0 B6R0.5 CCCP(=O)(O)O 31334 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.5 CCCS(=O)(=O)[O-] 22958 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.5 CS(=O)(=O)CCN 23676 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.5 NCCS(=O)(=O)O 01153 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.5 NCCS(N)(=O)=O 31344 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.5 O=C=NS(=O)(=O)Cl 31549 [0,0,0,0,0,0|2,1,1]=4 6 B6R0.5 O=S(=O)(O)CCO 28293 [0,0,0,0,0,0|0,1,0]=1 7 B6R0.5 O=S(=O)([O-])CCBr 21261 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.5 O=S(=O)([O-])CCCl 28025 [0,0,0,0,0,0|1,0,1]=2 9 B6R0.5 O=S(=O)([O-])CCO 27120 [0,0,0,0,0,0|0,1,1]=2 10 B5R0.1 C#CCC(=O)O 28620 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 CNCC(=O)O 01319 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 N#CCC(=O)O 14385 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 NCCC(=O)O 00324 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 NCCC(N)=O 04406 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 O=C(O)CCBr 24459 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.4 COS(C)(=O)=O 31534 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.4 CSS(C)(=O)=O 22994 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.4 NCS(=O)(=O)O 01967 [1,0,0,0,0,0|1,0,0]=2 19 B7R0.8 CCCCS(=O)(=O)[O-] 22838 [0,1,0,0,0,0|1,0,1]=3 20 B7R0.8 CNCCS(C)(=O)=O 23458 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.8 CS(=O)(=O)NCCN 24078 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.8 NCCCS(=O)(=O)O 01154 [0,1,0,0,0,0|1,0,0]=2 23 B7R0.8 NCCCS(=O)(=O)[O-] 01155 [0,1,0,0,0,0|1,0,1]=3 24 B7R0.8 O=S(=O)(Cl)CCCCl 27118 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.8 O=S(=O)(O)CCCO 21516 [0,1,0,0,0,0|0,1,0]=2 26 B7R0.8 O=S(=O)([O-])CCCS 27629 [0,1,0,0,0,0|0,0,1]=2 27 B7R0.11 CCS(=O)(=O)CCN 23939 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.14 O=S1(=O)CC=CC1 31557 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.14 O=S1(=O)CCCO1 22005 [0,0,0,1,0,0|1,0,0]=2 30 B7R1.14 O=S1(=O)OCCO1 08037 [0,0,0,1,0,0|2,0,0]=3 31 B7R1.26 O=S(=O)(Cl)C1CC1 23393 [0,0,0,1,0,0|2,0,0]=3 32 B4R0.1 CCC(=O)O 01518 [2,0,0,0,0,0|1,0,0]=3 33 B4R0.1 CCC(=O)O 30086 [2,0,0,0,0,0|1,0,0]=3 34 B4R0.1 CCC(=O)[O-] 01519 [2,0,0,0,0,0|1,0,1]=4 35 B4R0.1 NCC(=O)O 00163 [2,0,0,0,0,0|2,0,0]=4 36 B4R0.1 NCC(=O)O 00164 [2,0,0,0,0,0|2,0,0]=4 37 B4R0.1 NCC(=O)O 32005 [2,0,0,0,0,0|2,0,0]=4 38 B4R0.1 O=C(O)CBr 26843 [2,0,0,0,0,0|2,0,0]=4 39 B4R0.1 O=C(O)CCl 32016 [2,0,0,0,0,0|2,0,0]=4 40 B4R0.1 O=C(O)CS 01637 [2,0,0,0,0,0|1,0,0]=3 41 B4R0.1 O=C([O-])CS 00276 [2,0,0,0,0,0|1,0,1]=4 42 B4R0.2 NCCCO 15138 [2,0,0,0,0,0|2,0,0]=4 43 B4R0.2 OCCCBr 24461 [2,0,0,0,0,0|2,0,0]=4 44 B4R0.2 OCCCO 24462 [2,0,0,0,0,0|1,1,0]=4 45 B4R0.3 NS(=O)(=O)O 01215 [2,0,0,0,0,0|1,0,0]=3 46 B4R0.3 NS(=O)(=O)O 30202 [2,0,0,0,0,0|1,0,0]=3 47 B4R0.3 NS(=O)(=O)O 32023 [2,0,0,0,0,0|1,0,0]=3 48 B4R0.3 NS(=O)(=O)[O-] 30628 [2,0,0,0,0,0|1,0,1]=4 49 B4R0.3 O=S(=O)(O)O 00052 [2,0,0,0,0,0|0,1,0]=3 50 B4R0.3 O=S(=O)(O)O 24580 [2,0,0,0,0,0|0,1,0]=3 51 B4R0.3 O=S(=O)(O)O 30118 [2,0,0,0,0,0|0,1,0]=3 52 B4R0.3 O=S(=O)(O)O 30552 [2,0,0,0,0,0|0,1,0]=3 53 B4R0.3 O=S(=O)(O)O 30582 [2,0,0,0,0,0|0,1,0]=3 54 B4R0.3 O=S(=O)(O)O 30656 [2,0,0,0,0,0|0,1,0]=3 55 B4R0.3 O=S(=O)(O)O 30674 [2,0,0,0,0,0|0,1,0]=3 56 B4R0.3 O=S(=O)(O)O 31012 [2,0,0,0,0,0|0,1,0]=3 57 B4R0.3 O=S(=O)(O)O 32039 [2,0,0,0,0,0|0,1,0]=3 58 B4R0.3 O=S(=O)([O-])O 01232 [2,0,0,0,0,0|0,1,0]=3 59 B4R0.3 O=S(=O)([O-])O 01601 [2,0,0,0,0,0|0,1,0]=3 60 B4R0.3 O=S(=O)([O-])O 03683 [2,0,0,0,0,0|0,1,0]=3 61 B4R0.3 O=S(=O)([O-])O 30152 [2,0,0,0,0,0|0,1,0]=3 62 B4R0.3 O=S(=O)([O-])O 30226 [2,0,0,0,0,0|0,1,0]=3 63 B4R0.3 O=S(=O)([O-])O 30441 [2,0,0,0,0,0|0,1,0]=3 64 B4R0.3 O=S(=O)([O-])O 31103 [2,0,0,0,0,0|0,1,0]=3 65 B4R0.3 O=S(=O)([O-])[O-] 00274 [2,0,0,0,0,0|0,1,1]=4 66 B4R0.3 O=S(=O)([O-])[O-] 00678 [2,0,0,0,0,0|0,1,1]=4 67 B4R0.3 O=S(=O)([O-])[O-] 01203 [2,0,0,0,0,0|0,1,1]=4 68 B4R0.3 O=S(=O)([O-])[O-] 01204 [2,0,0,0,0,0|0,1,1]=4 69 B4R0.3 O=S(=O)([O-])[O-] 01230 [2,0,0,0,0,0|0,1,1]=4 70 B4R0.3 O=S(=O)([O-])[O-] 01238 [2,0,0,0,0,0|0,1,1]=4 71 B4R0.3 O=S(=O)([O-])[O-] 01254 [2,0,0,0,0,0|0,1,1]=4 72 B4R0.3 O=S(=O)([O-])[O-] 01255 [2,0,0,0,0,0|0,1,1]=4 73 B4R0.3 O=S(=O)([O-])[O-] 01257 [2,0,0,0,0,0|0,1,1]=4 74 B4R0.3 O=S(=O)([O-])[O-] 01271 [2,0,0,0,0,0|0,1,1]=4 75 B4R0.3 O=S(=O)([O-])[O-] 01443 [2,0,0,0,0,0|0,1,1]=4 76 B4R0.3 O=S(=O)([O-])[O-] 01497 [2,0,0,0,0,0|0,1,1]=4 77 B4R0.3 O=S(=O)([O-])[O-] 01604 [2,0,0,0,0,0|0,1,1]=4 78 B4R0.3 O=S(=O)([O-])[O-] 02027 [2,0,0,0,0,0|0,1,1]=4 79 B4R0.3 O=S(=O)([O-])[O-] 02039 [2,0,0,0,0,0|0,1,1]=4 80 B4R0.3 O=S(=O)([O-])[O-] 02907 [2,0,0,0,0,0|0,1,1]=4 81 B4R0.3 O=S(=O)([O-])[O-] 06808 [2,0,0,0,0,0|0,1,1]=4 82 B4R0.3 O=S(=O)([O-])[O-] 22852 [2,0,0,0,0,0|0,1,1]=4 83 B4R0.3 O=S(=O)([O-])[O-] 26476 [2,0,0,0,0,0|0,1,1]=4 84 B4R0.3 O=S(=O)([O-])[O-] 26481 [2,0,0,0,0,0|0,1,1]=4 85 B4R0.3 O=S(=O)([O-])[O-] 26502 [2,0,0,0,0,0|0,1,1]=4 86 B4R0.3 O=S(=O)([O-])[O-] 29792 [2,0,0,0,0,0|0,1,1]=4 87 B4R0.3 O=S(=O)([O-])[O-] 29852 [2,0,0,0,0,0|0,1,1]=4 88 B4R0.3 O=S(=O)([O-])[O-] 29920 [2,0,0,0,0,0|0,1,1]=4 89 B4R0.3 O=S(=O)([O-])[O-] 30057 [2,0,0,0,0,0|0,1,1]=4 90 B4R0.3 O=S(=O)([O-])[O-] 30077 [2,0,0,0,0,0|0,1,1]=4 91 B4R0.3 O=S(=O)([O-])[O-] 30094 [2,0,0,0,0,0|0,1,1]=4 92 B4R0.3 O=S(=O)([O-])[O-] 30123 [2,0,0,0,0,0|0,1,1]=4 93 B4R0.3 O=S(=O)([O-])[O-] 30157 [2,0,0,0,0,0|0,1,1]=4 94 B4R0.3 O=S(=O)([O-])[O-] 30160 [2,0,0,0,0,0|0,1,1]=4 95 B4R0.3 O=S(=O)([O-])[O-] 30166 [2,0,0,0,0,0|0,1,1]=4 96 B4R0.3 O=S(=O)([O-])[O-] 30190 [2,0,0,0,0,0|0,1,1]=4 97 B4R0.3 O=S(=O)([O-])[O-] 30193 [2,0,0,0,0,0|0,1,1]=4 98 B4R0.3 O=S(=O)([O-])[O-] 30225 [2,0,0,0,0,0|0,1,1]=4 99 B4R0.3 O=S(=O)([O-])[O-] 30230 [2,0,0,0,0,0|0,1,1]=4 100 B4R0.3 O=S(=O)([O-])[O-] 30241 [2,0,0,0,0,0|0,1,1]=4 101 B4R0.3 O=S(=O)([O-])[O-] 30243 [2,0,0,0,0,0|0,1,1]=4 102 B4R0.3 O=S(=O)([O-])[O-] 30278 [2,0,0,0,0,0|0,1,1]=4 103 B4R0.3 O=S(=O)([O-])[O-] 30333 [2,0,0,0,0,0|0,1,1]=4 104 B4R0.3 O=S(=O)([O-])[O-] 30588 [2,0,0,0,0,0|0,1,1]=4 105 B4R0.3 O=S(=O)([O-])[O-] 30589 [2,0,0,0,0,0|0,1,1]=4 106 B4R0.3 O=S(=O)([O-])[O-] 30629 [2,0,0,0,0,0|0,1,1]=4 107 B4R0.3 O=S(=O)([O-])[O-] 30630 [2,0,0,0,0,0|0,1,1]=4 108 B4R0.3 O=S(=O)([O-])[O-] 30665 [2,0,0,0,0,0|0,1,1]=4 109 B4R0.3 O=S(=O)([O-])[O-] 30673 [2,0,0,0,0,0|0,1,1]=4 110 B4R0.3 O=S(=O)([O-])[O-] 31885 [2,0,0,0,0,0|0,1,1]=4 111 B4R0.3 O=S(=O)([O-])[O-] 32031 [2,0,0,0,0,0|0,1,1]=4 112 B4R0.3 O=S(=O)([O-])[O-] 32040 [2,0,0,0,0,0|0,1,1]=4 113 B4R0.3 O=[Mo](=O)(O)O 00021 [2,0,0,0,0,0|1,1,0]=4 114 B4R0.3 O=[Mo](=O)(O)O 30128 [2,0,0,0,0,0|1,1,0]=4 115 B4R0.3 O=[Mo](=O)(O)O 30213 [2,0,0,0,0,0|1,1,0]=4 116 B4R0.3 O=[Re](=O)(=O)O 27319 [2,0,0,0,0,0|1,1,0]=4 117 B4R0.3 O=[Re](=O)(=O)O 29542 [2,0,0,0,0,0|1,1,0]=4 118 B6R0.1 COC(=O)CCBr 06991 [1,1,0,0,0,0|2,0,0]=4 119 B6R0.1 COC(=O)CCN 04408 [1,1,0,0,0,0|2,0,0]=4 120 B6R0.2 CC(N)CC(=O)O 21614 [1,1,0,0,0,0|2,0,0]=4 121 B6R0.2 C[C@@H](N)CC(=O)O 16636 [1,1,0,0,0,0|2,0,0]=4 122 B6R0.2 C[C@H](N)CC(=O)O 12762 [1,1,0,0,0,0|2,0,0]=4 123 B6R0.2 C[C@H](N)CC(=O)O 21056 [1,1,0,0,0,0|2,0,0]=4 124 B6R0.3 CC(CN)C(=O)O 21653 [1,1,0,0,0,0|2,0,0]=4 125 B6R0.3 CC[C@@H](N)C(=O)O 00806 [1,1,0,0,0,0|2,0,0]=4 126 B6R0.3 CC[C@H](N)C(=O)O 01432 [1,1,0,0,0,0|2,0,0]=4 127 B6R0.3 CC[C@H](O)C(=O)O 21126 [1,1,0,0,0,0|2,0,0]=4 128 B6R0.3 NC(CCl)C(=O)O 06231 [1,1,0,0,0,0|2,0,0]=4 129 B6R0.3 NC(CF)C(=O)O 07044 [1,1,0,0,0,0|2,0,0]=4 130 B6R0.3 NC(CO)C(=O)O 00556 [1,1,0,0,0,0|1,1,0]=4 131 B6R0.3 NC(CS)C(=O)O 21500 [1,1,0,0,0,0|1,0,0]=3 132 B6R0.3 NC(CS)C(=O)O 21624 [1,1,0,0,0,0|1,0,0]=3 133 B6R0.3 NC(CS)C(=O)O 21654 [1,1,0,0,0,0|1,0,0]=3 134 B6R0.3 NCC(N)C(=O)O 21559 [1,1,0,0,0,0|2,0,0]=4 135 B6R0.3 NCC(O)C(=O)O 07068 [1,1,0,0,0,0|2,0,0]=4 136 B6R0.3 NC[C@@H](N)C(=O)O 05645 [1,1,0,0,0,0|2,0,0]=4 137 B6R0.3 NC[C@H](N)C(=O)O 01314 [1,1,0,0,0,0|2,0,0]=4 138 B6R0.3 N[C@@H](CCl)C(=O)O 06226 [1,1,0,0,0,0|2,0,0]=4 139 B6R0.3 N[C@@H](CCl)C(=O)O 06227 [1,1,0,0,0,0|2,0,0]=4 140 B6R0.3 N[C@@H](CO)C(=O)O 00279 [1,1,0,0,0,0|1,1,0]=4 141 B6R0.3 N[C@@H](CS)C(=O)O 00085 [1,1,0,0,0,0|1,0,0]=3 142 B6R0.3 N[C@@H](CS)C(=O)O 00087 [1,1,0,0,0,0|1,0,0]=3 143 B6R0.3 N[C@@H](CS)C(=O)O 00437 [1,1,0,0,0,0|1,0,0]=3 144 B6R0.3 N[C@@H](CS)C(=O)O 24758 [1,1,0,0,0,0|1,0,0]=3 145 B6R0.3 N[C@@H](CS)C(=O)O 31108 [1,1,0,0,0,0|1,0,0]=3 146 B6R0.3 N[C@H](CCl)C(=O)O 06229 [1,1,0,0,0,0|2,0,0]=4 147 B6R0.3 N[C@H](CO)C(=O)O 00262 [1,1,0,0,0,0|1,1,0]=4 148 B6R0.3 N[C@H](CS)C(=O)O 00086 [1,1,0,0,0,0|1,0,0]=3 149 B6R0.3 N[C@H](CS)C(=O)O 21754 [1,1,0,0,0,0|1,0,0]=3 150 B6R0.4 C#CCCC(=O)O 26911 [1,1,0,0,0,0|2,0,0]=4 151 B6R0.4 C#CCCC(=O)O 29558 [1,1,0,0,0,0|2,0,0]=4 152 B6R0.4 NCCCC(=O)O 04887 [1,1,0,0,0,0|2,0,0]=4 153 B6R0.4 O=C(O)CCCBr 26847 [1,1,0,0,0,0|2,0,0]=4 154 B6R0.4 O=C(O)CCCS 22299 [1,1,0,0,0,0|1,0,0]=3 155 B6R0.7 CC(C)S(=O)(=O)[O-] 22910 [1,1,0,0,0,0|0,0,1]=3 156 B8R0.21 CCCCCS(=O)(=O)[O-] 22839 [0,2,0,0,0,0|1,0,1]=4 157 B8R0.21 CCCCCS(=O)(=O)[O-] 22941 [0,2,0,0,0,0|1,0,1]=4 158 B8R0.29 CC(C)CNS(C)(=O)=O 23312 [0,2,0,0,0,0|2,0,0]=4 159 B8R0.30 CCOS(=O)(=O)OCC 03898 [0,2,0,0,0,0|2,0,0]=4 160 B6R1.2 O=C1CCSC1 29785 [1,0,0,1,0,0|2,0,0]=4 161 B8R1.72 O=S1(=O)CCNCC1 18228 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.70 CC1(S(N)(=O)=O)CC1 29328 [0,1,0,1,0,0|2,0,0]=4