0 B9R0.7 C(C(=O)O)NC(=O)C(=O)O N341017 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.7 C(C(C(=O)O)N)NC(=O)N L344148 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.7 C(CC(=O)N)C(C(=O)N)N L355054 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.7 C(CC(=O)N)C(C(=O)O)N D107632 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.7 C(CC(=O)N)C(C(=O)O)N D424964 [0,0,0,0,0,0|1,0,0]=1 5 B9R0.7 C(CC(=O)N)C(C(=O)O)N D425535 [0,0,0,0,0,0|1,0,0]=1 6 B9R0.7 C(CC(=O)N)C(C(=O)O)N G105425 [0,0,0,0,0,0|1,0,0]=1 7 B9R0.7 C(CC(=O)N)C(C(=O)O)N L424801 [0,0,0,0,0,0|1,0,0]=1 8 B9R0.7 C(CC(=O)N)C(C(=O)O)N L432948 [0,0,0,0,0,0|1,0,0]=1 9 B9R0.7 C(CC(=O)N)C(C(=O)O)N L471811 [0,0,0,0,0,0|1,0,0]=1 10 B9R0.7 C(CC(=O)N)C(C(=O)O)N S161022 [0,0,0,0,0,0|1,0,0]=1 11 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K105570 [0,0,0,0,0,0|1,0,1]=2 12 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K105571 [0,0,0,0,0,0|1,0,1]=2 13 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K423350 [0,0,0,0,0,0|1,0,1]=2 14 B9R0.7 C(CC(=O)O)C(C(=O)O)N A590090 [0,0,0,0,0,0|0,0,0]=0 15 B9R0.7 C(CC(=O)O)C(C(=O)O)N G100444 [0,0,0,0,0,0|0,0,0]=0 16 B9R0.7 C(CC(=O)O)C(C(=O)O)N G103978 [0,0,0,0,0,0|0,0,0]=0 17 B9R0.7 C(CC(=O)O)C(C(=O)O)N G103979 [0,0,0,0,0,0|0,0,0]=0 18 B9R0.7 C(CC(=O)O)C(C(=O)O)N G107510 [0,0,0,0,0,0|0,0,0]=0 19 B9R0.7 C(CC(=O)O)C(C(=O)O)N G111546 [0,0,0,0,0,0|0,0,0]=0 20 B9R0.7 C(CC(=O)O)C(C(=O)O)N G111548 [0,0,0,0,0,0|0,0,0]=0 21 B9R0.7 C(CC(=O)O)C(C(=O)O)N G113196 [0,0,0,0,0,0|0,0,0]=0 22 B9R0.7 C(CC(=O)O)C(C(=O)O)N G117739 [0,0,0,0,0,0|0,0,0]=0 23 B9R0.7 C(CC(=O)O)C(C(=O)O)N G301751 [0,0,0,0,0,0|0,0,0]=0 24 B9R0.7 C(CC(=O)O)C(C(=O)O)N L424802 [0,0,0,0,0,0|0,0,0]=0 25 B9R0.7 C(CC(=O)O)C(C(=O)O)N P420080 [0,0,0,0,0,0|0,0,0]=0 26 B9R0.7 C(CC(=O)O)C(C(=O)O)N S161021 [0,0,0,0,0,0|0,0,0]=0 27 B9R0.7 C(CC(=O)[O-])C(=O)C(=O)[O-] D154292 [0,0,0,0,0,0|1,0,3]=4 28 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N L355121 [0,0,0,0,0,0|0,0,1]=1 29 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N L478518 [0,0,0,0,0,0|0,0,1]=1 30 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N S108801 [0,0,0,0,0,0|0,0,1]=1 31 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N S108802 [0,0,0,0,0,0|0,0,1]=1 32 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])N L465222 [0,0,0,0,0,0|0,0,2]=2 33 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O D420421 [0,0,0,0,0,0|1,0,2]=3 34 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O S135663 [0,0,0,0,0,0|1,0,2]=3 35 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O S137414 [0,0,0,0,0,0|1,0,2]=3 36 B9R0.7 CC(=O)OCC(C(=O)O)N O159915 [0,0,0,0,0,0|2,0,0]=2 37 B9R0.7 CC(=O)OCC(C(=O)O)N O303851 [0,0,0,0,0,0|2,0,0]=2 38 B9R0.7 CC(CCC(=O)O)C(=O)O M136432 [0,0,0,0,0,0|1,0,0]=1 39 B9R0.7 CS(=O)CCC(C(=O)O)N L134616 [0,0,0,0,0,0|2,0,0]=2 40 B9R0.7 CS(=O)CCC(C(=O)O)N S161195 [0,0,0,0,0,0|2,0,0]=2 41 B9R0.7 C[S+](C)CCC(C(=O)O)N L354322 [0,0,0,0,0,0|3,0,0]=3 42 B9R0.7 C[S+](C)CCC(C(=O)O)N S161187 [0,0,0,0,0,0|3,0,0]=3 43 B8R0.8 C(C(C(=O)O)N)N=[N+]=[N-] A463358 [1,0,0,0,0,0|3,0,0]=4 44 B8R0.8 C(CC(C(=O)O)N)CN L350090 [1,0,0,0,0,0|1,0,1]=3 45 B8R0.8 C(CC(C(=O)O)N)CN L413185 [1,0,0,0,0,0|1,0,1]=3 46 B8R0.8 C(CC(C(=O)O)N)CN L423300 [1,0,0,0,0,0|1,0,1]=3 47 B8R0.8 C(CC(C(=O)O)N)CN L425600 [1,0,0,0,0,0|1,0,1]=3 48 B8R0.8 C(CC(C(=O)O)N)CN L432617 [1,0,0,0,0,0|1,0,1]=3 49 B8R0.8 C(CC(C(=O)O)N)CN O101048 [1,0,0,0,0,0|1,0,1]=3 50 B8R0.8 C(CC(C(=O)O)N)CN O108803 [1,0,0,0,0,0|1,0,1]=3 51 B8R0.8 C(CC(C(=O)O)N)CN S161189 [1,0,0,0,0,0|1,0,1]=3 52 B8R0.8 C(CC(C(=O)O)N)CN S161190 [1,0,0,0,0,0|1,0,1]=3 53 B8R0.8 C(CC(C(=O)O)N)CN S589622 [1,0,0,0,0,0|1,0,1]=3 54 B8R0.8 CCCCC(C(=O)O)Br B152316 [1,0,0,0,0,0|2,0,1]=4 55 B8R0.8 CCCCC(C(=O)O)N L485252 [1,0,0,0,0,0|1,0,1]=3 56 B8R0.8 CCCCC(C(=O)O)N N105991 [1,0,0,0,0,0|1,0,1]=3 57 B8R0.8 CCCCC(C(=O)O)N N109230 [1,0,0,0,0,0|1,0,1]=3 58 B8R0.8 CCCCC(C(=O)O)N S136235 [1,0,0,0,0,0|1,0,1]=3 59 B8R0.8 CCCCC(C(=O)O)O H300379 [1,0,0,0,0,0|2,0,1]=4 60 B8R0.8 CCCCC(C(=O)O)O H425022 [1,0,0,0,0,0|2,0,1]=4 61 B8R0.8 CCCCC(C)C(=O)O M158388 [1,0,0,0,0,0|2,0,1]=4 62 B8R0.8 CCCCC(C)C(=O)O M424064 [1,0,0,0,0,0|2,0,1]=4 63 B8R0.8 CSCCC(C(=O)N)N S587494 [1,0,0,0,0,0|3,0,0]=4 64 B8R0.8 CSCCC(C(=O)O)N D423548 [1,0,0,0,0,0|2,0,0]=3 65 B8R0.8 CSCCC(C(=O)O)N D424961 [1,0,0,0,0,0|2,0,0]=3 66 B8R0.8 CSCCC(C(=O)O)N L133003 [1,0,0,0,0,0|2,0,0]=3 67 B8R0.8 CSCCC(C(=O)O)N L425234 [1,0,0,0,0,0|2,0,0]=3 68 B8R0.8 CSCCC(C(=O)O)N M101130 [1,0,0,0,0,0|2,0,0]=3 69 B8R0.8 CSCCC(C(=O)O)N M101131 [1,0,0,0,0,0|2,0,0]=3 70 B8R0.8 CSCCC(C(=O)O)N M104886 [1,0,0,0,0,0|2,0,0]=3 71 B8R0.8 CSCCC(C(=O)O)N M109223 [1,0,0,0,0,0|2,0,0]=3 72 B8R0.8 CSCCC(C(=O)O)O H194065 [1,0,0,0,0,0|3,0,0]=4 73 B8R0.8 C[Se]CCC(C(=O)O)N L423306 [1,0,0,0,0,0|2,0,0]=3 74 B8R0.8 C[Se]CCC(C(=O)O)N S130045 [1,0,0,0,0,0|2,0,0]=3 75 B8R0.8 C[Se]CCC(C(=O)O)N S161192 [1,0,0,0,0,0|2,0,0]=3 76 B8R0.9 C=CC(CCC(=O)O)N V136673 [1,0,0,0,0,0|1,0,0]=2 77 B8R0.9 CCC(C)CCC(=O)O M138303 [1,0,0,0,0,0|2,0,1]=4 78 B8R0.28 C(C(=O)Cl)OCC(=O)Cl O159911 [1,0,0,0,0,0|3,0,0]=4 79 B8R0.28 C(C(=O)N)OCC(=O)O A168692 [1,0,0,0,0,0|2,0,0]=3 80 B8R0.28 C(C(=O)O)NCC(=O)O I104451 [1,0,0,0,0,0|1,0,0]=2 81 B8R0.28 C(C(=O)O)OCC(=O)O D155445 [1,0,0,0,0,0|1,0,0]=2 82 B8R0.28 C(C(=O)O)SCC(=O)O T106634 [1,0,0,0,0,0|1,0,0]=2 83 B8R0.28 C(C(=O)[O-])NCC(=O)[O-] S168477 [1,0,0,0,0,0|1,0,2]=4 84 B8R0.28 C(CC(=O)Cl)CC(=O)Cl G109391 [1,0,0,0,0,0|2,0,0]=3 85 B8R0.28 C(CC(=O)N)CC(=O)O A169054 [1,0,0,0,0,0|1,0,0]=2 86 B8R0.28 C(CC(=O)O)CC(=O)O G103515 [1,0,0,0,0,0|0,0,0]=1 87 B8R0.28 C(CC(=O)O)CC(=O)O G103516 [1,0,0,0,0,0|0,0,0]=1 88 B8R0.28 C(CC(=O)O)CC(=O)O G420610 [1,0,0,0,0,0|0,0,0]=1 89 B8R0.28 C(CC(=O)[O-])CC(=O)[O-] D154294 [1,0,0,0,0,0|0,0,2]=3 90 B8R0.28 C(CN=C(N)N)C(=O)O D137194 [1,0,0,0,0,0|3,0,0]=4 91 B8R0.28 C(CNC(=O)N)C(=O)O U170466 [1,0,0,0,0,0|2,0,0]=3 92 B8R0.28 C(CNC(=O)N)C(=O)O U424088 [1,0,0,0,0,0|2,0,0]=3 93 B8R0.28 C(CSC(=N)N)C(=O)O I121960 [1,0,0,0,0,0|3,0,0]=4 94 B8R0.28 CC(=O)CCCC(=O)O O159987 [1,0,0,0,0,0|1,0,0]=2 95 B8R0.28 CC(=O)NCCC(=O)O N133308 [1,0,0,0,0,0|2,0,0]=3 96 B8R0.28 CC(=O)SCCC(=O)O A136318 [1,0,0,0,0,0|2,0,0]=3 97 B8R0.28 CC(C)CCCC(=O)O M158389 [1,0,0,0,0,0|2,0,1]=4 98 B8R0.28 CN(C)CCCC(=O)O D589906 [1,0,0,0,0,0|3,0,0]=4 99 B8R0.28 CN(C)CCCC(=O)O W133561 [1,0,0,0,0,0|3,0,0]=4 100 B10R0.43 C(CC(C(=O)O)(F)F)C(=O)O D193098 [0,1,0,0,0,0|1,0,0]=2 101 B10R0.43 CC(C)(CCC(=O)O)C(=O)O D102790 [0,1,0,0,0,0|1,0,0]=2 102 B10R0.57 CC(CSC(=O)C)C(=O)OC M158845 [0,1,0,0,0,0|3,0,0]=4 103 B10R0.57 COC(=O)C(CCC(=O)O)N G116980 [0,1,0,0,0,0|0,0,0]=1 104 B10R0.82 C(CC(=O)NO)C(C(=O)O)N L302676 [0,1,0,0,0,0|0,0,0]=1 105 B10R0.82 C(CC(C(=O)O)N)C(CN)O H112850 [0,1,0,0,0,0|1,0,1]=3 106 B10R0.82 COC(=O)CCC(C(=O)N)N S588448 [0,1,0,0,0,0|1,0,0]=2 107 B10R0.82 COC(=O)CCC(C(=O)O)N D351855 [0,1,0,0,0,0|0,0,0]=1 108 B10R0.82 COC(=O)CCC(C(=O)O)N G116984 [0,1,0,0,0,0|0,0,0]=1 109 B10R0.82 COC(=O)CCC(C(=O)O)N H194380 [0,1,0,0,0,0|0,0,0]=1 110 B10R0.84 CNC(CCC(=O)O)C(=O)O B301363 [0,1,0,0,0,0|0,0,0]=1 111 B10R0.84 CNC(CCC(=O)O)C(=O)O M140199 [0,1,0,0,0,0|0,0,0]=1 112 B10R0.92 C(C(C(=O)O)N)OP(=O)(O)O L423858 [0,1,0,0,0,0|2,0,0]=3 113 B10R0.92 C(C(C(=O)O)N)OP(=O)(O)O O350832 [0,1,0,0,0,0|2,0,0]=3 114 B10R0.92 C(C(C(=O)O)N)OP(=O)(O)O S161191 [0,1,0,0,0,0|2,0,0]=3 115 B10R0.92 C(C(C(=O)O)N)SS(=O)(=O)O L465016 [0,1,0,0,0,0|2,0,0]=3 116 B10R0.92 C(CP(=O)(O)O)C(C(=O)O)N D287137 [0,1,0,0,0,0|1,0,0]=2 117 B10R0.92 C(CP(=O)(O)O)C(C(=O)O)N L274683 [0,1,0,0,0,0|1,0,0]=2 118 B10R0.92 C(CP(=O)(O)O)C(C(=O)O)N x168370 [0,1,0,0,0,0|1,0,0]=2 119 B10R0.92 C(CS(=O)(=O)O)C(C(=O)O)N L486721 [0,1,0,0,0,0|1,0,0]=2 120 B10R0.92 C(CS(=O)(=O)O)C(C(=O)O)N S135161 [0,1,0,0,0,0|1,0,0]=2 121 B10R0.92 CP(=O)(CCC(C(=O)O)N)O G114499 [0,1,0,0,0,0|1,0,0]=2 122 B10R0.92 CS(=N)(=O)CCC(C(=O)O)N M111096 [0,1,0,0,0,0|2,0,0]=3 123 B10R0.92 CS(=O)(=O)CCC(C(=O)O)N L487257 [0,1,0,0,0,0|1,0,1]=3 124 B10R0.92 CS(=O)(=O)CCC(C(=O)O)N S161196 [0,1,0,0,0,0|1,0,1]=3 125 B10R0.93 C(C(C(=O)O)N)C(C(=O)O)O R465245 [0,1,0,0,0,0|0,0,0]=1 126 B10R0.93 CC(CC(C(=O)O)N)C(=O)O S288041 [0,1,0,0,0,0|0,0,0]=1 127 B10R1.13 C1CC(=O)CCC1C(=O)O O177831 [0,0,0,1,0,0|2,0,0]=3 128 B10R1.13 C1CC(=O)NN=C1C(=O)O T162653 [0,0,0,1,0,0|1,0,2]=4 129 B10R1.13 C1CC(CCC1C(=O)O)O C154122 [0,0,0,1,0,0|2,0,1]=4 130 B10R1.13 C1CC(CCC1C(=O)O)O H132286 [0,0,0,1,0,0|2,0,1]=4 131 B10R1.13 C1CC(CCC1C(=O)O)O T161443 [0,0,0,1,0,0|2,0,1]=4 132 B10R1.13 C1CC(NCC1O)C(=O)O S176988 [0,0,0,1,0,0|1,0,1]=3 133 B8R0.23 C(C(=O)C(=O)O)C(=O)O O107187 [0,0,0,0,1,0|1,0,1]=3 134 B8R0.23 C(C(C(=O)N)N)C(=O)O D182538 [0,0,0,0,1,0|1,0,0]=2 135 B8R0.23 C(C(C(=O)O)Br)C(=O)O B106958 [0,0,0,0,1,0|1,0,0]=2 136 B8R0.23 C(C(C(=O)O)N)C(=O)N A105949 [0,0,0,0,1,0|1,0,0]=2 137 B8R0.23 C(C(C(=O)O)N)C(=O)N A108223 [0,0,0,0,1,0|1,0,0]=2 138 B8R0.23 C(C(C(=O)O)N)C(=O)N A108224 [0,0,0,0,1,0|1,0,0]=2 139 B8R0.23 C(C(C(=O)O)N)C(=O)N A110994 [0,0,0,0,1,0|1,0,0]=2 140 B8R0.23 C(C(C(=O)O)N)C(=O)N A117781 [0,0,0,0,1,0|1,0,0]=2 141 B8R0.23 C(C(C(=O)O)N)C(=O)N A119452 [0,0,0,0,1,0|1,0,0]=2 142 B8R0.23 C(C(C(=O)O)N)C(=O)N D121586 [0,0,0,0,1,0|1,0,0]=2 143 B8R0.23 C(C(C(=O)O)N)C(=O)N L424868 [0,0,0,0,1,0|1,0,0]=2 144 B8R0.23 C(C(C(=O)O)N)C(=O)N L425606 [0,0,0,0,1,0|1,0,0]=2 145 B8R0.23 C(C(C(=O)O)N)C(=O)N L478521 [0,0,0,0,1,0|1,0,0]=2 146 B8R0.23 C(C(C(=O)O)N)C(=O)O A105951 [0,0,0,0,1,0|0,0,0]=1 147 B8R0.23 C(C(C(=O)O)N)C(=O)O A108708 [0,0,0,0,1,0|0,0,0]=1 148 B8R0.23 C(C(C(=O)O)N)C(=O)O A108860 [0,0,0,0,1,0|0,0,0]=1 149 B8R0.23 C(C(C(=O)O)N)C(=O)O A108861 [0,0,0,0,1,0|0,0,0]=1 150 B8R0.23 C(C(C(=O)O)N)C(=O)O A117776 [0,0,0,0,1,0|0,0,0]=1 151 B8R0.23 C(C(C(=O)O)N)C(=O)O A117777 [0,0,0,0,1,0|0,0,0]=1 152 B8R0.23 C(C(C(=O)O)N)C(=O)O A137730 [0,0,0,0,1,0|0,0,0]=1 153 B8R0.23 C(C(C(=O)O)N)C(=O)O A304400 [0,0,0,0,1,0|0,0,0]=1 154 B8R0.23 C(C(C(=O)O)N)C(=O)O L274318 [0,0,0,0,1,0|0,0,0]=1 155 B8R0.23 C(C(C(=O)O)N)C(=O)O L424798 [0,0,0,0,1,0|0,0,0]=1 156 B8R0.23 C(C(C(=O)O)N)C(=O)O L471827 [0,0,0,0,1,0|0,0,0]=1 157 B8R0.23 C(C(C(=O)O)N)C(=O)O L475308 [0,0,0,0,1,0|0,0,0]=1 158 B8R0.23 C(C(C(=O)O)N)C(=O)O L476204 [0,0,0,0,1,0|0,0,0]=1 159 B8R0.23 C(C(C(=O)O)N)C(=O)O M132322 [0,0,0,0,1,0|0,0,0]=1 160 B8R0.23 C(C(C(=O)O)N)C(=O)O P303238 [0,0,0,0,1,0|0,0,0]=1 161 B8R0.23 C(C(C(=O)O)N)C(=O)O S432943 [0,0,0,0,1,0|0,0,0]=1 162 B8R0.23 C(C(C(=O)O)N)C(=O)[O-] L182670 [0,0,0,0,1,0|0,0,1]=2 163 B8R0.23 C(C(C(=O)O)N)S(=O)O L288573 [0,0,0,0,1,0|1,0,0]=2 164 B8R0.23 C(C(C(=O)O)O)C(=O)O D425543 [0,0,0,0,1,0|1,0,0]=2 165 B8R0.23 C(C(C(=O)O)O)C(=O)O D433328 [0,0,0,0,1,0|1,0,0]=2 166 B8R0.23 C(C(C(=O)O)O)C(=O)O L427197 [0,0,0,0,1,0|1,0,0]=2 167 B8R0.23 C(C(C(=O)O)O)C(=O)O M101126 [0,0,0,0,1,0|1,0,0]=2 168 B8R0.23 C(C(C(=O)O)O)C(=O)O M105695 [0,0,0,0,1,0|1,0,0]=2 169 B8R0.23 C(C(C(=O)O)O)C(=O)O M105696 [0,0,0,0,1,0|1,0,0]=2 170 B8R0.23 C(C(C(=O)O)O)C(=O)O M109342 [0,0,0,0,1,0|1,0,0]=2 171 B8R0.23 C(C(C(=O)O)O)C(=O)O M119455 [0,0,0,0,1,0|1,0,0]=2 172 B8R0.23 C(C(C(=O)O)O)C(=O)O P160725 [0,0,0,0,1,0|1,0,0]=2 173 B8R0.23 C(C(C(=O)O)S)C(=O)O M109507 [0,0,0,0,1,0|1,0,0]=2 174 B8R0.23 C(C(C(=O)[O-])N)C(=O)O D465226 [0,0,0,0,1,0|0,0,1]=2 175 B8R0.23 C(C(C(=O)[O-])N)C(=O)O L193085 [0,0,0,0,1,0|0,0,1]=2 176 B8R0.23 C(C(C(=O)[O-])N)C(=O)O L465034 [0,0,0,0,1,0|0,0,1]=2 177 B8R0.23 C(C(C(=O)[O-])N)C(=O)O P160327 [0,0,0,0,1,0|0,0,1]=2 178 B8R0.23 C(C(C(=O)[O-])N)C(=O)O S169558 [0,0,0,0,1,0|0,0,1]=2 179 B8R0.23 C(C(C(=O)[O-])N)C(=O)[O-] D351328 [0,0,0,0,1,0|0,0,2]=3 180 B8R0.23 C(C(C(=O)[O-])N)C(=O)[O-] S193941 [0,0,0,0,1,0|0,0,2]=3 181 B8R0.23 C(C(C(=O)[O-])O)C(=O)[O-] C305183 [0,0,0,0,1,0|1,0,2]=4 182 B8R0.23 C(C(C(=O)[O-])O)C(=O)[O-] D154290 [0,0,0,0,1,0|1,0,2]=4 183 B8R0.23 C(C(C(=O)[O-])O)C(=O)[O-] D302750 [0,0,0,0,1,0|1,0,2]=4 184 B8R0.23 C(C(C(=O)[O-])O)C(=O)[O-] L332299 [0,0,0,0,1,0|1,0,2]=4 185 B8R0.23 C=C(CC(=O)O)C(=O)O I106139 [0,0,0,0,1,0|1,0,1]=3 186 B8R0.23 C=C(CC(=O)O)C(=O)O I106140 [0,0,0,0,1,0|1,0,1]=3 187 B8R0.23 CC(=CC(=O)O)C(=O)O C153469 [0,0,0,0,1,0|1,0,2]=4 188 B8R0.23 CC(=CC(=O)O)C(=O)O C424293 [0,0,0,0,1,0|1,0,2]=4 189 B8R0.23 CC(=CC(=O)O)C(=O)O M158069 [0,0,0,0,1,0|1,0,2]=4 190 B8R0.23 CC(C(=O)O)NC(=O)C A105813 [0,0,0,0,1,0|3,0,0]=4 191 B8R0.23 CC(C(=O)O)NC(=O)C A109205 [0,0,0,0,1,0|3,0,0]=4 192 B8R0.23 CC(C(=O)O)NC(=O)C A117196 [0,0,0,0,1,0|3,0,0]=4 193 B8R0.23 CC(C(=O)O)NC(=O)C A427198 [0,0,0,0,1,0|3,0,0]=4 194 B8R0.23 CC(C(=O)O)OC(=O)C A151194 [0,0,0,0,1,0|3,0,0]=4 195 B8R0.23 CC(C(=O)O)OC(=O)C R405630 [0,0,0,0,1,0|3,0,0]=4 196 B8R0.23 CC(C(=O)O)OC(=O)C S161041 [0,0,0,0,1,0|3,0,0]=4 197 B8R0.23 CC(C(CC(=O)O)N)O H352839 [0,0,0,0,1,0|1,0,1]=3 198 B8R0.23 CC(C)C(CC(=O)O)N L102509 [0,0,0,0,1,0|2,0,1]=4 199 B8R0.23 CC(C)C(CC(=O)O)N L182849 [0,0,0,0,1,0|2,0,1]=4 200 B8R0.23 CC(C)C(CC(=O)O)N R194939 [0,0,0,0,1,0|2,0,1]=4 201 B8R0.23 CC(C)C(CC(=O)O)N S193261 [0,0,0,0,1,0|2,0,1]=4 202 B8R0.23 CC(C)CC(C(=O)O)N L100046 [0,0,0,0,1,0|2,0,1]=4 203 B8R0.23 CC(C)CC(C(=O)O)N L104898 [0,0,0,0,1,0|2,0,1]=4 204 B8R0.23 CC(C)CC(C(=O)O)N L110997 [0,0,0,0,1,0|2,0,1]=4 205 B8R0.23 CC(C)CC(C(=O)O)N L117742 [0,0,0,0,1,0|2,0,1]=4 206 B8R0.23 CC(C)CC(C(=O)O)N L425126 [0,0,0,0,1,0|2,0,1]=4 207 B8R0.23 CC(C)CC(C(=O)O)N L433130 [0,0,0,0,1,0|2,0,1]=4 208 B8R0.23 CC(CC(=O)C)C(=O)O A151464 [0,0,0,0,1,0|2,0,0]=3 209 B8R0.23 CC(CC(=O)O)C(=O)C B152315 [0,0,0,0,1,0|2,0,0]=3 210 B8R0.23 CC(CC(=O)O)C(=O)O M101729 [0,0,0,0,1,0|1,0,0]=2 211 B8R0.23 CN(CC(=O)O)C(=O)N A344926 [0,0,0,0,1,0|3,0,0]=4 212 B8R0.23 CS(=O)CC(C(=O)O)N M106189 [0,0,0,0,1,0|2,0,0]=3 213 B10R0.96 C(CC(=O)O)C(CC(=O)O)N H117048 [0,0,0,0,0,1|0,0,0]=1 214 B10R0.96 CC(=O)CC(=O)CCC(=O)O S133736 [0,0,0,0,0,1|2,0,1]=4 215 B10R0.96 CC(CCC(=O)O)CC(=O)O M158387 [0,0,0,0,0,1|1,0,0]=2 216 B10R0.98 C(C(C(=O)O)N)SCC(=O)O S161422 [0,0,0,0,0,1|0,0,0]=1 217 B10R0.98 C(C(C(=O)O)N)SCC(=O)O S303159 [0,0,0,0,0,1|0,0,0]=1 218 B10R0.98 C(CC(C(=O)O)N)CC(=O)O A100535 [0,0,0,0,0,1|0,0,0]=1 219 B10R0.98 C(CC(C(=O)O)N)CC(=O)O A117161 [0,0,0,0,0,1|0,0,0]=1 220 B10R0.98 C(CC(C(=O)O)N)CC(=O)O A117210 [0,0,0,0,0,1|0,0,0]=1 221 B10R0.98 CC(=O)C(CCOC(=O)C)Cl A347912 [0,0,0,0,0,1|3,0,0]=4 222 B10R0.98 CC(=O)OCCC(C(=O)O)N O351769 [0,0,0,0,0,1|1,0,0]=2 223 B7R0.4 C#CCCCC(=O)O H111132 [2,0,0,0,0,0|1,0,1]=4 224 B7R0.4 C(CC#N)CC(=O)O C184246 [2,0,0,0,0,0|1,0,1]=4 225 B7R0.4 C(CCBr)CC(=O)O B106966 [2,0,0,0,0,0|1,0,1]=4 226 B7R0.4 C(CCCl)CC(=O)O C153468 [2,0,0,0,0,0|1,0,1]=4 227 B7R0.4 C(CCN)CC(=O)O A107493 [2,0,0,0,0,0|1,0,1]=4 228 B7R0.4 C(CCN)CC(=O)O A151151 [2,0,0,0,0,0|1,0,1]=4 229 B7R0.4 C(CCN)CC(=O)O A151349 [2,0,0,0,0,0|1,0,1]=4 230 B7R0.4 C(CCN)CC(=O)O A491891 [2,0,0,0,0,0|1,0,1]=4 231 B7R0.4 C(CCN)CC(=O)O A491894 [2,0,0,0,0,0|1,0,1]=4 232 B7R0.4 C(CCO)CC(=O)[O-] H184096 [2,0,0,0,0,0|0,0,2]=4 233 B7R0.4 C=CCCCC(=O)O H157078 [2,0,0,0,0,0|1,0,0]=3 234 B7R0.4 CCCCCC(=O)O H103630 [2,0,0,0,0,0|1,0,1]=4 235 B7R0.4 CCCCCC(=O)O H103631 [2,0,0,0,0,0|1,0,1]=4 236 B7R0.4 CCCCCC(=O)O H103632 [2,0,0,0,0,0|1,0,1]=4 237 B7R0.4 CCCCCC(=O)O H278778 [2,0,0,0,0,0|1,0,1]=4 238 B7R0.4 CCCCCC(=O)O H432079 [2,0,0,0,0,0|1,0,1]=4 239 B7R0.4 CNCCCC(=O)O M276212 [2,0,0,0,0,0|2,0,0]=4 240 B7R0.4 CNCCCC(=O)O M397624 [2,0,0,0,0,0|2,0,0]=4 241 B7R0.4 COCCCC(=O)O M192558 [2,0,0,0,0,0|2,0,0]=4 242 B7R0.5 C#CCC(C(=O)O)N D133969 [2,0,0,0,0,0|0,0,2]=4 243 B7R0.5 C#CCC(C(=O)O)N R192202 [2,0,0,0,0,0|0,0,2]=4 244 B7R0.5 C#CCC(C(=O)O)N R304808 [2,0,0,0,0,0|0,0,2]=4 245 B7R0.5 C#CCC(C(=O)O)N S168837 [2,0,0,0,0,0|0,0,2]=4 246 B7R0.5 C(CBr)C(C(=O)O)N A101191 [2,0,0,0,0,0|1,0,0]=3 247 B7R0.5 C(CN)C(C(=O)O)N D102446 [2,0,0,0,0,0|1,0,0]=3 248 B7R0.5 C(CN)C(C(=O)O)N D113499 [2,0,0,0,0,0|1,0,0]=3 249 B7R0.5 C(CN)C(C(=O)O)N D117019 [2,0,0,0,0,0|1,0,0]=3 250 B7R0.5 C(CN)C(C(=O)O)O H181248 [2,0,0,0,0,0|2,0,0]=4 251 B7R0.5 C(CN)C(C(=O)O)O S161042 [2,0,0,0,0,0|2,0,0]=4 252 B7R0.5 C(CO)C(C(=O)O)N H100541 [2,0,0,0,0,0|0,0,0]=2 253 B7R0.5 C(CO)C(C(=O)O)N H101557 [2,0,0,0,0,0|0,0,0]=2 254 B7R0.5 C(CO)C(C(=O)O)N H105430 [2,0,0,0,0,0|0,0,0]=2 255 B7R0.5 C(CO)C(C(=O)O)N L425384 [2,0,0,0,0,0|0,0,0]=2 256 B7R0.5 C(CS)C(C(=O)O)N H106297 [2,0,0,0,0,0|0,1,0]=3 257 B7R0.5 C(CS)C(C(=O)O)N L134501 [2,0,0,0,0,0|0,1,0]=3 258 B7R0.5 C=CCC(C(=O)O)N A115225 [2,0,0,0,0,0|0,0,1]=3 259 B7R0.5 C=CCC(C(=O)O)N D101189 [2,0,0,0,0,0|0,0,1]=3 260 B7R0.5 C=CCC(C(=O)O)N D107871 [2,0,0,0,0,0|0,0,1]=3 261 B7R0.5 C=CCC(C(=O)O)N S101123 [2,0,0,0,0,0|0,0,1]=3 262 B7R0.5 C=CCC(C(=O)O)N S161223 [2,0,0,0,0,0|0,0,1]=3 263 B7R0.5 CC(C(=O)O)NC=O N159048 [2,0,0,0,0,0|2,0,0]=4 264 B7R0.5 CC(CC=C)C(=O)O M111848 [2,0,0,0,0,0|1,0,1]=4 265 B7R0.5 CCCC(C(=O)O)Br B152768 [2,0,0,0,0,0|1,0,1]=4 266 B7R0.5 CCCC(C(=O)O)N N100542 [2,0,0,0,0,0|0,0,1]=3 267 B7R0.5 CCCC(C(=O)O)N N106191 [2,0,0,0,0,0|0,0,1]=3 268 B7R0.5 CCCC(C(=O)O)N N106215 [2,0,0,0,0,0|0,0,1]=3 269 B7R0.5 CCCC(C(=O)O)O S193305 [2,0,0,0,0,0|1,0,1]=4 270 B7R0.5 CCCC(C)C(=O)O B300596 [2,0,0,0,0,0|1,0,1]=4 271 B7R0.5 CCCC(C)C(=O)O M117868 [2,0,0,0,0,0|1,0,1]=4 272 B7R0.5 CCCC(C)C(=O)O M427193 [2,0,0,0,0,0|1,0,1]=4 273 B7R0.5 CNCC(C(=O)O)N S132658 [2,0,0,0,0,0|1,0,1]=4 274 B7R0.5 COCC(C(=O)O)N S135785 [2,0,0,0,0,0|1,0,1]=4 275 B7R0.5 CSCC(C(=O)O)N M116973 [2,0,0,0,0,0|1,0,1]=4 276 B7R0.5 C[Se]CC(C(=O)O)N S161277 [2,0,0,0,0,0|1,0,1]=4 277 B7R0.6 C(C(=O)O)NC(=O)N H157226 [2,0,0,0,0,0|1,0,1]=4 278 B7R0.6 C(CC(=O)N)C(=O)N S161127 [2,0,0,0,0,0|1,0,1]=4 279 B7R0.6 C(CC(=O)O)C(=O)O P111885 [2,0,0,0,0,0|1,0,1]=4 280 B7R0.6 C(CC(=O)O)C(=O)O S108852 [2,0,0,0,0,0|1,0,1]=4 281 B7R0.6 C(CC(=O)O)C(=O)O S108853 [2,0,0,0,0,0|1,0,1]=4 282 B7R0.6 C(CC(=O)O)C(=O)O S108854 [2,0,0,0,0,0|1,0,1]=4 283 B7R0.6 C(CC(=O)O)C(=O)O S108855 [2,0,0,0,0,0|1,0,1]=4 284 B7R0.6 C(CC(=O)O)C(=O)O S108856 [2,0,0,0,0,0|1,0,1]=4 285 B7R0.6 C(CC(=O)O)C(=O)O S303059 [2,0,0,0,0,0|1,0,1]=4 286 B7R0.6 C(CC(=O)O)C(=O)O S346179 [2,0,0,0,0,0|1,0,1]=4 287 B7R0.6 C(CC(=O)O)C(=O)O S420589 [2,0,0,0,0,0|1,0,1]=4 288 B7R0.6 C(CC(=O)O)C(=O)O S431423 [2,0,0,0,0,0|1,0,1]=4 289 B7R0.6 C(CC(=O)O)C(=O)O S431424 [2,0,0,0,0,0|1,0,1]=4 290 B7R0.6 C(CC(=O)O)C(=O)O S472090 [2,0,0,0,0,0|1,0,1]=4 291 B7R0.6 C(CC(=O)[O-])C(=O)O M158056 [2,0,0,0,0,0|1,0,1]=4 292 B7R0.6 C(C[N+](=O)[O-])C(=O)O N106587 [2,0,0,0,0,0|2,0,0]=4 293 B7R0.6 CC(=O)CCC(=O)O L104281 [2,0,0,0,0,0|1,0,1]=4 294 B7R0.6 CC(=O)CCC(=O)O L278641 [2,0,0,0,0,0|1,0,1]=4 295 B7R0.6 CC(=O)CCC(=O)O L298748 [2,0,0,0,0,0|1,0,1]=4 296 B7R0.6 CC(=O)CCC(=O)O L421026 [2,0,0,0,0,0|1,0,1]=4 297 B7R0.6 CC(C)CCC(=O)O M117869 [2,0,0,0,0,0|1,0,1]=4 298 B9R0.8 CCCCC(C(=O)OC)N D134849 [1,1,0,0,0,0|1,0,1]=4 299 B9R0.8 COC(=O)C(CCCN)N O116997 [1,1,0,0,0,0|1,0,1]=4 300 B9R0.8 COC(=O)C(CCSC)N M109222 [1,1,0,0,0,0|2,0,0]=4 301 B9R0.8 COC(=O)C(CCSC)N M587493 [1,1,0,0,0,0|2,0,0]=4 302 B9R0.47 C#CCSCC(C(=O)O)N R183709 [1,1,0,0,0,0|1,0,1]=4 303 B9R0.47 C(CCN)CC(C(=O)O)N D139442 [1,1,0,0,0,0|1,0,1]=4 304 B9R0.47 C(CCN)CC(C(=O)O)N D352421 [1,1,0,0,0,0|1,0,1]=4 305 B9R0.47 C(CCN)CC(C(=O)O)N D420109 [1,1,0,0,0,0|1,0,1]=4 306 B9R0.47 C(CCN)CC(C(=O)O)N L103479 [1,1,0,0,0,0|1,0,1]=4 307 B9R0.47 C(CCN)CC(C(=O)O)N L105432 [1,1,0,0,0,0|1,0,1]=4 308 B9R0.47 C(CCN)CC(C(=O)O)N L109219 [1,1,0,0,0,0|1,0,1]=4 309 B9R0.47 C(CCN)CC(C(=O)O)N L111313 [1,1,0,0,0,0|1,0,1]=4 310 B9R0.47 C(CCN)CC(C(=O)O)N L113005 [1,1,0,0,0,0|1,0,1]=4 311 B9R0.47 C(CCN)CC(C(=O)O)N L113006 [1,1,0,0,0,0|1,0,1]=4 312 B9R0.47 C(CCN)CC(C(=O)O)N L116990 [1,1,0,0,0,0|1,0,1]=4 313 B9R0.47 C(CCN)CC(C(=O)O)N L117216 [1,1,0,0,0,0|1,0,1]=4 314 B9R0.47 C(CCN)CC(C(=O)O)N L192467 [1,1,0,0,0,0|1,0,1]=4 315 B9R0.47 C(CCN)CC(C(=O)O)N L424803 [1,1,0,0,0,0|1,0,1]=4 316 B9R0.47 C(CCN)CC(C(=O)O)N L425318 [1,1,0,0,0,0|1,0,1]=4 317 B9R0.47 C(CCN)CC(C(=O)O)N L478519 [1,1,0,0,0,0|1,0,1]=4 318 B9R0.47 C(CCN)CC(C(=O)O)N L598932 [1,1,0,0,0,0|1,0,1]=4 319 B9R0.47 C(CCN)CC(C(=O)O)N P477773 [1,1,0,0,0,0|1,0,1]=4 320 B9R0.47 C(CCN)CC(C(=O)O)N P477795 [1,1,0,0,0,0|1,0,1]=4 321 B9R0.47 C(CCN)CC(C(=O)O)N P477809 [1,1,0,0,0,0|1,0,1]=4 322 B9R0.47 C(CCN)CC(C(=O)O)N S133419 [1,1,0,0,0,0|1,0,1]=4 323 B9R0.47 C(CCN)CC(C(=O)O)N S161260 [1,1,0,0,0,0|1,0,1]=4 324 B9R0.47 C(CCN)CC(C(=O)O)N S193835 [1,1,0,0,0,0|1,0,1]=4 325 B9R0.47 C(CN=[N+]=[N-])C(C(=O)O)N L287058 [1,1,0,0,0,0|2,0,0]=4 326 B9R0.47 C(CSCC(C(=O)O)N)N S170219 [1,1,0,0,0,0|1,0,1]=4 327 B9R0.47 C=CCSCC(C(=O)O)N I137523 [1,1,0,0,0,0|1,0,0]=3 328 B9R0.47 CCCCCC(C(=O)O)N D137428 [1,1,0,0,0,0|1,0,1]=4 329 B9R0.47 CCCCCC(C(=O)O)N S193453 [1,1,0,0,0,0|1,0,1]=4 330 B9R0.47 CCSCCC(C(=O)O)N E117217 [1,1,0,0,0,0|1,0,1]=4 331 B9R0.47 CCSCCC(C(=O)O)N E117218 [1,1,0,0,0,0|1,0,1]=4 332 B9R0.1 C=CC(=O)OCCC(=O)O C303186 [1,1,0,0,0,0|2,0,0]=4 333 B9R0.1 CC(=O)CCCC(=O)OC M299485 [1,1,0,0,0,0|1,0,0]=3 334 B9R0.1 COC(=O)CCCC(=O)Cl G104122 [1,1,0,0,0,0|1,0,0]=3 335 B9R0.1 COC(=O)CCCC(=O)O M102986 [1,1,0,0,0,0|0,0,0]=2 336 B9R0.1 COC(=O)CCC[N+](=O)[O-] N131960 [1,1,0,0,0,0|1,0,1]=4 337 B9R0.53 C(C(=O)CC(=O)O)C(=O)O A106799 [1,1,0,0,0,0|0,0,1]=3 338 B9R0.53 C(C(=O)CC(=O)O)C(=O)O A424629 [1,1,0,0,0,0|0,0,1]=3 339 B9R0.53 C(C(CC(=O)O)N)C(=O)O A191855 [1,1,0,0,0,0|0,0,0]=2 340 B9R0.53 C(C(CC(=O)O)N)C(=O)O G404504 [1,1,0,0,0,0|0,0,0]=2 341 B9R0.53 CC(CC(=O)O)CC(=O)O M158378 [1,1,0,0,0,0|0,0,0]=2 342 B9R0.53 CC(CC(=O)O)CC(=O)O M425178 [1,1,0,0,0,0|0,0,0]=2 343 B9R0.53 CN(CC(=O)O)CC(=O)O M129189 [1,1,0,0,0,0|1,0,0]=3 344 B9R0.56 C(C(=O)O)NCP(=O)(O)O G340900 [1,1,0,0,0,0|2,0,0]=4 345 B9R0.56 C(C(=O)O)NCP(=O)(O)O P109919 [1,1,0,0,0,0|2,0,0]=4 346 B9R0.56 C(C(=O)O)NCP(=O)(O)O P109922 [1,1,0,0,0,0|2,0,0]=4 347 B9R0.56 C(C(=O)O)NCP(=O)(O)O P123117 [1,1,0,0,0,0|2,0,0]=4 348 B9R0.11 CC(C)(CC(=O)O)C(=O)O D107306 [0,1,0,0,1,0|1,0,0]=3 349 B9R0.39 CNC(CC(=O)O)C(=O)O N129532 [0,1,0,0,1,0|0,0,0]=2 350 B9R0.39 CNC(CC(=O)O)C(=O)O N131805 [0,1,0,0,1,0|0,0,0]=2 351 B9R0.39 CNC(CC(=O)O)C(=O)O N276566 [0,1,0,0,1,0|0,0,0]=2 352 B9R0.39 CNC(CC(=O)O)C(=O)O N338153 [0,1,0,0,1,0|0,0,0]=2 353 B9R0.39 CNC(CC(O)=O)C(O)=O N407747 [0,1,0,0,1,0|0,0,0]=2 354 B9R0.57 C(C(C(=O)O)N)P(=O)(O)O D286664 [0,1,0,0,1,0|1,0,0]=3 355 B9R0.57 C(C(C(=O)O)N)S(=O)(=O)O S161224 [0,1,0,0,1,0|1,0,0]=3 356 B9R0.57 C(C(C(=O)O)N)S(=O)(=O)O S168870 [0,1,0,0,1,0|1,0,0]=3 357 B9R0.79 C(C(C(=O)O)Br)(C(=O)O)Br D106725 [0,1,0,0,1,0|1,0,0]=3 358 B9R0.79 C(C(C(=O)O)Br)(C(=O)O)Br D170796 [0,1,0,0,1,0|1,0,0]=3 359 B9R0.79 C(C(C(=O)O)O)(C(=O)O)N H157320 [0,1,0,0,1,0|0,0,0]=2 360 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O D115662 [0,1,0,0,1,0|1,0,0]=3 361 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O D134225 [0,1,0,0,1,0|1,0,0]=3 362 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O D421263 [0,1,0,0,1,0|1,0,0]=3 363 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O D421725 [0,1,0,0,1,0|1,0,0]=3 364 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O L426628 [0,1,0,0,1,0|1,0,0]=3 365 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O M158070 [0,1,0,0,1,0|1,0,0]=3 366 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O S115663 [0,1,0,0,1,0|1,0,0]=3 367 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T104048 [0,1,0,0,1,0|1,0,0]=3 368 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T107139 [0,1,0,0,1,0|1,0,0]=3 369 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T107140 [0,1,0,0,1,0|1,0,0]=3 370 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T112459 [0,1,0,0,1,0|1,0,0]=3 371 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T112460 [0,1,0,0,1,0|1,0,0]=3 372 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T112462 [0,1,0,0,1,0|1,0,0]=3 373 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T128785 [0,1,0,0,1,0|1,0,0]=3 374 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T291742 [0,1,0,0,1,0|1,0,0]=3 375 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T291743 [0,1,0,0,1,0|1,0,0]=3 376 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T291770 [0,1,0,0,1,0|1,0,0]=3 377 B9R0.79 C(C(C(=O)O)S)(C(=O)O)S D107254 [0,1,0,0,1,0|1,0,0]=3 378 B9R0.79 C(C(C(=O)O)S)(C(=O)O)S D303164 [0,1,0,0,1,0|1,0,0]=3 379 B9R0.79 C(C(C(=O)O)S)(C(=O)O)S M423151 [0,1,0,0,1,0|1,0,0]=3 380 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O A112564 [0,1,0,0,1,0|1,0,1]=4 381 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O C113873 [0,1,0,0,1,0|1,0,1]=4 382 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O C301989 [0,1,0,0,1,0|1,0,1]=4 383 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O C426624 [0,1,0,0,1,0|1,0,1]=4 384 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O P101331 [0,1,0,0,1,0|1,0,1]=4 385 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O P299369 [0,1,0,0,1,0|1,0,1]=4 386 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O P358957 [0,1,0,0,1,0|1,0,1]=4 387 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O S298746 [0,1,0,0,1,0|1,0,1]=4 388 B9R0.79 CC(C(C(=O)O)N)C(=O)O D137663 [0,1,0,0,1,0|0,0,0]=2 389 B9R0.79 CC(C(C)C(=O)O)C(=O)O D167070 [0,1,0,0,1,0|1,0,0]=3 390 B9R0.79 CC(C(C)C(=O)O)C(=O)O M344284 [0,1,0,0,1,0|1,0,0]=3 391 B9R0.79 CC(C(C)O)C(C(=O)O)N H102974 [0,1,0,0,1,0|1,0,1]=4 392 B9R0.79 CC(C(C)O)C(C(=O)O)N H134438 [0,1,0,0,1,0|1,0,1]=4 393 B11R0.109 C(CN=C(N)NO)C(C(=O)O)N N419955 [0,1,0,0,0,1|1,0,0]=3 394 B11R0.150 CC(C(=O)O)SSC(C)C(=O)O D154910 [0,1,0,0,0,1|2,0,0]=4 395 B11R0.318 C(CC(C(=O)O)N)CP(=O)(O)O R137370 [0,1,0,0,0,1|1,0,0]=3 396 B11R0.308 CC(C(C(=O)O)N)OP(=O)(O)O L332880 [0,2,0,0,0,0|2,0,0]=4 397 B11R0.120 COC(=O)CCC(=O)C(=O)OC D163011 [0,2,0,0,0,0|1,0,1]=4 398 B11R0.120 COC(=O)CCC(C(=O)OC)N D134570 [0,2,0,0,0,0|0,0,0]=2 399 B11R0.120 COC(=O)CCC(C(=O)OC)N D155070 [0,2,0,0,0,0|0,0,0]=2 400 B11R0.120 COC(=O)CCC(C(=O)OC)N G109003 [0,2,0,0,0,0|0,0,0]=2 401 B11R0.141 C(C(C(=O)O)N)OC(=O)C=[N+]=[N-] A465026 [0,2,0,0,0,0|2,0,0]=4 402 B11R0.141 C(CC(=O)C=[N+]=[N-])C(C(=O)O)N L287002 [0,2,0,0,0,0|1,0,0]=3 403 B11R0.141 CCNC(=O)CCC(C(=O)O)N D349984 [0,2,0,0,0,0|1,0,0]=3 404 B11R0.141 CCNC(=O)CCC(C(=O)O)N L423183 [0,2,0,0,0,0|1,0,0]=3 405 B11R0.141 CCNC(=O)CCC(C(=O)O)N T106216 [0,2,0,0,0,0|1,0,0]=3 406 B11R0.141 CCNC(=O)CCC(C(=O)O)N T106217 [0,2,0,0,0,0|1,0,0]=3 407 B11R0.141 CCOC(=O)CCC(C(=O)O)N L299772 [0,2,0,0,0,0|0,0,0]=2 408 B9R1.6 C1CC(CC=C1)C(=O)O C102409 [1,0,0,1,0,0|2,0,0]=4 409 B9R1.6 C1CC(CC=C1)C(=O)O R176823 [1,0,0,1,0,0|2,0,0]=4 410 B9R1.6 C1CC(CC=C1)C(=O)O S161048 [1,0,0,1,0,0|2,0,0]=4 411 B9R1.6 C1CCNC(C1)C(=O)O D331240 [1,0,0,1,0,0|1,0,1]=4 412 B9R1.6 C1CCNC(C1)C(=O)O D358401 [1,0,0,1,0,0|1,0,1]=4 413 B9R1.6 C1CCNC(C1)C(=O)O D424577 [1,0,0,1,0,0|1,0,1]=4 414 B9R1.6 C1CCNC(C1)C(=O)O H100528 [1,0,0,1,0,0|1,0,1]=4 415 B9R1.6 C1CCNC(C1)C(=O)O P101393 [1,0,0,1,0,0|1,0,1]=4 416 B9R1.6 C1CCNC(C1)C(=O)O P106214 [1,0,0,1,0,0|1,0,1]=4 417 B9R1.6 C1CCNC(C1)C(=O)O S136371 [1,0,0,1,0,0|1,0,1]=4 418 B9R1.6 C1CCNC(C1)C(=O)O S192036 [1,0,0,1,0,0|1,0,1]=4 419 B9R1.35 C1C(CNC1=O)C(=O)O O177293 [1,0,0,1,0,0|2,0,0]=4 420 B9R1.35 C1C(NC(=O)S1)C(=O)O S161109 [1,0,0,1,0,0|1,0,0]=3 421 B9R1.35 C1CC(=O)C=C1C(=O)O O352924 [1,0,0,1,0,0|1,0,1]=4 422 B9R1.35 C1CC(=O)CC1C(=O)O S177273 [1,0,0,1,0,0|1,0,0]=3 423 B9R1.35 C1CC(=O)NC1C(=O)O H427210 [1,0,0,1,0,0|0,0,0]=2 424 B9R1.35 C1CC(=O)NC1C(=O)O P106003 [1,0,0,1,0,0|0,0,0]=2 425 B9R1.35 C1CC(=O)NC1C(=O)O P106004 [1,0,0,1,0,0|0,0,0]=2 426 B9R1.35 C1CC(=O)NC1C(=O)O P106190 [1,0,0,1,0,0|0,0,0]=2 427 B9R1.35 C1CC(=O)NC1C(=O)O P106219 [1,0,0,1,0,0|0,0,0]=2 428 B9R1.35 C1CC(=O)NC1C(=O)[O-] L303332 [1,0,0,1,0,0|0,0,1]=3 429 B9R1.35 C1CC(=O)NC1C(=O)[O-] S300331 [1,0,0,1,0,0|0,0,1]=3 430 B9R1.35 C1CC(=O)OC1C(=O)O O589119 [1,0,0,1,0,0|1,0,0]=3 431 B9R1.35 C1CC(=O)OC1C(=O)O R160887 [1,0,0,1,0,0|1,0,0]=3 432 B9R1.35 C1CC(=O)OC1C(=O)O S161230 [1,0,0,1,0,0|1,0,0]=3 433 B9R1.35 C1CC(CC1C(=O)O)O H586133 [1,0,0,1,0,0|1,0,1]=4 434 B9R1.69 C1CC(=O)NC(=O)C1Br B589701 [1,0,0,1,0,0|2,0,0]=4 435 B9R1.69 C1CC(=O)NC(=O)C1N A175882 [1,0,0,1,0,0|1,0,0]=3 436 B9R1.69 C1CC(=O)NC(=O)C1N A303287 [1,0,0,1,0,0|1,0,0]=3 437 B9R1.69 C1CC(=O)NC(=O)C1N A588312 [1,0,0,1,0,0|1,0,0]=3 438 B9R1.69 C1CC(=O)NC(=O)C1N S588414 [1,0,0,1,0,0|1,0,0]=3 439 B9R1.112 C1CC1CC(C(=O)O)N C117163 [1,0,0,1,0,0|1,0,1]=4 440 B9R1.112 C1CC1CC(C(=O)O)N C117208 [1,0,0,1,0,0|1,0,1]=4 441 B9R1.163 C1CCC(C1)(C(=O)O)N A151472 [1,0,0,1,0,0|1,0,1]=4 442 B9R1.161 C1(C(O1)C(=O)O)C(=O)O C153802 [1,0,0,1,0,0|1,0,0]=3 443 B9R1.161 C1(C(O1)C(=O)O)C(=O)O P160610 [1,0,0,1,0,0|1,0,0]=3 444 B9R1.161 C1C(C1C(=O)O)C(=O)O C332473 [1,0,0,1,0,0|0,0,0]=2 445 B11R1.20 C1CC(=O)CCC1CC(=O)O O589355 [0,0,0,1,0,1|2,0,0]=4 446 B11R1.175 C1C(NC(S1)C(=O)O)C(=O)O T162357 [0,0,0,1,0,1|0,0,0]=2 447 B11R1.22 COC(=O)C1CCC(=O)CC1 M194293 [0,1,0,1,0,0|2,0,0]=4 448 B7R0.2 C(C(CO)N)C(=O)O H353181 [1,0,0,0,1,0|0,0,1]=3 449 B7R0.2 C(C(CO)N)C(=O)O S191379 [1,0,0,0,1,0|0,0,1]=3 450 B7R0.2 CCC(CC(=O)O)N A191758 [1,0,0,0,1,0|1,0,1]=4 451 B7R0.2 CCC(CC(=O)O)N I167296 [1,0,0,0,1,0|1,0,1]=4 452 B7R0.16 C(C(=O)N)(C(=O)N)N A185601 [0,0,0,0,2,0|2,0,0]=4 453 B7R0.16 C(C(=O)O)(C(=O)O)N A179126 [0,0,0,0,2,0|0,0,0]=2 454 B7R0.16 C(C(=O)O)(C(=O)O)O T137374 [0,0,0,0,2,0|1,0,0]=3 455 B7R0.16 CC(C(=O)O)C(=O)O M158074 [0,0,0,0,2,0|1,0,0]=3 456 B7R0.16 CC(C(C(=O)O)N)O L425658 [0,0,0,0,2,0|1,0,1]=4 457 B7R0.16 CC(C(C(=O)O)N)O L471819 [0,0,0,0,2,0|1,0,1]=4 458 B7R0.16 CC(C(C(=O)O)N)O S138236 [0,0,0,0,2,0|1,0,1]=4 459 B7R0.16 CC(C(C(=O)O)N)O S161020 [0,0,0,0,2,0|1,0,1]=4 460 B7R0.16 CC(C(C(=O)O)N)O T100459 [0,0,0,0,2,0|1,0,1]=4 461 B7R0.16 CC(C(C(=O)O)N)O T100954 [0,0,0,0,2,0|1,0,1]=4 462 B7R0.16 CC(C(C(=O)O)N)O T108221 [0,0,0,0,2,0|1,0,1]=4 463 B7R0.16 CC(C(C(=O)O)N)O T108222 [0,0,0,0,2,0|1,0,1]=4 464 B7R0.16 CC(C(C(=O)O)N)O T114829 [0,0,0,0,2,0|1,0,1]=4 465 B9R0.4 CCCCC(CC(=O)O)N A165644 [1,0,0,0,0,1|1,0,1]=4 466 B9R0.55 C(C(=O)O)SSCC(=O)O D113563 [1,0,0,0,0,1|1,0,0]=3 467 B9R0.55 C(C=CCC(=O)O)C(=O)O T162070 [1,0,0,0,0,1|0,0,1]=3 468 B9R0.55 C(CC(=O)O)CN=C(N)N G300266 [1,0,0,0,0,1|2,0,0]=4 469 B9R0.55 C(CC(=O)O)CN=C(N)N G424089 [1,0,0,0,0,1|2,0,0]=4 470 B9R0.55 C(CCC(=O)Cl)CC(=O)Cl A109761 [1,0,0,0,0,1|2,0,0]=4 471 B9R0.55 C(CCC(=O)N)CC(=O)N A151413 [1,0,0,0,0,1|2,0,0]=4 472 B9R0.55 C(CCC(=O)O)CC(=O)O A108264 [1,0,0,0,0,1|0,0,0]=2 473 B9R0.55 C(CCC(=O)O)CC(=O)O A108265 [1,0,0,0,0,1|0,0,0]=2 474 B9R0.55 C(CCC(=O)O)CC(=O)O A108266 [1,0,0,0,0,1|0,0,0]=2 475 B9R0.55 C(CCC(=O)O)CC(=O)O A119540 [1,0,0,0,0,1|0,0,0]=2 476 B9R0.55 C(CCC(=O)O)CC(=O)O A421037 [1,0,0,0,0,1|0,0,0]=2 477 B9R0.55 C(CCC(=O)O)CC(=O)O A431648 [1,0,0,0,0,1|0,0,0]=2 478 B9R0.55 C(CCC(=O)O)CC(=O)O P160731 [1,0,0,0,0,1|0,0,0]=2 479 B9R0.55 C(CCC(=O)O)CC(=O)O P341826 [1,0,0,0,0,1|0,0,0]=2 480 B9R0.55 C(CCC(=O)O)CC(=O)O P421581 [1,0,0,0,0,1|0,0,0]=2 481 B9R0.55 C(CCC(=O)[O-])CC(=O)[O-] A299362 [1,0,0,0,0,1|0,0,2]=4 482 B9R0.55 C(CCC(=O)[O-])CC(=O)[O-] D154297 [1,0,0,0,0,1|0,0,2]=4 483 B9R0.55 CC(=O)CCCCC(=O)O O135071 [1,0,0,0,0,1|1,0,0]=3 484 B9R0.55 CC(=O)NCCCC(=O)O A169398 [1,0,0,0,0,1|1,0,0]=3 485 B11R0.29 B(CCSCC(C(=O)O)N)(O)O B413875 [0,0,0,0,0,2|1,0,1]=4 486 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A100356 [0,0,0,0,0,2|2,0,0]=4 487 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A103103 [0,0,0,0,0,2|2,0,0]=4 488 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A103484 [0,0,0,0,0,2|2,0,0]=4 489 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A103485 [0,0,0,0,0,2|2,0,0]=4 490 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A103486 [0,0,0,0,0,2|2,0,0]=4 491 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A108220 [0,0,0,0,0,2|2,0,0]=4 492 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A109212 [0,0,0,0,0,2|2,0,0]=4 493 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A110423 [0,0,0,0,0,2|2,0,0]=4 494 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A117772 [0,0,0,0,0,2|2,0,0]=4 495 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A117773 [0,0,0,0,0,2|2,0,0]=4 496 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A118651 [0,0,0,0,0,2|2,0,0]=4 497 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A137768 [0,0,0,0,0,2|2,0,0]=4 498 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N D351356 [0,0,0,0,0,2|2,0,0]=4 499 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N D425650 [0,0,0,0,0,2|2,0,0]=4 500 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N L170343 [0,0,0,0,0,2|2,0,0]=4 501 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N L185231 [0,0,0,0,0,2|2,0,0]=4 502 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N L274353 [0,0,0,0,0,2|2,0,0]=4 503 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N L420636 [0,0,0,0,0,2|2,0,0]=4 504 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N L425810 [0,0,0,0,0,2|2,0,0]=4 505 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N L474020 [0,0,0,0,0,2|2,0,0]=4 506 B11R0.29 C(CC(C(=O)O)N)CNC(=O)N C109228 [0,0,0,0,0,2|1,0,0]=3 507 B11R0.29 C(CC(C(=O)O)N)CNC(=O)N D134396 [0,0,0,0,0,2|1,0,0]=3 508 B11R0.29 C(CC(C(=O)O)N)CNC(=O)N D134801 [0,0,0,0,0,2|1,0,0]=3 509 B11R0.29 C(CC(C(=O)O)N)CNC(=O)N D425187 [0,0,0,0,0,2|1,0,0]=3 510 B11R0.29 C(CC(C(=O)O)N)CNC(=O)N L303962 [0,0,0,0,0,2|1,0,0]=3 511 B11R0.29 C(CC(C(=O)O)N)CNC(=O)N L423677 [0,0,0,0,0,2|1,0,0]=3 512 B11R0.29 C(CCC(=O)O)CC(C(=O)O)N A589712 [0,0,0,0,0,2|0,0,0]=2 513 B11R0.29 C(CON=C(N)N)C(C(=O)O)N L135588 [0,0,0,0,0,2|2,0,0]=4 514 B11R0.29 C(CON=C(N)N)C(C(=O)O)N L329592 [0,0,0,0,0,2|2,0,0]=4 515 B11R0.29 CC(=O)NCSCC(C(=O)O)N A109568 [0,0,0,0,0,2|1,0,0]=3