0 B6R0.5 C=CCS(=O)(=O)[O-] 463062 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.5 CC(C)(O)CCO 099109 [0,0,0,0,0,0|3,1,0]=4 2 B6R0.5 CCCC(C)(C)O 356177 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.5 CCCP(=O)(O)O 102644 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.5 CCCS(=O)(=O)Cl 094413 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.5 CCOS(C)(=O)=O 001758 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.5 CS(=O)(=O)CC#N 003503 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.5 CS(=O)(=O)CCN 035902 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.5 CS(=O)(=O)CCO 002961 [0,0,0,0,0,0|1,1,0]=2 9 B6R0.5 C[Si](C)(C)CCS S10370 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.5 FC(F)(F)CCS 038350 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.5 NCCP(=O)(O)O 240267 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.5 NCCS(=O)(=O)O 094516 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.5 NCCS(N)(=O)=O 044164 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.5 O=C=NS(=O)(=O)Cl 093913 [0,0,0,0,0,0|2,1,1]=4 15 B6R0.5 O=S(=O)(Cl)CCCl 099437 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.5 O=S(=O)(Cl)OCCl 019245 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.5 O=S(=O)([O-])CCO 225614 [0,0,0,0,0,0|0,1,1]=2 18 B6R0.5 O=S(=O)([O-])CCS 036581 [0,0,0,0,0,0|0,0,1]=1 19 B5R0.1 CC(=O)CCCl 069833 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 CC(=O)CCO 358442 [1,0,0,0,0,0|2,1,0]=4 21 B5R0.1 CC(C)CCS 358459 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 CC(O)CCO 099380 [1,0,0,0,0,0|2,1,0]=4 23 B5R0.1 CCCB(O)O 092177 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 CCCC(=O)Cl 098879 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 CCCC(=O)O 102473 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 CCCC(C)O 099024 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 CCCC(N)=O 356018 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.1 CCC[C@H](C)O 036089 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 CCC[N+](=O)[O-] 520877 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 CN(C)CCS 450419 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.1 CNCC(=O)O 095119 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 COCC(=O)O 237785 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 CSCC(=O)O 010416 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 C[C@@H](O)CCO 041923 [1,0,0,0,0,0|2,1,0]=4 35 B5R0.1 C[C@H](O)CCO 041922 [1,0,0,0,0,0|2,1,0]=4 36 B5R0.1 N#CCC(=O)O 098058 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 NC(=O)CCBr 456436 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 NC(=O)CCCl 180018 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.1 NCCC(=O)O 044720 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.1 NCCC(N)=O 221578 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.1 NOCC(=O)O 222804 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.1 O=C(Cl)CCBr 104627 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 O=C(Cl)CCCl 095162 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 O=C(O)CCBr 003025 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 O=C(O)CCCl 242740 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 O=C(O)CCI 003069 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.1 O=C(O)CCO 147100 [1,0,0,0,0,0|1,1,0]=3 48 B5R0.1 O=C(O)CCS 094485 [1,0,0,0,0,0|1,0,0]=2 49 B5R0.1 O=[N+]([O-])CCO 358303 [1,0,0,0,0,0|1,1,1]=4 50 B5R0.4 C=CS(C)(=O)=O 001782 [1,0,0,0,0,0|1,0,2]=4 51 B5R0.4 CCC(C)(C)O 094937 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.4 CCC(C)(C)O 094938 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.4 CCC(C)(C)O 098852 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.4 CCS(=O)(=O)Cl 044992 [1,0,0,0,0,0|1,0,0]=2 55 B5R0.4 CCS(N)(=O)=O 022080 [1,0,0,0,0,0|1,0,0]=2 56 B5R0.4 CNS(C)(=O)=O 078577 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.4 COS(=O)(=O)[O-] 005437 [1,0,0,0,0,0|1,0,1]=3 58 B5R0.4 COS(=O)(=O)[O-] 044670 [1,0,0,0,0,0|1,0,1]=3 59 B5R0.4 CS(=O)(=O)NN 321633 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.4 NCP(=O)(O)O 386319 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.4 NOS(=O)(=O)O 078667 [1,0,0,0,0,0|2,0,0]=3 62 B5R0.4 O=S(=O)([O-])CO 098680 [1,0,0,0,0,0|0,1,1]=3 63 B5R0.4 O=S(=O)([O-])OO 094908 [1,0,0,0,0,0|1,1,1]=4 64 B7R0.8 CCCCS(=O)(=O)Cl 021387 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.8 CCCCS(N)(=O)=O 034678 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.8 CNCCS(=O)(=O)[O-] 227473 [0,1,0,0,0,0|1,0,1]=3 67 B7R0.8 CS(=O)(=O)CCCO 233969 [0,1,0,0,0,0|1,1,0]=3 68 B7R0.8 CS(=O)(=O)OCCCl 099605 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.8 NCCCP(=O)(O)O 077716 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.8 NCCCS(=O)(=O)O 358464 [0,1,0,0,0,0|1,0,0]=2 71 B7R0.8 NCCOP(=O)(O)O 010650 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.8 NCCOS(=O)(=O)O 226245 [0,1,0,0,0,0|1,0,0]=2 73 B7R0.8 O=S(=O)(Cl)CCCCl 049263 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.8 O=S(=O)([O-])CCCO 239232 [0,1,0,0,0,0|0,1,1]=3 75 B7R0.8 O=S(=O)([O-])CCCS 005925 [0,1,0,0,0,0|0,0,1]=2 76 B7R0.9 C=C(C)CS(=O)(=O)[O-] 464358 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.9 CC(=O)CS(C)(=O)=O 003502 [0,1,0,0,0,0|1,1,1]=4 78 B7R0.9 CC(C)CS(=O)(=O)Cl 069682 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.9 CC(C)CS(N)(=O)=O 098399 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.9 CC(C)OS(C)(=O)=O 318154 [0,1,0,0,0,0|3,0,0]=4 81 B7R0.9 CS(=O)(=O)CC(=O)O 003739 [0,1,0,0,0,0|1,1,1]=4 82 B7R0.9 O=C(Cl)CS(=O)(=O)Cl 103934 [0,1,0,0,0,0|1,1,1]=4 83 B7R0.11 CCS(=O)(=O)CCO 003464 [0,1,0,0,0,0|1,1,0]=3 84 B7R0.14 CCC(C)S(=O)(=O)Cl 021388 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.14 CCC(C)S(=O)(=O)F 044898 [0,1,0,0,0,0|2,0,0]=3 86 B7R0.14 CCN(C)S(=O)(=O)Cl 044632 [0,1,0,0,0,0|3,0,0]=4 87 B7R1.14 O=S1(=O)CC=CC1 095126 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.14 O=S1(=O)CCCC1 044698 [0,0,0,1,0,0|2,0,0]=3 89 B7R1.14 O=S1(=O)CCCC1 102836 [0,0,0,1,0,0|2,0,0]=3 90 B7R1.14 O=S1(=O)CCCO1 047727 [0,0,0,1,0,0|1,0,0]=2 91 B7R1.14 O=S1(=O)OCCO1 242809 [0,0,0,1,0,0|2,0,0]=3 92 B7R1.26 NS(=O)(=O)C1CC1 043451 [0,0,0,1,0,0|2,0,0]=3 93 B7R1.26 O=S(=O)(Cl)C1CC1 023327 [0,0,0,1,0,0|2,0,0]=3 94 B4R0.1 CCB(O)O 065613 [2,0,0,0,0,0|1,0,1]=4 95 B4R0.1 CCC(=O)Br BR1194 [2,0,0,0,0,0|2,0,0]=4 96 B4R0.1 CCC(=O)Cl 098881 [2,0,0,0,0,0|2,0,0]=4 97 B4R0.1 CCC(=O)O 098214 [2,0,0,0,0,0|1,0,0]=3 98 B4R0.1 CCC(=O)O 104856 [2,0,0,0,0,0|1,0,0]=3 99 B4R0.1 CCC(=O)[O-] 105990 [2,0,0,0,0,0|1,0,1]=4 100 B4R0.1 CCC(=O)[O-] 106505 [2,0,0,0,0,0|1,0,1]=4 101 B4R0.1 CCC(C)=O 046806 [2,0,0,0,0,0|2,0,0]=4 102 B4R0.1 CCC(C)=O 075238 [2,0,0,0,0,0|2,0,0]=4 103 B4R0.1 CCC(C)=O 101973 [2,0,0,0,0,0|2,0,0]=4 104 B4R0.1 CCC(C)=O 102570 [2,0,0,0,0,0|2,0,0]=4 105 B4R0.1 CCC(C)O 080268 [2,0,0,0,0,0|2,0,0]=4 106 B4R0.1 CCC(N)=O 069325 [2,0,0,0,0,0|2,0,0]=4 107 B4R0.1 CCS(=O)[O-] 035597 [2,0,0,0,0,0|0,0,2]=4 108 B4R0.1 CC[C@H](C)O 036066 [2,0,0,0,0,0|2,0,0]=4 109 B4R0.1 NC(=O)CS 069297 [2,0,0,0,0,0|2,0,0]=4 110 B4R0.1 NCC(=O)O 105741 [2,0,0,0,0,0|2,0,0]=4 111 B4R0.1 NCC(=O)O 229198 [2,0,0,0,0,0|2,0,0]=4 112 B4R0.1 NCC(=O)O M03001 [2,0,0,0,0,0|2,0,0]=4 113 B4R0.1 O=C(O)CBr 004135 [2,0,0,0,0,0|2,0,0]=4 114 B4R0.1 O=C(O)CCl 095375 [2,0,0,0,0,0|2,0,0]=4 115 B4R0.1 O=C(O)CI 520348 [2,0,0,0,0,0|2,0,0]=4 116 B4R0.1 O=C(O)CO 058235 [2,0,0,0,0,0|1,1,0]=4 117 B4R0.1 O=C(O)CO 103022 [2,0,0,0,0,0|1,1,0]=4 118 B4R0.1 O=C(O)CS 097732 [2,0,0,0,0,0|1,0,0]=3 119 B4R0.1 O=C([O-])CS 106508 [2,0,0,0,0,0|1,0,1]=4 120 B4R0.1 [15NH2][13CH2]C(=O)O 103447 [2,0,0,0,0,0|2,0,0]=4 121 B4R0.2 CCCC=O 094987 [2,0,0,0,0,0|2,0,0]=4 122 B4R0.2 CCCCO 035921 [2,0,0,0,0,0|2,0,0]=4 123 B4R0.2 CCCCO 075156 [2,0,0,0,0,0|2,0,0]=4 124 B4R0.2 CCCCO 101601 [2,0,0,0,0,0|2,0,0]=4 125 B4R0.2 CCCCS 046727 [2,0,0,0,0,0|2,0,0]=4 126 B4R0.2 NCCCO 099680 [2,0,0,0,0,0|2,0,0]=4 127 B4R0.2 OCCCBr 047460 [2,0,0,0,0,0|2,0,0]=4 128 B4R0.2 OCCCCl 024840 [2,0,0,0,0,0|2,0,0]=4 129 B4R0.2 OCCCF 010306 [2,0,0,0,0,0|2,0,0]=4 130 B4R0.2 OCCCI 002583 [2,0,0,0,0,0|2,0,0]=4 131 B4R0.2 OCCCO 095066 [2,0,0,0,0,0|1,1,0]=4 132 B4R0.2 SCCCCl 099136 [2,0,0,0,0,0|2,0,0]=4 133 B4R0.2 SCCCS 101936 [2,0,0,0,0,0|1,1,0]=4 134 B4R0.3 CS(=O)(=O)Cl 009736 [2,0,0,0,0,0|1,0,0]=3 135 B4R0.3 CS(=O)(=O)F 002449 [2,0,0,0,0,0|1,0,0]=3 136 B4R0.3 CS(=O)(=O)O 104028 [2,0,0,0,0,0|0,0,0]=2 137 B4R0.3 CS(=O)(=O)O 152800 [2,0,0,0,0,0|0,0,0]=2 138 B4R0.3 CS(C)(=O)=O 358427 [2,0,0,0,0,0|1,0,0]=3 139 B4R0.3 CS(N)(=O)=O 003505 [2,0,0,0,0,0|1,0,0]=3 140 B4R0.3 C[Re](=O)(=O)=O 050673 [2,0,0,0,0,0|1,0,1]=4 141 B4R0.3 NS(=O)(=O)O 093965 [2,0,0,0,0,0|1,0,0]=3 142 B4R0.3 NS(=O)(=O)O 103807 [2,0,0,0,0,0|1,0,0]=3 143 B4R0.3 NS(=O)(=O)[O-] 101513 [2,0,0,0,0,0|1,0,1]=4 144 B4R0.3 NS(=O)(=O)[O-] 242178 [2,0,0,0,0,0|1,0,1]=4 145 B4R0.3 NS(N)(=O)=O 208597 [2,0,0,0,0,0|2,0,0]=4 146 B4R0.3 O=Cl(=O)(=O)O 104741 [2,0,0,0,0,0|1,1,0]=4 147 B4R0.3 O=I(=O)(=O)O 099761 [2,0,0,0,0,0|1,1,0]=4 148 B4R0.3 O=S(=O)(Cl)Cl 099489 [2,0,0,0,0,0|2,0,0]=4 149 B4R0.3 O=S(=O)(O)Cl 044858 [2,0,0,0,0,0|1,0,0]=3 150 B4R0.3 O=S(=O)(O)O 094432 [2,0,0,0,0,0|0,1,0]=3 151 B4R0.3 O=S(=O)(O)O 094702 [2,0,0,0,0,0|0,1,0]=3 152 B4R0.3 O=S(=O)(O)O 098361 [2,0,0,0,0,0|0,1,0]=3 153 B4R0.3 O=S(=O)(O)O 098802 [2,0,0,0,0,0|0,1,0]=3 154 B4R0.3 O=S(=O)(O)O 098842 [2,0,0,0,0,0|0,1,0]=3 155 B4R0.3 O=S(=O)(O)O 099133 [2,0,0,0,0,0|0,1,0]=3 156 B4R0.3 O=S(=O)(O)O 099364 [2,0,0,0,0,0|0,1,0]=3 157 B4R0.3 O=S(=O)(O)O 099477 [2,0,0,0,0,0|0,1,0]=3 158 B4R0.3 O=S(=O)(O)O 099651 [2,0,0,0,0,0|0,1,0]=3 159 B4R0.3 O=S(=O)(O)O 102126 [2,0,0,0,0,0|0,1,0]=3 160 B4R0.3 O=S(=O)(O)O 102138 [2,0,0,0,0,0|0,1,0]=3 161 B4R0.3 O=S(=O)(O)O 102240 [2,0,0,0,0,0|0,1,0]=3 162 B4R0.3 O=S(=O)(O)O 102627 [2,0,0,0,0,0|0,1,0]=3 163 B4R0.3 O=S(=O)(O)O 104078 [2,0,0,0,0,0|0,1,0]=3 164 B4R0.3 O=S(=O)(O)O 104724 [2,0,0,0,0,0|0,1,0]=3 165 B4R0.3 O=S(=O)(O)O 105822 [2,0,0,0,0,0|0,1,0]=3 166 B4R0.3 O=S(=O)(O)O 238783 [2,0,0,0,0,0|0,1,0]=3 167 B4R0.3 O=S(=O)([O-])O 091214 [2,0,0,0,0,0|0,1,0]=3 168 B4R0.3 O=S(=O)([O-])O 097620 [2,0,0,0,0,0|0,1,0]=3 169 B4R0.3 O=S(=O)([O-])O 102957 [2,0,0,0,0,0|0,1,0]=3 170 B4R0.3 O=S(=O)([O-])[O-] 044701 [2,0,0,0,0,0|0,1,1]=4 171 B4R0.3 O=S(=O)([O-])[O-] 044702 [2,0,0,0,0,0|0,1,1]=4 172 B4R0.3 O=S(=O)([O-])[O-] 044725 [2,0,0,0,0,0|0,1,1]=4 173 B4R0.3 O=S(=O)([O-])[O-] 050637 [2,0,0,0,0,0|0,1,1]=4 174 B4R0.3 O=S(=O)([O-])[O-] 094405 [2,0,0,0,0,0|0,1,1]=4 175 B4R0.3 O=S(=O)([O-])[O-] 094604 [2,0,0,0,0,0|0,1,1]=4 176 B4R0.3 O=S(=O)([O-])[O-] 094670 [2,0,0,0,0,0|0,1,1]=4 177 B4R0.3 O=S(=O)([O-])[O-] 094745 [2,0,0,0,0,0|0,1,1]=4 178 B4R0.3 O=S(=O)([O-])[O-] 094788 [2,0,0,0,0,0|0,1,1]=4 179 B4R0.3 O=S(=O)([O-])[O-] 094796 [2,0,0,0,0,0|0,1,1]=4 180 B4R0.3 O=S(=O)([O-])[O-] 095808 [2,0,0,0,0,0|0,1,1]=4 181 B4R0.3 O=S(=O)([O-])[O-] 098111 [2,0,0,0,0,0|0,1,1]=4 182 B4R0.3 O=S(=O)([O-])[O-] 098112 [2,0,0,0,0,0|0,1,1]=4 183 B4R0.3 O=S(=O)([O-])[O-] 098113 [2,0,0,0,0,0|0,1,1]=4 184 B4R0.3 O=S(=O)([O-])[O-] 098114 [2,0,0,0,0,0|0,1,1]=4 185 B4R0.3 O=S(=O)([O-])[O-] 098115 [2,0,0,0,0,0|0,1,1]=4 186 B4R0.3 O=S(=O)([O-])[O-] 098204 [2,0,0,0,0,0|0,1,1]=4 187 B4R0.3 O=S(=O)([O-])[O-] 098205 [2,0,0,0,0,0|0,1,1]=4 188 B4R0.3 O=S(=O)([O-])[O-] 098210 [2,0,0,0,0,0|0,1,1]=4 189 B4R0.3 O=S(=O)([O-])[O-] 098533 [2,0,0,0,0,0|0,1,1]=4 190 B4R0.3 O=S(=O)([O-])[O-] 098813 [2,0,0,0,0,0|0,1,1]=4 191 B4R0.3 O=S(=O)([O-])[O-] 099417 [2,0,0,0,0,0|0,1,1]=4 192 B4R0.3 O=S(=O)([O-])[O-] 099501 [2,0,0,0,0,0|0,1,1]=4 193 B4R0.3 O=S(=O)([O-])[O-] 099690 [2,0,0,0,0,0|0,1,1]=4 194 B4R0.3 O=S(=O)([O-])[O-] 099728 [2,0,0,0,0,0|0,1,1]=4 195 B4R0.3 O=S(=O)([O-])[O-] 099747 [2,0,0,0,0,0|0,1,1]=4 196 B4R0.3 O=S(=O)([O-])[O-] 101922 [2,0,0,0,0,0|0,1,1]=4 197 B4R0.3 O=S(=O)([O-])[O-] 101998 [2,0,0,0,0,0|0,1,1]=4 198 B4R0.3 O=S(=O)([O-])[O-] 102109 [2,0,0,0,0,0|0,1,1]=4 199 B4R0.3 O=S(=O)([O-])[O-] 102176 [2,0,0,0,0,0|0,1,1]=4 200 B4R0.3 O=S(=O)([O-])[O-] 102374 [2,0,0,0,0,0|0,1,1]=4 201 B4R0.3 O=S(=O)([O-])[O-] 102567 [2,0,0,0,0,0|0,1,1]=4 202 B4R0.3 O=S(=O)([O-])[O-] 102706 [2,0,0,0,0,0|0,1,1]=4 203 B4R0.3 O=S(=O)([O-])[O-] 102752 [2,0,0,0,0,0|0,1,1]=4 204 B4R0.3 O=S(=O)([O-])[O-] 102885 [2,0,0,0,0,0|0,1,1]=4 205 B4R0.3 O=S(=O)([O-])[O-] 102956 [2,0,0,0,0,0|0,1,1]=4 206 B4R0.3 O=S(=O)([O-])[O-] 103012 [2,0,0,0,0,0|0,1,1]=4 207 B4R0.3 O=S(=O)([O-])[O-] 103530 [2,0,0,0,0,0|0,1,1]=4 208 B4R0.3 O=S(=O)([O-])[O-] 103531 [2,0,0,0,0,0|0,1,1]=4 209 B4R0.3 O=S(=O)([O-])[O-] 103627 [2,0,0,0,0,0|0,1,1]=4 210 B4R0.3 O=S(=O)([O-])[O-] 103690 [2,0,0,0,0,0|0,1,1]=4 211 B4R0.3 O=S(=O)([O-])[O-] 103941 [2,0,0,0,0,0|0,1,1]=4 212 B4R0.3 O=S(=O)([O-])[O-] 105546 [2,0,0,0,0,0|0,1,1]=4 213 B4R0.3 O=S(=O)([O-])[O-] 190872 [2,0,0,0,0,0|0,1,1]=4 214 B4R0.3 O=S(=O)([O-])[O-] 492445 [2,0,0,0,0,0|0,1,1]=4 215 B4R0.3 O=S(=O)([O-])[O-] 492449 [2,0,0,0,0,0|0,1,1]=4 216 B4R0.3 O=S(=O)([O-])[O-] 492456 [2,0,0,0,0,0|0,1,1]=4 217 B4R0.3 O=S(=O)([O-])[O-] 492479 [2,0,0,0,0,0|0,1,1]=4 218 B4R0.3 O=S(=O)([O-])[O-] 492488 [2,0,0,0,0,0|0,1,1]=4 219 B4R0.3 O=S(=O)([O-])[O-] 494088 [2,0,0,0,0,0|0,1,1]=4 220 B4R0.3 O=S(=O)([O-])[O-] 494091 [2,0,0,0,0,0|0,1,1]=4 221 B4R0.3 O=S(=O)([O-])[O-] 494340 [2,0,0,0,0,0|0,1,1]=4 222 B4R0.3 O=S(=O)([O-])[O-] 494401 [2,0,0,0,0,0|0,1,1]=4 223 B4R0.3 O=S(=O)([O-])[O-] M06297 [2,0,0,0,0,0|0,1,1]=4 224 B4R0.3 O=S(=O)([O-])[S-] 098838 [2,0,0,0,0,0|0,0,2]=4 225 B4R0.3 O=S(=O)([O-])[S-] 101888 [2,0,0,0,0,0|0,0,2]=4 226 B4R0.3 O=S(=O)([O-])[S-] 102835 [2,0,0,0,0,0|0,0,2]=4 227 B4R0.3 O=S(=O)([O-])[S-] 102923 [2,0,0,0,0,0|0,0,2]=4 228 B4R0.3 O=[Mo](=O)(O)O 094597 [2,0,0,0,0,0|1,1,0]=4 229 B4R0.3 O=[Mo](=O)(O)O 102688 [2,0,0,0,0,0|1,1,0]=4 230 B4R0.3 O=[W](=O)(O)O 095122 [2,0,0,0,0,0|1,1,0]=4 231 B6R0.1 CCCC(=O)OC 358407 [1,1,0,0,0,0|2,0,0]=4 232 B6R0.1 COC(=O)CCBr 216315 [1,1,0,0,0,0|2,0,0]=4 233 B6R0.1 COC(=O)CCI 103108 [1,1,0,0,0,0|2,0,0]=4 234 B6R0.1 COC(=O)CCN 032703 [1,1,0,0,0,0|2,0,0]=4 235 B6R0.1 COC(=O)CCO 223297 [1,1,0,0,0,0|1,1,0]=4 236 B6R0.1 COC(=O)CCS 053164 [1,1,0,0,0,0|1,0,0]=3 237 B6R0.2 CC(C)CC(=O)O 242835 [1,1,0,0,0,0|2,0,0]=4 238 B6R0.2 CC(N)CC(=O)O 208617 [1,1,0,0,0,0|2,0,0]=4 239 B6R0.2 C[C@@H](N)CC(=O)O 034436 [1,1,0,0,0,0|2,0,0]=4 240 B6R0.2 C[C@@H](N)CC(=O)O 078594 [1,1,0,0,0,0|2,0,0]=4 241 B6R0.3 CC(CN)C(=O)O 226386 [1,1,0,0,0,0|2,0,0]=4 242 B6R0.3 CCC(Br)C(=O)O 242857 [1,1,0,0,0,0|2,0,0]=4 243 B6R0.3 CCC(C)C(=O)O 155900 [1,1,0,0,0,0|2,0,0]=4 244 B6R0.3 CCC(N)C(=O)O M01290 [1,1,0,0,0,0|2,0,0]=4 245 B6R0.3 CC[C@@H](N)C(=O)O 044880 [1,1,0,0,0,0|2,0,0]=4 246 B6R0.3 CC[C@H](N)C(=O)O 024718 [1,1,0,0,0,0|2,0,0]=4 247 B6R0.3 C[C@@H](CN)C(=O)O 215235 [1,1,0,0,0,0|2,0,0]=4 248 B6R0.3 NC(CO)C(=O)O 093750 [1,1,0,0,0,0|1,1,0]=4 249 B6R0.3 NC(CS)C(=O)O 241173 [1,1,0,0,0,0|1,0,0]=3 250 B6R0.3 NC[C@H](O)C(=O)O 222535 [1,1,0,0,0,0|2,0,0]=4 251 B6R0.3 N[C@@H](CO)C(=O)O 043859 [1,1,0,0,0,0|1,1,0]=4 252 B6R0.3 N[C@@H](CS)C(=O)O 093727 [1,1,0,0,0,0|1,0,0]=3 253 B6R0.3 N[C@@H](CS)C(=O)O 102087 [1,1,0,0,0,0|1,0,0]=3 254 B6R0.3 N[C@@H](CS)C(=O)O 318726 [1,1,0,0,0,0|1,0,0]=3 255 B6R0.3 N[C@@H](CS)C(=O)O M03086 [1,1,0,0,0,0|1,0,0]=3 256 B6R0.3 N[C@H](CO)C(=O)O 011887 [1,1,0,0,0,0|1,1,0]=4 257 B6R0.3 N[C@H](CS)C(=O)O 036386 [1,1,0,0,0,0|1,0,0]=3 258 B6R0.3 N[C@H](CS)C(=O)O 049424 [1,1,0,0,0,0|1,0,0]=3 259 B6R0.3 O=C(O)C(Br)CBr 077984 [1,1,0,0,0,0|2,0,0]=4 260 B6R0.3 O=C(O)C(O)CO 143500 [1,1,0,0,0,0|1,1,0]=4 261 B6R0.4 C#CCCC(=O)O 164204 [1,1,0,0,0,0|2,0,0]=4 262 B6R0.4 C=CCCC(=O)O 002777 [1,1,0,0,0,0|2,0,0]=4 263 B6R0.4 CC(=O)NCCS 106473 [1,1,0,0,0,0|2,0,0]=4 264 B6R0.4 CCCCC(=O)O 066625 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.4 CCOCC(=O)O 461062 [1,1,0,0,0,0|2,0,0]=4 266 B6R0.4 CCSCC(=O)O 001760 [1,1,0,0,0,0|2,0,0]=4 267 B6R0.4 COCCC(=O)O 091199 [1,1,0,0,0,0|1,1,0]=4 268 B6R0.4 CSCCC(=O)O 013666 [1,1,0,0,0,0|1,0,0]=3 269 B6R0.4 NCCCC(=O)O 005047 [1,1,0,0,0,0|2,0,0]=4 270 B6R0.4 O=C(O)CCCBr 043390 [1,1,0,0,0,0|2,0,0]=4 271 B6R0.4 O=CCCC(=O)O 103323 [1,1,0,0,0,0|1,1,0]=4 272 B6R0.7 CC(C)S(=O)(=O)Cl 001772 [1,1,0,0,0,0|1,0,0]=3 273 B6R0.7 CC(C)S(N)(=O)=O 230484 [1,1,0,0,0,0|1,0,0]=3 274 B6R0.7 CN(C)S(=O)(=O)Cl 094118 [1,1,0,0,0,0|2,0,0]=4 275 B6R0.7 CN(C)S(C)(=O)=O 003721 [1,1,0,0,0,0|2,0,0]=4 276 B6R0.7 CN(C)S(N)(=O)=O 069365 [1,1,0,0,0,0|2,0,0]=4 277 B6R0.7 O=S(=O)(Cl)C(F)F 097711 [1,1,0,0,0,0|2,0,0]=4 278 B6R0.8 C=CS(=O)(=O)CC 002475 [1,1,0,0,0,0|1,0,0]=3 279 B6R0.8 COS(=O)(=O)OC 098977 [1,1,0,0,0,0|1,0,0]=3 280 B6R0.8 [2H]OS(=O)(=O)O[2H] 105529 [1,1,0,0,0,0|2,0,0]=4 281 B8R0.14 CCCC(C)S(=O)(=O)Cl 021390 [0,2,0,0,0,0|2,0,0]=4 282 B8R0.21 CCCCCS(=O)(=O)Cl 021389 [0,2,0,0,0,0|2,0,0]=4 283 B8R0.21 CCCCCS(=O)(=O)[O-] 008051 [0,2,0,0,0,0|1,0,1]=4 284 B8R0.21 CCCCOS(C)(=O)=O 003699 [0,2,0,0,0,0|2,0,0]=4 285 B8R0.27 CC(C)C(C)S(=O)(=O)Cl 069683 [0,2,0,0,0,0|2,0,0]=4 286 B8R0.33 O=S(=O)(Cl)CC(F)(F)F 007513 [0,2,0,0,0,0|2,0,0]=4 287 B8R0.30 CCCS(=O)(=O)CCC 008053 [0,2,0,0,0,0|2,0,0]=4 288 B8R0.30 CCOS(=O)(=O)OCC 098985 [0,2,0,0,0,0|2,0,0]=4 289 B8R0.30 O=S(=O)(CCO)CCO 241263 [0,2,0,0,0,0|0,1,0]=3 290 B6R1.2 O=C1CCSC1 214765 [1,0,0,1,0,0|2,0,0]=4 291 B6R1.11 O=C(O)C1CC1 009113 [1,0,0,1,0,0|2,0,0]=4 292 B8R1.51 NC1CCS(=O)(=O)C1 065028 [0,1,0,1,0,0|2,0,0]=4 293 B8R1.72 O=S1(=O)CCCCO1 216438 [0,1,0,1,0,0|1,0,0]=3 294 B8R1.72 O=S1(=O)CCNCC1 214860 [0,1,0,1,0,0|2,0,0]=4