CCC(=O)CC1)C D120758 [0,0,0,1,0,1|1,0,0]=3 637 B9R1.10 CC1(OCC(=O)CO1)C D155926 [0,0,0,1,0,1|0,1,0]=3 638 B9R1.66 CC1(CCCC(=O)C1)C D138628 [0,1,0,1,0,0|1,0,0]=3 639 B9R1.66 CC1(CCOC(=O)C1)O D304342 [0,1,0,1,0,0|0,1,0]=3 640 B9R1.138 CC1(COC(=O)C1O)C P122332 [0,1,0,1,0,0|2,0,0]=4 641 B9R1.138 CC1(COC(=O)C1O)C S138963 [0,1,0,1,0,0|2,0,0]=4 642 B9R1.138 CC1(COC(=O)C1O)C S161101 [0,1,0,1,0,0|2,0,0]=4 643 B9R1.38 CC1(CC(=O)OC1=O)C D107597 [0,1,0,1,0,0|1,1,0]=4 644 B9R1.128 C1CC1(CC(=O)O)CS M158214 [0,1,0,1,0,0|1,0,0]=3 645 B9R2.143 C1CC12CC2C(=O)O S174950 [0,0,0,2,0,0|2,0,0]=4 646 B5R0.5 CC(=C(C)C)C D107648 [1,0,0,0,1,0|1,0,1]=4 647 B5R0.5 CC(=C)C(=O)C I107938 [1,0,0,0,1,0|0,0,2]=4 648 B5R0.5 CC(=O)C(=O)C B104601 [1,0,0,0,1,0|0,1,1]=4 649 B5R0.5 CC(=O)C(=O)C B104602 [1,0,0,0,1,0|0,1,1]=4 650 B5R0.5 CC(=O)C(=O)C B104603 [1,0,0,0,1,0|0,1,1]=4 651 B5R0.5 CC(=O)C(=O)C B432715 [1,0,0,0,1,0|0,1,1]=4 652 B5R0.5 CC(=O)N(C)C D108094 [1,0,0,0,1,0|1,0,0]=3 653 B5R0.5 CC(=O)N(C)C D108095 [1,0,0,0,1,0|1,0,0]=3 654 B5R0.5 CC(=O)N(C)C D108096 [1,0,0,0,1,0|1,0,0]=3 655 B5R0.5 CC(=O)N(C)C D108098 [1,0,0,0,1,0|1,0,0]=3 656 B5R0.5 CC(=O)N(C)C D108099 [1,0,0,0,1,0|1,0,0]=3 657 B5R0.5 CC(=O)N(C)C D108100 [1,0,0,0,1,0|1,0,0]=3 658 B5R0.5 CC(=O)N(C)C D119664 [1,0,0,0,1,0|1,0,0]=3 659 B5R0.5 CC(=O)N(C)C D121274 [1,0,0,0,1,0|1,0,0]=3 660 B5R0.5 CC(=S)N(C)C N140450 [1,0,0,0,1,0|1,1,0]=4 661 B5R0.5 CC(C(=O)Br)Br B106918 [1,0,0,0,1,0|2,0,0]=4 662 B5R0.5 CC(C(=O)C)Br B195163 [1,0,0,0,1,0|1,0,0]=3 663 B5R0.5 CC(C(=O)C)Cl C136316 [1,0,0,0,1,0|1,0,0]=3 664 B5R0.5 CC(C(=O)C)N A168580 [1,0,0,0,1,0|1,0,0]=3 665 B5R0.5 CC(C(=O)C)O A109410 [1,0,0,0,1,0|0,1,0]=3 666 B5R0.5 CC(C(=O)C)O A109411 [1,0,0,0,1,0|0,1,0]=3 667 B5R0.5 CC(C(=O)C)S M102955 [1,0,0,0,1,0|0,0,0]=2 668 B5R0.5 CC(C(=O)Cl)Br B119905 [1,0,0,0,1,0|2,0,0]=4 669 B5R0.5 CC(C(=O)Cl)Cl C102420 [1,0,0,0,1,0|2,0,0]=4 670 B5R0.5 CC(C(=O)Cl)Cl C401784 [1,0,0,0,1,0|2,0,0]=4 671 B5R0.5 CC(C(=O)N)Br B474352 [1,0,0,0,1,0|2,0,0]=4 672 B5R0.5 CC(C(=O)N)Cl C169221 [1,0,0,0,1,0|2,0,0]=4 673 B5R0.5 CC(C(=O)N)N A117207 [1,0,0,0,1,0|2,0,0]=4 674 B5R0.5 CC(C(=O)N)N H589984 [1,0,0,0,1,0|2,0,0]=4 675 B5R0.5 CC(C(=O)N)N R192946 [1,0,0,0,1,0|2,0,0]=4 676 B5R0.5 CC(C(=O)N)O R139052 [1,0,0,0,1,0|1,1,0]=4 677 B5R0.5 CC(C(=O)N)O S469819 [1,0,0,0,1,0|1,1,0]=4 678 B5R0.5 CC(C(=O)O)Br B106080 [1,0,0,0,1,0|2,0,0]=4 679 B5R0.5 CC(C(=O)O)Br B106920 [1,0,0,0,1,0|2,0,0]=4 680 B5R0.5 CC(C(=O)O)Br R160937 [1,0,0,0,1,0|2,0,0]=4 681 B5R0.5 CC(C(=O)O)Cl C106527 [1,0,0,0,1,0|2,0,0]=4 682 B5R0.5 CC(C(=O)O)Cl C109467 [1,0,0,0,1,0|2,0,0]=4 683 B5R0.5 CC(C(=O)O)Cl C140796 [1,0,0,0,1,0|2,0,0]=4 684 B5R0.5 CC(C(=O)O)Cl R160939 [1,0,0,0,1,0|2,0,0]=4 685 B5R0.5 CC(C(=O)O)F F469437 [1,0,0,0,1,0|2,0,0]=4 686 B5R0.5 CC(C(=O)O)N A100051 [1,0,0,0,1,0|2,0,0]=4 687 B5R0.5 CC(C(=O)O)N A108263 [1,0,0,0,1,0|2,0,0]=4 688 B5R0.5 CC(C(=O)O)N A109095 [1,0,0,0,1,0|2,0,0]=4 689 B5R0.5 CC(C(=O)O)N A117757 [1,0,0,0,1,0|2,0,0]=4 690 B5R0.5 CC(C(=O)O)N A117758 [1,0,0,0,1,0|2,0,0]=4 691 B5R0.5 CC(C(=O)O)N A118860 [1,0,0,0,1,0|2,0,0]=4 692 B5R0.5 CC(C(=O)O)N D423466 [1,0,0,0,1,0|2,0,0]=4 693 B5R0.5 CC(C(=O)O)N D472023 [1,0,0,0,1,0|2,0,0]=4 694 B5R0.5 CC(C(=O)O)N D474151 [1,0,0,0,1,0|2,0,0]=4 695 B5R0.5 CC(C(=O)O)N L424776 [1,0,0,0,1,0|2,0,0]=4 696 B5R0.5 CC(C(=O)O)N S432937 [1,0,0,0,1,0|2,0,0]=4 697 B5R0.5 CC(C(=O)O)O L107595 [1,0,0,0,1,0|1,1,0]=4 698 B5R0.5 CC(C(=O)O)O L107596 [1,0,0,0,1,0|1,1,0]=4 699 B5R0.5 CC(C(=O)O)O L108839 [1,0,0,0,1,0|1,1,0]=4 700 B5R0.5 CC(C(=O)O)O L108841 [1,0,0,0,1,0|1,1,0]=4 701 B5R0.5 CC(C(=O)O)O L122089 [1,0,0,0,1,0|1,1,0]=4 702 B5R0.5 CC(C(=O)O)O L122090 [1,0,0,0,1,0|1,1,0]=4 703 B5R0.5 CC(C(=O)O)O L291729 [1,0,0,0,1,0|1,1,0]=4 704 B5R0.5 CC(C(=O)O)O L291730 [1,0,0,0,1,0|1,1,0]=4 705 B5R0.5 CC(C(=O)O)O L291731 [1,0,0,0,1,0|1,1,0]=4 706 B5R0.5 CC(C(=O)O)O L291732 [1,0,0,0,1,0|1,1,0]=4 707 B5R0.5 CC(C(=O)O)O L425989 [1,0,0,0,1,0|1,1,0]=4 708 B5R0.5 CC(C(=O)O)O P169115 [1,0,0,0,1,0|1,1,0]=4 709 B5R0.5 CC(C(=O)O)O S161106 [1,0,0,0,1,0|1,1,0]=4 710 B5R0.5 CC(C(=O)O)S T162374 [1,0,0,0,1,0|1,0,0]=3 711 B5R0.5 CC(C(=O)[O-])O A303861 [1,0,0,0,1,0|1,1,0]=4 712 B5R0.5 CC(C(=O)[O-])O C110506 [1,0,0,0,1,0|1,1,0]=4 713 B5R0.5 CC(C(=O)[O-])O C304709 [1,0,0,0,1,0|1,1,0]=4 714 B5R0.5 CC(C(=O)[O-])O D304649 [1,0,0,0,1,0|1,1,0]=4 715 B5R0.5 CC(C(=O)[O-])O I350723 [1,0,0,0,1,0|1,1,0]=4 716 B5R0.5 CC(C(=O)[O-])O L104219 [1,0,0,0,1,0|1,1,0]=4 717 B5R0.5 CC(C(=O)[O-])O L133140 [1,0,0,0,1,0|1,1,0]=4 718 B5R0.5 CC(C(=O)[O-])O M305218 [1,0,0,0,1,0|1,1,0]=4 719 B5R0.5 CC(C(=O)[O-])O P113770 [1,0,0,0,1,0|1,1,0]=4 720 B5R0.5 CC(C(=O)[O-])O P305067 [1,0,0,0,1,0|1,1,0]=4 721 B5R0.5 CC(C(=O)[O-])O S108837 [1,0,0,0,1,0|1,1,0]=4 722 B5R0.5 CC(C(=O)[O-])O S108838 [1,0,0,0,1,0|1,1,0]=4 723 B5R0.5 CC(C(=O)[O-])O S301759 [1,0,0,0,1,0|1,1,0]=4 724 B5R0.5 CC(C(=O)[O-])O S302327 [1,0,0,0,1,0|1,1,0]=4 725 B5R0.5 CC(C(=O)[O-])O S334655 [1,0,0,0,1,0|1,1,0]=4 726 B5R0.5 CC(C(=O)[O-])O S426464 [1,0,0,0,1,0|1,1,0]=4 727 B5R0.5 CC(C(=O)[O-])O S465689 [1,0,0,0,1,0|1,1,0]=4 728 B5R0.5 CC(C(C)S)O M102962 [1,0,0,0,1,0|0,0,2]=4 729 B5R0.5 CC(C(C)S)O M158761 [1,0,0,0,1,0|0,0,2]=4 730 B5R0.5 CC(C(C)S)S B102921 [1,0,0,0,1,0|0,1,1]=4 731 B5R0.5 CC(C)C(=C)C D101515 [1,0,0,0,1,0|1,0,0]=3 732 B5R0.5 CC(C)C(=N)N I335550 [1,0,0,0,1,0|2,0,0]=4 733 B5R0.5 CC(C)C(=O)C M103677 [1,0,0,0,1,0|0,0,0]=2 734 B5R0.5 CC(C)C(=O)C M103678 [1,0,0,0,1,0|0,0,0]=2 735 B5R0.5 CC(C)C(=O)Cl I107549 [1,0,0,0,1,0|1,0,0]=3 736 B5R0.5 CC(C)C(=O)N I157612 [1,0,0,0,1,0|1,0,0]=3 737 B5R0.5 CC(C)C(=O)O I103521 [1,0,0,0,1,0|1,0,0]=3 738 B5R0.5 CC(C)C(=O)O I103522 [1,0,0,0,1,0|1,0,0]=3 739 B5R0.5 CC(C)C(=O)O I103524 [1,0,0,0,1,0|1,0,0]=3 740 B5R0.5 CC(C)C(=O)O I303334 [1,0,0,0,1,0|1,0,0]=3 741 B5R0.5 CC(C)C(=O)O I434199 [1,0,0,0,1,0|1,0,0]=3 742 B5R0.5 CC(C)C(=O)[O-] P160181 [1,0,0,0,1,0|1,0,0]=3 743 B5R0.5 CC(C)C(=S)N T140153 [1,0,0,0,1,0|1,1,0]=4 744 B5R0.5 CC(C)C(C)C D106276 [1,0,0,0,1,0|1,0,1]=4 745 B5R0.5 CC(C)C(C)C D106277 [1,0,0,0,1,0|1,0,1]=4 746 B5R0.5 CC(C)C(C)C D106278 [1,0,0,0,1,0|1,0,1]=4 747 B5R0.5 CC(C)C(C)N A100617 [1,0,0,0,1,0|1,0,1]=4 748 B5R0.5 CC(C)C(C)N D101300 [1,0,0,0,1,0|1,0,1]=4 749 B5R0.5 CC(C)C(C)O M158745 [1,0,0,0,1,0|0,0,2]=4 750 B5R0.5 CC(C)C(C)S M103138 [1,0,0,0,1,0|0,1,1]=4 751 B5R0.5 CC(C)N(C)C N159099 [1,0,0,0,1,0|2,0,0]=4 752 B5R0.5 CC(C)[N+](=O)[O-] N107506 [1,0,0,0,1,0|2,0,0]=4 753 B5R0.5 CC(C)[Si](C)C D356950 [1,0,0,0,1,0|1,1,0]=4 754 B5R0.5 CN(C)C(=O)Cl D106525 [1,0,0,0,1,0|2,0,0]=4 755 B5R0.5 CN(C)C(=O)N D155381 [1,0,0,0,1,0|2,0,0]=4 756 B7R0.6 CC(=C)COC(=O)C M158238 [1,0,0,0,0,1|0,0,2]=4 757 B7R0.6 CC(=O)CCC(=O)C H106697 [1,0,0,0,0,1|0,1,1]=4 758 B7R0.6 CC(=O)CCC(=O)C H106698 [1,0,0,0,0,1|0,1,1]=4 759 B7R0.6 CC(=O)CCC(=O)C H106699 [1,0,0,0,0,1|0,1,1]=4 760 B7R0.6 CC(=O)COC(=O)C A151657 [1,0,0,0,0,1|0,1,1]=4 761 B7R0.6 CC(=O)OCC(F)F D154397 [1,0,0,0,0,1|2,0,0]=4 762 B7R0.6 CC(C)C=CC(=O)C M170732 [1,0,0,0,0,1|0,0,1]=3 763 B7R0.6 CC(C)C=CC(=O)O M158379 [1,0,0,0,0,1|1,0,1]=4 764 B7R0.6 CC(C)CC=C(C)C D155272 [1,0,0,0,0,1|1,0,0]=3 765 B7R0.6 CC(C)CCC(=C)C D155278 [1,0,0,0,0,1|1,0,0]=3 766 B7R0.6 CC(C)CCC(=O)C M106666 [1,0,0,0,0,1|0,0,0]=2 767 B7R0.6 CC(C)CCC(=O)Cl M158759 [1,0,0,0,0,1|1,0,0]=3 768 B7R0.6 CC(C)CCC(=O)O M117869 [1,0,0,0,0,1|1,0,0]=3 769 B7R0.6 CC(C)CCC(C)C D155219 [1,0,0,0,0,1|1,0,1]=4 770 B7R0.6 CC(C)CCC(C)N W299301 [1,0,0,0,0,1|1,0,1]=4 771 B7R0.6 CC(C)CCC(C)O M157779 [1,0,0,0,0,1|0,0,2]=4 772 B7R0.6 CC(C)COC(=O)C I110418 [1,0,0,0,0,1|0,0,0]=2 773 B7R0.6 CC(C)COC(=O)C I110419 [1,0,0,0,0,1|0,0,0]=2 774 B7R0.6 CC(C)COC(=O)Cl I105738 [1,0,0,0,0,1|1,0,0]=3 775 B7R0.6 CC(C)CO[N+](=O)[O-] I334869 [1,0,0,0,0,1|2,0,0]=4 776 B7R0.6 CC(C)NNC(=O)C N193444 [1,0,0,0,0,1|1,0,0]=3 777 B7R0.6 CC(C)OCC(C)O I404594 [1,0,0,0,0,1|0,0,2]=4 778 B7R0.6 CN(C)CCC(=O)O D132248 [1,0,0,0,0,1|2,0,0]=4 779 B7R0.6 C[S+](C)CCC(=O)O C153876 [1,0,0,0,0,1|2,0,0]=4 780 B9R0.56 CC(=O)OCC[N+](C)(C)C A106023 [0,0,0,0,0,2|2,0,0]=4 781 B9R0.56 CC(=O)OCC[N+](C)(C)C A111014 [0,0,0,0,0,2|2,0,0]=4 782 B9R0.56 CC(=O)OCC[N+](C)(C)C A111015 [0,0,0,0,0,2|2,0,0]=4 783 B9R0.56 CC(=O)OCC[N+](C)(C)C A111033 [0,0,0,0,0,2|2,0,0]=4 784 B9R0.56 CC(=O)OCC[N+](C)(C)C A425009 [0,0,0,0,0,2|2,0,0]=4 785 B9R0.56 CC(=O)SCC[N+](C)(C)C A100869 [0,0,0,0,0,2|2,0,0]=4 786 B9R0.56 CC(=O)SCC[N+](C)(C)C A113536 [0,0,0,0,0,2|2,0,0]=4