0 B5R0.4 C=CP(=O)(O)O AC8342 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.4 C=CS(C)(=O)=O D95725 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.4 CCS(=O)(=O)Cl D78105 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.4 CCS(=O)(=O)O F20396 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.4 CCS(C)(=O)=O A10776 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.4 CCS(N)(=O)=O 35724 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.4 CNS(C)(=O)=O AB2915 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.4 COP(=O)(Cl)Cl D91398 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.4 COS(=O)(=O)[O-] D91331 [0,0,0,0,0,0|0,0,1]=1 9 B5R0.4 COS(C)(=O)=O C10631 [0,0,0,0,0,0|1,0,0]=1 10 B5R0.4 CO[Si](C)(C)C D94568 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.4 CSS(C)(=O)=O H10854 [0,0,0,0,0,0|1,1,0]=2 12 B5R0.4 NCP(=O)(O)O 22854 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.4 NOS(=O)(=O)[O-] D77993 [0,0,0,0,0,0|1,0,1]=2 14 B5R0.4 O=S(=O)([O-])CO D90827 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.1 C#CC(=O)O F10329 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 CCB(O)O 33051 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 CCC(N)=O O12053 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 CC[C@H](C)O 70716 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.1 CC[C@H](C)O 70832 [1,0,0,0,0,0|3,0,0]=4 20 B4R0.1 CC[S@](=O)[O-] F16489 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.1 CNC(=O)Cl D81983 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.1 CNC(N)=O AC8061 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 COC(=N)N F11253 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 COC(=N)N F14927 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 COC(=N)N I11503 [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 COC(Cl)Cl D87753 [1,0,0,0,0,0|3,0,0]=4 27 B4R0.1 COC(N)=O D86342 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.1 COP(Cl)Cl D91399 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 CSC(C)=O D82067 [1,0,0,0,0,0|2,1,0]=4 30 B4R0.1 NCC(=O)O D70890 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 NCC(=O)O F21278 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.1 O=C(O)CO D78078 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.1 O=CC(=O)O D70821 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.1 O=CC(=O)O F14188 [1,0,0,0,0,0|3,0,0]=4 35 B4R0.3 CP(=O)(O)O D95909 [1,0,0,0,0,0|1,0,1]=3 36 B4R0.3 CS(=O)(=O)O AT25153 [1,0,0,0,0,0|0,0,0]=1 37 B4R0.3 CS(=O)(=O)[O-] A11504 [1,0,0,0,0,0|0,0,1]=2 38 B4R0.3 CS(=O)(=O)[O-] D82065 [1,0,0,0,0,0|0,0,1]=2 39 B4R0.3 CS(=O)(=O)[O-] E70319 [1,0,0,0,0,0|0,0,1]=2 40 B4R0.3 CS(=O)(=O)[S-] W18874 [1,0,0,0,0,0|0,1,0]=2 41 B4R0.3 CS(C)(=N)=O F31251 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.3 CS(C)(=O)=O D70240 [1,0,0,0,0,0|1,0,0]=2 43 B4R0.3 CS(N)(=O)=O AC7862 [1,0,0,0,0,0|1,0,0]=2 44 B4R0.3 C[S+](C)(C)=O A11312 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.3 C[S+](C)(C)=O AC7850 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.3 C[S+](C)(C)=O AC8170 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.3 NS(=O)(=O)Cl 30747 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.3 NS(=O)(=O)[O-] D95248 [1,0,0,0,0,0|1,0,1]=3 49 B4R0.3 NS(=O)(=O)[O-] H10675 [1,0,0,0,0,0|1,0,1]=3 50 B4R0.3 NS(N)(=O)=O S12311 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.3 O=Cl(=O)(=O)[O-] D97853 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.3 O=P(O)(F)F D94280 [1,0,0,0,0,0|3,0,0]=4 53 B4R0.3 O=S(=O)(O)O D77746 [1,0,0,0,0,0|0,0,0]=1 54 B4R0.3 O=S(=O)(O)O H11038 [1,0,0,0,0,0|0,0,0]=1 55 B4R0.3 O=S(=O)([O-])O D90622 [1,0,0,0,0,0|0,0,1]=2 56 B4R0.3 O=S(=O)([O-])[O-] AC2339 [1,0,0,0,0,0|0,0,2]=3 57 B4R0.3 O=S(=O)([O-])[O-] AC2544 [1,0,0,0,0,0|0,0,2]=3 58 B4R0.3 O=S(=O)([O-])[O-] C13502 [1,0,0,0,0,0|0,0,2]=3 59 B4R0.3 O=S(=O)([O-])[O-] D95954 [1,0,0,0,0,0|0,0,2]=3 60 B4R0.3 O=S(=O)([O-])[O-] D97195 [1,0,0,0,0,0|0,0,2]=3 61 B4R0.3 O=S(=O)([O-])[O-] D97777 [1,0,0,0,0,0|0,0,2]=3 62 B4R0.3 O=S([O-])([O-])=S D78333 [1,0,0,0,0,0|0,1,2]=4 63 B4R0.3 O=[Mo](=O)(O)O D78107 [1,0,0,0,0,0|1,0,0]=2 64 B4R0.3 O=[Mo](=O)([O-])[O-] A11800 [1,0,0,0,0,0|1,0,2]=4 65 B4R0.3 O=[Os](=O)([O-])[O-] C13967 [1,0,0,0,0,0|1,0,2]=4 66 B4R0.3 O=[W](=O)([O-])[O-] H11589 [1,0,0,0,0,0|1,0,2]=4 67 B6R0.5 CCCS(=O)(=O)Cl N10374 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.5 CCCS(=O)(=O)[O-] D91948 [0,1,0,0,0,0|1,0,1]=3 69 B6R0.5 CCCS(N)(=O)=O W12497 [0,1,0,0,0,0|2,0,0]=3 70 B6R0.5 CCNS(=O)(=O)Cl F17073 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.5 CCOS(C)(=O)=O H10715 [0,1,0,0,0,0|1,0,0]=2 72 B6R0.5 COCC(C)(C)O 67570 [0,1,0,0,0,0|3,0,0]=4 73 B6R0.5 CS(=O)(=O)CC#N 35929 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.5 CS(=O)(=O)CCCl 72256 [0,1,0,0,0,0|2,0,0]=3 75 B6R0.5 CS(=O)(=O)CCN AR2651 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.5 CS(=O)(=O)CCN C77681 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.5 CS(=O)(=O)CCO D73179 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.5 NCCP(=O)(O)O C73847 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.5 NCCS(=O)(=O)O D78121 [0,1,0,0,0,0|1,0,0]=2 80 B6R0.5 NCCS(N)(=O)=O 29422 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.5 NCCS(N)(=O)=O A11226 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.5 O=S(=O)(Cl)CCBr 32369 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.5 O=S(=O)(Cl)OCCl CL4517 [0,1,0,0,0,0|1,0,0]=2 84 B6R0.5 O=S(=O)(O)CCO A10809 [0,1,0,0,0,0|1,0,0]=2 85 B6R0.5 O=S(=O)([O-])CCBr S12361 [0,1,0,0,0,0|1,0,1]=3 86 B6R0.5 O=S(=O)([O-])CCCl D71129 [0,1,0,0,0,0|1,0,1]=3 87 B6R0.5 O=S(=O)([O-])CCS 46862 [0,1,0,0,0,0|1,0,1]=3 88 B6R0.7 CC(C)S(=O)(=O)Cl CK2509 [0,1,0,0,0,0|2,0,0]=3 89 B6R0.7 CC(C)S(C)(=O)=O D91166 [0,1,0,0,0,0|2,0,0]=3 90 B6R0.7 CC(C)S(N)(=O)=O 36373 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.7 CN(C)S(N)(=O)=O 35827 [0,1,0,0,0,0|2,0,0]=3 92 B6R0.8 C=CS(=O)(=O)C=C AT13126 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.8 C=CS(=O)(=O)CC D94604 [0,1,0,0,0,0|2,0,0]=3 94 B6R0.8 CCS(=O)(=O)OC A10853 [0,1,0,0,0,0|1,0,0]=2 95 B6R0.8 COC(C)(C)CO I10175 [0,1,0,0,0,0|3,0,0]=4 96 B6R1.10 O=P1([O-])OOO1 C13499 [0,0,0,1,0,0|2,0,1]=4 97 B3R0.1 CCNO 77594 [2,0,0,0,0,0|2,0,0]=4 98 B3R0.1 CNOC 60204 [2,0,0,0,0,0|2,0,0]=4 99 B3R0.1 COCBr D78328 [2,0,0,0,0,0|2,0,0]=4 100 B3R0.1 C\C=N\O F13401 [2,0,0,0,0,0|2,0,0]=4 101 B3R0.2 CB(O)O 26076 [2,0,0,0,0,0|1,0,1]=4 102 B3R0.2 CC(=O)O 29388 [2,0,0,0,0,0|1,0,0]=3 103 B3R0.2 CC(=O)O C90337 [2,0,0,0,0,0|1,0,0]=3 104 B3R0.2 CC(=O)S D92569 [2,0,0,0,0,0|1,1,0]=4 105 B3R0.2 CC(=O)[O-] 35848 [2,0,0,0,0,0|1,0,1]=4 106 B3R0.2 CC(=O)[O-] AC2542 [2,0,0,0,0,0|1,0,1]=4 107 B3R0.2 CC(=O)[O-] AC2625 [2,0,0,0,0,0|1,0,1]=4 108 B3R0.2 CC(=O)[O-] D70070 [2,0,0,0,0,0|1,0,1]=4 109 B3R0.2 CC(=O)[O-] D74466 [2,0,0,0,0,0|1,0,1]=4 110 B3R0.2 CC(=O)[O-] D74596 [2,0,0,0,0,0|1,0,1]=4 111 B3R0.2 CC(=O)[O-] D77673 [2,0,0,0,0,0|1,0,1]=4 112 B3R0.2 CC(=O)[O-] D77909 [2,0,0,0,0,0|1,0,1]=4 113 B3R0.2 CC(=O)[O-] D78215 [2,0,0,0,0,0|1,0,1]=4 114 B3R0.2 CC(=O)[O-] D78216 [2,0,0,0,0,0|1,0,1]=4 115 B3R0.2 CC(=O)[O-] D81958 [2,0,0,0,0,0|1,0,1]=4 116 B3R0.2 CC(=O)[O-] D84280 [2,0,0,0,0,0|1,0,1]=4 117 B3R0.2 CC(=O)[O-] D88447 [2,0,0,0,0,0|1,0,1]=4 118 B3R0.2 CC(=O)[O-] D91230 [2,0,0,0,0,0|1,0,1]=4 119 B3R0.2 CC(=O)[O-] D95368 [2,0,0,0,0,0|1,0,1]=4 120 B3R0.2 CC(=O)[O-] D95676 [2,0,0,0,0,0|1,0,1]=4 121 B3R0.2 CC(=O)[O-] D95836 [2,0,0,0,0,0|1,0,1]=4 122 B3R0.2 CC(=O)[O-] D95949 [2,0,0,0,0,0|1,0,1]=4 123 B3R0.2 CC(=O)[O-] D95967 [2,0,0,0,0,0|1,0,1]=4 124 B3R0.2 CC(=O)[O-] D95970 [2,0,0,0,0,0|1,0,1]=4 125 B3R0.2 CC(=O)[O-] D97851 [2,0,0,0,0,0|1,0,1]=4 126 B3R0.2 CC(=O)[O-] E70002 [2,0,0,0,0,0|1,0,1]=4 127 B3R0.2 CC(=O)[O-] H10718 [2,0,0,0,0,0|1,0,1]=4 128 B3R0.2 C[PH](C)=O 20677 [2,0,0,0,0,0|2,0,0]=4 129 B3R0.2 C[S@](=O)[O-] 35930 [2,0,0,0,0,0|0,0,2]=4 130 B3R0.2 O=C(O)O D78214 [2,0,0,0,0,0|1,0,0]=3 131 B3R0.2 O=[V](=O)[O-] D78051 [2,0,0,0,0,0|1,0,1]=4 132 B3R0.2 OP(O)O F20662 [2,0,0,0,0,0|1,0,1]=4 133 B5R0.1 CC#CC(=O)O 66664 [1,1,0,0,0,0|2,0,0]=4 134 B5R0.1 CC(=O)OCBr A12670 [1,1,0,0,0,0|2,0,0]=4 135 B5R0.1 CC(=O)OCCl D78132 [1,1,0,0,0,0|2,0,0]=4 136 B5R0.1 CCOC(N)=O F21294 [1,1,0,0,0,0|2,0,0]=4 137 B5R0.1 CNCC(=O)O 73735 [1,1,0,0,0,0|2,0,0]=4 138 B5R0.1 CNCC(=O)O AC7804 [1,1,0,0,0,0|2,0,0]=4 139 B5R0.1 COCC(=O)Cl D78222 [1,1,0,0,0,0|2,0,0]=4 140 B5R0.1 COCC(=O)O D77874 [1,1,0,0,0,0|1,0,0]=3 141 B5R0.1 COCC(C)=O D91400 [1,1,0,0,0,0|2,0,0]=4 142 B5R0.1 COCC(N)=O F20983 [1,1,0,0,0,0|2,0,0]=4 143 B5R0.1 COC[C@H](C)O 35103 [1,1,0,0,0,0|2,0,0]=4 144 B5R0.1 COC[C@H](C)O O10158 [1,1,0,0,0,0|2,0,0]=4 145 B5R0.1 CSCC(=O)O F15988 [1,1,0,0,0,0|1,1,0]=4 146 B5R0.1 C\C=C\C(=O)O RB8002 [1,1,0,0,0,0|2,0,0]=4 147 B5R0.1 NOCC(=O)O H11929 [1,1,0,0,0,0|2,0,0]=4 148 B5R0.1 O=C(Cl)OCCl H11933 [1,1,0,0,0,0|2,0,0]=4 149 B5R0.1 O=C(O)CCBr P17146 [1,1,0,0,0,0|2,0,0]=4 150 B5R0.1 O=C(O)CCF 71324 [1,1,0,0,0,0|2,0,0]=4 151 B5R0.1 O=C(O)CCI D91073 [1,1,0,0,0,0|2,0,0]=4 152 B5R0.1 O=C(O)CCO 77998 [1,1,0,0,0,0|2,0,0]=4 153 B5R0.1 O=C(O)CCS AT21041 [1,1,0,0,0,0|2,0,0]=4 154 B5R0.3 C#CC(=O)OC P17723 [1,1,0,0,0,0|2,0,0]=4 155 B5R0.3 CCC(=O)CO C75383 [1,1,0,0,0,0|2,0,0]=4 156 B5R0.3 CNC(=O)OC 29564 [1,1,0,0,0,0|2,0,0]=4 157 B5R0.3 COC(=O)CN 20047 [1,1,0,0,0,0|2,0,0]=4 158 B5R0.3 COC(=O)CO 39413 [1,1,0,0,0,0|1,0,0]=3 159 B5R0.3 COC(=O)NN P17509 [1,1,0,0,0,0|2,0,0]=4 160 B5R0.3 COC(=O)SCl D91417 [1,1,0,0,0,0|1,1,0]=4 161 B5R0.3 CON(C)C=O F11046 [1,1,0,0,0,0|2,0,0]=4 162 B5R0.3 CO[C@@H](C)CO 29137 [1,1,0,0,0,0|2,0,0]=4 163 B5R0.3 CO[C@@H](C)CO 35966 [1,1,0,0,0,0|2,0,0]=4 164 B5R0.5 C[C@H](Br)C(=O)O 70715 [1,1,0,0,0,0|2,0,0]=4 165 B5R0.5 C[C@H](Br)C(=O)O H10882 [1,1,0,0,0,0|2,0,0]=4 166 B5R0.5 C[C@H](Cl)C(=O)O 36674 [1,1,0,0,0,0|2,0,0]=4 167 B5R0.5 C[C@H](Cl)C(=O)O F16436 [1,1,0,0,0,0|2,0,0]=4 168 B5R0.5 C[C@H](F)C(=O)O N12158 [1,1,0,0,0,0|2,0,0]=4 169 B5R0.5 C[C@H](N)C(=O)O 30773 [1,1,0,0,0,0|2,0,0]=4 170 B5R0.5 C[C@H](N)C(=O)O C75806 [1,1,0,0,0,0|2,0,0]=4 171 B5R0.5 C[C@H](N)C(=O)O D72543 [1,1,0,0,0,0|2,0,0]=4 172 B5R0.5 C[C@H](N)C(=O)O D84362 [1,1,0,0,0,0|2,0,0]=4 173 B5R0.5 C[C@H](O)C(=O)O D71144 [1,1,0,0,0,0|2,0,0]=4 174 B5R0.5 C[C@H](O)C(=O)O F14892 [1,1,0,0,0,0|2,0,0]=4 175 B7R0.8 C=CCNS(C)(=O)=O F12003 [0,2,0,0,0,0|2,0,0]=4 176 B7R0.8 CCCCS(=O)(=O)Cl D88706 [0,2,0,0,0,0|2,0,0]=4 177 B7R0.8 CCCCS(=O)(=O)[O-] F10017 [0,2,0,0,0,0|1,0,1]=4 178 B7R0.8 CCCNS(N)(=O)=O C10960 [0,2,0,0,0,0|2,0,0]=4 179 B7R0.8 CCCNS([NH-])(=O)=O C10367 [0,2,0,0,0,0|2,0,0]=4 180 B7R0.8 CCCNS([NH-])(=O)=O F20455 [0,2,0,0,0,0|2,0,0]=4 181 B7R0.8 CCCOS(C)(=O)=O D92166 [0,2,0,0,0,0|1,0,0]=3 182 B7R0.8 CNCCS(C)(=O)=O AR3755 [0,2,0,0,0,0|2,0,0]=4 183 B7R0.8 COCCS(=O)(=O)Cl 30548 [0,2,0,0,0,0|1,0,0]=3 184 B7R0.8 COCCS(=O)(=O)[O-] 31559 [0,2,0,0,0,0|0,0,1]=3 185 B7R0.8 CS(=O)(=O)CCCO 29519 [0,2,0,0,0,0|2,0,0]=4 186 B7R0.8 CS(=O)(=O)NCCN AR2420 [0,2,0,0,0,0|2,0,0]=4 187 B7R0.8 CS(=O)(=O)OCCCl H11355 [0,2,0,0,0,0|1,0,0]=3 188 B7R0.8 NCCCS(=O)(=O)O 28770 [0,2,0,0,0,0|1,0,0]=3 189 B7R0.8 NCCOP(=O)(O)O P50005 [0,2,0,0,0,0|1,0,1]=4 190 B7R0.8 NCCOS(=O)(=O)O D71117 [0,2,0,0,0,0|0,0,0]=2 191 B7R0.8 NS(=O)(=O)CCCCl VT1073 [0,2,0,0,0,0|2,0,0]=4 192 B7R0.8 O=S(=O)(Cl)CCCCl 58034 [0,2,0,0,0,0|2,0,0]=4 193 B7R0.8 O=S(=O)(O)CCCBr D88846 [0,2,0,0,0,0|1,0,0]=3 194 B7R0.8 O=S(=O)([O-])CCCS H11253 [0,2,0,0,0,0|1,0,1]=4 195 B7R0.9 CC(=O)CS(C)(=O)=O D97758 [0,2,0,0,0,0|2,0,0]=4 196 B7R0.9 CC(C)CS(=O)(=O)Cl CK2496 [0,2,0,0,0,0|2,0,0]=4 197 B7R0.9 CC(C)NS(=O)(=O)Cl 29898 [0,2,0,0,0,0|2,0,0]=4 198 B7R0.9 CC(C)OS(C)(=O)=O O11833 [0,2,0,0,0,0|1,0,0]=3 199 B7R0.11 CCS(=O)(=O)CCCl 71330 [0,2,0,0,0,0|2,0,0]=4 200 B7R0.13 CCS(=O)(=O)C(C)C D90526 [0,2,0,0,0,0|2,0,0]=4 201 B7R0.17 CC(C)(C)S(N)(=O)=O 67463 [0,2,0,0,0,0|2,0,0]=4 202 B7R0.17 O=S(=O)(O)C(F)(F)F D92140 [0,2,0,0,0,0|2,0,0]=4 203 B7R0.17 O=S(=O)(O)C(F)(F)F D94729 [0,2,0,0,0,0|2,0,0]=4 204 B7R0.18 COP(=O)(CO)OC C74268 [0,2,0,0,0,0|1,0,1]=4 205 B5R1.2 O=C1CCO1 AT19319 [1,0,0,1,0,0|2,0,0]=4 206 B7R1.14 O=P1(Cl)OCCO1 23130 [0,1,0,1,0,0|2,0,0]=4 207 B7R1.14 O=S1(=O)C=CCO1 24700 [0,1,0,1,0,0|1,0,0]=3 208 B7R1.14 O=S1(=O)CCCC1 D78046 [0,1,0,1,0,0|2,0,0]=4 209 B7R1.14 O=S1(=O)CCCN1 P10768 [0,1,0,1,0,0|2,0,0]=4 210 B7R1.14 O=S1(=O)OCCO1 30290 [0,1,0,1,0,0|0,0,0]=2 211 B7R1.16 O=S1(=O)CC(O)C1 O11016 [0,1,0,1,0,0|2,0,0]=4 212 B7R1.26 NS(=O)(=O)C1CC1 34254 [0,1,0,1,0,0|2,0,0]=4 213 B7R1.26 O=S(=O)(Cl)C1CC1 AR3422 [0,1,0,1,0,0|2,0,0]=4