0 B6R0.1 C#CC(=O)OCC SC-05846 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 C#CCC(=O)OC SC-13148 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.1 C=CCC(=O)OC SC-48829 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.1 CC#CC(=O)OC SC-48510 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.1 CCOC(=O)C#N SC-20120 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.1 CCOC(=O)CBr SC-17870 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.1 CCOC(=O)CCl SC-79310 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.1 CCOC(=O)CN SC-09569 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.1 CCOC(=O)CN SC-48652 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.1 CCOC(=O)CO SC-50412 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.1 CCOC(=O)CS SC-18381 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.1 CCOC(=O)NN SC-50147 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.1 CC[C@@H](N)COC SC-65714 [0,0,0,0,0,0|2,1,1]=4 13 B6R0.1 CC[C@H](N)COC SC-89974 [0,0,0,0,0,0|2,1,1]=4 14 B6R0.1 CNC(=O)CC#N SC-97600 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.1 CNCC(=O)OC SC-10432 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.1 COC(=O)C#CBr SC-66291 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.1 COC(=O)CC=O SC-53143 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.1 COC(=O)CCBr SC-18677 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.1 COC(=O)CCN SC-21486 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.1 COC(=O)CCO SC-21690 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.1 COC(=O)CSC SC-20536 [0,0,0,0,0,0|0,0,0]=0 22 B6R0.1 COC(=O)N=C=S SC-A2325 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.1 COC(=O)OCCl SC-53303 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.1 COCC(=O)NN SC-54001 [0,0,0,0,0,0|2,1,0]=3 25 B6R0.1 COCC(=O)OC SC-62202 [0,0,0,0,0,0|0,1,0]=1 26 B6R0.1 CO\C(C)=N\C#N SC-14025 [0,0,0,0,0,0|4,0,0]=4 27 B6R0.1 C\C=C\C(=O)OC SC-22589 [0,0,0,0,0,0|1,0,1]=2 28 B6R0.1 N#CCC(=O)NN SC-39668 [0,0,0,0,0,0|4,0,0]=4 29 B6R0.1 [C-]#[N+]CC(=O)OC SC-19522 [0,0,0,0,0,0|1,0,1]=2 30 B5R0.1 C#CCC(=O)O SC-40344 [1,0,0,0,0,0|1,0,1]=3 31 B5R0.1 C=C(C)CCBr SC-26305 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 C=C(C)OCC SC-18086 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 C=CCC(=O)O SC-49093 [1,0,0,0,0,0|1,0,1]=3 34 B5R0.1 C=COC(C)=O SC-79059 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 CC#CC(=O)O SC-76460 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.1 CC(=O)CC#N SC-26510 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.1 CC(=O)CCCl SC-21586 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 CC(=O)CCO SC-65678 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.1 CC(=O)OCBr SC-44237 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 CC(=O)\C=N/O SC-89466 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 CC(=O)\C=N\O SC-68143 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 CCCB(O)O SC-47544 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 CCCC(=N)N SC-19347 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 CCCC(=O)Cl SC-18924 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 CCCC(=O)[O-] SC-15718 [1,0,0,0,0,0|1,0,1]=3 46 B5R0.1 CCCC(C)N SC-53929 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 CCCC(C)O SC-03320 [1,0,0,0,0,0|1,0,2]=4 48 B5R0.1 CCCC(N)=O SC-46377 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.1 CCOC(C)=N SC-02547 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.1 CCOC(C)=N SC-A3540 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.1 CCOC(N)=O SC-16133 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.1 CNCC(=O)O SC-10425 [1,0,0,0,0,0|1,0,0]=2 53 B5R0.1 CNCC(N)=O SC-10429 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.1 COCC(=N)N SC-41213 [1,0,0,0,0,0|2,1,0]=4 55 B5R0.1 COCC(=N)N SC-73218 [1,0,0,0,0,0|2,1,0]=4 56 B5R0.1 COCC(=O)Cl SC-27381 [1,0,0,0,0,0|1,1,0]=3 57 B5R0.1 COCC(C)N SC-48787 [1,0,0,0,0,0|1,1,1]=4 58 B5R0.1 COCC(C)O SC-00293 [1,0,0,0,0,0|0,1,2]=4 59 B5R0.1 COC[C@@H](C)N SC-47724 [1,0,0,0,0,0|1,1,1]=4 60 B5R0.1 COC[C@@H](C)O SC-04836 [1,0,0,0,0,0|0,1,2]=4 61 B5R0.1 CS(=O)CCN SC-89327 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.1 CSCS(C)=O SC-87090 [1,0,0,0,0,0|1,0,0]=2 63 B5R0.1 CSNC(C)=O SC-28667 [1,0,0,0,0,0|1,0,0]=2 64 B5R0.1 C\C=C/C(=O)O SC-25924 [1,0,0,0,0,0|1,0,1]=3 65 B5R0.1 C\C=C/C(C)=O SC-48085 [1,0,0,0,0,0|1,0,1]=3 66 B5R0.1 C\C=C\C(=O)Cl SC-16256 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.1 N#CCC(=O)O SC-18648 [1,0,0,0,0,0|2,0,0]=3 68 B5R0.1 N#CCC(N)=O SC-26759 [1,0,0,0,0,0|3,0,0]=4 69 B5R0.1 NCCC(=O)O SC-10014 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.1 NCCC(N)=O SC-48688 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.1 NCCC(N)=O SC-84499 [1,0,0,0,0,0|3,0,0]=4 72 B5R0.1 O=C(Cl)CCCl SC-16310 [1,0,0,0,0,0|3,0,0]=4 73 B5R0.1 O=C(O)CCBr SC-18441 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.1 O=C(O)CCS SC-22642 [1,0,0,0,0,0|2,0,0]=3 75 B5R0.2 CNCCNC SC-19090 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.2 CNCCOC SC-15056 [1,0,0,0,0,0|1,0,1]=3 77 B5R0.2 CNCCSC SC-74374 [1,0,0,0,0,0|1,0,1]=3 78 B5R0.2 CNCCSC SC-83575 [1,0,0,0,0,0|1,0,1]=3 79 B5R0.2 COCCC=O SC-85357 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.2 COCCCBr SC-20920 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.2 COCCNN SC-53129 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.2 COCCNN SC-70814 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.2 C\C=C\OCC SC-89361 [1,0,0,0,0,0|3,0,0]=4 84 B5R0.3 C#CC(=O)OC SC-27849 [1,0,0,0,0,0|0,0,2]=3 85 B5R0.3 CCC(=O)NN SC-25039 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.3 CCC(N)CC SC-81736 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.3 CCC(O)CC SC-62307 [1,0,0,0,0,0|1,0,2]=4 88 B5R0.3 CC[PH](=O)CC SC-96905 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.3 CC\C(N)=N\O SC-28960 [1,0,0,0,0,0|3,0,0]=4 90 B5R0.3 CNC(=O)CBr SC-27946 [1,0,0,0,0,0|2,0,0]=3 91 B5R0.3 CNC(=O)CN SC-47802 [1,0,0,0,0,0|2,0,0]=3 92 B5R0.3 CNC(=O)OC SC-97890 [1,0,0,0,0,0|1,0,0]=2 93 B5R0.3 COC(=O)C#N SC-49091 [1,0,0,0,0,0|1,0,1]=3 94 B5R0.3 COC(=O)CBr SC-15855 [1,0,0,0,0,0|1,0,0]=2 95 B5R0.3 COC(=O)CN SC-09571 [1,0,0,0,0,0|1,0,0]=2 96 B5R0.3 COC(=O)CN SC-49390 [1,0,0,0,0,0|1,0,0]=2 97 B5R0.3 COC(=O)CO SC-28291 [1,0,0,0,0,0|0,1,0]=2 98 B5R0.3 COC(=O)CS SC-54102 [1,0,0,0,0,0|0,0,0]=1 99 B5R0.3 COC(C)CN SC-A4864 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.3 COS(=O)OC SC-25522 [1,0,0,0,0,0|1,1,0]=3 101 B5R0.3 CO[C@H](C)CO SC-71357 [1,0,0,0,0,0|1,1,1]=4 102 B5R0.3 CSC(=S)SC SC-19457 [1,0,0,0,0,0|0,2,0]=3 103 B5R0.3 CS\C(N)=N\N SC-47788 [1,0,0,0,0,0|3,0,0]=4 104 B5R0.3 NNC(=O)CO SC-83204 [1,0,0,0,0,0|2,1,0]=4 105 B5R0.3 O=C(CBr)CBr SC-99341 [1,0,0,0,0,0|3,0,0]=4 106 B5R0.3 O=C(CO)CO SC-07450 [1,0,0,0,0,0|2,1,0]=4 107 B7R0.2 COC(=O)CC(=O)Cl SC-16087 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.2 COC(=O)CC(=O)O SC-21351 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.2 COC(=O)CC(C)Br SC-67097 [0,1,0,0,0,0|1,0,0]=2 110 B7R0.2 COC(=O)C[C@@H](C)N SC-88822 [0,1,0,0,0,0|1,0,0]=2 111 B7R0.2 COC(=O)C[C@@H](C)N SC-A1096 [0,1,0,0,0,0|1,0,0]=2 112 B7R0.2 COC(=O)C[N+](=O)[O-] SC-21869 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.3 C#CCCC(=O)OC SC-92252 [0,1,0,0,0,0|1,0,1]=3 114 B7R0.3 C=CCOC(=O)OC SC-82329 [0,1,0,0,0,0|1,0,1]=3 115 B7R0.3 CCCCC(=N)OC SC-91480 [0,1,0,0,0,0|2,0,0]=3 116 B7R0.3 CCOCC(Cl)OC SC-94025 [0,1,0,0,0,0|1,1,1]=4 117 B7R0.3 COC(=O)C#CCO SC-48272 [0,1,0,0,0,0|1,0,1]=3 118 B7R0.3 COC(=O)CCC=O SC-47529 [0,1,0,0,0,0|1,0,1]=3 119 B7R0.3 COC(=O)CCCCl SC-15079 [0,1,0,0,0,0|1,0,0]=2 120 B7R0.3 COC(=O)CN=C=O SC-49023 [0,1,0,0,0,0|1,0,1]=3 121 B7R0.3 COC(=O)CN=[N+]=[N-] SC-96313 [0,1,0,0,0,0|2,0,0]=3 122 B7R0.3 COC(=O)\C=C\CBr SC-17676 [0,1,0,0,0,0|1,0,1]=3 123 B7R0.3 COC(=O)\C=C\CBr SC-49570 [0,1,0,0,0,0|1,0,1]=3 124 B7R0.3 COCCC(=O)OC SC-46379 [0,1,0,0,0,0|0,1,0]=2 125 B7R0.3 CO\C=C\C(=O)OC SC-90792 [0,1,0,0,0,0|0,1,1]=3 126 B7R0.3 [C-]#[N+]CCC(=O)OC SC-88998 [0,1,0,0,0,0|1,0,1]=3 127 B7R0.5 CC(C)C(=O)CC#N SC-26894 [0,1,0,0,0,0|3,0,0]=4 128 B7R0.5 CCNC(=O)[C@H](C)O SC-12514 [0,1,0,0,0,0|3,0,0]=4 129 B7R0.5 CCOC(=O)C(C)=O SC-15232 [0,1,0,0,0,0|3,0,0]=4 130 B7R0.5 CCOC(=O)C(C)Br SC-27136 [0,1,0,0,0,0|3,0,0]=4 131 B7R0.5 CCOC(=O)C(C)Cl SC-13657 [0,1,0,0,0,0|3,0,0]=4 132 B7R0.5 CCOC(=O)C(C)F SC-75945 [0,1,0,0,0,0|3,0,0]=4 133 B7R0.5 CCOC(=O)C(C)N SC-09294 [0,1,0,0,0,0|3,0,0]=4 134 B7R0.5 CCOC(=O)C(C)N SC-13100 [0,1,0,0,0,0|3,0,0]=4 135 B7R0.5 CCOC(=O)C(C)N SC-15274 [0,1,0,0,0,0|3,0,0]=4 136 B7R0.5 CCOC(=O)N(C)C SC-88157 [0,1,0,0,0,0|3,0,0]=4 137 B7R0.5 CCOC(=O)[C@@H](C)O SC-15791 [0,1,0,0,0,0|3,0,0]=4 138 B7R0.5 CN(C)C(=O)CC#N SC-46380 [0,1,0,0,0,0|3,0,0]=4 139 B7R0.5 CNCC(=O)N(C)C SC-A2871 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.7 CC#CC(=O)OCC SC-54369 [0,1,0,0,0,0|1,0,1]=3 141 B7R0.7 CCOC(=O)C=[N+]=[N-] SC-25567 [0,1,0,0,0,0|2,0,1]=4 142 B7R0.7 CCOC(=O)CC#N SC-22643 [0,1,0,0,0,0|2,0,0]=3 143 B7R0.7 CCOC(=O)CC=O SC-14726 [0,1,0,0,0,0|2,0,0]=3 144 B7R0.7 CCOC(=O)CCI SC-02730 [0,1,0,0,0,0|2,0,0]=3 145 B7R0.7 CCOC(=O)CCN SC-83852 [0,1,0,0,0,0|2,0,0]=3 146 B7R0.7 CCOC(=O)CCO SC-43709 [0,1,0,0,0,0|2,0,0]=3 147 B7R0.7 CCOC(=O)CCS SC-44443 [0,1,0,0,0,0|2,0,0]=3 148 B7R0.7 CCOC(=O)CNN SC-06315 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.7 CCOC(=O)N=C=S SC-27157 [0,1,0,0,0,0|3,0,0]=4 150 B7R0.7 CCOC(=O)OCC SC-25934 [0,1,0,0,0,0|2,0,0]=3 151 B7R0.7 CCOC(=O)OCCl SC-35252 [0,1,0,0,0,0|2,0,0]=3 152 B7R0.7 CCOC(=O)\C=C\[O-] SC-71247 [0,1,0,0,0,0|2,0,1]=4 153 B7R0.7 COCC(=O)COC SC-43684 [0,1,0,0,0,0|0,1,0]=2 154 B7R0.7 COCC(O)COC SC-65162 [0,1,0,0,0,0|0,1,2]=4 155 B7R0.7 O=C(CCCl)CCCl SC-03815 [0,1,0,0,0,0|3,0,0]=4 156 B7R0.7 [C-]#[N+]CC(=O)OCC SC-03259 [0,1,0,0,0,0|1,0,1]=3 157 B7R0.10 C=C(CO)C(=O)OC SC-53992 [0,1,0,0,0,0|2,0,1]=4 158 B7R0.10 CC[C@@H](O)C(=O)OC SC-49455 [0,1,0,0,0,0|1,0,0]=2 159 B7R0.10 CC[C@H](N)C(=O)OC SC-33322 [0,1,0,0,0,0|1,0,0]=2 160 B7R0.10 CC[C@H](N)C(=O)OC SC-91370 [0,1,0,0,0,0|1,0,0]=2 161 B7R0.10 CNC(C)C(=O)OC SC-82127 [0,1,0,0,0,0|1,0,0]=2 162 B7R0.10 CN[C@@H](C)C(=O)OC SC-84501 [0,1,0,0,0,0|1,0,0]=2 163 B7R0.10 COC(=O)C(=O)CBr SC-15244 [0,1,0,0,0,0|2,0,1]=4 164 B7R0.10 COC(=O)C(Br)CO SC-87315 [0,1,0,0,0,0|2,0,0]=3 165 B7R0.10 COC(=O)C(Br)SC SC-83274 [0,1,0,0,0,0|0,0,0]=1 166 B7R0.10 COC(=O)C(C)CN SC-53925 [0,1,0,0,0,0|2,0,0]=3 167 B7R0.10 COC(=O)C(C)CO SC-08906 [0,1,0,0,0,0|2,0,0]=3 168 B7R0.10 COC(=O)C(C)CO SC-08907 [0,1,0,0,0,0|2,0,0]=3 169 B7R0.10 COC(=O)C(C)OC SC-92649 [0,1,0,0,0,0|0,1,0]=2 170 B7R0.10 COC(=O)C(Cl)C=O SC-53173 [0,1,0,0,0,0|2,0,0]=3 171 B7R0.10 COC(=O)C(Cl)CCl SC-48264 [0,1,0,0,0,0|2,0,0]=3 172 B7R0.10 COC(=O)C(N)CO SC-09862 [0,1,0,0,0,0|2,0,0]=3 173 B7R0.10 COC(=O)C(N)CO SC-51728 [0,1,0,0,0,0|2,0,0]=3 174 B7R0.10 COC(=O)[C@@H](C)CBr SC-08853 [0,1,0,0,0,0|2,0,0]=3 175 B7R0.10 COC(=O)[C@@H](N)CS SC-22400 [0,1,0,0,0,0|2,0,0]=3 176 B7R0.10 COC(=O)[C@@H](O)CO SC-44674 [0,1,0,0,0,0|2,0,0]=3 177 B7R0.10 COC(=O)[C@H](N)CCl SC-44813 [0,1,0,0,0,0|2,0,0]=3 178 B7R0.10 COC(=O)[C@H](N)CO SC-21448 [0,1,0,0,0,0|2,0,0]=3 179 B7R0.10 COC(=O)[C@H](N)CS SC-95830 [0,1,0,0,0,0|2,0,0]=3 180 B7R0.10 C\C=C(/Br)C(=O)OC SC-89362 [0,1,0,0,0,0|1,0,1]=3 181 B7R0.12 CNCC(OC)OC SC-26635 [0,1,0,0,0,0|1,0,2]=4 182 B7R0.12 COCC(OC)OC SC-73556 [0,1,0,0,0,0|0,1,2]=4 183 B7R1.1 COC1=CSC=C1 SC-44608 [0,0,0,1,0,0|1,0,2]=4 184 B7R1.1 COC1=NCCC1 SC-72634 [0,0,0,1,0,0|2,0,0]=3 185 B7R1.1 COC1CCNC1 SC-12454 [0,0,0,1,0,0|2,0,1]=4 186 B7R1.1 COC1CCNC1 SC-24177 [0,0,0,1,0,0|2,0,1]=4 187 B7R1.1 CO[C@@H]1CCNC1 SC-25526 [0,0,0,1,0,0|2,0,1]=4 188 B7R1.1 CO[C@@H]1CCNC1 SC-51990 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.1 CO[C@H]1CCNC1 SC-25506 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.2 CC1=CC(=O)CC1 SC-18727 [0,0,0,1,0,0|2,0,1]=4 191 B7R1.2 CC1=CC(=O)OC1 SC-25541 [0,0,0,1,0,0|1,0,1]=3 192 B7R1.2 CC1CCC(=O)C1 SC-93748 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.2 CC1CNC(=O)C1 SC-50248 [0,0,0,1,0,0|2,0,0]=3 194 B7R1.2 CC1COC(=O)C1 SC-60836 [0,0,0,1,0,0|1,0,0]=2 195 B7R1.2 CC1COC(=O)O1 SC-65189 [0,0,0,1,0,0|2,0,0]=3 196 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [0,0,0,1,0,0|2,0,0]=3 197 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.2 NC1CNC(=O)C1 SC-66063 [0,0,0,1,0,0|3,0,0]=4 199 B7R1.2 NC1COC(=O)C1 SC-34183 [0,0,0,1,0,0|2,0,0]=3 200 B7R1.2 N[C@@H]1CNC(=O)C1 SC-A4379 [0,0,0,1,0,0|3,0,0]=4 201 B7R1.2 N[C@@H]1COC(=O)C1 SC-71558 [0,0,0,1,0,0|2,0,0]=3 202 B7R1.2 O=C1C=C(O)CO1 SC-21646 [0,0,0,1,0,0|2,0,1]=4 203 B7R1.2 O=C1CC(O)CN1 SC-29049 [0,0,0,1,0,0|3,0,0]=4 204 B7R1.2 O=C1CCC(=O)C1 SC-15331 [0,0,0,1,0,0|3,0,0]=4 205 B7R1.2 O=C1CNC(=O)C1 SC-88883 [0,0,0,1,0,0|3,0,0]=4 206 B7R1.2 O=C1COC(=O)C1 SC-86968 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.2 O=C1COC(=O)N1 SC-49693 [0,0,0,1,0,0|3,0,0]=4 208 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [0,0,0,1,0,0|3,0,0]=4 209 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [0,0,0,1,0,0|3,0,0]=4 210 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [0,0,0,1,0,0|2,0,0]=3 211 B7R1.3 BrC1=CCCCC1 SC-69986 [0,0,0,1,0,0|3,0,0]=4 212 B7R1.3 CC1=CCCCC1 SC-99243 [0,0,0,1,0,0|3,0,0]=4 213 B7R1.3 CC1=CCCNC1 SC-82898 [0,0,0,1,0,0|3,0,0]=4 214 B7R1.3 CC1CNCCO1 SC-49158 [0,0,0,1,0,0|2,0,1]=4 215 B7R1.3 CC1CNCCO1 SC-82780 [0,0,0,1,0,0|2,0,1]=4 216 B7R1.3 CC1CNCCO1 SC-A3535 [0,0,0,1,0,0|2,0,1]=4 217 B7R1.3 C[C@@H]1CNCCO1 SC-43965 [0,0,0,1,0,0|2,0,1]=4 218 B7R1.3 C[C@@H]1CNCCO1 SC-88816 [0,0,0,1,0,0|2,0,1]=4 219 B7R1.3 C[C@H]1CNCCO1 SC-44479 [0,0,0,1,0,0|2,0,1]=4 220 B7R1.3 C[SiH]1CCCCO1 SC-91060 [0,0,0,1,0,0|2,1,0]=4 221 B7R1.3 ClC1CCCCO1 SC-85266 [0,0,0,1,0,0|2,0,1]=4 222 B7R1.3 O=C1C=CCCN1 SC-25185 [0,0,0,1,0,0|2,0,1]=4 223 B7R1.3 O=C1C=CCCO1 SC-50374 [0,0,0,1,0,0|1,0,1]=3 224 B7R1.3 O=C1CCCCN1 SC-16274 [0,0,0,1,0,0|2,0,0]=3 225 B7R1.3 O=C1CCCCO1 SC-65111 [0,0,0,1,0,0|1,0,0]=2 226 B7R1.3 O=C1CCCNC1 SC-29391 [0,0,0,1,0,0|2,0,0]=3 227 B7R1.3 O=C1CCCNC1 SC-48015 [0,0,0,1,0,0|2,0,0]=3 228 B7R1.3 O=C1CCCOC1 SC-14944 [0,0,0,1,0,0|1,1,0]=3 229 B7R1.3 O=C1CCNCC1 SC-04236 [0,0,0,1,0,0|3,0,0]=4 230 B7R1.3 O=C1CCNCC1 SC-04379 [0,0,0,1,0,0|3,0,0]=4 231 B7R1.3 O=C1CCNCC1 SC-19352 [0,0,0,1,0,0|3,0,0]=4 232 B7R1.3 O=C1CCOCC1 SC-03251 [0,0,0,1,0,0|3,0,0]=4 233 B7R1.3 O=C1CCSCC1 SC-19697 [0,0,0,1,0,0|3,0,0]=4 234 B7R1.3 O=C1CNCCN1 SC-05365 [0,0,0,1,0,0|2,0,0]=3 235 B7R1.3 O=C1CNCCO1 SC-84883 [0,0,0,1,0,0|1,0,0]=2 236 B7R1.3 O=C1COCCN1 SC-24222 [0,0,0,1,0,0|1,1,0]=3 237 B7R1.3 O=C1CSCCN1 SC-28581 [0,0,0,1,0,0|1,0,0]=2 238 B7R1.3 OC1CCCCO1 SC-84303 [0,0,0,1,0,0|1,0,2]=4 239 B7R1.4 CC1=CCCC1=O SC-15856 [0,0,0,1,0,0|2,0,1]=4 240 B7R1.4 CC1CCCC1=O SC-89605 [0,0,0,1,0,0|2,0,0]=3 241 B7R1.4 CC1CCNC1=O SC-21672 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.4 CC1CCOC1=O SC-20996 [0,0,0,1,0,0|3,0,0]=4 243 B7R1.4 CN1CCNC1=O SC-89793 [0,0,0,1,0,0|3,0,0]=4 244 B7R1.4 O=C1CCCC1Cl SC-21538 [0,0,0,1,0,0|3,0,0]=4 245 B7R1.22 COC(=O)C1CC1 SC-16131 [0,0,0,1,0,0|1,0,0]=2 246 B7R1.22 NNC(=O)C1CC1 SC-B6986 [0,0,0,1,0,0|3,0,0]=4 247 B7R1.22 O=C(CBr)C1CC1 SC-20322 [0,0,0,1,0,0|3,0,0]=4 248 B7R1.25 COC1(C)CNC1 SC-50109 [0,0,0,1,0,0|2,0,1]=4 249 B4R0.1 C#CC(=O)O SC-46968 [2,0,0,0,0,0|0,0,2]=4 250 B4R0.1 C=C(C)CBr SC-50158 [2,0,0,0,0,0|2,0,0]=4 251 B4R0.1 C=C(C)CF SC-89300 [2,0,0,0,0,0|2,0,0]=4 252 B4R0.1 C=C(C)CN SC-43404 [2,0,0,0,0,0|2,0,0]=4 253 B4R0.1 C=C(C)CN SC-84159 [2,0,0,0,0,0|2,0,0]=4 254 B4R0.1 CC(=O)C#N SC-51001 [2,0,0,0,0,0|1,0,1]=4 255 B4R0.1 CC(=O)C=O SC-74380 [2,0,0,0,0,0|0,1,1]=4 256 B4R0.1 CC(=O)CBr SC-20936 [2,0,0,0,0,0|1,0,0]=3 257 B4R0.1 CC(=O)CN SC-28532 [2,0,0,0,0,0|1,0,0]=3 258 B4R0.1 CC(=O)CN SC-89750 [2,0,0,0,0,0|1,0,0]=3 259 B4R0.1 CC(=O)NO SC-18498 [2,0,0,0,0,0|1,1,0]=4 260 B4R0.1 CC(S)CS SC-A2768 [2,0,0,0,0,0|0,1,1]=4 261 B4R0.1 CCB(O)O SC-04516 [2,0,0,0,0,0|1,0,1]=4 262 B4R0.1 CCC(=N)N SC-53846 [2,0,0,0,0,0|2,0,0]=4 263 B4R0.1 CCC(=O)O SC-22887 [2,0,0,0,0,0|0,0,0]=2 264 B4R0.1 CCC(=O)[O-] SC-47286 [2,0,0,0,0,0|0,0,1]=3 265 B4R0.1 CCC(C)O SC-01234 [2,0,0,0,0,0|0,0,2]=4 266 B4R0.1 CCC(N)=O SC-18213 [2,0,0,0,0,0|1,0,0]=3 267 B4R0.1 CCS(=O)[O-] SC-20356 [2,0,0,0,0,0|1,0,1]=4 268 B4R0.1 CC[C@H](C)N SC-81828 [2,0,0,0,0,0|1,0,1]=4 269 B4R0.1 CC[C@H](C)O SC-04418 [2,0,0,0,0,0|0,0,2]=4 270 B4R0.1 CNC(N)=O SC-15862 [2,0,0,0,0,0|2,0,0]=4 271 B4R0.1 CSC(=N)N SC-97881 [2,0,0,0,0,0|2,0,0]=4 272 B4R0.1 C\C=C(\C)Br SC-91379 [2,0,0,0,0,0|1,0,1]=4 273 B4R0.1 NC(=O)CBr SC-17752 [2,0,0,0,0,0|2,0,0]=4 274 B4R0.1 NC(=O)CI SC-18913 [2,0,0,0,0,0|2,0,0]=4 275 B4R0.1 NCC(=O)O SC-26884 [2,0,0,0,0,0|1,0,0]=3 276 B4R0.1 NCC(N)=O SC-09567 [2,0,0,0,0,0|2,0,0]=4 277 B4R0.1 NCC(N)=O SC-18427 [2,0,0,0,0,0|2,0,0]=4 278 B4R0.1 O=C(Br)CBr SC-18428 [2,0,0,0,0,0|2,0,0]=4 279 B4R0.1 O=C(Cl)CBr SC-49267 [2,0,0,0,0,0|2,0,0]=4 280 B4R0.1 O=C(O)CBr SC-18211 [2,0,0,0,0,0|1,0,0]=3 281 B4R0.1 O=C(O)CO SC-23119 [2,0,0,0,0,0|0,1,0]=3 282 B4R0.1 O=C(O)CO SC-26092 [2,0,0,0,0,0|0,1,0]=3 283 B4R0.1 O=C([O-])CI SC-80290 [2,0,0,0,0,0|1,0,1]=4 284 B4R0.1 O=CC(=O)O SC-25819 [2,0,0,0,0,0|0,1,1]=4 285 B4R0.2 C=CCNC SC-05902 [2,0,0,0,0,0|1,0,1]=4 286 B4R0.2 C=CCSC SC-47211 [2,0,0,0,0,0|0,0,1]=3 287 B4R0.2 CCCNC SC-27548 [2,0,0,0,0,0|1,0,1]=4 288 B4R0.2 CCOCC SC-73354 [2,0,0,0,0,0|2,0,0]=4 289 B4R0.2 COCC=O SC-48883 [2,0,0,0,0,0|0,1,0]=3 290 B4R0.2 COCCCl SC-05903 [2,0,0,0,0,0|1,0,1]=4 291 B4R0.2 COCCN SC-22236 [2,0,0,0,0,0|1,0,1]=4 292 B4R0.2 CSCCCl SC-53991 [2,0,0,0,0,0|1,0,1]=4 293 B4R0.2 CSCCN SC-28443 [2,0,0,0,0,0|1,0,1]=4 294 B4R0.2 CSCCN SC-83550 [2,0,0,0,0,0|1,0,1]=4 295 B4R0.2 CSCCO SC-19276 [2,0,0,0,0,0|0,0,1]=3 296 B4R0.2 C\C=C/CO SC-69832 [2,0,0,0,0,0|1,1,0]=4 297 B4R0.2 C\C=C\CCl SC-22573 [2,0,0,0,0,0|2,0,0]=4 298 B4R0.2 C\C=C\CO SC-25521 [2,0,0,0,0,0|1,1,0]=4 299 B4R0.2 C\C=C\CO SC-69597 [2,0,0,0,0,0|1,1,0]=4 300 B4R0.2 C\C=C\OC SC-97407 [2,0,0,0,0,0|0,0,1]=3 301 B4R0.2 O=CCCCl SC-71322 [2,0,0,0,0,0|2,0,0]=4 302 B4R0.2 O=CCCO SC-52939 [2,0,0,0,0,0|2,0,0]=4 303 B6R0.2 CC(=O)CC(C)=O SC-77723 [1,1,0,0,0,0|1,0,0]=3 304 B6R0.2 CC(=O)NC(C)C SC-A3057 [1,1,0,0,0,0|2,0,0]=4 305 B6R0.2 CC(=O)OC(C)C SC-25616 [1,1,0,0,0,0|2,0,0]=4 306 B6R0.2 CC(=O)\C=C(\C)N SC-89382 [1,1,0,0,0,0|1,0,1]=4 307 B6R0.2 CC(=O)\C=C(\C)O SC-20333 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.2 CC(=O)\C=C(\C)O SC-67757 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.2 CC(=O)\C=C(\C)[O-] SC-19412 [1,1,0,0,0,0|1,0,1]=4 310 B6R0.2 CC(C)=CC(=O)O SC-16257 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.2 CN(C)CC(N)=O SC-89197 [1,1,0,0,0,0|2,0,0]=4 312 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [1,1,0,0,0,0|1,0,0]=3 313 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [1,1,0,0,0,0|1,0,0]=3 314 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [1,1,0,0,0,0|1,0,0]=3 315 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [1,1,0,0,0,0|1,0,0]=3 316 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [1,1,0,0,0,0|0,0,2]=4 317 B6R0.3 C=CC(C)C(=O)O SC-65769 [1,1,0,0,0,0|1,0,1]=4 318 B6R0.3 C=C[C@H](N)C(=O)O SC-99216 [1,1,0,0,0,0|1,0,1]=4 319 B6R0.3 CC(C#N)C(=O)O SC-65741 [1,1,0,0,0,0|2,0,0]=4 320 B6R0.3 CC(CBr)C(=O)O SC-53016 [1,1,0,0,0,0|2,0,0]=4 321 B6R0.3 CC(CN)C(=O)O SC-10095 [1,1,0,0,0,0|2,0,0]=4 322 B6R0.3 CC(CN)C(=O)O SC-16443 [1,1,0,0,0,0|2,0,0]=4 323 B6R0.3 CCC(F)C(=O)O SC-82839 [1,1,0,0,0,0|1,0,0]=3 324 B6R0.3 CCC(N)C(=O)O SC-25570 [1,1,0,0,0,0|1,0,0]=3 325 B6R0.3 CCC(N)C(N)=O SC-67619 [1,1,0,0,0,0|2,0,0]=4 326 B6R0.3 CCC(S)C(=O)O SC-90417 [1,1,0,0,0,0|1,0,0]=3 327 B6R0.3 CCN(O)C(C)=O SC-69302 [1,1,0,0,0,0|2,0,0]=4 328 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [1,1,0,0,0,0|1,0,0]=3 329 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [1,1,0,0,0,0|1,0,0]=3 330 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [1,1,0,0,0,0|1,0,0]=3 331 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [1,1,0,0,0,0|1,0,0]=3 332 B6R0.3 CC[C@H](N)C(N)=O SC-15825 [1,1,0,0,0,0|2,0,0]=4 333 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [1,1,0,0,0,0|1,0,0]=3 334 B6R0.3 COC(=O)C(C)=O SC-15233 [1,1,0,0,0,0|0,1,1]=4 335 B6R0.3 COC(C)C(=O)O SC-49776 [1,1,0,0,0,0|0,1,0]=3 336 B6R0.3 CON(C)C(C)=O SC-20924 [1,1,0,0,0,0|1,1,0]=4 337 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [1,1,0,0,0,0|0,1,0]=3 338 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [1,1,0,0,0,0|0,1,0]=3 339 B6R0.3 C[C@@H](CN)C(=O)O SC-69436 [1,1,0,0,0,0|2,0,0]=4 340 B6R0.3 C[C@H](CN)C(=O)O SC-90232 [1,1,0,0,0,0|2,0,0]=4 341 B6R0.3 C[C@H](CN)C(=O)O SC-A1203 [1,1,0,0,0,0|2,0,0]=4 342 B6R0.3 NC(CO)C(=O)O SC-09828 [1,1,0,0,0,0|2,0,0]=4 343 B6R0.3 NC(CS)C(=O)O SC-16429 [1,1,0,0,0,0|2,0,0]=4 344 B6R0.3 NCC(N)C(=O)O SC-12518 [1,1,0,0,0,0|2,0,0]=4 345 B6R0.3 NCC(N)C(=O)O SC-26817 [1,1,0,0,0,0|2,0,0]=4 346 B6R0.3 NCC(O)C(=O)O SC-10335 [1,1,0,0,0,0|2,0,0]=4 347 B6R0.3 NC[C@@H](N)C(=O)O SC-10203 [1,1,0,0,0,0|2,0,0]=4 348 B6R0.3 N[C@@H](CO)C(=O)O SC-09827 [1,1,0,0,0,0|2,0,0]=4 349 B6R0.3 N[C@@H](CS)C(=O)O SC-45550 [1,1,0,0,0,0|2,0,0]=4 350 B6R0.3 N[C@H](CO)C(=O)O SC-09826 [1,1,0,0,0,0|2,0,0]=4 351 B6R0.3 O=C(O)C(Br)CBr SC-26969 [1,1,0,0,0,0|2,0,0]=4 352 B6R0.3 O=C(O)C(O)CCl SC-83865 [1,1,0,0,0,0|2,0,0]=4 353 B6R0.3 [C@@H](N)(CC)C(N)=O SC-49088 [1,1,0,0,0,0|2,0,0]=4 354 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09427 [1,1,0,0,0,0|2,0,0]=4 355 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09430 [1,1,0,0,0,0|2,0,0]=4 356 B6R0.3 [C@H](N)(CS)C(=O)O SC-09426 [1,1,0,0,0,0|2,0,0]=4 357 B6R0.4 C=C(C)CNCC SC-47240 [1,1,0,0,0,0|2,0,0]=4 358 B6R0.4 C=CCCC(=O)O SC-25836 [1,1,0,0,0,0|1,0,1]=4 359 B6R0.4 C=CNCC(=O)O SC-20808 [1,1,0,0,0,0|1,0,1]=4 360 B6R0.4 CC(=O)CCCBr SC-91341 [1,1,0,0,0,0|1,0,0]=3 361 B6R0.4 CC(=O)NCCN SC-19651 [1,1,0,0,0,0|2,0,0]=4 362 B6R0.4 CCCCC(=O)Cl SC-46867 [1,1,0,0,0,0|2,0,0]=4 363 B6R0.4 CC\C=C\C(=O)O SC-92876 [1,1,0,0,0,0|1,0,1]=4 364 B6R0.4 CNCCC(=O)O SC-27492 [1,1,0,0,0,0|1,0,0]=3 365 B6R0.4 CNCCC(=O)O SC-52914 [1,1,0,0,0,0|1,0,0]=3 366 B6R0.4 COCCC(=O)O SC-50255 [1,1,0,0,0,0|0,1,0]=3 367 B6R0.4 CO\C=C\C(C)=O SC-71024 [1,1,0,0,0,0|0,1,1]=4 368 B6R0.4 CSCCC(=O)O SC-96567 [1,1,0,0,0,0|0,0,0]=2 369 B6R0.4 NCCCC(=O)O SC-10045 [1,1,0,0,0,0|1,0,0]=3 370 B6R0.4 O=C(Cl)CCCBr SC-70369 [1,1,0,0,0,0|2,0,0]=4 371 B6R0.4 O=C(O)C#CCO SC-89192 [1,1,0,0,0,0|1,0,1]=4 372 B6R0.4 O=C(O)CCCCl SC-89723 [1,1,0,0,0,0|1,0,0]=3 373 B6R0.4 O=C(O)\C=C\CBr SC-53654 [1,1,0,0,0,0|1,0,1]=4 374 B6R0.5 CCCP(=O)(O)O SC-A3323 [1,1,0,0,0,0|2,0,0]=4 375 B6R0.5 CCCS(=O)(=O)O SC-80781 [1,1,0,0,0,0|2,0,0]=4 376 B6R0.6 CNCCCOC SC-51293 [1,1,0,0,0,0|1,0,1]=4 377 B6R0.6 COCCCCCl SC-01876 [1,1,0,0,0,0|1,0,1]=4 378 B6R0.6 COCCCOC SC-47077 [1,1,0,0,0,0|0,1,1]=4 379 B6R0.6 COCCOCCl SC-75748 [1,1,0,0,0,0|0,1,1]=4 380 B6R0.6 COCOCOC SC-73621 [1,1,0,0,0,0|0,1,1]=4 381 B6R0.6 C\C=C\CCCO SC-48265 [1,1,0,0,0,0|2,0,0]=4 382 B6R0.8 CCS(=O)(=O)CC SC-81611 [1,1,0,0,0,0|2,0,0]=4 383 B6R0.8 COP(=O)(Cl)OC SC-96906 [1,1,0,0,0,0|1,1,0]=4 384 B6R0.9 CCB(CC)OC SC-22792 [1,1,0,0,0,0|2,0,0]=4 385 B6R0.9 CCC(OC)OC SC-85699 [1,1,0,0,0,0|0,0,2]=4 386 B8R0.2 COC(=O)C(Br)C(C)C SC-16269 [0,2,0,0,0,0|1,0,0]=3 387 B8R0.2 COC(=O)C(N)C(C)O SC-09896 [0,2,0,0,0,0|1,0,0]=3 388 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O SC-67026 [0,2,0,0,0,0|1,0,0]=3 389 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O SC-83393 [0,2,0,0,0,0|1,0,0]=3 390 B8R0.5 CC(C)OC(=O)OCCl SC-47001 [0,2,0,0,0,0|2,0,0]=4 391 B8R0.5 CCCC(=O)CC(C)C SC-99431 [0,2,0,0,0,0|2,0,0]=4 392 B8R0.5 CCOC(=O)CC(=N)N SC-14407 [0,2,0,0,0,0|2,0,0]=4 393 B8R0.5 CCOC(=O)CC(=N)N SC-49384 [0,2,0,0,0,0|2,0,0]=4 394 B8R0.5 CCOC(=O)CC(=O)O SC-17786 [0,2,0,0,0,0|2,0,0]=4 395 B8R0.5 CCOC(=O)CC(=O)[O-] SC-26967 [0,2,0,0,0,0|2,0,0]=4 396 B8R0.5 CCOC(=O)CC(C)N SC-35852 [0,2,0,0,0,0|1,0,0]=3 397 B8R0.5 CCOC(=O)CC(C)O SC-08980 [0,2,0,0,0,0|1,0,0]=3 398 B8R0.5 CCOC(=O)CC(C)O SC-93699 [0,2,0,0,0,0|1,0,0]=3 399 B8R0.5 CCOC(=O)C[C@@H](C)O SC-08901 [0,2,0,0,0,0|1,0,0]=3 400 B8R0.5 CCOC(=O)C[C@H](C)N SC-A3124 [0,2,0,0,0,0|1,0,0]=3 401 B8R0.5 CCOC(=O)C[N+](=O)[O-] SC-13738 [0,2,0,0,0,0|2,0,0]=4 402 B8R0.5 CCOC(=O)\C=C(\C)N SC-26684 [0,2,0,0,0,0|1,0,1]=4 403 B8R0.5 CCOC(=O)\C=C(\C)N SC-46838 [0,2,0,0,0,0|1,0,1]=4 404 B8R0.19 CCC(=O)CC(=O)OC SC-13642 [0,2,0,0,0,0|1,0,0]=3 405 B8R0.19 CN\C(C)=C/C(=O)OC SC-38289 [0,2,0,0,0,0|1,0,1]=4 406 B8R0.19 COC(=O)CC(=O)CCl SC-22714 [0,2,0,0,0,0|1,0,0]=3 407 B8R0.19 COC(=O)CC(=O)OC SC-25683 [0,2,0,0,0,0|0,1,0]=3 408 B8R0.19 COC(=O)C[C@@H](O)CCl SC-08919 [0,2,0,0,0,0|1,0,0]=3 409 B8R0.24 CNC(=O)CS(C)(=O)=O SC-02350 [0,2,0,0,0,0|1,0,1]=4 410 B8R0.24 COC(=O)CS(=O)(=O)Cl SC-86892 [0,2,0,0,0,0|1,0,1]=4 411 B8R0.1 CCC#CC(=O)OCC SC-70982 [0,2,0,0,0,0|1,0,1]=4 412 B8R0.1 CCOC(=O)CCCN SC-87395 [0,2,0,0,0,0|1,0,0]=3 413 B8R0.1 CCOC(=O)CCCO SC-99324 [0,2,0,0,0,0|1,0,0]=3 414 B8R0.1 CCOC(=O)CN=C=S SC-44680 [0,2,0,0,0,0|1,0,1]=4 415 B8R0.1 CCOC(=O)CN=[N+]=[N-] SC-13270 [0,2,0,0,0,0|2,0,0]=4 416 B8R0.1 CCOC(=O)CNC=O SC-19934 [0,2,0,0,0,0|1,0,1]=4 417 B8R0.1 CCOC(=O)\C=C\CBr SC-17679 [0,2,0,0,0,0|1,0,1]=4 418 B8R0.3 C=CCC(N)C(=O)OC SC-A2429 [0,2,0,0,0,0|1,0,1]=4 419 B8R0.3 CCCC(N)C(=O)OC SC-10383 [0,2,0,0,0,0|1,0,0]=3 420 B8R0.3 CCOC(=O)C(=O)CC SC-46250 [0,2,0,0,0,0|1,0,1]=4 421 B8R0.3 CCOC(=O)C(C)C#N SC-48632 [0,2,0,0,0,0|2,0,0]=4 422 B8R0.3 CCOC(=O)C(Cl)C=O SC-14294 [0,2,0,0,0,0|2,0,0]=4 423 B8R0.3 CCOC(=O)C(N)C#N SC-25385 [0,2,0,0,0,0|2,0,0]=4 424 B8R0.3 CCOC(=O)C(N)CN SC-40715 [0,2,0,0,0,0|2,0,0]=4 425 B8R0.3 CCOC(=O)C(O)CC SC-84233 [0,2,0,0,0,0|1,0,0]=3 426 B8R0.3 CCOC(=O)[C@H](N)CO SC-09860 [0,2,0,0,0,0|2,0,0]=4 427 B8R0.3 COC(=O)C(Br)CCBr SC-22210 [0,2,0,0,0,0|1,0,0]=3 428 B8R0.3 [C@H](N)(CO)C(=O)OCC SC-09861 [0,2,0,0,0,0|2,0,0]=4 429 B8R0.6 C#CCCCC(=O)OC SC-82496 [0,2,0,0,0,0|1,0,0]=3 430 B8R0.6 CCCSCC(=O)OC SC-44744 [0,2,0,0,0,0|0,0,0]=2 431 B8R0.6 COC(=O)CCCCBr SC-66180 [0,2,0,0,0,0|1,0,0]=3 432 B8R0.9 COC(=O)CCC(=O)Cl SC-13608 [0,2,0,0,0,0|1,0,1]=4 433 B8R0.9 COC(=O)CCC(C)=O SC-74448 [0,2,0,0,0,0|1,0,0]=3 434 B8R0.9 COC(=O)CCS(=O)[O-] SC-49113 [0,2,0,0,0,0|1,0,1]=4 435 B8R0.9 COC(=O)NCC(=O)O SC-01599 [0,2,0,0,0,0|2,0,0]=4 436 B8R0.13 COC(=O)C(C)(C)C#N SC-02973 [0,2,0,0,0,0|2,0,0]=4 437 B8R0.13 COC(=O)C(C)(C)C=O SC-A4659 [0,2,0,0,0,0|2,0,0]=4 438 B8R0.13 COC(=O)C(C)(C)CN SC-01782 [0,2,0,0,0,0|2,0,0]=4 439 B8R0.13 COC(=O)C(C)(C)CO SC-52372 [0,2,0,0,0,0|2,0,0]=4 440 B8R0.20 COC(=O)C(CBr)CBr SC-45863 [0,2,0,0,0,0|2,0,0]=4 441 B8R0.20 COC(=O)C(OC)OC SC-52858 [0,2,0,0,0,0|0,1,0]=3 442 B6R1.2 CC1=CCCC1 SC-46849 [1,0,0,1,0,0|2,0,0]=4 443 B6R1.2 CC1=NCCC1 SC-07079 [1,0,0,1,0,0|2,0,0]=4 444 B6R1.2 O=C1C=CCC1 SC-07348 [1,0,0,1,0,0|1,0,1]=4 445 B6R1.2 O=C1C=CCO1 SC-50260 [1,0,0,1,0,0|1,0,1]=4 446 B6R1.2 O=C1CCCN1 SC-85210 [1,0,0,1,0,0|2,0,0]=4 447 B6R1.2 O=C1CCNC1 SC-24328 [1,0,0,1,0,0|1,0,0]=3 448 B6R1.2 O=C1CCNC1 SC-50749 [1,0,0,1,0,0|1,0,0]=3 449 B6R1.2 O=C1CCNN1 SC-21405 [1,0,0,1,0,0|2,0,0]=4 450 B6R1.2 O=C1CCOC1 SC-21867 [1,0,0,1,0,0|0,1,0]=3 451 B6R1.2 O=C1NCCO1 SC-04833 [1,0,0,1,0,0|2,0,0]=4 452 B6R1.3 CSCC1CO1 SC-50532 [1,0,0,1,0,0|0,0,2]=4 453 B6R1.5 NC1CC(=O)C1 SC-50311 [1,0,0,1,0,0|2,0,0]=4 454 B6R1.5 NC1CC(=O)C1 SC-67476 [1,0,0,1,0,0|2,0,0]=4 455 B6R1.11 CC(=O)C1CC1 SC-17503 [1,0,0,1,0,0|1,0,0]=3 456 B6R1.11 NC(=O)C1CC1 SC-92415 [1,0,0,1,0,0|2,0,0]=4 457 B6R1.11 O=C(Cl)C1CC1 SC-19263 [1,0,0,1,0,0|2,0,0]=4 458 B6R1.11 O=C(O)C1CC1 SC-22620 [1,0,0,1,0,0|1,0,0]=3 459 B6R1.11 O=C(O)C1CO1 SC-83949 [1,0,0,1,0,0|0,1,0]=3 460 B6R1.1 C1=CCNCC1 SC-83515 [1,0,0,1,0,0|2,0,0]=4 461 B6R1.1 C1=COCCC1 SC-00342 [1,0,0,1,0,0|1,0,1]=4 462 B6R1.1 C1CCONC1 SC-82296 [1,0,0,1,0,0|2,0,0]=4 463 B6R1.1 C1COCCN1 SC-19184 [1,0,0,1,0,0|1,0,1]=4 464 B6R1.1 C1CSCSC1 SC-46192 [1,0,0,1,0,0|2,0,0]=4 465 B6R1.6 COC1CNC1 SC-13154 [1,0,0,1,0,0|1,0,1]=4 466 B8R1.1 C=CC1COC(=O)O1 SC-15987 [0,1,0,1,0,0|1,0,1]=4 467 B8R1.1 O=C1CC(CO)CN1 SC-66045 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.1 O=C1N[C@@H](CO)CO1 SC-33166 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.4 CC1CC(=O)CCN1 SC-14913 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.4 CC1CC(=O)CCN1 SC-26346 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.4 CC1CC(=O)CCO1 SC-43658 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.4 CC1CCCC(=O)N1 SC-90092 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.4 CC1CCNC(=O)C1 SC-65553 [0,1,0,1,0,0|2,0,0]=4 474 B8R1.4 CC1CNCC(=O)N1 SC-68745 [0,1,0,1,0,0|2,0,0]=4 475 B8R1.4 CN1CCCC(=O)C1 SC-88063 [0,1,0,1,0,0|2,0,0]=4 476 B8R1.4 CN1CCNC(=O)C1 SC-43594 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.4 C[C@H]1COCC(=O)N1 SC-82343 [0,1,0,1,0,0|1,1,0]=4 478 B8R1.4 O=C1CC(O)CCN1 SC-14921 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.4 O=C1CC(O)CCN1 SC-26449 [0,1,0,1,0,0|2,0,0]=4 480 B8R1.4 O=C1CCCC(=O)C1 SC-16085 [0,1,0,1,0,0|2,0,0]=4 481 B8R1.4 O=C1CCCC(=O)O1 SC-43876 [0,1,0,1,0,0|1,0,1]=4 482 B8R1.4 O=C1CCCC(O)C1 SC-52929 [0,1,0,1,0,0|2,0,0]=4 483 B8R1.4 O=C1COCC(=O)O1 SC-26890 [0,1,0,1,0,0|0,1,1]=4 484 B8R1.4 O=C1CSCC(=O)C1 SC-21904 [0,1,0,1,0,0|1,0,1]=4 485 B8R1.18 CC1=CC(=O)OC1O SC-47793 [0,1,0,1,0,0|1,0,1]=4 486 B8R1.18 CC1CC(=O)OC1=O SC-97577 [0,1,0,1,0,0|1,0,1]=4 487 B8R1.18 CC1OC(=O)OC1C SC-21491 [0,1,0,1,0,0|2,0,0]=4 488 B8R1.40 COC(=O)CC1CC1 SC-93890 [0,1,0,1,0,0|1,0,0]=3 489 B8R1.51 CC1(C)CNC(=O)C1 SC-70558 [0,1,0,1,0,0|2,0,0]=4 490 B8R1.83 COC(=O)[C@@H]1O[C@H]1C SC-49429 [0,1,0,1,0,0|0,1,0]=3 491 B8R1.2 COC1=CCCCC1 SC-28269 [0,1,0,1,0,0|2,0,0]=4 492 B8R1.3 CC1=CCC(=O)CC1 SC-25236 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.3 CC1=CCC(=O)CC1 SC-83877 [0,1,0,1,0,0|2,0,0]=4 494 B8R1.3 CN1CCC(=O)CC1 SC-01124 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.3 CN1CCC(=O)CC1 SC-90211 [0,1,0,1,0,0|2,0,0]=4 496 B8R1.3 NC1CCC(=O)CC1 SC-51421 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.3 NC1CCC(=O)CC1 SC-94303 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.3 N[C@H]1CCC(=O)NC1 SC-A3084 [0,1,0,1,0,0|2,0,0]=4 499 B8R1.3 O=C1CCC(O)CC1 SC-22101 [0,1,0,1,0,0|2,0,0]=4 500 B8R1.3 O=C1CCC(O)CN1 SC-14920 [0,1,0,1,0,0|2,0,0]=4 501 B8R1.3 O=C1COC(=O)CN1 SC-96522 [0,1,0,1,0,0|1,0,1]=4 502 B8R1.3 O=C1COC(=O)CO1 SC-86894 [0,1,0,1,0,0|0,1,1]=4 503 B8R1.5 CC1CCCCC1=O SC-20428 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.5 C[C@H]1NCCNC1=O SC-05130 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.5 NC1CCCCC1=O SC-22252 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.5 NC1CCCCC1=O SC-84826 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.5 NC1CCCNC1=O SC-14514 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.5 N[C@@H]1CCCNC1=O SC-48796 [0,1,0,1,0,0|2,0,0]=4 509 B8R1.5 N[C@H]1CCCNC1=O SC-27263 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.5 O=C1CCCCC1=O SC-46435 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.5 O=C1CCCCC1Br SC-86496 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.5 O=C1CCCCC1Cl SC-20977 [0,1,0,1,0,0|2,0,0]=4 513 B8R1.5 O=C1CCCCC1O SC-49144 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.5 O=C1NCCCC1O SC-14922 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.22 O=C1C=CCCCC1 SC-99582 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.22 O=C1CCCNCC1 SC-20974 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.22 O=C1CCCNCC1 SC-20993 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.22 O=C1CCNCCN1 SC-05951 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.22 O=C1CNCCCN1 SC-21981 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.38 COC(=O)C1CNC1 SC-12674 [0,1,0,1,0,0|1,0,0]=3 521 B8R1.38 COC(=O)C1CNC1 SC-12778 [0,1,0,1,0,0|1,0,0]=3 522 B8R1.50 CN1C(=O)CCC1O SC-88414 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.50 CN1CCC(N)C1=O SC-25143 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.37 CCOC(=N)C1CC1 SC-67732 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.37 CCOC(=O)C1CC1 SC-27163 [0,1,0,1,0,0|1,0,0]=3 526 B8R1.37 CCOC(=O)C1CO1 SC-74138 [0,1,0,1,0,0|0,1,0]=3 527 B8R1.54 CC(Br)C(=O)C1CC1 SC-B7707 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.39 COC(=O)C1(C)CC1 SC-94041 [0,1,0,1,0,0|1,0,0]=3 529 B8R1.39 COC(=O)C1(C)CO1 SC-90627 [0,1,0,1,0,0|0,1,0]=3 530 B8R1.39 COC(=O)C1(N)CC1 SC-27643 [0,1,0,1,0,0|1,0,0]=3 531 B8R1.39 COC(=O)C1(N)CC1 SC-47489 [0,1,0,1,0,0|1,0,0]=3 532 B8R1.72 O=S1(=O)CCCCO1 SC-15335 [0,1,0,1,0,0|2,0,0]=4