0 B6R0.4 C#CCOC(=O)Cl SC-71217 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.4 C=C(C)CNCC SC-47240 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.4 C=CCCC(=O)O SC-25836 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.4 C=CCOC(=O)Cl SC-18715 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.4 C=CNCC(=O)O SC-20808 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.4 CC(=O)CCCBr SC-91341 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.4 CC(=O)NCCN SC-19651 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.4 CCCCC(=O)Cl SC-46867 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.4 CC\C=C\C(=O)O SC-92876 [0,0,0,0,0,0|0,0,2]=2 9 B6R0.4 CN(C)CCCBr SC-12824 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.4 CN(C)CCCBr SC-48972 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.4 CN(C)CCCCl SC-18516 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.4 CN(C)CCCCl SC-53120 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.4 CNCCC(=O)O SC-27492 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.4 CNCCC(=O)O SC-52914 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.4 CNCCN(C)C SC-29103 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.4 COCCC(=O)O SC-50255 [0,0,0,0,0,0|1,0,0]=1 17 B6R0.4 COCCN(C)C SC-21743 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.4 CO\C=C\C(C)=O SC-71024 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.4 CSCCC(=O)O SC-96567 [0,0,0,0,0,0|1,0,0]=1 20 B6R0.4 NCCCC(=O)O SC-10045 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.4 O=C(Cl)CCCBr SC-70369 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.4 O=C(O)C#CCO SC-89192 [0,0,0,0,0,0|1,0,2]=3 23 B6R0.4 O=C(O)CCCCl SC-89723 [0,0,0,0,0,0|1,0,0]=1 24 B6R0.4 O=C(O)\C=C\CBr SC-53654 [0,0,0,0,0,0|1,0,2]=3 25 B5R0.1 C#CCC(=O)O SC-40344 [1,0,0,0,0,0|0,0,2]=3 26 B5R0.1 C=C(C)CCBr SC-26305 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 C=C(C)OCC SC-18086 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.1 C=CCC(=O)O SC-49093 [1,0,0,0,0,0|0,0,2]=3 29 B5R0.1 CC#CC(=O)O SC-76460 [1,0,0,0,0,0|0,0,2]=3 30 B5R0.1 CC(=O)CC#N SC-26510 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CC(=O)CCCl SC-21586 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.1 CC(=O)CCO SC-65678 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.1 CC(=O)OCBr SC-44237 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 CCCB(O)O SC-47544 [1,0,0,0,0,0|1,0,1]=3 35 B5R0.1 CCCC(=N)N SC-19347 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.1 CCCC(=O)Cl SC-18924 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.1 CCCC(=O)[O-] SC-15718 [1,0,0,0,0,0|0,0,1]=2 38 B5R0.1 CCCC(C)N SC-53929 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 CCCC(C)O SC-03320 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.1 CCCC(N)=O SC-46377 [1,0,0,0,0,0|1,0,0]=2 41 B5R0.1 CCN=C(N)N SC-15057 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.1 CCOC(=S)[S-] SC-62877 [1,0,0,0,0,0|1,2,0]=4 43 B5R0.1 CCOC(C)=N SC-02547 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 CCOC(C)=N SC-A3540 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.1 CCOC(N)=O SC-16133 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 CCSC(=N)N SC-20585 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.1 CCSC(=N)N SC-53442 [1,0,0,0,0,0|3,0,0]=4 48 B5R0.1 CNCC(=O)O SC-10425 [1,0,0,0,0,0|1,0,0]=2 49 B5R0.1 CNCC(N)=O SC-10429 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.1 COCC(=N)N SC-41213 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.1 COCC(=N)N SC-73218 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.1 COCC(=O)Cl SC-27381 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.1 COCC(C)O SC-00293 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.1 COC[C@@H](C)O SC-04836 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.1 CS(=O)CCN SC-89327 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.1 CSCS(C)=O SC-87090 [1,0,0,0,0,0|3,0,0]=4 57 B5R0.1 CSNC(C)=O SC-28667 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.1 C[C@@H](O)CCO SC-05919 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.1 C[C@H](O)CCO SC-02840 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.1 C\C=C/C(=O)O SC-25924 [1,0,0,0,0,0|0,0,2]=3 61 B5R0.1 C\C=C/C(C)=O SC-48085 [1,0,0,0,0,0|1,0,2]=4 62 B5R0.1 C\C=C\C(=O)Cl SC-16256 [1,0,0,0,0,0|1,0,2]=4 63 B5R0.1 N#CCC(=O)O SC-18648 [1,0,0,0,0,0|1,0,1]=3 64 B5R0.1 N#CCC(N)=O SC-26759 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.1 NCCC(=O)O SC-10014 [1,0,0,0,0,0|1,0,0]=2 66 B5R0.1 NCCC(N)=O SC-48688 [1,0,0,0,0,0|2,0,0]=3 67 B5R0.1 NCCC(N)=O SC-84499 [1,0,0,0,0,0|2,0,0]=3 68 B5R0.1 O=C(Cl)CCCl SC-16310 [1,0,0,0,0,0|2,0,0]=3 69 B5R0.1 O=C(O)CCBr SC-18441 [1,0,0,0,0,0|1,0,0]=2 70 B5R0.1 O=C(O)CCS SC-22642 [1,0,0,0,0,0|1,0,0]=2 71 B5R0.2 C#CCCCCl SC-46678 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.2 C#CCCCI SC-A2786 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.2 C#CCCCN SC-48603 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.2 C#CCCCN SC-99931 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.2 C=CCCCBr SC-47340 [1,0,0,0,0,0|2,0,0]=3 76 B5R0.2 C=CCCCN SC-28944 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.2 C=CCCCO SC-78424 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.2 C=CCSSC SC-87236 [1,0,0,0,0,0|3,0,0]=4 79 B5R0.2 C=COCCO SC-22660 [1,0,0,0,0,0|3,0,0]=4 80 B5R0.2 CC#CCC=O SC-89818 [1,0,0,0,0,0|0,0,2]=3 81 B5R0.2 CCCCNN SC-68008 [1,0,0,0,0,0|2,0,0]=3 82 B5R0.2 CCSCCCl SC-43710 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.2 CNCCC#N SC-15494 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.2 CNCCCO SC-94106 [1,0,0,0,0,0|1,0,1]=3 85 B5R0.2 CNCCNC SC-19090 [1,0,0,0,0,0|3,0,0]=4 86 B5R0.2 CNCCOC SC-15056 [1,0,0,0,0,0|3,0,0]=4 87 B5R0.2 CNCCSC SC-74374 [1,0,0,0,0,0|3,0,0]=4 88 B5R0.2 CNCCSC SC-83575 [1,0,0,0,0,0|3,0,0]=4 89 B5R0.2 COCCC=O SC-85357 [1,0,0,0,0,0|1,0,0]=2 90 B5R0.2 COCCCBr SC-20920 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.2 COCCNN SC-53129 [1,0,0,0,0,0|3,0,0]=4 92 B5R0.2 COCCNN SC-70814 [1,0,0,0,0,0|3,0,0]=4 93 B5R0.2 C\C=C\OCC SC-89361 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.2 ClCCCCBr SC-17538 [1,0,0,0,0,0|2,0,1]=4 95 B5R0.2 FCCCCBr SC-43880 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.2 ICCCCI SC-69402 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.2 N#CCCCBr SC-20060 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.2 N#CCCCCl SC-16423 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.2 NCCCCCl SC-14246 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.2 NCCCCN SC-20919 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.2 NCCCCO SC-48186 [1,0,0,0,0,0|1,0,1]=3 102 B5R0.2 O=C=NCCBr SC-82407 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.2 O=C=NCCCl SC-13627 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.2 O=CCCC=O SC-13455 [1,0,0,0,0,0|1,0,1]=3 105 B5R0.2 O=CCCCBr SC-69595 [1,0,0,0,0,0|1,0,0]=2 106 B5R0.2 OCCCCBr SC-12645 [1,0,0,0,0,0|1,0,1]=3 107 B5R0.2 OCCCCCl SC-23109 [1,0,0,0,0,0|1,0,1]=3 108 B7R0.2 CCC(C)CC(=O)O SC-19132 [0,1,0,0,0,0|0,0,0]=1 109 B7R0.2 CCC(N)CC(=O)O SC-59260 [0,1,0,0,0,0|0,0,0]=1 110 B7R0.2 CCC(O)CC(C)=O SC-92943 [0,1,0,0,0,0|1,0,0]=2 111 B7R0.2 COC(=O)CC(=O)Cl SC-16087 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.2 COC(=O)CC(=O)O SC-21351 [0,1,0,0,0,0|1,0,1]=3 113 B7R0.2 NCC(O)CC(=O)O SC-50844 [0,1,0,0,0,0|1,0,0]=2 114 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [0,1,0,0,0,0|1,0,0]=2 115 B7R0.3 C#CCCC(=O)OC SC-92252 [0,1,0,0,0,0|0,0,2]=3 116 B7R0.3 C=CCOC(=O)OC SC-82329 [0,1,0,0,0,0|1,0,2]=4 117 B7R0.3 CCCCC(=N)OC SC-91480 [0,1,0,0,0,0|1,0,0]=2 118 B7R0.3 CCCCC(Br)CBr SC-94096 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.3 CCCCC(O)CO SC-74356 [0,1,0,0,0,0|0,0,2]=3 120 B7R0.3 CCOCC(Cl)OC SC-94025 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.3 CCOCC(O)CO SC-90419 [0,1,0,0,0,0|1,0,2]=4 122 B7R0.3 COC(=O)C#CCO SC-48272 [0,1,0,0,0,0|1,0,2]=4 123 B7R0.3 COC(=O)CCC=O SC-47529 [0,1,0,0,0,0|1,0,1]=3 124 B7R0.3 COC(=O)CCCCl SC-15079 [0,1,0,0,0,0|1,0,0]=2 125 B7R0.3 COC(=O)CN=C=O SC-49023 [0,1,0,0,0,0|2,0,1]=4 126 B7R0.3 COC(=O)CN=[N+]=[N-] SC-96313 [0,1,0,0,0,0|3,0,0]=4 127 B7R0.3 COC(=O)\C=C\CBr SC-17676 [0,1,0,0,0,0|1,0,2]=4 128 B7R0.3 COC(=O)\C=C\CBr SC-49570 [0,1,0,0,0,0|1,0,2]=4 129 B7R0.3 COCCC(=O)OC SC-46379 [0,1,0,0,0,0|1,0,0]=2 130 B7R0.3 CO\C=C\C(=O)OC SC-90792 [0,1,0,0,0,0|1,0,2]=4 131 B7R0.3 CSCCC(O)C#N SC-A3341 [0,1,0,0,0,0|2,0,1]=4 132 B7R0.3 [C-]#[N+]CCC(=O)OC SC-88998 [0,1,0,0,0,0|1,0,1]=3 133 B7R0.4 C#CCCCC(=O)O SC-73017 [0,1,0,0,0,0|0,0,1]=2 134 B7R0.4 C#CCNCC(=O)O SC-10418 [0,1,0,0,0,0|0,0,2]=3 135 B7R0.4 C#CCNCC(=O)O SC-10419 [0,1,0,0,0,0|0,0,2]=3 136 B7R0.4 C#CCNCC(=O)O SC-65650 [0,1,0,0,0,0|0,0,2]=3 137 B7R0.4 C=CCCC[N+](=O)[O-] SC-89901 [0,1,0,0,0,0|1,0,2]=4 138 B7R0.4 C=CCNCC(=O)O SC-74362 [0,1,0,0,0,0|0,0,2]=3 139 B7R0.4 C=CCOCC(=O)O SC-49027 [0,1,0,0,0,0|0,0,2]=3 140 B7R0.4 CCCC#CC(=O)O SC-96568 [0,1,0,0,0,0|0,0,1]=2 141 B7R0.4 CCCNCC(=O)O SC-97541 [0,1,0,0,0,0|0,0,0]=1 142 B7R0.4 CCCSCC(=O)O SC-45283 [0,1,0,0,0,0|0,0,0]=1 143 B7R0.4 CCC\C=C\C(C)=O SC-49007 [0,1,0,0,0,0|1,0,1]=3 144 B7R0.4 CCO\C=C\C(=O)Cl SC-50076 [0,1,0,0,0,0|1,0,2]=4 145 B7R0.4 CCO\C=C\C(=O)O SC-89061 [0,1,0,0,0,0|0,0,2]=3 146 B7R0.4 CNCCCC(=O)O SC-49793 [0,1,0,0,0,0|0,0,0]=1 147 B7R0.4 CNCCCC(=O)O SC-A2900 [0,1,0,0,0,0|0,0,0]=1 148 B7R0.4 CNCCCN(C)C SC-95620 [0,1,0,0,0,0|3,0,0]=4 149 B7R0.4 COCCCC(=O)O SC-51378 [0,1,0,0,0,0|0,0,0]=1 150 B7R0.4 COCCNC(N)=O SC-62189 [0,1,0,0,0,0|2,0,0]=3 151 B7R0.4 C\C=C\CCC(=O)O SC-21245 [0,1,0,0,0,0|0,0,1]=2 152 B7R0.4 NC(=O)CCCCBr SC-98143 [0,1,0,0,0,0|1,0,0]=2 153 B7R0.4 NCCCCC(=O)O SC-10120 [0,1,0,0,0,0|0,0,0]=1 154 B7R0.4 NCCCCC(=O)O SC-92391 [0,1,0,0,0,0|0,0,0]=1 155 B7R0.4 NCCCCC(N)=O SC-94858 [0,1,0,0,0,0|1,0,0]=2 156 B7R0.4 NCCCCC(N)=O SC-A4262 [0,1,0,0,0,0|1,0,0]=2 157 B7R0.4 NCCNCC(=O)O SC-21750 [0,1,0,0,0,0|1,0,0]=2 158 B7R0.4 O=C(Cl)CCCCBr SC-13447 [0,1,0,0,0,0|1,0,0]=2 159 B7R0.4 O=C(Cl)CCCCCl SC-16009 [0,1,0,0,0,0|1,0,0]=2 160 B7R0.4 O=C(O)CCCCBr SC-02338 [0,1,0,0,0,0|0,0,0]=1 161 B7R0.4 O=C([O-])COCCO SC-A2671 [0,1,0,0,0,0|1,0,1]=3 162 B7R0.5 C#CC[C@@H](N)C(=O)O SC-A2980 [0,1,0,0,0,0|0,0,2]=3 163 B7R0.5 C=CCC(N)C(=O)O SC-10030 [0,1,0,0,0,0|0,0,2]=3 164 B7R0.5 C=CCC(N)C(=O)O SC-10031 [0,1,0,0,0,0|0,0,2]=3 165 B7R0.5 C=CCC(N)C(=O)O SC-10032 [0,1,0,0,0,0|0,0,2]=3 166 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [0,1,0,0,0,0|0,0,2]=3 167 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [0,1,0,0,0,0|0,0,2]=3 168 B7R0.5 CCCC(Br)C(=O)O SC-27020 [0,1,0,0,0,0|0,0,0]=1 169 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [0,1,0,0,0,0|0,0,0]=1 170 B7R0.5 CCOC(=O)C(=O)Cl SC-26882 [0,1,0,0,0,0|2,0,1]=4 171 B7R0.5 CCOC(=O)C(=O)O SC-26569 [0,1,0,0,0,0|1,0,1]=3 172 B7R0.5 CCOC(=O)C(=O)[O-] SC-73549 [0,1,0,0,0,0|1,0,2]=4 173 B7R0.5 CCOC(=O)C(C)=O SC-15232 [0,1,0,0,0,0|2,0,1]=4 174 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [0,1,0,0,0,0|1,0,0]=2 175 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [0,1,0,0,0,0|1,0,0]=2 176 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [0,1,0,0,0,0|1,0,0]=2 177 B7R0.5 NC(CCO)C(=O)O SC-10290 [0,1,0,0,0,0|1,0,0]=2 178 B7R0.5 NCCC(N)C(=O)O SC-10146 [0,1,0,0,0,0|1,0,0]=2 179 B7R0.5 NCCC(N)C(=O)O SC-20723 [0,1,0,0,0,0|1,0,0]=2 180 B7R0.5 NCCC(N)C(=O)O SC-23452 [0,1,0,0,0,0|1,0,0]=2 181 B7R0.5 NCCC(N)C(=O)O SC-25055 [0,1,0,0,0,0|1,0,0]=2 182 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [0,1,0,0,0,0|1,0,0]=2 183 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [0,1,0,0,0,0|1,0,0]=2 184 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [0,1,0,0,0,0|1,0,0]=2 185 B7R0.6 CC(=O)OCC(C)C SC-25600 [0,1,0,0,0,0|2,0,0]=3 186 B7R0.6 CC(=O)\C=C\C(=O)O SC-94119 [0,1,0,0,0,0|0,0,3]=4 187 B7R0.6 CC(C)CCC(=O)O SC-57917 [0,1,0,0,0,0|0,0,0]=1 188 B7R0.6 CC(C)CC[N+](=O)[O-] SC-93989 [0,1,0,0,0,0|1,0,1]=3 189 B7R0.6 CC(C)CNC(N)=S SC-88305 [0,1,0,0,0,0|2,1,0]=4 190 B7R0.6 CC(C)OCC(=O)O SC-88240 [0,1,0,0,0,0|1,0,0]=2 191 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [0,1,0,0,0,0|1,0,0]=2 192 B7R0.6 CC(O)CCC(C)O SC-92842 [0,1,0,0,0,0|1,0,1]=3 193 B7R0.6 CN(C)CCC(=O)O SC-84721 [0,1,0,0,0,0|1,0,0]=2 194 B7R0.6 CN(C)CCC(=O)O SC-98010 [0,1,0,0,0,0|1,0,0]=2 195 B7R0.6 CN(C)CCC(N)=O SC-89196 [0,1,0,0,0,0|2,0,0]=3 196 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [0,1,0,0,0,0|1,0,0]=2 197 B7R0.6 C[C@H](O)CC[C@H](C)O SC-03635 [0,1,0,0,0,0|1,0,1]=3 198 B7R0.6 N=C(N)CCC(N)=O SC-97509 [0,1,0,0,0,0|2,0,1]=4 199 B7R0.6 O=C(O)CCC(=O)O SC-47173 [0,1,0,0,0,0|1,0,1]=3 200 B7R0.8 CCCNS(N)(=O)=O SC-12816 [0,1,0,0,0,0|2,0,1]=4 201 B7R0.8 CCCNS(N)(=O)=O SC-90105 [0,1,0,0,0,0|2,0,1]=4 202 B7R0.8 CCNCC(C)(C)O SC-97759 [0,1,0,0,0,0|2,0,1]=4 203 B7R0.8 CNCCS(=O)(=O)O SC-99470 [0,1,0,0,0,0|2,0,0]=3 204 B7R0.8 CS(=O)(=O)CCCO SC-A4044 [0,1,0,0,0,0|2,0,1]=4 205 B7R0.8 CS(=O)(=O)CCC[NH3+] SC-26607 [0,1,0,0,0,0|2,0,1]=4 206 B7R0.8 NCCCS(=O)(=O)O SC-17979 [0,1,0,0,0,0|2,0,0]=3 207 B7R1.2 CC1=CC(=O)CC1 SC-18727 [0,0,0,1,0,0|1,0,1]=3 208 B7R1.2 CC1=CC(=O)OC1 SC-25541 [0,0,0,1,0,0|2,0,1]=4 209 B7R1.2 CC1CCC(=O)C1 SC-93748 [0,0,0,1,0,0|1,0,0]=2 210 B7R1.2 CC1CNC(=O)C1 SC-50248 [0,0,0,1,0,0|2,0,0]=3 211 B7R1.2 CC1COC(=O)C1 SC-60836 [0,0,0,1,0,0|2,0,0]=3 212 B7R1.2 CC1COC(=O)O1 SC-65189 [0,0,0,1,0,0|1,0,0]=2 213 B7R1.2 CN1CC[C@@H](O)C1 SC-49684 [0,0,0,1,0,0|2,0,1]=4 214 B7R1.2 CN1CC[C@H](O)C1 SC-23905 [0,0,0,1,0,0|2,0,1]=4 215 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [0,0,0,1,0,0|2,0,0]=3 216 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [0,0,0,1,0,0|1,0,0]=2 217 B7R1.2 NC1CCC(O)C1 SC-47773 [0,0,0,1,0,0|2,0,1]=4 218 B7R1.2 NC1CCC(O)C1 SC-47979 [0,0,0,1,0,0|2,0,1]=4 219 B7R1.2 NC1CCC(O)C1 SC-49660 [0,0,0,1,0,0|2,0,1]=4 220 B7R1.2 NC1CCC(O)C1 SC-51126 [0,0,0,1,0,0|2,0,1]=4 221 B7R1.2 NC1CCC(O)C1 SC-92977 [0,0,0,1,0,0|2,0,1]=4 222 B7R1.2 NC1CNC(=O)C1 SC-66063 [0,0,0,1,0,0|3,0,0]=4 223 B7R1.2 NC1COC(=O)C1 SC-34183 [0,0,0,1,0,0|3,0,0]=4 224 B7R1.2 N[C@@H]1CC[C@H](O)C1 SC-83316 [0,0,0,1,0,0|2,0,1]=4 225 B7R1.2 N[C@@H]1CNC(=O)C1 SC-A4379 [0,0,0,1,0,0|3,0,0]=4 226 B7R1.2 N[C@@H]1COC(=O)C1 SC-71558 [0,0,0,1,0,0|3,0,0]=4 227 B7R1.2 N[C@H]1CC[C@@H](O)C1 SC-42369 [0,0,0,1,0,0|2,0,1]=4 228 B7R1.2 N[C@H]1CC[C@@H](O)C1 SC-47775 [0,0,0,1,0,0|2,0,1]=4 229 B7R1.2 N[C@H]1CC[C@H](O)C1 SC-47774 [0,0,0,1,0,0|2,0,1]=4 230 B7R1.2 N[C@H]1CC[C@H](O)C1 SC-93243 [0,0,0,1,0,0|2,0,1]=4 231 B7R1.2 O=C1CC(O)CN1 SC-29049 [0,0,0,1,0,0|3,0,0]=4 232 B7R1.2 O=C1CCC(=O)C1 SC-15331 [0,0,0,1,0,0|2,0,1]=4 233 B7R1.2 O=C1CCC(=O)N1 SC-26697 [0,0,0,1,0,0|2,0,1]=4 234 B7R1.2 O=C1CNC(=O)O1 SC-21301 [0,0,0,1,0,0|2,0,1]=4 235 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [0,0,0,1,0,0|3,0,0]=4 236 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [0,0,0,1,0,0|3,0,0]=4 237 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [0,0,0,1,0,0|3,0,0]=4 238 B7R1.3 BrC1=CCCCC1 SC-69986 [0,0,0,1,0,0|2,0,0]=3 239 B7R1.3 C=C1CCNCC1 SC-88353 [0,0,0,1,0,0|3,0,0]=4 240 B7R1.3 CC1=CCCCC1 SC-99243 [0,0,0,1,0,0|2,0,0]=3 241 B7R1.3 CC1=CCCNC1 SC-82898 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.3 CC1=CCNCC1 SC-B8899 [0,0,0,1,0,0|3,0,0]=4 243 B7R1.3 CC1CCCCC1 SC-79075 [0,0,0,1,0,0|2,0,1]=4 244 B7R1.3 CC1CNCCO1 SC-49158 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.3 CC1CNCCO1 SC-82780 [0,0,0,1,0,0|2,0,1]=4 246 B7R1.3 CC1CNCCO1 SC-A3535 [0,0,0,1,0,0|2,0,1]=4 247 B7R1.3 C[C@@H]1CNCCO1 SC-43965 [0,0,0,1,0,0|2,0,1]=4 248 B7R1.3 C[C@@H]1CNCCO1 SC-88816 [0,0,0,1,0,0|2,0,1]=4 249 B7R1.3 C[C@H]1CNCCO1 SC-44479 [0,0,0,1,0,0|2,0,1]=4 250 B7R1.3 C[SiH]1CCCCO1 SC-91060 [0,0,0,1,0,0|1,1,0]=3 251 B7R1.3 ClC1CCCCO1 SC-85266 [0,0,0,1,0,0|1,0,1]=3 252 B7R1.3 FC1CCCCC1 SC-09547 [0,0,0,1,0,0|2,0,1]=4 253 B7R1.3 NN1CCCCC1 SC-18780 [0,0,0,1,0,0|3,0,0]=4 254 B7R1.3 O=C1C=CCCN1 SC-25185 [0,0,0,1,0,0|1,0,2]=4 255 B7R1.3 O=C1C=CCCO1 SC-50374 [0,0,0,1,0,0|0,0,2]=3 256 B7R1.3 O=C1CCCCN1 SC-16274 [0,0,0,1,0,0|1,0,0]=2 257 B7R1.3 O=C1CCCCO1 SC-65111 [0,0,0,1,0,0|0,0,0]=1 258 B7R1.3 O=C1CCCNC1 SC-29391 [0,0,0,1,0,0|2,0,0]=3 259 B7R1.3 O=C1CCCNC1 SC-48015 [0,0,0,1,0,0|2,0,0]=3 260 B7R1.3 O=C1CCCOC1 SC-14944 [0,0,0,1,0,0|2,0,0]=3 261 B7R1.3 O=C1CCNCC1 SC-04236 [0,0,0,1,0,0|2,0,0]=3 262 B7R1.3 O=C1CCNCC1 SC-04379 [0,0,0,1,0,0|2,0,0]=3 263 B7R1.3 O=C1CCNCC1 SC-19352 [0,0,0,1,0,0|2,0,0]=3 264 B7R1.3 O=C1CCOCC1 SC-03251 [0,0,0,1,0,0|2,0,0]=3 265 B7R1.3 O=C1CCSCC1 SC-19697 [0,0,0,1,0,0|2,0,0]=3 266 B7R1.3 O=C1CNCCN1 SC-05365 [0,0,0,1,0,0|2,0,0]=3 267 B7R1.3 O=C1CNCCO1 SC-84883 [0,0,0,1,0,0|1,0,0]=2 268 B7R1.3 O=C1COCCN1 SC-24222 [0,0,0,1,0,0|2,0,0]=3 269 B7R1.3 O=C1CSCCN1 SC-28581 [0,0,0,1,0,0|2,0,0]=3 270 B7R1.3 OC1=CN=NCC1 SC-89630 [0,0,0,1,0,0|3,0,0]=4 271 B7R1.3 OC1CCCCO1 SC-84303 [0,0,0,1,0,0|0,0,2]=3 272 B7R1.3 OC1CCCNC1 SC-06262 [0,0,0,1,0,0|2,0,1]=4 273 B7R1.3 OC1CCCNC1 SC-47771 [0,0,0,1,0,0|2,0,1]=4 274 B7R1.3 OC1CCCOC1 SC-19794 [0,0,0,1,0,0|2,0,1]=4 275 B7R1.3 OC1CCCOC1 SC-35801 [0,0,0,1,0,0|2,0,1]=4 276 B7R1.3 OC1CCNCC1 SC-05165 [0,0,0,1,0,0|2,0,1]=4 277 B7R1.3 OC1CCOCC1 SC-02372 [0,0,0,1,0,0|2,0,1]=4 278 B7R1.3 OC1CCSCC1 SC-35917 [0,0,0,1,0,0|2,0,1]=4 279 B7R1.3 ON1CCCCC1 SC-13334 [0,0,0,1,0,0|2,0,0]=3 280 B7R1.3 O[C@@H]1CCCNC1 SC-12564 [0,0,0,1,0,0|2,0,1]=4 281 B7R1.3 O[C@H]1CCCNC1 SC-19802 [0,0,0,1,0,0|2,0,1]=4 282 B7R1.10 COC1CC(O)C1 SC-A4338 [0,0,0,1,0,0|2,0,1]=4 283 B7R1.10 O=C1CC(CO)C1 SC-86648 [0,0,0,1,0,0|2,0,0]=3 284 B7R1.12 O=C(O)C1CC1F SC-85228 [0,0,0,1,0,0|1,0,0]=2 285 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [0,0,0,1,0,0|1,0,0]=2 286 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [0,0,0,1,0,0|1,0,0]=2 287 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [0,0,0,1,0,0|1,0,0]=2 288 B7R1.14 CC1(O)CCNC1 SC-65706 [0,0,0,1,0,0|2,0,1]=4 289 B7R1.14 C[C@]1(O)CCNC1 SC-91785 [0,0,0,1,0,0|2,0,1]=4 290 B7R1.14 ClC1(Cl)CCCC1 SC-51368 [0,0,0,1,0,0|2,0,1]=4 291 B7R1.14 O=S1(=O)CCCC1 SC-46369 [0,0,0,1,0,0|1,0,1]=3 292 B7R1.14 O=S1(=O)CCCN1 SC-82164 [0,0,0,1,0,0|2,0,1]=4 293 B7R1.14 O=S1(=O)CCCO1 SC-17901 [0,0,0,1,0,0|2,0,1]=4 294 B7R1.18 CC(=O)C1CCC1 SC-74316 [0,0,0,1,0,0|1,0,0]=2 295 B7R1.18 CC(O)C1CCC1 SC-22088 [0,0,0,1,0,0|1,0,1]=3 296 B7R1.18 NC(=O)[C@H]1CCN1 SC-42709 [0,0,0,1,0,0|2,0,0]=3 297 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [0,0,0,1,0,0|1,0,0]=2 298 B7R1.18 O=C(O)C1CCC1 SC-17776 [0,0,0,1,0,0|0,0,0]=1 299 B7R1.18 O=C(O)C1CCO1 SC-22549 [0,0,0,1,0,0|1,0,0]=2 300 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [0,0,0,1,0,0|1,0,0]=2 301 B7R1.18 OB(O)C1CCC1 SC-21363 [0,0,0,1,0,0|1,0,1]=3 302 B7R1.20 CC(=O)CC1CC1 SC-21396 [0,0,0,1,0,0|1,0,0]=2 303 B7R1.20 NC(=O)NC1CC1 SC-84633 [0,0,0,1,0,0|2,0,0]=3 304 B7R1.20 O=C(O)CC1CC1 SC-13938 [0,0,0,1,0,0|0,0,0]=1 305 B4R0.1 C#CC(=O)O SC-46968 [2,0,0,0,0,0|0,0,2]=4 306 B4R0.1 CC(=O)CBr SC-20936 [2,0,0,0,0,0|2,0,0]=4 307 B4R0.1 CC(=O)CN SC-28532 [2,0,0,0,0,0|2,0,0]=4 308 B4R0.1 CC(=O)CN SC-89750 [2,0,0,0,0,0|2,0,0]=4 309 B4R0.1 CCB(O)O SC-04516 [2,0,0,0,0,0|1,0,1]=4 310 B4R0.1 CCC(=N)N SC-53846 [2,0,0,0,0,0|2,0,0]=4 311 B4R0.1 CCC(=O)O SC-22887 [2,0,0,0,0,0|0,0,0]=2 312 B4R0.1 CCC(=O)[O-] SC-47286 [2,0,0,0,0,0|0,0,1]=3 313 B4R0.1 CCC(C)O SC-01234 [2,0,0,0,0,0|1,0,1]=4 314 B4R0.1 CCC(N)=O SC-18213 [2,0,0,0,0,0|1,0,0]=3 315 B4R0.1 CCS(=O)[O-] SC-20356 [2,0,0,0,0,0|1,0,1]=4 316 B4R0.1 CC[C@H](C)O SC-04418 [2,0,0,0,0,0|1,0,1]=4 317 B4R0.1 CNC(N)=O SC-15862 [2,0,0,0,0,0|2,0,0]=4 318 B4R0.1 NC(=O)CBr SC-17752 [2,0,0,0,0,0|2,0,0]=4 319 B4R0.1 NC(=O)CI SC-18913 [2,0,0,0,0,0|2,0,0]=4 320 B4R0.1 NCC(=O)O SC-26884 [2,0,0,0,0,0|1,0,0]=3 321 B4R0.1 NCC(N)=O SC-09567 [2,0,0,0,0,0|2,0,0]=4 322 B4R0.1 NCC(N)=O SC-18427 [2,0,0,0,0,0|2,0,0]=4 323 B4R0.1 O=C(Br)CBr SC-18428 [2,0,0,0,0,0|2,0,0]=4 324 B4R0.1 O=C(Cl)CBr SC-49267 [2,0,0,0,0,0|2,0,0]=4 325 B4R0.1 O=C(O)CBr SC-18211 [2,0,0,0,0,0|1,0,0]=3 326 B4R0.1 O=C(O)CO SC-23119 [2,0,0,0,0,0|1,0,0]=3 327 B4R0.1 O=C(O)CO SC-26092 [2,0,0,0,0,0|1,0,0]=3 328 B4R0.1 O=C([O-])CI SC-80290 [2,0,0,0,0,0|1,0,1]=4 329 B4R0.1 O=CC(=O)O SC-25819 [2,0,0,0,0,0|1,0,1]=4 330 B4R0.2 BrCCCBr SC-79111 [2,0,0,0,0,0|2,0,0]=4 331 B4R0.2 C#CCCO SC-17773 [2,0,0,0,0,0|0,0,2]=4 332 B4R0.2 C=CCCCl SC-90795 [2,0,0,0,0,0|1,0,1]=4 333 B4R0.2 C=CCCN SC-48242 [2,0,0,0,0,0|1,0,1]=4 334 B4R0.2 C=CCCN SC-52106 [2,0,0,0,0,0|1,0,1]=4 335 B4R0.2 C=CCCO SC-45284 [2,0,0,0,0,0|0,0,2]=4 336 B4R0.2 C=CCNC SC-05902 [2,0,0,0,0,0|1,0,1]=4 337 B4R0.2 C=CCSC SC-47211 [2,0,0,0,0,0|1,0,1]=4 338 B4R0.2 CC#CCO SC-17951 [2,0,0,0,0,0|0,0,2]=4 339 B4R0.2 CCCNC SC-27548 [2,0,0,0,0,0|1,0,1]=4 340 B4R0.2 CCN=C=O SC-11793 [2,0,0,0,0,0|1,0,1]=4 341 B4R0.2 CCOCC SC-73354 [2,0,0,0,0,0|1,0,1]=4 342 B4R0.2 CNCCBr SC-98001 [2,0,0,0,0,0|2,0,0]=4 343 B4R0.2 COCC=O SC-48883 [2,0,0,0,0,0|1,0,0]=3 344 B4R0.2 COCCCl SC-05903 [2,0,0,0,0,0|2,0,0]=4 345 B4R0.2 COCCN SC-22236 [2,0,0,0,0,0|2,0,0]=4 346 B4R0.2 CSCCCl SC-53991 [2,0,0,0,0,0|2,0,0]=4 347 B4R0.2 CSCCN SC-28443 [2,0,0,0,0,0|2,0,0]=4 348 B4R0.2 CSCCN SC-83550 [2,0,0,0,0,0|2,0,0]=4 349 B4R0.2 CSCCO SC-19276 [2,0,0,0,0,0|1,0,0]=3 350 B4R0.2 C\C=C/CO SC-69832 [2,0,0,0,0,0|0,0,2]=4 351 B4R0.2 C\C=C\CO SC-25521 [2,0,0,0,0,0|0,0,2]=4 352 B4R0.2 C\C=C\CO SC-69597 [2,0,0,0,0,0|0,0,2]=4 353 B4R0.2 ClCCCI SC-73683 [2,0,0,0,0,0|2,0,0]=4 354 B4R0.2 FCCCBr SC-49851 [2,0,0,0,0,0|2,0,0]=4 355 B4R0.2 FCCCI SC-84350 [2,0,0,0,0,0|2,0,0]=4 356 B4R0.2 ICCCI SC-89448 [2,0,0,0,0,0|2,0,0]=4 357 B4R0.2 NCCCBr SC-39593 [2,0,0,0,0,0|2,0,0]=4 358 B4R0.2 NCCCBr SC-48386 [2,0,0,0,0,0|2,0,0]=4 359 B4R0.2 NCCCCl SC-15218 [2,0,0,0,0,0|2,0,0]=4 360 B4R0.2 NCCCO SC-16407 [2,0,0,0,0,0|1,0,0]=3 361 B4R0.2 NCCCS SC-52748 [2,0,0,0,0,0|1,1,0]=4 362 B4R0.2 NNCCO SC-15469 [2,0,0,0,0,0|2,0,0]=4 363 B4R0.2 NOCCO SC-41192 [2,0,0,0,0,0|2,0,0]=4 364 B4R0.2 O=CCCCl SC-71322 [2,0,0,0,0,0|1,0,0]=3 365 B4R0.2 O=CCCO SC-52939 [2,0,0,0,0,0|1,0,0]=3 366 B4R0.2 OCCCBr SC-13514 [2,0,0,0,0,0|1,0,0]=3 367 B4R0.2 OCCCCl SC-15525 [2,0,0,0,0,0|1,0,0]=3 368 B4R0.2 OCCCF SC-24862 [2,0,0,0,0,0|1,0,0]=3 369 B4R0.2 OCCCI SC-65803 [2,0,0,0,0,0|1,0,0]=3 370 B4R0.2 OCCCO SC-25736 [2,0,0,0,0,0|1,0,0]=3 371 B4R0.2 SCCCS SC-17571 [2,0,0,0,0,0|1,1,0]=4 372 B6R0.1 C#CC(=O)OCC SC-05846 [1,1,0,0,0,0|2,0,0]=4 373 B6R0.1 C#CCC(=O)OC SC-13148 [1,1,0,0,0,0|0,0,2]=4 374 B6R0.1 C=CCC(=O)OC SC-48829 [1,1,0,0,0,0|0,0,2]=4 375 B6R0.1 CC#CC(=O)OC SC-48510 [1,1,0,0,0,0|0,0,2]=4 376 B6R0.1 CCOC(=O)C#N SC-20120 [1,1,0,0,0,0|2,0,0]=4 377 B6R0.1 CCOC(=O)CBr SC-17870 [1,1,0,0,0,0|2,0,0]=4 378 B6R0.1 CCOC(=O)CCl SC-79310 [1,1,0,0,0,0|2,0,0]=4 379 B6R0.1 CCOC(=O)CN SC-09569 [1,1,0,0,0,0|2,0,0]=4 380 B6R0.1 CCOC(=O)CN SC-48652 [1,1,0,0,0,0|2,0,0]=4 381 B6R0.1 CCOC(=O)CO SC-50412 [1,1,0,0,0,0|1,0,0]=3 382 B6R0.1 CCOC(=O)CS SC-18381 [1,1,0,0,0,0|1,1,0]=4 383 B6R0.1 CCOC(=O)NN SC-50147 [1,1,0,0,0,0|2,0,0]=4 384 B6R0.1 CNCC(=O)OC SC-10432 [1,1,0,0,0,0|1,0,0]=3 385 B6R0.1 COC(=O)CC=O SC-53143 [1,1,0,0,0,0|1,0,1]=4 386 B6R0.1 COC(=O)CCBr SC-18677 [1,1,0,0,0,0|1,0,0]=3 387 B6R0.1 COC(=O)CCN SC-21486 [1,1,0,0,0,0|1,0,0]=3 388 B6R0.1 COC(=O)CCO SC-21690 [1,1,0,0,0,0|1,0,0]=3 389 B6R0.1 COC(=O)CSC SC-20536 [1,1,0,0,0,0|1,0,0]=3 390 B6R0.1 COC(=O)OCCl SC-53303 [1,1,0,0,0,0|2,0,0]=4 391 B6R0.1 COCC(=O)NN SC-54001 [1,1,0,0,0,0|2,0,0]=4 392 B6R0.1 COCC(=O)OC SC-62202 [1,1,0,0,0,0|1,0,0]=3 393 B6R0.1 C\C=C\C(=O)OC SC-22589 [1,1,0,0,0,0|0,0,2]=4 394 B6R0.1 [C-]#[N+]CC(=O)OC SC-19522 [1,1,0,0,0,0|1,0,1]=4 395 B6R0.2 CC(=O)CC(C)=O SC-77723 [1,1,0,0,0,0|1,0,1]=4 396 B6R0.2 CC(=O)NC(C)C SC-A3057 [1,1,0,0,0,0|2,0,0]=4 397 B6R0.2 CC(=O)OC(C)C SC-25616 [1,1,0,0,0,0|2,0,0]=4 398 B6R0.2 CC(C)=CC(=O)O SC-16257 [1,1,0,0,0,0|0,0,2]=4 399 B6R0.2 CC(C)CB(O)O SC-06923 [1,1,0,0,0,0|1,0,1]=4 400 B6R0.2 CC(Cl)OC(=O)Cl SC-13624 [1,1,0,0,0,0|2,0,0]=4 401 B6R0.2 CN(C)CC(N)=O SC-89197 [1,1,0,0,0,0|2,0,0]=4 402 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [1,1,0,0,0,0|0,0,0]=2 403 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [1,1,0,0,0,0|0,0,0]=2 404 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [1,1,0,0,0,0|0,0,0]=2 405 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [1,1,0,0,0,0|0,0,0]=2 406 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [1,1,0,0,0,0|1,0,1]=4 407 B6R0.3 C=CC(C)C(=O)O SC-65769 [1,1,0,0,0,0|0,0,2]=4 408 B6R0.3 C=C[C@H](N)C(=O)O SC-99216 [1,1,0,0,0,0|0,0,2]=4 409 B6R0.3 CC(C#N)C(=O)O SC-65741 [1,1,0,0,0,0|1,0,1]=4 410 B6R0.3 CC(CBr)C(=O)O SC-53016 [1,1,0,0,0,0|1,0,0]=3 411 B6R0.3 CC(CN)C(=O)O SC-10095 [1,1,0,0,0,0|1,0,0]=3 412 B6R0.3 CC(CN)C(=O)O SC-16443 [1,1,0,0,0,0|1,0,0]=3 413 B6R0.3 CCC(F)C(=O)O SC-82839 [1,1,0,0,0,0|0,0,0]=2 414 B6R0.3 CCC(N)C(=O)O SC-25570 [1,1,0,0,0,0|0,0,0]=2 415 B6R0.3 CCC(N)C(N)=O SC-67619 [1,1,0,0,0,0|1,0,0]=3 416 B6R0.3 CCC(S)C(=O)O SC-90417 [1,1,0,0,0,0|0,0,0]=2 417 B6R0.3 CCN(O)C(C)=O SC-69302 [1,1,0,0,0,0|2,0,0]=4 418 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [1,1,0,0,0,0|0,0,0]=2 419 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [1,1,0,0,0,0|0,0,0]=2 420 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [1,1,0,0,0,0|0,0,0]=2 421 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [1,1,0,0,0,0|0,0,0]=2 422 B6R0.3 CC[C@H](N)C(N)=O SC-15825 [1,1,0,0,0,0|1,0,0]=3 423 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [1,1,0,0,0,0|1,0,0]=3 424 B6R0.3 COC(C)C(=O)O SC-49776 [1,1,0,0,0,0|1,0,0]=3 425 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [1,1,0,0,0,0|1,0,0]=3 426 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [1,1,0,0,0,0|1,0,0]=3 427 B6R0.3 C[C@@H](CN)C(=O)O SC-69436 [1,1,0,0,0,0|1,0,0]=3 428 B6R0.3 C[C@H](CN)C(=O)O SC-90232 [1,1,0,0,0,0|1,0,0]=3 429 B6R0.3 C[C@H](CN)C(=O)O SC-A1203 [1,1,0,0,0,0|1,0,0]=3 430 B6R0.3 NC(=O)[C@@H](N)CO SC-09855 [1,1,0,0,0,0|2,0,0]=4 431 B6R0.3 NC(CO)C(=O)O SC-09828 [1,1,0,0,0,0|1,0,0]=3 432 B6R0.3 NC(CS)C(=O)O SC-16429 [1,1,0,0,0,0|1,0,0]=3 433 B6R0.3 NCC(N)C(=O)O SC-12518 [1,1,0,0,0,0|1,0,0]=3 434 B6R0.3 NCC(N)C(=O)O SC-26817 [1,1,0,0,0,0|1,0,0]=3 435 B6R0.3 NCC(O)C(=O)O SC-10335 [1,1,0,0,0,0|1,0,0]=3 436 B6R0.3 NC[C@@H](N)C(=O)O SC-10203 [1,1,0,0,0,0|1,0,0]=3 437 B6R0.3 N[C@@H](CO)C(=O)O SC-09827 [1,1,0,0,0,0|1,0,0]=3 438 B6R0.3 N[C@@H](CS)C(=O)O SC-45550 [1,1,0,0,0,0|1,0,0]=3 439 B6R0.3 N[C@H](CO)C(=O)O SC-09826 [1,1,0,0,0,0|1,0,0]=3 440 B6R0.3 O=C(Cl)C(Br)CBr SC-76209 [1,1,0,0,0,0|2,0,0]=4 441 B6R0.3 O=C(O)C(=O)CBr SC-15238 [1,1,0,0,0,0|1,0,1]=4 442 B6R0.3 O=C(O)C(Br)CBr SC-26969 [1,1,0,0,0,0|1,0,0]=3 443 B6R0.3 O=C(O)C(O)CCl SC-83865 [1,1,0,0,0,0|1,0,0]=3 444 B6R0.3 [C@@H](N)(CC)C(N)=O SC-49088 [1,1,0,0,0,0|1,0,0]=3 445 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09427 [1,1,0,0,0,0|1,0,0]=3 446 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09430 [1,1,0,0,0,0|1,0,0]=3 447 B6R0.3 [C@H](N)(CS)C(=O)O SC-09426 [1,1,0,0,0,0|1,0,0]=3 448 B6R0.5 CCCP(=O)(O)O SC-A3323 [1,1,0,0,0,0|1,0,0]=3 449 B6R0.5 CCCS(=O)(=O)O SC-80781 [1,1,0,0,0,0|1,0,0]=3 450 B6R0.5 CCCS(N)(=O)=O SC-95067 [1,1,0,0,0,0|1,0,1]=4 451 B6R0.5 CCOP(=O)(O)O SC-A3396 [1,1,0,0,0,0|2,0,0]=4 452 B6R0.5 NCCP(=O)(O)O SC-98222 [1,1,0,0,0,0|2,0,0]=4 453 B6R0.5 O=P(O)(O)CCCl SC-79944 [1,1,0,0,0,0|2,0,0]=4 454 B6R0.5 O=S(=O)(O)CCBr SC-96124 [1,1,0,0,0,0|2,0,0]=4 455 B6R0.5 O=S(=O)(O)CCO SC-15822 [1,1,0,0,0,0|2,0,0]=4 456 B6R0.6 BrCCCCCBr SC-00350 [1,1,0,0,0,0|1,0,1]=4 457 B6R0.6 C#CCCCCN SC-A3767 [1,1,0,0,0,0|1,0,1]=4 458 B6R0.6 C#CCCCCO SC-87514 [1,1,0,0,0,0|0,0,2]=4 459 B6R0.6 C=CCCCCBr SC-27023 [1,1,0,0,0,0|1,0,0]=3 460 B6R0.6 CCCCCNC SC-25672 [1,1,0,0,0,0|1,0,1]=4 461 B6R0.6 CCCCON=O SC-70750 [1,1,0,0,0,0|1,0,0]=3 462 B6R0.6 CCC\C=C\C=O SC-25240 [1,1,0,0,0,0|0,0,1]=3 463 B6R0.6 CCOCCCO SC-00354 [1,1,0,0,0,0|0,0,1]=3 464 B6R0.6 CNCCCCO SC-13108 [1,1,0,0,0,0|0,0,1]=3 465 B6R0.6 CNCCCNC SC-47576 [1,1,0,0,0,0|2,0,0]=4 466 B6R0.6 CNCCCOC SC-51293 [1,1,0,0,0,0|1,0,1]=4 467 B6R0.6 COCCCCCl SC-01876 [1,1,0,0,0,0|1,0,1]=4 468 B6R0.6 COCCCOC SC-47077 [1,1,0,0,0,0|1,0,1]=4 469 B6R0.6 COCCN=C=O SC-72245 [1,1,0,0,0,0|1,0,1]=4 470 B6R0.6 C\C=C\CCCO SC-48265 [1,1,0,0,0,0|0,0,2]=4 471 B6R0.6 FCCCCCBr SC-45318 [1,1,0,0,0,0|1,0,1]=4 472 B6R0.6 ICCCCCI SC-82357 [1,1,0,0,0,0|1,0,1]=4 473 B6R0.6 N#CCCCCCl SC-16304 [1,1,0,0,0,0|1,0,1]=4 474 B6R0.6 NCCCCCN SC-35536 [1,1,0,0,0,0|1,0,1]=4 475 B6R0.6 NCCCCCO SC-20467 [1,1,0,0,0,0|0,0,1]=3 476 B6R0.6 NCCNCCO SC-66587 [1,1,0,0,0,0|1,0,1]=4 477 B6R0.6 NCCOCCO SC-49862 [1,1,0,0,0,0|1,0,1]=4 478 B6R0.6 O=CCCCCCl SC-A3300 [1,1,0,0,0,0|0,0,0]=2 479 B6R0.6 OCCCCCBr SC-43699 [1,1,0,0,0,0|0,0,1]=3 480 B6R0.6 OCCCCCO SC-69222 [1,1,0,0,0,0|0,0,1]=3 481 B6R0.6 OCCOCCO SC-79348 [1,1,0,0,0,0|1,0,1]=4 482 B8R0.2 CCC(C)C(N)C(=O)O SC-09610 [0,2,0,0,0,0|0,0,0]=2 483 B8R0.2 CCC(C)C(N)C(N)=O SC-24873 [0,2,0,0,0,0|1,0,0]=3 484 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO SC-15195 [0,2,0,0,0,0|1,0,1]=4 485 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC SC-22105 [0,2,0,0,0,0|1,0,0]=3 486 B8R0.5 CCOC(=O)CC(=O)O SC-17786 [0,2,0,0,0,0|0,0,1]=3 487 B8R0.5 CCOC(=O)CC(=O)[O-] SC-26967 [0,2,0,0,0,0|0,0,2]=4 488 B8R0.16 COC(CC(C)=O)OC SC-15190 [0,2,0,0,0,0|2,0,0]=4 489 B8R0.19 CCC(=O)CC(=O)OC SC-13642 [0,2,0,0,0,0|0,0,1]=3 490 B8R0.19 COC(=O)CC(=O)CCl SC-22714 [0,2,0,0,0,0|1,0,1]=4 491 B8R0.19 COC(=O)CC(=O)OC SC-25683 [0,2,0,0,0,0|1,0,1]=4 492 B8R0.19 COC(=O)C[C@@H](O)CCl SC-08919 [0,2,0,0,0,0|1,0,0]=3 493 B8R0.23 C=C(Br)C[C@H](N)C(=O)O SC-A2609 [0,2,0,0,0,0|0,0,2]=4 494 B8R0.23 C=C(CC(C)C)C(C)=O SC-A2921 [0,2,0,0,0,0|1,0,1]=4 495 B8R0.23 CC(=O)C(C)CC(=O)O SC-21504 [0,2,0,0,0,0|0,0,1]=3 496 B8R0.23 CC(=O)CC(O)[C@H](C)N SC-76554 [0,2,0,0,0,0|1,0,0]=3 497 B8R0.23 CC(C)CC(Br)C(=O)O SC-A4035 [0,2,0,0,0,0|0,0,0]=2 498 B8R0.23 CC(C)CC(N)C(=O)O SC-09638 [0,2,0,0,0,0|0,0,0]=2 499 B8R0.23 CC(C)CC(N)C(=O)O SC-09639 [0,2,0,0,0,0|0,0,0]=2 500 B8R0.23 CC(C)C[C@@H](N)C(=O)O SC-09637 [0,2,0,0,0,0|0,0,0]=2 501 B8R0.23 CC(C)C[C@@H](O)C(=O)O SC-13459 [0,2,0,0,0,0|0,0,0]=2 502 B8R0.23 CC(C)C[C@H](N)C(N)=O SC-09656 [0,2,0,0,0,0|1,0,0]=3 503 B8R0.23 CC(CC(=O)O)C(=O)O SC-51763 [0,2,0,0,0,0|1,0,1]=4 504 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SC-08886 [0,2,0,0,0,0|1,0,1]=4 505 B8R0.23 C[C@H](CC(=O)O)C(=O)O SC-08885 [0,2,0,0,0,0|1,0,1]=4 506 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SC-09347 [0,2,0,0,0,0|1,0,1]=4 507 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09348 [0,2,0,0,0,0|1,0,1]=4 508 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09349 [0,2,0,0,0,0|1,0,1]=4 509 B8R0.23 N[C@H](CC(=O)O)C(=O)O SC-01867 [0,2,0,0,0,0|1,0,1]=4 510 B8R0.23 O=C(O)C[C@@H](O)C(=O)O SC-05990 [0,2,0,0,0,0|1,0,1]=4 511 B8R0.24 CCC(C)CS(N)(=O)=O SC-91047 [0,2,0,0,0,0|1,0,1]=4 512 B8R0.1 CCC#CC(=O)OCC SC-70982 [0,2,0,0,0,0|0,0,2]=4 513 B8R0.1 CCOC(=O)CCCN SC-87395 [0,2,0,0,0,0|1,0,0]=3 514 B8R0.1 CCOC(=O)CCCO SC-99324 [0,2,0,0,0,0|1,0,0]=3 515 B8R0.3 C=CCC(N)C(=O)OC SC-A2429 [0,2,0,0,0,0|0,0,2]=4 516 B8R0.3 CCCC(N)C(=O)OC SC-10383 [0,2,0,0,0,0|0,0,0]=2 517 B8R0.3 COC(=O)C(Br)CCBr SC-22210 [0,2,0,0,0,0|1,0,0]=3 518 B8R0.6 C#CCCCC(=O)OC SC-82496 [0,2,0,0,0,0|0,0,1]=3 519 B8R0.6 CCCSCC(=O)OC SC-44744 [0,2,0,0,0,0|0,0,0]=2 520 B8R0.6 COC(=O)CCCCBr SC-66180 [0,2,0,0,0,0|0,0,0]=2 521 B8R0.8 CCCCC(=O)C(=O)[O-] SC-94857 [0,2,0,0,0,0|0,0,1]=3 522 B8R0.8 CCCCC(N)C(=O)O SC-10365 [0,2,0,0,0,0|0,0,0]=2 523 B8R0.8 CCCC[C@@H](N)C(=O)O SC-10363 [0,2,0,0,0,0|0,0,0]=2 524 B8R0.8 CSCCC(N)C(N)=O SC-15811 [0,2,0,0,0,0|1,0,0]=3 525 B8R0.8 CSCC[C@@H](N)C(=O)O SC-09743 [0,2,0,0,0,0|0,0,0]=2 526 B8R0.8 C[Se]CC[C@H](N)C(=O)O SC-19961 [0,2,0,0,0,0|0,0,0]=2 527 B8R0.8 NCCCC(N)C(=O)O SC-10385 [0,2,0,0,0,0|0,0,0]=2 528 B8R0.8 NCCCC(N)C(=O)O SC-48991 [0,2,0,0,0,0|0,0,0]=2 529 B8R0.8 NCCC[C@H](N)C(=O)O SC-18299 [0,2,0,0,0,0|0,0,0]=2 530 B8R0.9 C=CC(N)CCC(=O)O SC-82297 [0,2,0,0,0,0|0,0,1]=3 531 B8R0.9 CCC(=O)CCC(=O)O SC-58454 [0,2,0,0,0,0|0,0,0]=2 532 B8R0.9 COC(=O)CCC(=O)Cl SC-13608 [0,2,0,0,0,0|1,0,1]=4 533 B8R0.9 COC(=O)CCC(C)=O SC-74448 [0,2,0,0,0,0|0,0,1]=3 534 B8R0.9 COC(=O)CCS(=O)[O-] SC-49113 [0,2,0,0,0,0|2,0,0]=4 535 B8R0.9 COC(=O)NCC(=O)O SC-01599 [0,2,0,0,0,0|1,0,1]=4 536 B8R0.9 NCC(=O)CCC(=O)O SC-15622 [0,2,0,0,0,0|0,0,1]=3 537 B8R0.9 NCC(=O)CCC(=O)O SC-18502 [0,2,0,0,0,0|0,0,1]=3 538 B8R0.7 C#CCCCCC(=O)O SC-20440 [0,2,0,0,0,0|0,0,0]=2 539 B8R0.7 C#CCOCCC(=O)O SC-A2263 [0,2,0,0,0,0|0,0,1]=3 540 B8R0.7 CCCCCCB(O)O SC-97201 [0,2,0,0,0,0|1,0,1]=4 541 B8R0.7 CCCCCCC(C)O SC-47133 [0,2,0,0,0,0|1,0,1]=4 542 B8R0.7 CCCCOCC(=O)O SC-22619 [0,2,0,0,0,0|0,0,0]=2 543 B8R0.7 CCCCSCC(=N)N SC-38959 [0,2,0,0,0,0|2,0,0]=4 544 B8R0.7 COCCOCC(=O)O SC-89730 [0,2,0,0,0,0|0,0,0]=2 545 B8R0.7 N=C(N)NCCCCN SC-43917 [0,2,0,0,0,0|2,0,0]=4 546 B8R0.7 N=C(N)NCCCCN SC-48324 [0,2,0,0,0,0|2,0,0]=4 547 B8R0.7 NCCCCCC(=O)O SC-10067 [0,2,0,0,0,0|0,0,0]=2 548 B8R0.7 O=C(O)CCCCCBr SC-04420 [0,2,0,0,0,0|0,0,0]=2 549 B8R0.7 O=C(O)CCCCCO SC-17400 [0,2,0,0,0,0|0,0,0]=2 550 B8R0.7 O=C(O)CCOCCBr SC-A2260 [0,2,0,0,0,0|0,0,0]=2 551 B8R0.7 O=C([O-])CCCCCO SC-82416 [0,2,0,0,0,0|0,0,1]=3 552 B8R0.7 O=[N+]([O-])OCCCCO SC-13995 [0,2,0,0,0,0|1,0,1]=4 553 B8R0.21 CCCCCS(=O)(=O)O SC-90285 [0,2,0,0,0,0|1,0,0]=3 554 B8R0.21 CCCCCS(=O)(=O)[O-] SC-15136 [0,2,0,0,0,0|1,0,1]=4 555 B8R0.21 O=S(=O)(Cl)CCCCCl SC-87338 [0,2,0,0,0,0|1,0,1]=4 556 B8R0.21 O=S(=O)(O)CCCCO SC-53329 [0,2,0,0,0,0|1,0,0]=3 557 B8R0.21 O=S(=O)([O-])CCCCO SC-A2357 [0,2,0,0,0,0|1,0,1]=4 558 B8R0.21 O=S(=O)([O-])CCCCO SC-A3477 [0,2,0,0,0,0|1,0,1]=4 559 B8R0.28 CC(C)C\C=C\C(=O)O SC-96534 [0,2,0,0,0,0|0,0,1]=3 560 B8R0.28 CN(C)C\C=C\C(=O)O SC-20214 [0,2,0,0,0,0|0,0,2]=4 561 B8R0.28 CN(C)C\C=C\C(=O)O SC-82699 [0,2,0,0,0,0|0,0,2]=4 562 B8R0.28 O=C(O)CNCC(=O)O SC-79871 [0,2,0,0,0,0|1,0,1]=4 563 B8R0.28 O=C(O)COCC(=O)O SC-93218 [0,2,0,0,0,0|1,0,1]=4 564 B8R0.12 C=CCC(C)(C)C(=O)O SC-51697 [0,2,0,0,0,0|0,0,2]=4 565 B8R0.12 C=CCC(F)(F)C(=O)O SC-30871 [0,2,0,0,0,0|0,0,2]=4 566 B8R0.15 CCCC(CC)C(=O)O SC-82317 [0,2,0,0,0,0|0,0,0]=2 567 B8R0.29 CC(C)(C)CCB(O)O SC-92963 [0,2,0,0,0,0|1,0,1]=4 568 B8R0.29 CC(C)(C)NCC(=O)O SC-82899 [0,2,0,0,0,0|1,0,0]=3 569 B8R0.29 CC(C)(C)OCC(=O)O SC-46034 [0,2,0,0,0,0|1,0,0]=3 570 B8R0.29 O=C(O)CCC(F)(F)F SC-44467 [0,2,0,0,0,0|1,0,0]=3 571 B6R1.2 CC1=CCCC1 SC-46849 [1,0,0,1,0,0|2,0,0]=4 572 B6R1.2 CC1=CCCO1 SC-69814 [1,0,0,1,0,0|1,0,1]=4 573 B6R1.2 CC1=NCCC1 SC-07079 [1,0,0,1,0,0|2,0,0]=4 574 B6R1.2 NC1=NCCC1 SC-68430 [1,0,0,1,0,0|2,0,0]=4 575 B6R1.2 NC1=NCCO1 SC-89542 [1,0,0,1,0,0|2,0,0]=4 576 B6R1.2 O=C1C=CCC1 SC-07348 [1,0,0,1,0,0|1,0,1]=4 577 B6R1.2 O=C1C=CCO1 SC-50260 [1,0,0,1,0,0|0,0,2]=4 578 B6R1.2 O=C1CCCN1 SC-85210 [1,0,0,1,0,0|1,0,0]=3 579 B6R1.2 O=C1CCNC1 SC-24328 [1,0,0,1,0,0|2,0,0]=4 580 B6R1.2 O=C1CCNC1 SC-50749 [1,0,0,1,0,0|2,0,0]=4 581 B6R1.2 O=C1CCNN1 SC-21405 [1,0,0,1,0,0|2,0,0]=4 582 B6R1.2 O=C1CCOC1 SC-21867 [1,0,0,1,0,0|2,0,0]=4 583 B6R1.2 O=C1NCCO1 SC-04833 [1,0,0,1,0,0|1,0,0]=3 584 B6R1.2 O=C1NCCS1 SC-27050 [1,0,0,1,0,0|1,1,0]=4 585 B6R1.2 O=S1OCCO1 SC-15793 [1,0,0,1,0,0|2,0,0]=4 586 B6R1.2 OC1=NNCC1 SC-23225 [1,0,0,1,0,0|2,0,0]=4 587 B6R1.2 OC1CCCN1 SC-21341 [1,0,0,1,0,0|1,0,1]=4 588 B6R1.5 NC1CC(=O)C1 SC-50311 [1,0,0,1,0,0|2,0,0]=4 589 B6R1.5 NC1CC(=O)C1 SC-67476 [1,0,0,1,0,0|2,0,0]=4 590 B6R1.10 O=S1(=O)CCC1 SC-28013 [1,0,0,1,0,0|1,0,1]=4 591 B6R1.11 CC(=O)C1CC1 SC-17503 [1,0,0,1,0,0|1,0,0]=3 592 B6R1.11 CC(O)C1CC1 SC-19615 [1,0,0,1,0,0|1,0,1]=4 593 B6R1.11 N=C(N)C1CC1 SC-05436 [1,0,0,1,0,0|2,0,0]=4 594 B6R1.11 N=C(N)C1CC1 SC-12465 [1,0,0,1,0,0|2,0,0]=4 595 B6R1.11 NC(=O)C1CC1 SC-92415 [1,0,0,1,0,0|1,0,0]=3 596 B6R1.11 O=C(Cl)C1CC1 SC-19263 [1,0,0,1,0,0|1,0,0]=3 597 B6R1.11 O=C(O)C1CC1 SC-22620 [1,0,0,1,0,0|0,0,0]=2 598 B6R1.11 O=C(O)C1CO1 SC-83949 [1,0,0,1,0,0|1,0,0]=3 599 B6R1.11 OB(O)C1CC1 SC-04359 [1,0,0,1,0,0|1,0,1]=4 600 B6R1.1 C1=CCNCC1 SC-83515 [1,0,0,1,0,0|2,0,0]=4 601 B6R1.1 C1=COCCC1 SC-00342 [1,0,0,1,0,0|0,0,1]=3 602 B6R1.1 C1CCNCC1 SC-05687 [1,0,0,1,0,0|1,0,1]=4 603 B6R1.1 C1CCNNC1 SC-84334 [1,0,0,1,0,0|2,0,0]=4 604 B6R1.1 C1CCONC1 SC-82296 [1,0,0,1,0,0|1,0,0]=3 605 B6R1.1 C1CC[NH2+]CC1 SC-48018 [1,0,0,1,0,0|1,0,1]=4 606 B6R1.1 C1COCCN1 SC-19184 [1,0,0,1,0,0|1,0,1]=4 607 B6R1.6 BrCC1CCC1 SC-17177 [1,0,0,1,0,0|1,0,1]=4 608 B6R1.6 CNC1CCC1 SC-48003 [1,0,0,1,0,0|2,0,0]=4 609 B6R1.6 ICC1CCC1 SC-B3939 [1,0,0,1,0,0|1,0,1]=4 610 B6R1.6 N#CC1CCC1 SC-43622 [1,0,0,1,0,0|1,0,1]=4 611 B6R1.6 NCC1CCC1 SC-12470 [1,0,0,1,0,0|1,0,1]=4 612 B6R1.6 NCC1CCC1 SC-22241 [1,0,0,1,0,0|1,0,1]=4 613 B6R1.6 NCC1CCC1 SC-A4294 [1,0,0,1,0,0|1,0,1]=4 614 B6R1.6 NNC1CCC1 SC-12374 [1,0,0,1,0,0|2,0,0]=4 615 B6R1.6 NNC1CCC1 SC-12770 [1,0,0,1,0,0|2,0,0]=4 616 B6R1.6 NNC1CCC1 SC-72265 [1,0,0,1,0,0|2,0,0]=4 617 B6R1.6 O=CC1CCC1 SC-14218 [1,0,0,1,0,0|0,0,0]=2 618 B6R1.6 O=CC1COC1 SC-65750 [1,0,0,1,0,0|1,0,0]=3 619 B6R1.6 OCC1CCC1 SC-16736 [1,0,0,1,0,0|0,0,1]=3 620 B6R1.6 OCC1CCO1 SC-48256 [1,0,0,1,0,0|1,0,1]=4 621 B6R1.6 OCC1CNC1 SC-12744 [1,0,0,1,0,0|1,0,1]=4 622 B6R1.6 OCC1CNC1 SC-49233 [1,0,0,1,0,0|1,0,1]=4 623 B6R1.6 OCC1COC1 SC-48581 [1,0,0,1,0,0|1,0,1]=4 624 B8R1.1 C=CC1COC(=O)O1 SC-15987 [0,1,0,1,0,0|0,0,2]=4 625 B8R1.1 C[C@H]1CC[C@@H](CO)N1 SC-91672 [0,1,0,1,0,0|1,0,1]=4 626 B8R1.1 NCC1CCC(=O)N1 SC-53656 [0,1,0,1,0,0|1,0,0]=3 627 B8R1.1 NC[C@@H]1CCC(=O)N1 SC-44056 [0,1,0,1,0,0|1,0,0]=3 628 B8R1.1 O=C1CC(CO)CN1 SC-66045 [0,1,0,1,0,0|2,0,0]=4 629 B8R1.1 O=C1CC[C@@H](CO)N1 SC-09020 [0,1,0,1,0,0|1,0,0]=3 630 B8R1.1 O=C1CC[C@@H](CO)O1 SC-03496 [0,1,0,1,0,0|0,0,0]=2 631 B8R1.1 O=C1CC[C@H](CO)N1 SC-19648 [0,1,0,1,0,0|1,0,0]=3 632 B8R1.1 O=C1N[C@@H](CO)CO1 SC-33166 [0,1,0,1,0,0|2,0,0]=4 633 B8R1.1 [C@H]1(CBr)CCC(=O)N1 SC-23592 [0,1,0,1,0,0|1,0,0]=3 634 B8R1.4 CC1CC(=O)CCN1 SC-14913 [0,1,0,1,0,0|1,0,0]=3 635 B8R1.4 CC1CC(=O)CCN1 SC-26346 [0,1,0,1,0,0|1,0,0]=3 636 B8R1.4 CC1CC(=O)CCO1 SC-43658 [0,1,0,1,0,0|1,0,0]=3 637 B8R1.4 CC1CC(O)CCO1 SC-15639 [0,1,0,1,0,0|1,0,1]=4 638 B8R1.4 CC1CCCC(=O)N1 SC-90092 [0,1,0,1,0,0|1,0,0]=3 639 B8R1.4 CC1CCNC(=O)C1 SC-65553 [0,1,0,1,0,0|1,0,0]=3 640 B8R1.4 CC1CNCC(=O)N1 SC-68745 [0,1,0,1,0,0|1,0,0]=3 641 B8R1.4 CN1CCCC(=O)C1 SC-88063 [0,1,0,1,0,0|1,0,0]=3 642 B8R1.4 CN1CCNC(=O)C1 SC-43594 [0,1,0,1,0,0|2,0,0]=4 643 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 SC-53240 [0,1,0,1,0,0|1,0,1]=4 644 B8R1.4 C[C@H]1CNC[C@@H](C)O1 SC-15727 [0,1,0,1,0,0|1,0,1]=4 645 B8R1.4 C[C@H]1CNC[C@H](C)O1 SC-50936 [0,1,0,1,0,0|1,0,1]=4 646 B8R1.4 C[C@H]1COCC(=O)N1 SC-82343 [0,1,0,1,0,0|1,0,0]=3 647 B8R1.4 NC1=CC(=O)CCC1 SC-18537 [0,1,0,1,0,0|1,0,1]=4 648 B8R1.4 NC1CCCC(O)C1 SC-19361 [0,1,0,1,0,0|1,0,1]=4 649 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 SC-43595 [0,1,0,1,0,0|1,0,1]=4 650 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 SC-47974 [0,1,0,1,0,0|1,0,1]=4 651 B8R1.4 N[C@@H]1CCC[C@H](O)C1 SC-43598 [0,1,0,1,0,0|1,0,1]=4 652 B8R1.4 N[C@H]1CCC[C@@H](O)C1 SC-12531 [0,1,0,1,0,0|1,0,1]=4 653 B8R1.4 N[C@H]1CCC[C@@H](O)C1 SC-43597 [0,1,0,1,0,0|1,0,1]=4 654 B8R1.4 O=C1CC(O)CCN1 SC-14921 [0,1,0,1,0,0|1,0,0]=3 655 B8R1.4 O=C1CC(O)CCN1 SC-26449 [0,1,0,1,0,0|1,0,0]=3 656 B8R1.4 O=C1CCCC(=O)C1 SC-16085 [0,1,0,1,0,0|1,0,1]=4 657 B8R1.4 O=C1CCCC(=O)N1 SC-65454 [0,1,0,1,0,0|1,0,1]=4 658 B8R1.4 O=C1CCCC(=O)O1 SC-43876 [0,1,0,1,0,0|0,0,1]=3 659 B8R1.4 O=C1CCCC(O)C1 SC-52929 [0,1,0,1,0,0|1,0,0]=3 660 B8R1.4 O=C1COCC(=O)O1 SC-26890 [0,1,0,1,0,0|1,0,1]=4 661 B8R1.18 CC1CC(=O)OC1=O SC-97577 [0,1,0,1,0,0|1,0,1]=4 662 B8R1.18 CC1OC(=O)OC1C SC-21491 [0,1,0,1,0,0|1,0,0]=3 663 B8R1.34 O=C(O)CC1CCC1 SC-26391 [0,1,0,1,0,0|0,0,0]=2 664 B8R1.34 O=C(O)CC1COC1 SC-70807 [0,1,0,1,0,0|0,0,0]=2 665 B8R1.34 O=C(O)CN1CCC1 SC-A4384 [0,1,0,1,0,0|0,0,0]=2 666 B8R1.40 COC(=O)CC1CC1 SC-93890 [0,1,0,1,0,0|0,0,0]=2 667 B8R1.40 NCC(=O)OC1CC1 SC-19491 [0,1,0,1,0,0|2,0,0]=4 668 B8R1.40 NNC(=O)CC1CC1 SC-91241 [0,1,0,1,0,0|1,0,0]=3 669 B8R1.42 CC(=O)OC1(C)CC1 SC-91864 [0,1,0,1,0,0|2,0,0]=4 670 B8R1.51 CC1(C)CCC(=O)O1 SC-21203 [0,1,0,1,0,0|0,0,0]=2 671 B8R1.51 CC1(C)CNC(=O)C1 SC-70558 [0,1,0,1,0,0|2,0,0]=4 672 B8R1.51 CC1CCS(=O)(=O)O1 SC-21616 [0,1,0,1,0,0|1,0,0]=3 673 B8R1.51 C[C@@H]1COS(=O)(=O)O1 SC-69929 [0,1,0,1,0,0|2,0,0]=4 674 B8R1.51 NC1CCS(=O)(=O)C1 SC-43760 [0,1,0,1,0,0|1,0,1]=4 675 B8R1.83 COC(=O)[C@@H]1O[C@H]1C SC-49429 [0,1,0,1,0,0|1,0,0]=3 676 B8R1.2 BrCC1CCCCO1 SC-20895 [0,1,0,1,0,0|1,0,1]=4 677 B8R1.2 COC1=CCCCC1 SC-28269 [0,1,0,1,0,0|1,0,0]=3 678 B8R1.2 NCC1CCCCO1 SC-27902 [0,1,0,1,0,0|1,0,1]=4 679 B8R1.2 O=CC1=COCCC1 SC-46524 [0,1,0,1,0,0|2,0,0]=4 680 B8R1.2 O=CC1CCCCC1 SC-02305 [0,1,0,1,0,0|1,0,1]=4 681 B8R1.2 O=CC1CCCCN1 SC-29120 [0,1,0,1,0,0|1,0,1]=4 682 B8R1.2 O=CN1CCCCC1 SC-02942 [0,1,0,1,0,0|2,0,0]=4 683 B8R1.2 OCC1CCCCC1 SC-00039 [0,1,0,1,0,0|1,0,1]=4 684 B8R1.2 OCC1CCCCO1 SC-00052 [0,1,0,1,0,0|0,0,2]=4 685 B8R1.2 OC[C@H]1CCCCN1 SC-83108 [0,1,0,1,0,0|1,0,1]=4 686 B8R1.2 ONC1CCCCC1 SC-A3793 [0,1,0,1,0,0|1,0,1]=4 687 B8R1.3 CC1=CCC(=O)CC1 SC-25236 [0,1,0,1,0,0|1,0,1]=4 688 B8R1.3 CC1=CCC(=O)CC1 SC-83877 [0,1,0,1,0,0|1,0,1]=4 689 B8R1.3 CC1=NNC(=O)CC1 SC-73679 [0,1,0,1,0,0|1,0,1]=4 690 B8R1.3 CN1CCC(=O)CC1 SC-01124 [0,1,0,1,0,0|2,0,0]=4 691 B8R1.3 CN1CCC(=O)CC1 SC-90211 [0,1,0,1,0,0|2,0,0]=4 692 B8R1.3 NC1CCC(=O)CC1 SC-51421 [0,1,0,1,0,0|1,0,0]=3 693 B8R1.3 NC1CCC(=O)CC1 SC-94303 [0,1,0,1,0,0|1,0,0]=3 694 B8R1.3 NC1CCC(O)CC1 SC-26489 [0,1,0,1,0,0|1,0,1]=4 695 B8R1.3 NC1CCC(O)CC1 SC-43558 [0,1,0,1,0,0|1,0,1]=4 696 B8R1.3 NC1CCC(O)CC1 SC-45530 [0,1,0,1,0,0|1,0,1]=4 697 B8R1.3 N[C@H]1CCC(=O)NC1 SC-A3084 [0,1,0,1,0,0|1,0,0]=3 698 B8R1.3 N[C@H]1CC[C@H](O)CC1 SC-03065 [0,1,0,1,0,0|1,0,1]=4 699 B8R1.3 N[C@H]1CC[C@H](O)CC1 SC-21292 [0,1,0,1,0,0|1,0,1]=4 700 B8R1.3 O=C1CCC(=O)CC1 SC-15336 [0,1,0,1,0,0|1,0,1]=4 701 B8R1.3 O=C1CCC(=O)NC1 SC-35404 [0,1,0,1,0,0|1,0,1]=4 702 B8R1.3 O=C1CCC(O)CC1 SC-22101 [0,1,0,1,0,0|1,0,0]=3 703 B8R1.3 O=C1CCC(O)CN1 SC-14920 [0,1,0,1,0,0|1,0,0]=3 704 B8R1.3 O=C1COC(=O)CN1 SC-96522 [0,1,0,1,0,0|1,0,1]=4 705 B8R1.3 O=C1COC(=O)CO1 SC-86894 [0,1,0,1,0,0|1,0,1]=4 706 B8R1.3 OC1CCC(O)CC1 SC-22723 [0,1,0,1,0,0|1,0,1]=4 707 B8R1.3 O[C@H]1CC[C@H](O)CC1 SC-51814 [0,1,0,1,0,0|1,0,1]=4 708 B8R1.5 CC1CCCCC1=O SC-20428 [0,1,0,1,0,0|1,0,0]=3 709 B8R1.5 C[C@H]1NCCNC1=O SC-05130 [0,1,0,1,0,0|2,0,0]=4 710 B8R1.5 NC1CCCCC1=O SC-22252 [0,1,0,1,0,0|1,0,0]=3 711 B8R1.5 NC1CCCCC1=O SC-84826 [0,1,0,1,0,0|1,0,0]=3 712 B8R1.5 NC1CCCCC1O SC-45073 [0,1,0,1,0,0|1,0,1]=4 713 B8R1.5 NC1CCCC[C@@H]1O SC-44498 [0,1,0,1,0,0|1,0,1]=4 714 B8R1.5 NC1CCCNC1=O SC-14514 [0,1,0,1,0,0|1,0,0]=3 715 B8R1.5 N[C@@H]1CCCC[C@H]1O SC-15016 [0,1,0,1,0,0|1,0,1]=4 716 B8R1.5 N[C@@H]1CCCC[C@H]1O SC-26535 [0,1,0,1,0,0|1,0,1]=4 717 B8R1.5 N[C@@H]1CCCNC1=O SC-48796 [0,1,0,1,0,0|1,0,0]=3 718 B8R1.5 N[C@H]1CCCC[C@@H]1O SC-26530 [0,1,0,1,0,0|1,0,1]=4 719 B8R1.5 N[C@H]1CCCC[C@H]1O SC-26560 [0,1,0,1,0,0|1,0,1]=4 720 B8R1.5 N[C@H]1CCCC[C@H]1O SC-35500 [0,1,0,1,0,0|1,0,1]=4 721 B8R1.5 N[C@H]1CCCC[C@H]1O SC-70916 [0,1,0,1,0,0|1,0,1]=4 722 B8R1.5 N[C@H]1CCCC[C@H]1O SC-99850 [0,1,0,1,0,0|1,0,1]=4 723 B8R1.5 N[C@H]1CCCNC1=O SC-27263 [0,1,0,1,0,0|1,0,0]=3 724 B8R1.5 O=C1CCCCC1=O SC-46435 [0,1,0,1,0,0|0,0,1]=3 725 B8R1.5 O=C1CCCCC1Br SC-86496 [0,1,0,1,0,0|1,0,0]=3 726 B8R1.5 O=C1CCCCC1Cl SC-20977 [0,1,0,1,0,0|1,0,0]=3 727 B8R1.5 O=C1CCCCC1O SC-49144 [0,1,0,1,0,0|0,0,0]=2 728 B8R1.5 O=C1CCNCC1Br SC-94331 [0,1,0,1,0,0|2,0,0]=4 729 B8R1.5 O=C1CCOCC1Br SC-33711 [0,1,0,1,0,0|2,0,0]=4 730 B8R1.5 O=C1NCCCC1O SC-14922 [0,1,0,1,0,0|1,0,0]=3 731 B8R1.5 O[C@@H]1CCCC[C@H]1O SC-20091 [0,1,0,1,0,0|0,0,2]=4 732 B8R1.5 O[C@H]1CCCC[C@H]1O SC-95524 [0,1,0,1,0,0|0,0,2]=4 733 B8R1.22 O=C1C=CCCCC1 SC-99582 [0,1,0,1,0,0|1,0,0]=3 734 B8R1.22 O=C1CCCNCC1 SC-20974 [0,1,0,1,0,0|1,0,0]=3 735 B8R1.22 O=C1CCCNCC1 SC-20993 [0,1,0,1,0,0|1,0,0]=3 736 B8R1.22 O=C1CCNCCN1 SC-05951 [0,1,0,1,0,0|1,0,0]=3 737 B8R1.22 O=C1CNCCCN1 SC-21981 [0,1,0,1,0,0|1,0,0]=3 738 B8R1.38 COC(=O)C1CNC1 SC-12674 [0,1,0,1,0,0|1,0,0]=3 739 B8R1.38 COC(=O)C1CNC1 SC-12778 [0,1,0,1,0,0|1,0,0]=3 740 B8R1.38 O=C(CBr)C1CCC1 SC-23369 [0,1,0,1,0,0|1,0,0]=3 741 B8R1.50 C=C1CCN(C)C1=O SC-48828 [0,1,0,1,0,0|2,0,0]=4 742 B8R1.50 CC1=C(O)C(=O)CC1 SC-74535 [0,1,0,1,0,0|0,0,1]=3 743 B8R1.50 CN1C(=O)CCC1O SC-88414 [0,1,0,1,0,0|2,0,0]=4 744 B8R1.50 O=C1CCC(=O)N1O SC-11266 [0,1,0,1,0,0|1,0,1]=4 745 B8R1.52 C#CC1(O)CCCC1 SC-86923 [0,1,0,1,0,0|1,0,1]=4 746 B8R1.52 NC1(CO)CCCC1 SC-89144 [0,1,0,1,0,0|1,0,1]=4 747 B8R1.52 NCC1(O)CCCC1 SC-84863 [0,1,0,1,0,0|1,0,1]=4 748 B8R1.7 CC(=O)C1CCCC1 SC-69830 [0,1,0,1,0,0|1,0,0]=3 749 B8R1.7 NC(=O)C1CCCN1 SC-24789 [0,1,0,1,0,0|1,0,0]=3 750 B8R1.7 NC(=O)C1CCNC1 SC-A3191 [0,1,0,1,0,0|1,0,0]=3 751 B8R1.7 NC(=O)[C@@H]1CCCN1 SC-06632 [0,1,0,1,0,0|1,0,0]=3 752 B8R1.7 O=C(Cl)C1CCCC1 SC-45320 [0,1,0,1,0,0|1,0,0]=3 753 B8R1.7 O=C(Cl)N1CCCC1 SC-72914 [0,1,0,1,0,0|1,0,0]=3 754 B8R1.7 O=C(O)C1=CCCC1 SC-65352 [0,1,0,1,0,0|0,0,1]=3 755 B8R1.7 O=C(O)C1CC=CC1 SC-25940 [0,1,0,1,0,0|0,0,1]=3 756 B8R1.7 O=C(O)C1CCCC1 SC-18675 [0,1,0,1,0,0|0,0,0]=2 757 B8R1.7 O=C(O)C1CCCN1 SC-09807 [0,1,0,1,0,0|0,0,0]=2 758 B8R1.7 O=C(O)C1CCCO1 SC-A4307 [0,1,0,1,0,0|0,0,0]=2 759 B8R1.7 O=C(O)C1CCOC1 SC-21248 [0,1,0,1,0,0|0,0,0]=2 760 B8R1.7 O=C(O)[C@@H]1CCCN1 SC-09806 [0,1,0,1,0,0|0,0,0]=2 761 B8R1.7 O=C(O)[C@@H]1CCNC1 SC-48463 [0,1,0,1,0,0|0,0,0]=2 762 B8R1.7 O=C(O)[C@@H]1CCOC1 SC-25192 [0,1,0,1,0,0|0,0,0]=2 763 B8R1.7 O=C(O)[C@@H]1CSCN1 SC-77532 [0,1,0,1,0,0|1,0,0]=3 764 B8R1.7 O=C(O)[C@H]1CCCN1 SC-09805 [0,1,0,1,0,0|0,0,0]=2 765 B8R1.7 O=C(O)[C@H]1CCCO1 SC-07092 [0,1,0,1,0,0|0,0,0]=2 766 B8R1.7 O=C(O)[C@H]1CCNC1 SC-25206 [0,1,0,1,0,0|0,0,0]=2 767 B8R1.7 OB(O)C1CCCC1 SC-58324 [0,1,0,1,0,0|1,0,1]=4 768 B8R1.7 S=C([S-])N1CCCC1 SC-15169 [0,1,0,1,0,0|0,2,0]=4 769 B8R1.7 [C@H]1(C(=O)O)CCNC1 SC-48462 [0,1,0,1,0,0|0,0,0]=2 770 B8R1.7 [C@H]1(C(N)=O)CCCN1 SC-13550 [0,1,0,1,0,0|1,0,0]=3 771 B8R1.35 O=C(O)CCC1CC1 SC-31428 [0,1,0,1,0,0|0,0,0]=2 772 B8R1.72 CC1(O)CCCCC1 SC-44648 [0,1,0,1,0,0|1,0,1]=4 773 B8R1.72 O=S1(=O)CCCCN1 SC-48177 [0,1,0,1,0,0|1,0,1]=4 774 B8R1.72 O=S1(=O)CCCCO1 SC-15335 [0,1,0,1,0,0|1,0,0]=3 775 B8R1.72 O=S1(=O)CCNCC1 SC-04097 [0,1,0,1,0,0|1,0,1]=4 776 B8R1.72 O=S1(=O)CCNCC1 SC-05623 [0,1,0,1,0,0|1,0,1]=4 777 B8R1.23 C=C1CC(C(=O)O)C1 SC-20999 [0,1,0,1,0,0|0,0,1]=3 778 B8R1.23 CC(=O)N1CC(N)C1 SC-51444 [0,1,0,1,0,0|2,0,0]=4 779 B8R1.23 CC(=O)N1CC(N)C1 SC-A3072 [0,1,0,1,0,0|2,0,0]=4 780 B8R1.23 CC1CC(C(=O)O)C1 SC-73078 [0,1,0,1,0,0|0,0,0]=2 781 B8R1.23 CN1CC(C(=O)O)C1 SC-49053 [0,1,0,1,0,0|1,0,0]=3 782 B8R1.23 O=C(O)C1CC(F)C1 SC-26589 [0,1,0,1,0,0|0,0,0]=2 783 B8R1.23 O=C1CC(C(=O)O)C1 SC-14962 [0,1,0,1,0,0|0,0,1]=3 784 B8R1.54 NC(C(=O)O)C1CC1 SC-45627 [0,1,0,1,0,0|0,0,0]=2 785 B8R1.54 N[C@H](C(=O)O)C1CC1 SC-20216 [0,1,0,1,0,0|0,0,0]=2 786 B8R1.54 O=C(O)C(=O)C1CC1 SC-49223 [0,1,0,1,0,0|0,0,1]=3 787 B8R1.78 CC1(C(=O)O)CCC1 SC-25545 [0,1,0,1,0,0|0,0,0]=2 788 B8R1.78 CC1(C(=O)O)COC1 SC-26457 [0,1,0,1,0,0|1,0,0]=3 789 B8R1.78 NC1(C(=O)O)CCC1 SC-21579 [0,1,0,1,0,0|0,0,0]=2 790 B8R1.78 NC1(C(=O)O)CCC1 SC-25077 [0,1,0,1,0,0|0,0,0]=2 791 B8R1.78 NC1(C(=O)O)CCC1 SC-53797 [0,1,0,1,0,0|0,0,0]=2 792 B8R1.78 O=C(O)C1(Br)CCC1 SC-65747 [0,1,0,1,0,0|0,0,0]=2 793 B8R1.77 O=C(O)C1CC1(F)F SC-82822 [0,1,0,1,0,0|1,0,0]=3 794 B8R1.21 CC1OC1P(=O)(O)O SC-18771 [0,1,0,1,0,0|2,0,0]=4 795 B8R1.55 O=S(=O)(Cl)C1CCC1 SC-48291 [0,1,0,1,0,0|1,0,1]=4