0 B6R0.3 C=CC(C)C(=O)O SC-65769 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.3 C=C[C@H](N)C(=O)O SC-99216 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.3 CC(C#N)C(=O)O SC-65741 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CC(C)C(O)CN SC-34918 [0,0,0,0,0,0|2,1,1]=4 4 B6R0.3 CC(C)C(O)CN SC-A3426 [0,0,0,0,0,0|2,1,1]=4 5 B6R0.3 CC(C)[C@@H](N)CO SC-04448 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.3 CC(C)[C@H](N)CO SC-02242 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.3 CC(CBr)C(=O)O SC-53016 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.3 CC(CN)C(=O)O SC-10095 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.3 CC(CN)C(=O)O SC-16443 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.3 CCC(F)C(=O)O SC-82839 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.3 CCC(N)C(=O)O SC-25570 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.3 CCC(N)C(N)=O SC-67619 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.3 CCC(S)C(=O)O SC-90417 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.3 CCN(O)C(C)=O SC-69302 [0,0,0,0,0,0|1,1,0]=2 15 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [0,0,0,0,0,0|1,1,0]=2 18 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.3 CC[C@H](N)C(N)=O SC-15825 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.3 COC(=O)C(=O)Cl SC-27409 [0,0,0,0,0,0|2,1,1]=4 22 B6R0.3 COC(=O)C(C)=O SC-15233 [0,0,0,0,0,0|1,1,1]=3 23 B6R0.3 COC(C)C(=O)O SC-49776 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.3 COC(C)[C@@H](C)N SC-A2593 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.3 CON(C)C(C)=O SC-20924 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.3 C[C@@H](CN)C(=O)O SC-69436 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.3 C[C@H](CN)C(=O)O SC-90232 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.3 C[C@H](CN)C(=O)O SC-A1203 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.3 N#CC(N)C(N)=O SC-12334 [0,0,0,0,0,0|3,0,1]=4 32 B6R0.3 NC(=O)[C@@H](N)CO SC-09855 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.3 NC(CO)C(=O)O SC-09828 [0,0,0,0,0,0|3,0,0]=3 34 B6R0.3 NC(CS)C(=O)O SC-16429 [0,0,0,0,0,0|3,0,0]=3 35 B6R0.3 NCC(N)C(=O)O SC-12518 [0,0,0,0,0,0|3,0,0]=3 36 B6R0.3 NCC(N)C(=O)O SC-26817 [0,0,0,0,0,0|3,0,0]=3 37 B6R0.3 NCC(O)C(=O)O SC-10335 [0,0,0,0,0,0|2,1,0]=3 38 B6R0.3 NC[C@@H](N)C(=O)O SC-10203 [0,0,0,0,0,0|3,0,0]=3 39 B6R0.3 N[C@@H](CO)C(=O)O SC-09827 [0,0,0,0,0,0|3,0,0]=3 40 B6R0.3 N[C@@H](CS)C(=O)O SC-45550 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.3 N[C@H](CO)C(=O)O SC-09826 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.3 O=C(Cl)C(Br)CBr SC-76209 [0,0,0,0,0,0|3,0,0]=3 43 B6R0.3 O=C(O)C(=O)CBr SC-15238 [0,0,0,0,0,0|2,1,1]=4 44 B6R0.3 O=C(O)C(Br)CBr SC-26969 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.3 O=C(O)C(O)CCl SC-83865 [0,0,0,0,0,0|2,1,0]=3 46 B6R0.3 [C@@H](N)(CC)C(N)=O SC-49088 [0,0,0,0,0,0|2,0,0]=2 47 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09427 [0,0,0,0,0,0|3,0,0]=3 48 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09430 [0,0,0,0,0,0|3,0,0]=3 49 B6R0.3 [C@H](N)(CS)C(=O)O SC-09426 [0,0,0,0,0,0|3,0,0]=3 50 B5R0.1 C#CCC(=O)O SC-40344 [1,0,0,0,0,0|1,0,2]=4 51 B5R0.1 C=C(C)CCBr SC-26305 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.1 C=C(C)OCC SC-18086 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.1 C=CCC(=O)O SC-49093 [1,0,0,0,0,0|1,0,2]=4 54 B5R0.1 C=COC(C)=O SC-79059 [1,0,0,0,0,0|1,0,2]=4 55 B5R0.1 CC#CC(=O)O SC-76460 [1,0,0,0,0,0|1,0,2]=4 56 B5R0.1 CC(=O)CC#N SC-26510 [1,0,0,0,0,0|1,0,1]=3 57 B5R0.1 CC(=O)CCCl SC-21586 [1,0,0,0,0,0|1,0,0]=2 58 B5R0.1 CC(=O)CCO SC-65678 [1,0,0,0,0,0|1,0,0]=2 59 B5R0.1 CC(=O)OCBr SC-44237 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.1 CC(=O)\C=N/O SC-89466 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.1 CC(=O)\C=N\O SC-68143 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.1 CC(C)=CCBr SC-13678 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.1 CC(C)=CCN SC-51952 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.1 CC(C)=CCO SC-77150 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.1 CC(N)CCO SC-82589 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.1 CCCB(O)O SC-47544 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.1 CCCC(=N)N SC-19347 [1,0,0,0,0,0|2,0,0]=3 68 B5R0.1 CCCC(=O)Cl SC-18924 [1,0,0,0,0,0|1,0,0]=2 69 B5R0.1 CCCC(=O)[O-] SC-15718 [1,0,0,0,0,0|1,0,0]=2 70 B5R0.1 CCCC(C)N SC-53929 [1,0,0,0,0,0|1,0,1]=3 71 B5R0.1 CCCC(C)O SC-03320 [1,0,0,0,0,0|0,0,2]=3 72 B5R0.1 CCCC(N)=O SC-46377 [1,0,0,0,0,0|1,0,0]=2 73 B5R0.1 CCN=C(N)N SC-15057 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.1 CCNC(C)C SC-84122 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.1 CCOC(=S)[S-] SC-62877 [1,0,0,0,0,0|2,1,0]=4 76 B5R0.1 CCOC(C)=N SC-02547 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.1 CCOC(C)=N SC-A3540 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.1 CCOC(N)=O SC-16133 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.1 CCSC(=N)N SC-20585 [1,0,0,0,0,0|3,0,0]=4 80 B5R0.1 CCSC(=N)N SC-53442 [1,0,0,0,0,0|3,0,0]=4 81 B5R0.1 CN(C)CCBr SC-21756 [1,0,0,0,0,0|3,0,0]=4 82 B5R0.1 CN(C)CCBr SC-27529 [1,0,0,0,0,0|3,0,0]=4 83 B5R0.1 CN(C)CCCl SC-18600 [1,0,0,0,0,0|3,0,0]=4 84 B5R0.1 CN(C)CCCl SC-47184 [1,0,0,0,0,0|3,0,0]=4 85 B5R0.1 CN(C)CCO SC-87330 [1,0,0,0,0,0|3,0,0]=4 86 B5R0.1 CNCC(=O)O SC-10425 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.1 CNCC(N)=O SC-10429 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.1 COCC(=N)N SC-41213 [1,0,0,0,0,0|3,0,0]=4 89 B5R0.1 COCC(=N)N SC-73218 [1,0,0,0,0,0|3,0,0]=4 90 B5R0.1 COCC(=O)Cl SC-27381 [1,0,0,0,0,0|2,0,0]=3 91 B5R0.1 COCC(C)N SC-48787 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.1 COCC(C)O SC-00293 [1,0,0,0,0,0|1,0,2]=4 93 B5R0.1 COC[C@@H](C)N SC-47724 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.1 COC[C@@H](C)O SC-04836 [1,0,0,0,0,0|1,0,2]=4 95 B5R0.1 CS(=O)CCN SC-89327 [1,0,0,0,0,0|2,0,0]=3 96 B5R0.1 CSCS(C)=O SC-87090 [1,0,0,0,0,0|2,0,0]=3 97 B5R0.1 CSNC(C)=O SC-28667 [1,0,0,0,0,0|2,0,0]=3 98 B5R0.1 C[C@@H](N)CCO SC-48293 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.1 C[C@@H](O)CCO SC-05919 [1,0,0,0,0,0|1,0,2]=4 100 B5R0.1 C[C@H](O)CCO SC-02840 [1,0,0,0,0,0|1,0,2]=4 101 B5R0.1 C\C=C/C(=O)O SC-25924 [1,0,0,0,0,0|1,0,2]=4 102 B5R0.1 C\C=C/C(C)=O SC-48085 [1,0,0,0,0,0|0,0,2]=3 103 B5R0.1 C\C=C\C(=O)Cl SC-16256 [1,0,0,0,0,0|1,0,2]=4 104 B5R0.1 N#CCC(=O)O SC-18648 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.1 N#CCC(N)=O SC-26759 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.1 NCCC(=O)O SC-10014 [1,0,0,0,0,0|2,0,0]=3 107 B5R0.1 NCCC(N)=O SC-48688 [1,0,0,0,0,0|2,0,0]=3 108 B5R0.1 NCCC(N)=O SC-84499 [1,0,0,0,0,0|2,0,0]=3 109 B5R0.1 O=C(Cl)CCCl SC-16310 [1,0,0,0,0,0|2,0,0]=3 110 B5R0.1 O=C(O)CCBr SC-18441 [1,0,0,0,0,0|2,0,0]=3 111 B5R0.1 O=C(O)CCS SC-22642 [1,0,0,0,0,0|2,0,0]=3 112 B5R0.3 C#CC(O)CC SC-68723 [1,0,0,0,0,0|0,1,2]=4 113 B5R0.3 C=CC(Cl)CCl SC-A3373 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.3 C=CC(O)CC SC-93539 [1,0,0,0,0,0|0,1,1]=3 115 B5R0.3 C=C[C@H](N)CO SC-88199 [1,0,0,0,0,0|2,0,1]=4 116 B5R0.3 CCC(C)CO SC-08990 [1,0,0,0,0,0|1,0,2]=4 117 B5R0.3 CCC(N)CC SC-81736 [1,0,0,0,0,0|1,0,1]=3 118 B5R0.3 CCC(N)CO SC-21072 [1,0,0,0,0,0|1,0,2]=4 119 B5R0.3 CCC(O)CC SC-62307 [1,0,0,0,0,0|0,1,1]=3 120 B5R0.3 CC[PH](=O)CC SC-96905 [1,0,0,0,0,0|1,1,1]=4 121 B5R0.3 COC(C)CN SC-A4864 [1,0,0,0,0,0|3,0,0]=4 122 B5R0.3 CO[C@H](C)CO SC-71357 [1,0,0,0,0,0|3,0,0]=4 123 B5R0.3 O=CC(Br)C=O SC-24696 [1,0,0,0,0,0|2,0,1]=4 124 B5R0.3 O=CC(Cl)C=O SC-43728 [1,0,0,0,0,0|2,0,1]=4 125 B5R0.3 O=CC(O)CO SC-04830 [1,0,0,0,0,0|1,1,0]=3 126 B5R0.3 [C@H](N)(CC)CO SC-08958 [1,0,0,0,0,0|1,0,2]=4 127 B5R0.5 C=C(C)C(N)=O SC-74591 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.5 CC(=O)C(=O)O SC-17382 [1,0,0,0,0,0|1,1,1]=4 129 B5R0.5 CC(=O)C(=O)[O-] SC-17414 [1,0,0,0,0,0|1,1,1]=4 130 B5R0.5 CC(=O)C(C)C SC-18478 [1,0,0,0,0,0|1,0,0]=2 131 B5R0.5 CC(=O)C(C)Cl SC-46981 [1,0,0,0,0,0|1,0,0]=2 132 B5R0.5 CC(=O)C(C)S SC-17208 [1,0,0,0,0,0|0,0,0]=1 133 B5R0.5 CC(=O)C(F)F SC-99156 [1,0,0,0,0,0|2,0,0]=3 134 B5R0.5 CC(=O)N(C)C SC-54108 [1,0,0,0,0,0|2,0,0]=3 135 B5R0.5 CC(Br)C(N)=O SC-97497 [1,0,0,0,0,0|2,0,0]=3 136 B5R0.5 CC(C)C(=N)N SC-13079 [1,0,0,0,0,0|3,0,0]=4 137 B5R0.5 CC(C)N(C)C SC-90248 [1,0,0,0,0,0|3,0,0]=4 138 B5R0.5 CC(F)C(=O)O SC-83429 [1,0,0,0,0,0|2,0,0]=3 139 B5R0.5 CC(N)C(=O)O SC-09271 [1,0,0,0,0,0|2,0,0]=3 140 B5R0.5 CC(N)C(N)=O SC-94219 [1,0,0,0,0,0|2,0,0]=3 141 B5R0.5 CC(O)C(=O)[O-] SC-19308 [1,0,0,0,0,0|1,1,0]=3 142 B5R0.5 CC(O)C(=O)[O-] SC-25623 [1,0,0,0,0,0|1,1,0]=3 143 B5R0.5 CC(O)C(=O)[O-] SC-75139 [1,0,0,0,0,0|1,1,0]=3 144 B5R0.5 CC(O)C(C)O SC-08971 [1,0,0,0,0,0|0,1,2]=4 145 B5R0.5 CC(O)C(C)O SC-08972 [1,0,0,0,0,0|0,1,2]=4 146 B5R0.5 CC(O)C(C)O SC-81338 [1,0,0,0,0,0|0,1,2]=4 147 B5R0.5 CC(S)C(=O)O SC-74563 [1,0,0,0,0,0|1,0,0]=2 148 B5R0.5 CN(C)C(=O)Cl SC-15201 [1,0,0,0,0,0|3,0,0]=4 149 B5R0.5 C[C@@H](Br)C(=O)O SC-08843 [1,0,0,0,0,0|2,0,0]=3 150 B5R0.5 C[C@@H](Cl)C(=O)O SC-06610 [1,0,0,0,0,0|2,0,0]=3 151 B5R0.5 C[C@@H](N)C(=O)O SC-09270 [1,0,0,0,0,0|2,0,0]=3 152 B5R0.5 C[C@@H](N)C(N)=O SC-09289 [1,0,0,0,0,0|2,0,0]=3 153 B5R0.5 C[C@@H](O)C(N)=O SC-92873 [1,0,0,0,0,0|1,1,0]=3 154 B5R0.5 C[C@H](Cl)C(=O)O SC-03218 [1,0,0,0,0,0|2,0,0]=3 155 B5R0.5 C[C@H](N)C(=O)O SC-09272 [1,0,0,0,0,0|2,0,0]=3 156 B5R0.5 C[C@H](N)C(N)=O SC-03542 [1,0,0,0,0,0|2,0,0]=3 157 B5R0.5 C[C@H](O)C(N)=O SC-73228 [1,0,0,0,0,0|1,1,0]=3 158 B5R0.5 O=C(O)C(Cl)Cl SC-18205 [1,0,0,0,0,0|3,0,0]=4 159 B5R0.5 O=C(O)C(F)Br SC-49620 [1,0,0,0,0,0|3,0,0]=4 160 B5R0.5 O=C(O)C(F)F SC-25529 [1,0,0,0,0,0|3,0,0]=4 161 B5R0.5 O=C([O-])C(Cl)Cl SC-15953 [1,0,0,0,0,0|3,0,0]=4 162 B5R0.5 [2H]C(=O)N(C)C SC-97589 [1,0,0,0,0,0|3,0,0]=4 163 B5R0.5 [C@@H](C)(Br)C(=O)O SC-03475 [1,0,0,0,0,0|2,0,0]=3 164 B7R0.5 C#CC[C@@H](N)C(=O)O SC-A2980 [0,1,0,0,0,0|2,0,1]=4 165 B7R0.5 C=CCC(N)C(=O)O SC-10030 [0,1,0,0,0,0|2,0,1]=4 166 B7R0.5 C=CCC(N)C(=O)O SC-10031 [0,1,0,0,0,0|2,0,1]=4 167 B7R0.5 C=CCC(N)C(=O)O SC-10032 [0,1,0,0,0,0|2,0,1]=4 168 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [0,1,0,0,0,0|2,0,1]=4 169 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.5 CCCC(Br)C(=O)O SC-27020 [0,1,0,0,0,0|2,0,0]=3 171 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [0,1,0,0,0,0|2,0,0]=3 172 B7R0.5 CCOC(=O)C(=O)Cl SC-26882 [0,1,0,0,0,0|1,1,1]=4 173 B7R0.5 CCOC(=O)C(=O)O SC-26569 [0,1,0,0,0,0|1,1,1]=4 174 B7R0.5 CCOC(=O)C(=O)[O-] SC-73549 [0,1,0,0,0,0|1,1,1]=4 175 B7R0.5 CCOC(=O)C(C)=O SC-15232 [0,1,0,0,0,0|0,1,1]=3 176 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [0,1,0,0,0,0|2,0,0]=3 177 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [0,1,0,0,0,0|2,0,0]=3 178 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [0,1,0,0,0,0|2,0,0]=3 179 B7R0.5 NC(CCO)C(=O)O SC-10290 [0,1,0,0,0,0|2,0,0]=3 180 B7R0.5 NCCC(N)C(=O)O SC-10146 [0,1,0,0,0,0|2,0,0]=3 181 B7R0.5 NCCC(N)C(=O)O SC-20723 [0,1,0,0,0,0|2,0,0]=3 182 B7R0.5 NCCC(N)C(=O)O SC-23452 [0,1,0,0,0,0|2,0,0]=3 183 B7R0.5 NCCC(N)C(=O)O SC-25055 [0,1,0,0,0,0|2,0,0]=3 184 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [0,1,0,0,0,0|2,0,0]=3 185 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [0,1,0,0,0,0|2,0,0]=3 186 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [0,1,0,0,0,0|2,0,0]=3 187 B7R0.10 C=C(CO)C(=O)OC SC-53992 [0,1,0,0,0,0|2,0,1]=4 188 B7R0.10 CCC(Br)C(Br)CC SC-94097 [0,1,0,0,0,0|2,0,1]=4 189 B7R0.10 CC[C@@H](O)C(=O)OC SC-49455 [0,1,0,0,0,0|0,1,0]=2 190 B7R0.10 CC[C@H](C)[C@H](N)CO SC-08984 [0,1,0,0,0,0|2,0,1]=4 191 B7R0.10 CC[C@H](N)C(=O)OC SC-33322 [0,1,0,0,0,0|1,0,0]=2 192 B7R0.10 CC[C@H](N)C(=O)OC SC-91370 [0,1,0,0,0,0|1,0,0]=2 193 B7R0.10 CNC(C)C(=O)OC SC-82127 [0,1,0,0,0,0|2,0,0]=3 194 B7R0.10 CN[C@@H](C)C(=O)OC SC-84501 [0,1,0,0,0,0|2,0,0]=3 195 B7R0.10 COC(=O)C(=O)CBr SC-15244 [0,1,0,0,0,0|1,1,1]=4 196 B7R0.10 COC(=O)C(Br)CO SC-87315 [0,1,0,0,0,0|2,0,0]=3 197 B7R0.10 COC(=O)C(Br)SC SC-83274 [0,1,0,0,0,0|2,0,0]=3 198 B7R0.10 COC(=O)C(C)CN SC-53925 [0,1,0,0,0,0|2,0,0]=3 199 B7R0.10 COC(=O)C(C)CO SC-08906 [0,1,0,0,0,0|2,0,0]=3 200 B7R0.10 COC(=O)C(C)CO SC-08907 [0,1,0,0,0,0|2,0,0]=3 201 B7R0.10 COC(=O)C(C)OC SC-92649 [0,1,0,0,0,0|2,0,0]=3 202 B7R0.10 COC(=O)C(Cl)C=O SC-53173 [0,1,0,0,0,0|2,0,1]=4 203 B7R0.10 COC(=O)C(Cl)CCl SC-48264 [0,1,0,0,0,0|2,0,0]=3 204 B7R0.10 COC(=O)C(N)CO SC-09862 [0,1,0,0,0,0|2,0,0]=3 205 B7R0.10 COC(=O)C(N)CO SC-51728 [0,1,0,0,0,0|2,0,0]=3 206 B7R0.10 COC(=O)[C@@H](C)CBr SC-08853 [0,1,0,0,0,0|2,0,0]=3 207 B7R0.10 COC(=O)[C@@H](N)CS SC-22400 [0,1,0,0,0,0|2,0,0]=3 208 B7R0.10 COC(=O)[C@@H](O)CO SC-44674 [0,1,0,0,0,0|1,1,0]=3 209 B7R0.10 COC(=O)[C@H](N)CCl SC-44813 [0,1,0,0,0,0|2,0,0]=3 210 B7R0.10 COC(=O)[C@H](N)CO SC-21448 [0,1,0,0,0,0|2,0,0]=3 211 B7R0.10 COC(=O)[C@H](N)CS SC-95830 [0,1,0,0,0,0|2,0,0]=3 212 B7R0.10 CON(C)C(=O)CCl SC-21890 [0,1,0,0,0,0|3,0,0]=4 213 B7R0.10 CON(C)C(=O)CF SC-14324 [0,1,0,0,0,0|3,0,0]=4 214 B7R0.10 C\C=C(/Br)C(=O)OC SC-89362 [0,1,0,0,0,0|1,0,2]=4 215 B7R0.13 CC(C)(CF)C(=O)O SC-91781 [0,1,0,0,0,0|3,0,0]=4 216 B7R0.13 CCC(F)(F)C(=O)O SC-06365 [0,1,0,0,0,0|2,0,0]=3 217 B7R0.13 CC[C@](C)(N)C(=O)O SC-85117 [0,1,0,0,0,0|2,0,0]=3 218 B7R0.13 COC(C)(C)C(=O)O SC-49777 [0,1,0,0,0,0|3,0,0]=4 219 B7R0.13 C[C@@](N)(CS)C(=O)O SC-48129 [0,1,0,0,0,0|3,0,0]=4 220 B7R0.15 CCN(CC)C(=O)Cl SC-74686 [0,1,0,0,0,0|3,0,0]=4 221 B7R0.15 CNC(CO)C(=O)O SC-26706 [0,1,0,0,0,0|2,1,0]=4 222 B7R0.15 COC(OC)C(C)=O SC-05972 [0,1,0,0,0,0|1,1,0]=3 223 B7R0.15 O=C(O)C(CBr)CBr SC-16780 [0,1,0,0,0,0|3,0,0]=4 224 B7R0.15 O=C(O)C(CF)CF SC-41163 [0,1,0,0,0,0|3,0,0]=4 225 B7R0.15 [C@@H](CO)(NC)C(=O)O SC-20914 [0,1,0,0,0,0|2,1,0]=4 226 B7R0.16 CC(C)C(=O)C(=O)O SC-27422 [0,1,0,0,0,0|1,1,1]=4 227 B7R0.16 CC(C)C(=O)C(=O)[O-] SC-13686 [0,1,0,0,0,0|1,1,1]=4 228 B7R0.16 CC(C)C(Br)C(=O)O SC-26681 [0,1,0,0,0,0|2,0,0]=3 229 B7R0.16 CC(C)C(N)C(=O)O SC-09983 [0,1,0,0,0,0|2,0,0]=3 230 B7R0.16 CC(C)C(N)C(=O)O SC-09984 [0,1,0,0,0,0|2,0,0]=3 231 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [0,1,0,0,0,0|2,0,0]=3 232 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [0,1,0,0,0,0|1,1,0]=3 233 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [0,1,0,0,0,0|1,1,0]=3 234 B7R0.16 CC(C)[C@H](N)C(N)=O SC-19666 [0,1,0,0,0,0|2,0,0]=3 235 B7R0.16 CC(O)C(C)[N+](=O)[O-] SC-18769 [0,1,0,0,0,0|3,0,0]=4 236 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [0,1,0,0,0,0|2,0,0]=3 237 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [0,1,0,0,0,0|2,0,0]=3 238 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [0,1,0,0,0,0|2,0,0]=3 239 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [0,1,0,0,0,0|2,0,0]=3 240 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [0,1,0,0,0,0|2,0,0]=3 241 B7R1.4 C=C1CCOC1=O SC-19579 [0,0,0,1,0,0|2,0,1]=4 242 B7R1.4 CC1=CCCC1=O SC-15856 [0,0,0,1,0,0|1,0,2]=4 243 B7R1.4 CC1CCCC1=O SC-89605 [0,0,0,1,0,0|1,0,0]=2 244 B7R1.4 CC1CCNC1=O SC-21672 [0,0,0,1,0,0|2,0,0]=3 245 B7R1.4 CC1CCOC1=O SC-20996 [0,0,0,1,0,0|2,0,0]=3 246 B7R1.4 CN1CCNC1=O SC-89793 [0,0,0,1,0,0|3,0,0]=4 247 B7R1.4 NC1CCCC1O SC-21764 [0,0,0,1,0,0|1,0,2]=4 248 B7R1.4 NC1CCNC1=O SC-13910 [0,0,0,1,0,0|2,0,0]=3 249 B7R1.4 NC1CCNC1=O SC-53072 [0,0,0,1,0,0|2,0,0]=3 250 B7R1.4 N[C@@H]1CCNC1=O SC-65959 [0,0,0,1,0,0|2,0,0]=3 251 B7R1.4 N[C@@H]1CCNC1=O SC-A2225 [0,0,0,1,0,0|2,0,0]=3 252 B7R1.4 N[C@@H]1CCOC1=O SC-28003 [0,0,0,1,0,0|2,0,0]=3 253 B7R1.4 N[C@H]1CCC[C@@H]1O SC-27686 [0,0,0,1,0,0|1,0,2]=4 254 B7R1.4 N[C@H]1CCC[C@H]1N SC-83490 [0,0,0,1,0,0|2,0,1]=4 255 B7R1.4 N[C@H]1CCNC1=O SC-96457 [0,0,0,1,0,0|2,0,0]=3 256 B7R1.4 N[C@H]1CCOC1=O SC-01385 [0,0,0,1,0,0|2,0,0]=3 257 B7R1.4 N[C@H]1CCOC1=O SC-28113 [0,0,0,1,0,0|2,0,0]=3 258 B7R1.4 O=C1CCCC1Cl SC-21538 [0,0,0,1,0,0|1,0,0]=2 259 B7R1.4 O=C1NCCC1O SC-26159 [0,0,0,1,0,0|1,1,0]=3 260 B7R1.4 O=C1NCC[C@H]1O SC-87526 [0,0,0,1,0,0|1,1,0]=3 261 B7R1.4 O=C1OCCC1Br SC-15437 [0,0,0,1,0,0|2,0,0]=3 262 B7R1.4 O[C@@H]1CCC[C@H]1O SC-A2623 [0,0,0,1,0,0|0,1,2]=4 263 B7R1.4 [C@@H]1(N)CCC[C@H]1O SC-16146 [0,0,0,1,0,0|1,0,2]=4 264 B7R1.4 [C@H]1(N)CCC[C@H]1O SC-25435 [0,0,0,1,0,0|1,0,2]=4 265 B7R1.12 O=C(O)C1CC1F SC-85228 [0,0,0,1,0,0|3,0,0]=4 266 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [0,0,0,1,0,0|3,0,0]=4 267 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [0,0,0,1,0,0|3,0,0]=4 268 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [0,0,0,1,0,0|3,0,0]=4 269 B7R1.18 CC(=O)C1CCC1 SC-74316 [0,0,0,1,0,0|1,0,0]=2 270 B7R1.18 CC(O)C1CCC1 SC-22088 [0,0,0,1,0,0|1,0,2]=4 271 B7R1.18 NC(=O)[C@H]1CCN1 SC-42709 [0,0,0,1,0,0|2,0,0]=3 272 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [0,0,0,1,0,0|2,0,0]=3 273 B7R1.18 O=C(O)C1CCC1 SC-17776 [0,0,0,1,0,0|2,0,0]=3 274 B7R1.18 O=C(O)C1CCO1 SC-22549 [0,0,0,1,0,0|1,1,0]=3 275 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [0,0,0,1,0,0|2,0,0]=3 276 B7R1.19 CC(=O)C1(F)CC1 SC-83098 [0,0,0,1,0,0|1,0,0]=2 277 B7R1.19 CC1(C(=O)O)CC1 SC-21186 [0,0,0,1,0,0|2,0,0]=3 278 B7R1.19 CC1(C(=O)O)CO1 SC-A2140 [0,0,0,1,0,0|3,0,0]=4 279 B7R1.19 NC1(C(=O)O)CC1 SC-11059 [0,0,0,1,0,0|2,0,0]=3 280 B7R1.19 NC1(C(=O)O)CC1 SC-21274 [0,0,0,1,0,0|2,0,0]=3 281 B7R1.19 O=C(O)C1(F)CC1 SC-49577 [0,0,0,1,0,0|2,0,0]=3 282 B7R1.19 O=C(O)C1(O)CC1 SC-19780 [0,0,0,1,0,0|1,1,0]=3 283 B7R0.2 CCC(C)CC(=O)O SC-19132 [0,0,0,0,0,1|2,0,0]=3 284 B7R0.2 CCC(N)CC(=O)O SC-59260 [0,0,0,0,0,1|2,0,0]=3 285 B7R0.2 CCC(O)CC(C)=O SC-92943 [0,0,0,0,0,1|0,1,0]=2 286 B7R0.2 NCC(O)CC(=O)O SC-50844 [0,0,0,0,0,1|2,1,0]=4 287 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [0,0,0,0,0,1|3,0,0]=4 288 B4R0.1 C=C(C)C=O SC-83411 [2,0,0,0,0,0|1,0,1]=4 289 B4R0.1 C=C(C)CBr SC-50158 [2,0,0,0,0,0|2,0,0]=4 290 B4R0.1 C=C(C)CF SC-89300 [2,0,0,0,0,0|2,0,0]=4 291 B4R0.1 C=C(C)CN SC-43404 [2,0,0,0,0,0|2,0,0]=4 292 B4R0.1 C=C(C)CN SC-84159 [2,0,0,0,0,0|2,0,0]=4 293 B4R0.1 C=CC(C)O SC-43661 [2,0,0,0,0,0|0,1,1]=4 294 B4R0.1 C=C[C@H](C)N SC-67439 [2,0,0,0,0,0|1,0,1]=4 295 B4R0.1 CC(=O)C#N SC-51001 [2,0,0,0,0,0|1,0,1]=4 296 B4R0.1 CC(=O)C=O SC-74380 [2,0,0,0,0,0|0,1,1]=4 297 B4R0.1 CC(=O)CBr SC-20936 [2,0,0,0,0,0|1,0,0]=3 298 B4R0.1 CC(=O)CN SC-28532 [2,0,0,0,0,0|1,0,0]=3 299 B4R0.1 CC(=O)CN SC-89750 [2,0,0,0,0,0|1,0,0]=3 300 B4R0.1 CC(=O)NO SC-18498 [2,0,0,0,0,0|1,1,0]=4 301 B4R0.1 CC(Br)CO SC-A3571 [2,0,0,0,0,0|2,0,0]=4 302 B4R0.1 CC(N)CO SC-18397 [2,0,0,0,0,0|2,0,0]=4 303 B4R0.1 CC(S)CS SC-A2768 [2,0,0,0,0,0|1,0,0]=3 304 B4R0.1 CCC(=N)N SC-53846 [2,0,0,0,0,0|2,0,0]=4 305 B4R0.1 CCC(=O)O SC-22887 [2,0,0,0,0,0|1,0,0]=3 306 B4R0.1 CCC(=O)[O-] SC-47286 [2,0,0,0,0,0|1,0,0]=3 307 B4R0.1 CCC(C)O SC-01234 [2,0,0,0,0,0|0,1,0]=3 308 B4R0.1 CCC(N)=O SC-18213 [2,0,0,0,0,0|1,0,0]=3 309 B4R0.1 CCS(=O)[O-] SC-20356 [2,0,0,0,0,0|1,1,0]=4 310 B4R0.1 CC[C@H](C)N SC-81828 [2,0,0,0,0,0|1,0,0]=3 311 B4R0.1 CC[C@H](C)O SC-04418 [2,0,0,0,0,0|0,1,0]=3 312 B4R0.1 CNC(C)C SC-04732 [2,0,0,0,0,0|2,0,0]=4 313 B4R0.1 CNC(N)=O SC-15862 [2,0,0,0,0,0|2,0,0]=4 314 B4R0.1 C[C@@H](N)CN SC-08946 [2,0,0,0,0,0|2,0,0]=4 315 B4R0.1 C[C@@H](N)CO SC-03772 [2,0,0,0,0,0|2,0,0]=4 316 B4R0.1 C[C@@H](O)CN SC-03087 [2,0,0,0,0,0|1,1,0]=4 317 B4R0.1 C[C@@H](O)CO SC-04433 [2,0,0,0,0,0|1,1,0]=4 318 B4R0.1 C[C@H](Cl)CO SC-98590 [2,0,0,0,0,0|2,0,0]=4 319 B4R0.1 C[C@H](N)CN SC-08947 [2,0,0,0,0,0|2,0,0]=4 320 B4R0.1 C[C@H](N)CO SC-03066 [2,0,0,0,0,0|2,0,0]=4 321 B4R0.1 C[C@H](O)CCl SC-99597 [2,0,0,0,0,0|1,1,0]=4 322 B4R0.1 C[C@H](O)CN SC-03088 [2,0,0,0,0,0|1,1,0]=4 323 B4R0.1 C[C@H](O)CO SC-04434 [2,0,0,0,0,0|1,1,0]=4 324 B4R0.1 C\C=C(\C)Br SC-91379 [2,0,0,0,0,0|1,0,1]=4 325 B4R0.1 NC(=O)CBr SC-17752 [2,0,0,0,0,0|2,0,0]=4 326 B4R0.1 NC(=O)CI SC-18913 [2,0,0,0,0,0|2,0,0]=4 327 B4R0.1 NCC(=O)O SC-26884 [2,0,0,0,0,0|2,0,0]=4 328 B4R0.1 NCC(N)=O SC-09567 [2,0,0,0,0,0|2,0,0]=4 329 B4R0.1 NCC(N)=O SC-18427 [2,0,0,0,0,0|2,0,0]=4 330 B4R0.1 O=C(Br)CBr SC-18428 [2,0,0,0,0,0|2,0,0]=4 331 B4R0.1 O=C(Cl)CBr SC-49267 [2,0,0,0,0,0|2,0,0]=4 332 B4R0.1 O=C(O)CBr SC-18211 [2,0,0,0,0,0|2,0,0]=4 333 B4R0.1 O=C(O)CO SC-23119 [2,0,0,0,0,0|1,1,0]=4 334 B4R0.1 O=C(O)CO SC-26092 [2,0,0,0,0,0|1,1,0]=4 335 B4R0.1 O=C([O-])CI SC-80290 [2,0,0,0,0,0|2,0,0]=4 336 B4R0.2 C=CCCCl SC-90795 [2,0,0,0,0,0|1,0,1]=4 337 B4R0.2 C=CCCN SC-48242 [2,0,0,0,0,0|1,0,1]=4 338 B4R0.2 C=CCCN SC-52106 [2,0,0,0,0,0|1,0,1]=4 339 B4R0.2 C=CCCO SC-45284 [2,0,0,0,0,0|1,0,1]=4 340 B4R0.2 C=CCNC SC-05902 [2,0,0,0,0,0|1,0,1]=4 341 B4R0.2 C=CCSC SC-47211 [2,0,0,0,0,0|1,0,1]=4 342 B4R0.2 CCCNC SC-27548 [2,0,0,0,0,0|1,0,0]=3 343 B4R0.2 CCN=C=O SC-11793 [2,0,0,0,0,0|1,0,1]=4 344 B4R0.2 CCOCC SC-73354 [2,0,0,0,0,0|1,0,1]=4 345 B4R0.2 CNCCBr SC-98001 [2,0,0,0,0,0|2,0,0]=4 346 B4R0.2 COCC=O SC-48883 [2,0,0,0,0,0|1,0,0]=3 347 B4R0.2 COCCCl SC-05903 [2,0,0,0,0,0|2,0,0]=4 348 B4R0.2 COCCN SC-22236 [2,0,0,0,0,0|2,0,0]=4 349 B4R0.2 CSCCCl SC-53991 [2,0,0,0,0,0|2,0,0]=4 350 B4R0.2 CSCCN SC-28443 [2,0,0,0,0,0|2,0,0]=4 351 B4R0.2 CSCCN SC-83550 [2,0,0,0,0,0|2,0,0]=4 352 B4R0.2 CSCCO SC-19276 [2,0,0,0,0,0|2,0,0]=4 353 B4R0.2 C\C=C/CO SC-69832 [2,0,0,0,0,0|1,0,1]=4 354 B4R0.2 C\C=C\CCl SC-22573 [2,0,0,0,0,0|1,0,1]=4 355 B4R0.2 C\C=C\CO SC-25521 [2,0,0,0,0,0|1,0,1]=4 356 B4R0.2 C\C=C\CO SC-69597 [2,0,0,0,0,0|1,0,1]=4 357 B4R0.2 C\C=C\OC SC-97407 [2,0,0,0,0,0|1,0,1]=4 358 B4R0.2 O=CCCCl SC-71322 [2,0,0,0,0,0|1,0,0]=3 359 B4R0.2 O=CCCO SC-52939 [2,0,0,0,0,0|1,0,0]=3 360 B6R0.1 C#CC(=O)OCC SC-05846 [1,1,0,0,0,0|1,0,1]=4 361 B6R0.1 C#CCC(=O)OC SC-13148 [1,1,0,0,0,0|0,0,2]=4 362 B6R0.1 C=CCC(=O)OC SC-48829 [1,1,0,0,0,0|0,0,2]=4 363 B6R0.1 CC#CC(=O)OC SC-48510 [1,1,0,0,0,0|0,0,2]=4 364 B6R0.1 CCOC(=N)CCl SC-39703 [1,1,0,0,0,0|2,0,0]=4 365 B6R0.1 CCOC(=N)CCl SC-53117 [1,1,0,0,0,0|2,0,0]=4 366 B6R0.1 CCOC(=O)C#N SC-20120 [1,1,0,0,0,0|1,0,1]=4 367 B6R0.1 CCOC(=O)CBr SC-17870 [1,1,0,0,0,0|1,0,0]=3 368 B6R0.1 CCOC(=O)CCl SC-79310 [1,1,0,0,0,0|1,0,0]=3 369 B6R0.1 CCOC(=O)CN SC-09569 [1,1,0,0,0,0|1,0,0]=3 370 B6R0.1 CCOC(=O)CN SC-48652 [1,1,0,0,0,0|1,0,0]=3 371 B6R0.1 CCOC(=O)CO SC-50412 [1,1,0,0,0,0|1,0,0]=3 372 B6R0.1 CCOC(=O)CS SC-18381 [1,1,0,0,0,0|1,0,0]=3 373 B6R0.1 CCOC(=O)NN SC-50147 [1,1,0,0,0,0|2,0,0]=4 374 B6R0.1 CNC(=O)CC#N SC-97600 [1,1,0,0,0,0|1,0,1]=4 375 B6R0.1 CNCC(=O)OC SC-10432 [1,1,0,0,0,0|1,0,0]=3 376 B6R0.1 COC(=O)CC=O SC-53143 [1,1,0,0,0,0|1,0,1]=4 377 B6R0.1 COC(=O)CCBr SC-18677 [1,1,0,0,0,0|1,0,0]=3 378 B6R0.1 COC(=O)CCN SC-21486 [1,1,0,0,0,0|1,0,0]=3 379 B6R0.1 COC(=O)CCO SC-21690 [1,1,0,0,0,0|1,0,0]=3 380 B6R0.1 COC(=O)CSC SC-20536 [1,1,0,0,0,0|1,0,0]=3 381 B6R0.1 COC(=O)OCCl SC-53303 [1,1,0,0,0,0|2,0,0]=4 382 B6R0.1 COCC(=O)NN SC-54001 [1,1,0,0,0,0|2,0,0]=4 383 B6R0.1 COCC(=O)OC SC-62202 [1,1,0,0,0,0|1,0,0]=3 384 B6R0.1 C\C=C\C(=O)OC SC-22589 [1,1,0,0,0,0|0,0,2]=4 385 B6R0.1 O=C(CCl)NCO SC-21590 [1,1,0,0,0,0|2,0,0]=4 386 B6R0.1 [C-]#[N+]CC(=O)OC SC-19522 [1,1,0,0,0,0|1,0,1]=4 387 B6R0.2 CC(=O)CC(C)=O SC-77723 [1,1,0,0,0,0|0,0,1]=3 388 B6R0.2 CC(=O)NC(C)C SC-A3057 [1,1,0,0,0,0|1,0,0]=3 389 B6R0.2 CC(=O)OC(C)C SC-25616 [1,1,0,0,0,0|1,0,0]=3 390 B6R0.2 CC(=O)\C=C(\C)N SC-89382 [1,1,0,0,0,0|0,0,2]=4 391 B6R0.2 CC(=O)\C=C(\C)O SC-20333 [1,1,0,0,0,0|0,0,2]=4 392 B6R0.2 CC(=O)\C=C(\C)O SC-67757 [1,1,0,0,0,0|0,0,2]=4 393 B6R0.2 CC(=O)\C=C(\C)[O-] SC-19412 [1,1,0,0,0,0|0,0,2]=4 394 B6R0.2 CC(Cl)CN(C)C SC-81232 [1,1,0,0,0,0|2,0,0]=4 395 B6R0.2 CC(Cl)OC(=O)Cl SC-13624 [1,1,0,0,0,0|2,0,0]=4 396 B6R0.2 CN(C)CC(N)=O SC-89197 [1,1,0,0,0,0|2,0,0]=4 397 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [1,1,0,0,0,0|1,0,0]=3 398 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [1,1,0,0,0,0|1,0,0]=3 399 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [1,1,0,0,0,0|1,0,0]=3 400 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [1,1,0,0,0,0|1,0,0]=3 401 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [1,1,0,0,0,0|2,0,0]=4 402 B6R0.4 C=C(C)CNCC SC-47240 [1,1,0,0,0,0|1,0,0]=3 403 B6R0.4 C=CCCC(=O)O SC-25836 [1,1,0,0,0,0|1,0,1]=4 404 B6R0.4 CC(=O)CCCBr SC-91341 [1,1,0,0,0,0|0,0,0]=2 405 B6R0.4 CC(=O)NCCN SC-19651 [1,1,0,0,0,0|1,0,0]=3 406 B6R0.4 CCCCC(=O)Cl SC-46867 [1,1,0,0,0,0|1,0,0]=3 407 B6R0.4 CC\C=C\C(=O)O SC-92876 [1,1,0,0,0,0|1,0,1]=4 408 B6R0.4 CN(C)CCCBr SC-12824 [1,1,0,0,0,0|2,0,0]=4 409 B6R0.4 CN(C)CCCBr SC-48972 [1,1,0,0,0,0|2,0,0]=4 410 B6R0.4 CN(C)CCCCl SC-18516 [1,1,0,0,0,0|2,0,0]=4 411 B6R0.4 CN(C)CCCCl SC-53120 [1,1,0,0,0,0|2,0,0]=4 412 B6R0.4 CNCCC(=O)O SC-27492 [1,1,0,0,0,0|1,0,0]=3 413 B6R0.4 CNCCC(=O)O SC-52914 [1,1,0,0,0,0|1,0,0]=3 414 B6R0.4 CNCCN(C)C SC-29103 [1,1,0,0,0,0|2,0,0]=4 415 B6R0.4 COCCC(=O)O SC-50255 [1,1,0,0,0,0|1,0,0]=3 416 B6R0.4 COCCN(C)C SC-21743 [1,1,0,0,0,0|2,0,0]=4 417 B6R0.4 CO\C=C\C(C)=O SC-71024 [1,1,0,0,0,0|0,0,2]=4 418 B6R0.4 CSCCC(=O)O SC-96567 [1,1,0,0,0,0|1,0,0]=3 419 B6R0.4 NCCCC(=O)O SC-10045 [1,1,0,0,0,0|1,0,0]=3 420 B6R0.4 O=C(Cl)CCCBr SC-70369 [1,1,0,0,0,0|1,0,0]=3 421 B6R0.4 O=C(O)CCCCl SC-89723 [1,1,0,0,0,0|1,0,0]=3 422 B6R0.5 CCCP(=O)(O)O SC-A3323 [1,1,0,0,0,0|2,0,0]=4 423 B6R0.5 CCCS(=O)(=O)O SC-80781 [1,1,0,0,0,0|2,0,0]=4 424 B6R0.5 CCCS(N)(=O)=O SC-95067 [1,1,0,0,0,0|2,0,0]=4 425 B6R0.5 CCC[N+](C)(C)C SC-79778 [1,1,0,0,0,0|2,0,0]=4 426 B6R0.5 CCOS(C)(=O)=O SC-21355 [1,1,0,0,0,0|2,0,0]=4 427 B6R0.5 CCOS(C)(=O)=O SC-80833 [1,1,0,0,0,0|2,0,0]=4 428 B6R0.5 CS(=O)(=O)CCBr SC-03864 [1,1,0,0,0,0|2,0,0]=4 429 B6R0.5 CS(=O)(=O)CCN SC-12252 [1,1,0,0,0,0|2,0,0]=4 430 B6R0.8 O=CC(Br)(Br)CBr SC-53498 [1,1,0,0,0,0|2,0,0]=4 431 B6R0.9 CCC(OC)OC SC-85699 [1,1,0,0,0,0|1,1,0]=4 432 B6R0.7 CC(=O)C(C)(C)Br SC-94430 [1,1,0,0,0,0|1,0,0]=3 433 B6R0.7 CC(=O)C(C)(C)C SC-18255 [1,1,0,0,0,0|1,0,0]=3 434 B6R0.7 CC(=O)C(C)(C)O SC-68565 [1,1,0,0,0,0|0,1,0]=3 435 B6R0.7 CC(C)(Br)C(=O)O SC-76089 [1,1,0,0,0,0|2,0,0]=4 436 B6R0.7 CC(C)(Br)C(N)=O SC-97499 [1,1,0,0,0,0|2,0,0]=4 437 B6R0.7 CC(C)(C)C(=O)[O-] SC-91732 [1,1,0,0,0,0|2,0,0]=4 438 B6R0.7 CC(C)(C)C(N)=O SC-68560 [1,1,0,0,0,0|2,0,0]=4 439 B6R0.7 CC(C)(Cl)C(=O)Cl SC-72836 [1,1,0,0,0,0|2,0,0]=4 440 B6R0.7 CC(C)(N)C(=O)O SC-25938 [1,1,0,0,0,0|2,0,0]=4 441 B6R0.7 CC(C)(N)C(N)=O SC-43988 [1,1,0,0,0,0|2,0,0]=4 442 B6R0.7 CC(C)(O)C(=O)[O-] SC-08910 [1,1,0,0,0,0|1,1,0]=4 443 B6R0.7 CC(F)(F)C(=O)O SC-91857 [1,1,0,0,0,0|2,0,0]=4 444 B8R0.2 CCC(C)C(N)C(=O)O SC-09610 [0,1,0,0,0,1|2,0,0]=4 445 B8R0.2 CCC(C)C(N)C(N)=O SC-24873 [0,1,0,0,0,1|2,0,0]=4 446 B8R0.16 COC(CC(C)=O)OC SC-15190 [0,1,0,0,0,1|1,1,0]=4 447 B8R0.19 CCC(=O)CC(=O)OC SC-13642 [0,1,0,0,0,1|0,1,1]=4 448 B8R0.19 CCC(=O)OC(=O)CC SC-26875 [0,1,0,0,0,1|0,1,1]=4 449 B8R0.19 COC(=O)C[C@@H](O)CCl SC-08919 [0,1,0,0,0,1|1,1,0]=4 450 B8R0.23 CC(=O)CC(O)[C@H](C)N SC-76554 [0,1,0,0,0,1|0,1,0]=3 451 B8R0.3 C=CCC(N)C(=O)OC SC-A2429 [0,2,0,0,0,0|1,0,1]=4 452 B8R0.3 CCCC(N)C(=O)OC SC-10383 [0,2,0,0,0,0|1,0,0]=3 453 B8R0.3 CCOC(=O)C(=O)CBr SC-15234 [0,2,0,0,0,0|0,1,1]=4 454 B8R0.3 CCOC(=O)C(=O)CC SC-46250 [0,2,0,0,0,0|0,1,1]=4 455 B8R0.3 CCOC(=O)C(N)CN SC-40715 [0,2,0,0,0,0|2,0,0]=4 456 B8R0.3 CCOC(=O)C(O)CC SC-84233 [0,2,0,0,0,0|0,1,0]=3 457 B8R0.3 CCOC(=O)[C@H](N)CO SC-09860 [0,2,0,0,0,0|2,0,0]=4 458 B8R0.3 COC(=O)C(Br)CCBr SC-22210 [0,2,0,0,0,0|1,0,0]=3 459 B8R0.3 [C@H](N)(CO)C(=O)OCC SC-09861 [0,2,0,0,0,0|2,0,0]=4 460 B8R0.8 CCCCC(N)C(=O)O SC-10365 [0,2,0,0,0,0|2,0,0]=4 461 B8R0.8 CCCC[C@@H](N)C(=O)O SC-10363 [0,2,0,0,0,0|2,0,0]=4 462 B8R0.8 CSCCC(N)C(N)=O SC-15811 [0,2,0,0,0,0|2,0,0]=4 463 B8R0.8 CSCC[C@@H](N)C(=O)O SC-09743 [0,2,0,0,0,0|2,0,0]=4 464 B8R0.8 C[Se]CC[C@H](N)C(=O)O SC-19961 [0,2,0,0,0,0|2,0,0]=4 465 B8R0.8 NCCCC(N)C(=O)O SC-10385 [0,2,0,0,0,0|2,0,0]=4 466 B8R0.8 NCCCC(N)C(=O)O SC-48991 [0,2,0,0,0,0|2,0,0]=4 467 B8R0.8 NCCC[C@H](N)C(=O)O SC-18299 [0,2,0,0,0,0|2,0,0]=4 468 B8R0.15 CCCC(CC)C(=O)O SC-82317 [0,2,0,0,0,0|2,0,0]=4 469 B8R0.13 COC(=O)C(C)(C)CN SC-01782 [0,2,0,0,0,0|2,0,0]=4 470 B8R0.13 COC(=O)C(C)(C)CO SC-52372 [0,2,0,0,0,0|2,0,0]=4 471 B8R0.20 COC(=O)C(CBr)CBr SC-45863 [0,2,0,0,0,0|2,0,0]=4 472 B8R0.20 COC(=O)C(OC)OC SC-52858 [0,2,0,0,0,0|1,1,0]=4 473 B8R0.27 CC(C)(C)C(N)C(=O)O SC-10341 [0,2,0,0,0,0|2,0,0]=4 474 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O SC-10342 [0,2,0,0,0,0|2,0,0]=4 475 B8R0.27 CC(C)(C)[C@H](N)C(=O)O SC-10343 [0,2,0,0,0,0|2,0,0]=4 476 B8R0.27 CC(C)(C)[C@H](N)C(N)=O SC-B0298 [0,2,0,0,0,0|2,0,0]=4 477 B8R0.27 CC(C)(S)C(N)C(=O)O SC-11163 [0,2,0,0,0,0|2,0,0]=4 478 B8R0.18 CC(C)[C@@H](CN)C(=O)O SC-A1205 [0,2,0,0,0,0|2,0,0]=4 479 B8R0.18 CC(C)[C@H](CN)C(=O)O SC-A1208 [0,2,0,0,0,0|2,0,0]=4 480 B8R0.18 CC(C)[C@H](CN)C(=O)O SC-A1209 [0,2,0,0,0,0|2,0,0]=4 481 B8R0.18 CCC(C(=O)Cl)C(=O)Cl SC-16088 [0,2,0,0,0,0|1,1,0]=4 482 B6R1.2 CC1=CCCC1 SC-46849 [1,0,0,1,0,0|1,0,0]=3 483 B6R1.2 CC1=CCCO1 SC-69814 [1,0,0,1,0,0|0,0,2]=4 484 B6R1.2 CC1=NCCC1 SC-07079 [1,0,0,1,0,0|1,0,0]=3 485 B6R1.2 CC1CCCN1 SC-89376 [1,0,0,1,0,0|1,0,1]=4 486 B6R1.2 CC1CCCN1 SC-A3822 [1,0,0,1,0,0|1,0,1]=4 487 B6R1.2 CN1CCCC1 SC-19022 [1,0,0,1,0,0|2,0,0]=4 488 B6R1.2 C[C@H]1CCCN1 SC-95860 [1,0,0,1,0,0|1,0,1]=4 489 B6R1.2 FC1CCCC1 SC-09548 [1,0,0,1,0,0|1,0,1]=4 490 B6R1.2 NC1=NCCC1 SC-68430 [1,0,0,1,0,0|2,0,0]=4 491 B6R1.2 NC1CCCC1 SC-84758 [1,0,0,1,0,0|1,0,1]=4 492 B6R1.2 NN1CCCC1 SC-01559 [1,0,0,1,0,0|2,0,0]=4 493 B6R1.2 NN1CCCC1 SC-65336 [1,0,0,1,0,0|2,0,0]=4 494 B6R1.2 O=C1C=CCC1 SC-07348 [1,0,0,1,0,0|0,0,2]=4 495 B6R1.2 O=C1CCCN1 SC-85210 [1,0,0,1,0,0|1,0,0]=3 496 B6R1.2 O=C1CCNC1 SC-24328 [1,0,0,1,0,0|1,0,0]=3 497 B6R1.2 O=C1CCNC1 SC-50749 [1,0,0,1,0,0|1,0,0]=3 498 B6R1.2 O=C1CCNN1 SC-21405 [1,0,0,1,0,0|2,0,0]=4 499 B6R1.2 O=C1CCOC1 SC-21867 [1,0,0,1,0,0|1,0,0]=3 500 B6R1.2 O=C1NCCO1 SC-04833 [1,0,0,1,0,0|2,0,0]=4 501 B6R1.2 O=C1NCCS1 SC-27050 [1,0,0,1,0,0|2,0,0]=4 502 B6R1.2 [C@@H]1(C)CCCN1 SC-48604 [1,0,0,1,0,0|1,0,1]=4 503 B6R1.5 NC1CC(=O)C1 SC-50311 [1,0,0,1,0,0|1,0,0]=3 504 B6R1.5 NC1CC(=O)C1 SC-67476 [1,0,0,1,0,0|1,0,0]=3 505 B6R1.10 CC1(N)CCC1 SC-38385 [1,0,0,1,0,0|1,0,1]=4 506 B6R1.10 CC1(N)CCC1 SC-82175 [1,0,0,1,0,0|1,0,1]=4 507 B6R1.10 C[Si]1(Cl)CCC1 SC-65745 [1,0,0,1,0,0|1,1,0]=4 508 B6R1.10 O=S1(=O)CCC1 SC-28013 [1,0,0,1,0,0|2,0,0]=4 509 B6R1.11 CC(=O)C1CC1 SC-17503 [1,0,0,1,0,0|0,0,0]=2 510 B6R1.11 CC(O)C1CC1 SC-19615 [1,0,0,1,0,0|0,0,2]=4 511 B6R1.11 CN(C)C1CC1 SC-00873 [1,0,0,1,0,0|2,0,0]=4 512 B6R1.11 C[C@@H](N)C1CC1 SC-83564 [1,0,0,1,0,0|1,0,1]=4 513 B6R1.11 C[C@H](N)C1CC1 SC-87033 [1,0,0,1,0,0|1,0,1]=4 514 B6R1.11 N=C(N)C1CC1 SC-05436 [1,0,0,1,0,0|2,0,0]=4 515 B6R1.11 N=C(N)C1CC1 SC-12465 [1,0,0,1,0,0|2,0,0]=4 516 B6R1.11 NC(=O)C1CC1 SC-92415 [1,0,0,1,0,0|1,0,0]=3 517 B6R1.11 O=C(Cl)C1CC1 SC-19263 [1,0,0,1,0,0|1,0,0]=3 518 B6R1.11 O=C(O)C1CC1 SC-22620 [1,0,0,1,0,0|1,0,0]=3 519 B6R1.11 O=C(O)C1CO1 SC-83949 [1,0,0,1,0,0|2,0,0]=4 520 B6R1.6 CNC1CCC1 SC-48003 [1,0,0,1,0,0|2,0,0]=4 521 B6R1.6 O=CC1CCC1 SC-14218 [1,0,0,1,0,0|1,0,0]=3 522 B6R1.6 O=CC1COC1 SC-65750 [1,0,0,1,0,0|2,0,0]=4 523 B8R1.1 NCC1CCC(=O)N1 SC-53656 [0,0,0,1,0,1|2,0,0]=4 524 B8R1.1 NC[C@@H]1CCC(=O)N1 SC-44056 [0,0,0,1,0,1|2,0,0]=4 525 B8R1.1 O=C1CC[C@@H](CO)N1 SC-09020 [0,0,0,1,0,1|2,0,0]=4 526 B8R1.1 O=C1CC[C@@H](CO)O1 SC-03496 [0,0,0,1,0,1|2,0,0]=4 527 B8R1.1 O=C1CC[C@H](CO)N1 SC-19648 [0,0,0,1,0,1|2,0,0]=4 528 B8R1.1 [C@H]1(CBr)CCC(=O)N1 SC-23592 [0,0,0,1,0,1|2,0,0]=4 529 B8R1.4 CC1CC(=O)CCN1 SC-14913 [0,0,0,1,0,1|2,0,0]=4 530 B8R1.4 CC1CC(=O)CCN1 SC-26346 [0,0,0,1,0,1|2,0,0]=4 531 B8R1.4 CC1CC(=O)CCO1 SC-43658 [0,0,0,1,0,1|2,0,0]=4 532 B8R1.4 CC1CCCC(=O)N1 SC-90092 [0,0,0,1,0,1|1,0,0]=3 533 B8R1.4 CC1CCNC(=O)C1 SC-65553 [0,0,0,1,0,1|2,0,0]=4 534 B8R1.4 CC1CNCC(=O)N1 SC-68745 [0,0,0,1,0,1|2,0,0]=4 535 B8R1.4 CN1CCCC(=O)C1 SC-88063 [0,0,0,1,0,1|2,0,0]=4 536 B8R1.4 C[C@H]1COCC(=O)N1 SC-82343 [0,0,0,1,0,1|2,0,0]=4 537 B8R1.4 NC1=CC(=O)CCC1 SC-18537 [0,0,0,1,0,1|1,0,1]=4 538 B8R1.4 O=C1CC(O)CCN1 SC-14921 [0,0,0,1,0,1|1,1,0]=4 539 B8R1.4 O=C1CC(O)CCN1 SC-26449 [0,0,0,1,0,1|1,1,0]=4 540 B8R1.4 O=C1CCCC(=O)C1 SC-16085 [0,0,0,1,0,1|0,1,1]=4 541 B8R1.4 O=C1CCCC(=O)N1 SC-65454 [0,0,0,1,0,1|0,1,1]=4 542 B8R1.4 O=C1CCCC(=O)O1 SC-43876 [0,0,0,1,0,1|0,1,1]=4 543 B8R1.4 O=C1CCCC(O)C1 SC-52929 [0,0,0,1,0,1|0,1,0]=3 544 B8R1.18 CC1CC(=O)OC1=O SC-97577 [0,0,0,1,0,1|0,1,1]=4 545 B8R1.18 CC1OC(=O)OC1C SC-21491 [0,0,0,1,0,1|2,0,0]=4 546 B8R1.34 O=C(O)CC1CCC1 SC-26391 [0,0,0,1,0,1|2,0,0]=4 547 B8R1.42 CC(=O)OC1(C)CC1 SC-91864 [0,0,0,1,0,1|1,0,0]=3 548 B8R1.5 CC1CCCCC1=O SC-20428 [0,1,0,1,0,0|1,0,0]=3 549 B8R1.5 C[C@H]1NCCNC1=O SC-05130 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.5 NC1CCCCC1=O SC-22252 [0,1,0,1,0,0|1,0,0]=3 551 B8R1.5 NC1CCCCC1=O SC-84826 [0,1,0,1,0,0|1,0,0]=3 552 B8R1.5 NC1CCCNC1=O SC-14514 [0,1,0,1,0,0|1,0,0]=3 553 B8R1.5 N[C@@H]1CCCNC1=O SC-48796 [0,1,0,1,0,0|1,0,0]=3 554 B8R1.5 N[C@H]1CCCNC1=O SC-27263 [0,1,0,1,0,0|1,0,0]=3 555 B8R1.5 O=C1CCCCC1=O SC-46435 [0,1,0,1,0,0|0,1,1]=4 556 B8R1.5 O=C1CCCCC1Br SC-86496 [0,1,0,1,0,0|1,0,0]=3 557 B8R1.5 O=C1CCCCC1Cl SC-20977 [0,1,0,1,0,0|1,0,0]=3 558 B8R1.5 O=C1CCCCC1O SC-49144 [0,1,0,1,0,0|0,1,0]=3 559 B8R1.5 O=C1CCNCC1Br SC-94331 [0,1,0,1,0,0|1,0,0]=3 560 B8R1.5 O=C1CCOCC1Br SC-33711 [0,1,0,1,0,0|1,0,0]=3 561 B8R1.5 O=C1NCCCC1O SC-14922 [0,1,0,1,0,0|0,1,0]=3 562 B8R1.7 CC(=O)C1CCCC1 SC-69830 [0,1,0,1,0,0|1,0,0]=3 563 B8R1.7 NC(=O)C1CCCN1 SC-24789 [0,1,0,1,0,0|2,0,0]=4 564 B8R1.7 NC(=O)C1CCNC1 SC-A3191 [0,1,0,1,0,0|2,0,0]=4 565 B8R1.7 NC(=O)[C@@H]1CCCN1 SC-06632 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.7 O=C(Cl)C1CCCC1 SC-45320 [0,1,0,1,0,0|2,0,0]=4 567 B8R1.7 O=C(O)C1CCCC1 SC-18675 [0,1,0,1,0,0|2,0,0]=4 568 B8R1.7 O=C(O)C1CCCN1 SC-09807 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.7 O=C(O)C1CCCO1 SC-A4307 [0,1,0,1,0,0|1,1,0]=4 570 B8R1.7 O=C(O)C1CCOC1 SC-21248 [0,1,0,1,0,0|1,1,0]=4 571 B8R1.7 O=C(O)[C@@H]1CCCN1 SC-09806 [0,1,0,1,0,0|2,0,0]=4 572 B8R1.7 O=C(O)[C@@H]1CCNC1 SC-48463 [0,1,0,1,0,0|2,0,0]=4 573 B8R1.7 O=C(O)[C@@H]1CCOC1 SC-25192 [0,1,0,1,0,0|1,1,0]=4 574 B8R1.7 O=C(O)[C@@H]1CSCN1 SC-77532 [0,1,0,1,0,0|2,0,0]=4 575 B8R1.7 O=C(O)[C@H]1CCCN1 SC-09805 [0,1,0,1,0,0|2,0,0]=4 576 B8R1.7 O=C(O)[C@H]1CCCO1 SC-07092 [0,1,0,1,0,0|1,1,0]=4 577 B8R1.7 O=C(O)[C@H]1CCNC1 SC-25206 [0,1,0,1,0,0|2,0,0]=4 578 B8R1.7 [C@H]1(C(=O)O)CCNC1 SC-48462 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.7 [C@H]1(C(N)=O)CCCN1 SC-13550 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.19 CC1(C)CCOC1=O SC-15803 [0,1,0,1,0,0|2,0,0]=4 581 B8R1.23 CC(=O)N1CC(N)C1 SC-51444 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.23 CC(=O)N1CC(N)C1 SC-A3072 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.23 CC1CC(C(=O)O)C1 SC-73078 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.23 CN1CC(C(=O)O)C1 SC-49053 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.23 O=C(O)C1CC(F)C1 SC-26589 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.54 NC(C(=O)O)C1CC1 SC-45627 [0,1,0,1,0,0|2,0,0]=4 587 B8R1.54 N[C@H](C(=O)O)C1CC1 SC-20216 [0,1,0,1,0,0|2,0,0]=4 588 B8R1.78 CC1(C(=O)O)CCC1 SC-25545 [0,1,0,1,0,0|2,0,0]=4 589 B8R1.78 CC1(C(=O)O)COC1 SC-26457 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.78 NC1(C(=O)O)CCC1 SC-21579 [0,1,0,1,0,0|2,0,0]=4 591 B8R1.78 NC1(C(=O)O)CCC1 SC-25077 [0,1,0,1,0,0|2,0,0]=4 592 B8R1.78 NC1(C(=O)O)CCC1 SC-53797 [0,1,0,1,0,0|2,0,0]=4 593 B8R1.78 O=C(O)C1(Br)CCC1 SC-65747 [0,1,0,1,0,0|2,0,0]=4 594 B8R1.11 C=CN1CCCC1=O SC-47246 [0,1,0,1,0,0|2,0,0]=4 595 B8R1.11 N#CC1CCCC1=O SC-46105 [0,1,0,1,0,0|1,0,0]=3 596 B8R1.38 COC(=O)C1CNC1 SC-12674 [0,1,0,1,0,0|2,0,0]=4 597 B8R1.38 COC(=O)C1CNC1 SC-12778 [0,1,0,1,0,0|2,0,0]=4 598 B8R1.38 O=C(CBr)C1CCC1 SC-23369 [0,1,0,1,0,0|1,0,0]=3 599 B8R1.39 CC1(C(=O)NN)CC1 SC-45655 [0,1,0,1,0,0|2,0,0]=4 600 B8R1.39 COC(=O)C1(C)CC1 SC-94041 [0,1,0,1,0,0|1,0,0]=3 601 B8R1.39 COC(=O)C1(C)CO1 SC-90627 [0,1,0,1,0,0|2,0,0]=4 602 B8R1.39 COC(=O)C1(N)CC1 SC-27643 [0,1,0,1,0,0|1,0,0]=3 603 B8R1.39 COC(=O)C1(N)CC1 SC-47489 [0,1,0,1,0,0|1,0,0]=3 604 B8R1.50 C=C1CCN(C)C1=O SC-48828 [0,1,0,1,0,0|1,0,1]=4 605 B8R1.50 CC1C(=O)CCC1=O SC-62325 [0,1,0,1,0,0|1,0,1]=4 606 B8R1.50 CN1C(=O)CCC1O SC-88414 [0,1,0,1,0,0|1,1,0]=4 607 B8R1.50 CN1CCC(N)C1=O SC-25143 [0,1,0,1,0,0|1,0,0]=3 608 B8R1.63 N#CC1(C(=O)O)CC1 SC-38027 [0,1,0,1,0,0|2,0,0]=4