0 B6R0.3 C=C(C#N)C(=O)O SC-66090 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.3 C=CC(C)C(=O)O SC-65769 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 C=C[C@H](N)C(=O)O SC-99216 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.3 CC(C#N)C(=O)O SC-65741 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.3 CC(C)[C@@H](N)CO SC-04448 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.3 CC(C)[C@H](N)CO SC-02242 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.3 CC(CBr)C(=O)O SC-53016 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.3 CC(CN)C(=O)O SC-10095 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.3 CC(CN)C(=O)O SC-16443 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.3 CCC(F)C(=O)O SC-82839 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.3 CCC(N)C(=O)O SC-25570 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.3 CCC(N)C(N)=O SC-67619 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.3 CCC(S)C(=O)O SC-90417 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.3 CCN(O)C(C)=O SC-69302 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [0,0,0,0,0,0|1,0,0]=1 18 B6R0.3 CC[C@H](N)C(N)=O SC-15825 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.3 COC(C)C(=O)O SC-49776 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.3 C[C@@H](CN)C(=O)O SC-69436 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.3 C[C@H](CN)C(=O)O SC-90232 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.3 C[C@H](CN)C(=O)O SC-A1203 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.3 N#CC(N)C(N)=O SC-12334 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.3 NC(=O)[C@@H](N)CO SC-09855 [0,0,0,0,0,0|1,0,0]=1 28 B6R0.3 NC(CO)C(=O)O SC-09828 [0,0,0,0,0,0|0,0,0]=0 29 B6R0.3 NC(CS)C(=O)O SC-16429 [0,0,0,0,0,0|0,1,0]=1 30 B6R0.3 NCC(N)C(=O)O SC-12518 [0,0,0,0,0,0|1,0,0]=1 31 B6R0.3 NCC(N)C(=O)O SC-26817 [0,0,0,0,0,0|1,0,0]=1 32 B6R0.3 NCC(O)C(=O)O SC-10335 [0,0,0,0,0,0|2,0,0]=2 33 B6R0.3 NC[C@@H](N)C(=O)O SC-10203 [0,0,0,0,0,0|1,0,0]=1 34 B6R0.3 N[C@@H](CO)C(=O)O SC-09827 [0,0,0,0,0,0|0,0,0]=0 35 B6R0.3 N[C@@H](CS)C(=O)O SC-45550 [0,0,0,0,0,0|0,1,0]=1 36 B6R0.3 N[C@H](CO)C(=O)O SC-09826 [0,0,0,0,0,0|0,0,0]=0 37 B6R0.3 O=C(Cl)C(Br)CBr SC-76209 [0,0,0,0,0,0|3,0,0]=3 38 B6R0.3 O=C(O)C(=O)CBr SC-15238 [0,0,0,0,0,0|2,0,1]=3 39 B6R0.3 O=C(O)C(Br)CBr SC-26969 [0,0,0,0,0,0|2,0,0]=2 40 B6R0.3 O=C(O)C(O)CCl SC-83865 [0,0,0,0,0,0|2,0,0]=2 41 B6R0.3 [C@@H](N)(CC)C(N)=O SC-49088 [0,0,0,0,0,0|2,0,0]=2 42 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09427 [0,0,0,0,0,0|0,1,0]=1 43 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09430 [0,0,0,0,0,0|0,1,0]=1 44 B6R0.3 [C@H](N)(CS)C(=O)O SC-09426 [0,0,0,0,0,0|0,1,0]=1 45 B5R0.1 C#CCC(=O)O SC-40344 [1,0,0,0,0,0|1,0,1]=3 46 B5R0.1 C=C(C)CCBr SC-26305 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.1 C=CCC(=O)O SC-49093 [1,0,0,0,0,0|1,0,1]=3 48 B5R0.1 CC#CC(=O)O SC-76460 [1,0,0,0,0,0|1,0,2]=4 49 B5R0.1 CC(=O)CC#N SC-26510 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.1 CC(=O)CCCl SC-21586 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.1 CC(=O)CCO SC-65678 [1,0,0,0,0,0|1,0,0]=2 52 B5R0.1 CC(=O)OCBr SC-44237 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.1 CC(=O)\C=N/O SC-89466 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.1 CC(=O)\C=N\O SC-68143 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.1 CC(C)=CCO SC-77150 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.1 CC(N)CCO SC-82589 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.1 CCCB(O)O SC-47544 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.1 CCCC(=N)N SC-19347 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.1 CCCC(=O)Cl SC-18924 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.1 CCCC(=O)[O-] SC-15718 [1,0,0,0,0,0|1,0,1]=3 61 B5R0.1 CCCC(C)O SC-03320 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.1 CCCC(N)=O SC-46377 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.1 CCOC(N)=O SC-16133 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.1 CN(C)CCO SC-87330 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.1 CNCC(=O)O SC-10425 [1,0,0,0,0,0|2,0,0]=3 66 B5R0.1 CNCC(N)=O SC-10429 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.1 COCC(=O)Cl SC-27381 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.1 CS(=O)CCN SC-89327 [1,0,0,0,0,0|3,0,0]=4 69 B5R0.1 C[C@@H](N)CCO SC-48293 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.1 C[C@@H](O)CCO SC-05919 [1,0,0,0,0,0|1,0,1]=3 71 B5R0.1 C[C@H](O)CCO SC-02840 [1,0,0,0,0,0|1,0,1]=3 72 B5R0.1 C\C=C/C(=O)O SC-25924 [1,0,0,0,0,0|1,0,2]=4 73 B5R0.1 N#CCC(=O)O SC-18648 [1,0,0,0,0,0|1,0,1]=3 74 B5R0.1 N#CCC(N)=O SC-26759 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.1 NCCC(=O)O SC-10014 [1,0,0,0,0,0|1,0,0]=2 76 B5R0.1 NCCC(N)=O SC-48688 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.1 NCCC(N)=O SC-84499 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.1 O=C(Cl)CCCl SC-16310 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.1 O=C(O)CCBr SC-18441 [1,0,0,0,0,0|1,0,0]=2 80 B5R0.1 O=C(O)CCS SC-22642 [1,0,0,0,0,0|0,1,0]=2 81 B5R0.3 C=C(CO)CO SC-17984 [1,0,0,0,0,0|1,0,2]=4 82 B5R0.3 C=CC(Cl)CCl SC-A3373 [1,0,0,0,0,0|3,0,0]=4 83 B5R0.3 C=CC(O)CC SC-93539 [1,0,0,0,0,0|3,0,0]=4 84 B5R0.3 C=C[C@H](N)CO SC-88199 [1,0,0,0,0,0|1,0,0]=2 85 B5R0.3 CC(CO)CBr SC-35572 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.3 CCC(C)CO SC-08990 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.3 CCC(N)CC SC-81736 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.3 CCC(N)CO SC-21072 [1,0,0,0,0,0|1,0,1]=3 89 B5R0.3 CC\C(N)=N\O SC-28960 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.3 CO[C@H](C)CO SC-71357 [1,0,0,0,0,0|3,0,0]=4 91 B5R0.3 NC(CO)CO SC-16669 [1,0,0,0,0,0|0,0,1]=2 92 B5R0.3 NCC(O)CO SC-15511 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.3 NC[C@@H](O)CO SC-06146 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.3 O=C(CO)CO SC-07450 [1,0,0,0,0,0|1,0,2]=4 95 B5R0.3 O=CC(Br)C=O SC-24696 [1,0,0,0,0,0|1,0,2]=4 96 B5R0.3 O=CC(Cl)C=O SC-43728 [1,0,0,0,0,0|1,0,2]=4 97 B5R0.3 O=CC(O)CO SC-04830 [1,0,0,0,0,0|1,0,0]=2 98 B5R0.3 OCC(Br)CBr SC-75335 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.3 OCC(O)CO SC-13789 [1,0,0,0,0,0|1,0,1]=3 100 B5R0.3 OC[C@@H](O)CCl SC-05423 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.3 [C@H](N)(CC)CO SC-08958 [1,0,0,0,0,0|1,0,1]=3 102 B5R0.3 [C@H](O)(CN)CO SC-05739 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.5 C=C(C)C(N)=O SC-74591 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.5 C=C(F)C(=O)O SC-47473 [1,0,0,0,0,0|1,0,2]=4 105 B5R0.5 CC(=O)C(=O)O SC-17382 [1,0,0,0,0,0|1,0,1]=3 106 B5R0.5 CC(=O)C(=O)[O-] SC-17414 [1,0,0,0,0,0|1,0,2]=4 107 B5R0.5 CC(=O)C(C)C SC-18478 [1,0,0,0,0,0|2,0,0]=3 108 B5R0.5 CC(=O)C(C)Cl SC-46981 [1,0,0,0,0,0|2,0,0]=3 109 B5R0.5 CC(=O)C(C)S SC-17208 [1,0,0,0,0,0|2,0,0]=3 110 B5R0.5 CC(=O)C(F)F SC-99156 [1,0,0,0,0,0|3,0,0]=4 111 B5R0.5 CC(=O)N(C)C SC-54108 [1,0,0,0,0,0|3,0,0]=4 112 B5R0.5 CC(Br)C(N)=O SC-97497 [1,0,0,0,0,0|2,0,0]=3 113 B5R0.5 CC(C)B(O)O SC-66620 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.5 CC(C)C(=N)N SC-13079 [1,0,0,0,0,0|3,0,0]=4 115 B5R0.5 CC(F)C(=O)O SC-83429 [1,0,0,0,0,0|1,0,0]=2 116 B5R0.5 CC(N)C(=O)O SC-09271 [1,0,0,0,0,0|0,0,0]=1 117 B5R0.5 CC(N)C(N)=O SC-94219 [1,0,0,0,0,0|1,0,0]=2 118 B5R0.5 CC(O)C(=O)[O-] SC-19308 [1,0,0,0,0,0|1,0,1]=3 119 B5R0.5 CC(O)C(=O)[O-] SC-25623 [1,0,0,0,0,0|1,0,1]=3 120 B5R0.5 CC(O)C(=O)[O-] SC-75139 [1,0,0,0,0,0|1,0,1]=3 121 B5R0.5 CC(O)C(C)O SC-08971 [1,0,0,0,0,0|2,0,1]=4 122 B5R0.5 CC(O)C(C)O SC-08972 [1,0,0,0,0,0|2,0,1]=4 123 B5R0.5 CC(O)C(C)O SC-81338 [1,0,0,0,0,0|2,0,1]=4 124 B5R0.5 CC(S)C(=O)O SC-74563 [1,0,0,0,0,0|1,0,0]=2 125 B5R0.5 CN(C)C(=O)Cl SC-15201 [1,0,0,0,0,0|3,0,0]=4 126 B5R0.5 C[C@@H](Br)C(=O)O SC-08843 [1,0,0,0,0,0|1,0,0]=2 127 B5R0.5 C[C@@H](Cl)C(=O)O SC-06610 [1,0,0,0,0,0|1,0,0]=2 128 B5R0.5 C[C@@H](N)C(=O)O SC-09270 [1,0,0,0,0,0|0,0,0]=1 129 B5R0.5 C[C@@H](N)C(N)=O SC-09289 [1,0,0,0,0,0|1,0,0]=2 130 B5R0.5 C[C@@H](O)C(N)=O SC-92873 [1,0,0,0,0,0|2,0,0]=3 131 B5R0.5 C[C@H](Cl)C(=O)O SC-03218 [1,0,0,0,0,0|1,0,0]=2 132 B5R0.5 C[C@H](N)C(=O)O SC-09272 [1,0,0,0,0,0|0,0,0]=1 133 B5R0.5 C[C@H](N)C(N)=O SC-03542 [1,0,0,0,0,0|1,0,0]=2 134 B5R0.5 C[C@H](O)C(N)=O SC-73228 [1,0,0,0,0,0|2,0,0]=3 135 B5R0.5 NC(=O)C(=O)[O-] SC-52623 [1,0,0,0,0,0|0,0,3]=4 136 B5R0.5 O=C(O)C(Cl)Cl SC-18205 [1,0,0,0,0,0|2,0,0]=3 137 B5R0.5 O=C(O)C(F)Br SC-49620 [1,0,0,0,0,0|2,0,0]=3 138 B5R0.5 O=C(O)C(F)F SC-25529 [1,0,0,0,0,0|2,0,0]=3 139 B5R0.5 O=C([O-])C(Cl)Cl SC-15953 [1,0,0,0,0,0|2,0,1]=4 140 B5R0.5 [2H]C(=O)N(C)C SC-97589 [1,0,0,0,0,0|3,0,0]=4 141 B5R0.5 [C@@H](C)(Br)C(=O)O SC-03475 [1,0,0,0,0,0|1,0,0]=2 142 B7R0.5 C#CC[C@@H](N)C(=O)O SC-A2980 [0,1,0,0,0,0|1,0,0]=2 143 B7R0.5 C=CCC(N)C(=O)O SC-10030 [0,1,0,0,0,0|1,0,0]=2 144 B7R0.5 C=CCC(N)C(=O)O SC-10031 [0,1,0,0,0,0|1,0,0]=2 145 B7R0.5 C=CCC(N)C(=O)O SC-10032 [0,1,0,0,0,0|1,0,0]=2 146 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [0,1,0,0,0,0|1,0,0]=2 147 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [0,1,0,0,0,0|1,0,0]=2 148 B7R0.5 CCCC(Br)C(=O)O SC-27020 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [0,1,0,0,0,0|1,0,0]=2 150 B7R0.5 CCOC(=O)C(=O)O SC-26569 [0,1,0,0,0,0|2,0,1]=4 151 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [0,1,0,0,0,0|0,0,0]=1 152 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [0,1,0,0,0,0|0,0,0]=1 153 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [0,1,0,0,0,0|0,0,0]=1 154 B7R0.5 NC(CCO)C(=O)O SC-10290 [0,1,0,0,0,0|0,0,0]=1 155 B7R0.5 NCCC(N)C(=O)O SC-10146 [0,1,0,0,0,0|1,0,0]=2 156 B7R0.5 NCCC(N)C(=O)O SC-20723 [0,1,0,0,0,0|1,0,0]=2 157 B7R0.5 NCCC(N)C(=O)O SC-23452 [0,1,0,0,0,0|1,0,0]=2 158 B7R0.5 NCCC(N)C(=O)O SC-25055 [0,1,0,0,0,0|1,0,0]=2 159 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [0,1,0,0,0,0|1,0,0]=2 160 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [0,1,0,0,0,0|0,0,0]=1 161 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [0,1,0,0,0,0|0,0,0]=1 162 B7R0.10 C=C(CO)C(=O)OC SC-53992 [0,1,0,0,0,0|1,0,1]=3 163 B7R0.10 CC(CN)[C@H](N)CO SC-54106 [0,1,0,0,0,0|2,0,1]=4 164 B7R0.10 CC[C@@H](O)C(=O)OC SC-49455 [0,1,0,0,0,0|2,0,0]=3 165 B7R0.10 CC[C@H](C)[C@H](N)CO SC-08984 [0,1,0,0,0,0|2,0,1]=4 166 B7R0.10 CC[C@H](N)C(=O)OC SC-33322 [0,1,0,0,0,0|1,0,0]=2 167 B7R0.10 CC[C@H](N)C(=O)OC SC-91370 [0,1,0,0,0,0|1,0,0]=2 168 B7R0.10 CNC(C)C(=O)OC SC-82127 [0,1,0,0,0,0|3,0,0]=4 169 B7R0.10 CN[C@@H](C)C(=O)OC SC-84501 [0,1,0,0,0,0|3,0,0]=4 170 B7R0.10 COC(=O)C(=O)CBr SC-15244 [0,1,0,0,0,0|2,0,1]=4 171 B7R0.10 COC(=O)C(Br)CO SC-87315 [0,1,0,0,0,0|1,0,0]=2 172 B7R0.10 COC(=O)C(Br)SC SC-83274 [0,1,0,0,0,0|3,0,0]=4 173 B7R0.10 COC(=O)C(C)CN SC-53925 [0,1,0,0,0,0|2,0,0]=3 174 B7R0.10 COC(=O)C(C)CO SC-08906 [0,1,0,0,0,0|1,0,0]=2 175 B7R0.10 COC(=O)C(C)CO SC-08907 [0,1,0,0,0,0|1,0,0]=2 176 B7R0.10 COC(=O)C(C)OC SC-92649 [0,1,0,0,0,0|3,0,0]=4 177 B7R0.10 COC(=O)C(Cl)C=O SC-53173 [0,1,0,0,0,0|1,0,2]=4 178 B7R0.10 COC(=O)C(Cl)CCl SC-48264 [0,1,0,0,0,0|2,0,0]=3 179 B7R0.10 COC(=O)C(N)CO SC-09862 [0,1,0,0,0,0|0,0,0]=1 180 B7R0.10 COC(=O)C(N)CO SC-51728 [0,1,0,0,0,0|0,0,0]=1 181 B7R0.10 COC(=O)[C@@H](C)CBr SC-08853 [0,1,0,0,0,0|2,0,0]=3 182 B7R0.10 COC(=O)[C@@H](N)CS SC-22400 [0,1,0,0,0,0|0,1,0]=2 183 B7R0.10 COC(=O)[C@@H](O)CO SC-44674 [0,1,0,0,0,0|1,0,0]=2 184 B7R0.10 COC(=O)[C@H](N)CCl SC-44813 [0,1,0,0,0,0|1,0,0]=2 185 B7R0.10 COC(=O)[C@H](N)CO SC-21448 [0,1,0,0,0,0|0,0,0]=1 186 B7R0.10 COC(=O)[C@H](N)CS SC-95830 [0,1,0,0,0,0|0,1,0]=2 187 B7R0.10 [C@H](O)(CO)[C@H](O)CO SC-11315 [0,1,0,0,0,0|1,0,2]=4 188 B7R0.13 C#CC(C)(C)C(=O)O SC-12019 [0,1,0,0,0,0|2,0,1]=4 189 B7R0.13 C=CC(C)(C)C(=O)O SC-72463 [0,1,0,0,0,0|2,0,1]=4 190 B7R0.13 CC(C)(C#N)C(=O)O SC-65742 [0,1,0,0,0,0|2,0,1]=4 191 B7R0.13 CC(C)(CF)C(=O)O SC-91781 [0,1,0,0,0,0|2,0,0]=3 192 B7R0.13 CC(C)(CO)[N+](=O)[O-] SC-74270 [0,1,0,0,0,0|2,0,1]=4 193 B7R0.13 CCC(F)(F)C(=O)O SC-06365 [0,1,0,0,0,0|2,0,0]=3 194 B7R0.13 CC[C@](C)(N)C(=O)O SC-85117 [0,1,0,0,0,0|1,0,0]=2 195 B7R0.13 COC(C)(C)C(=O)O SC-49777 [0,1,0,0,0,0|3,0,0]=4 196 B7R0.13 C[C@@](N)(CS)C(=O)O SC-48129 [0,1,0,0,0,0|0,1,0]=2 197 B7R0.14 CC(C)(C)C(N)CO SC-92545 [0,1,0,0,0,0|2,0,1]=4 198 B7R0.14 NC(CO)C(F)(F)F SC-14737 [0,1,0,0,0,0|2,0,1]=4 199 B7R0.14 NC(CO)C(F)(F)F SC-48374 [0,1,0,0,0,0|2,0,1]=4 200 B7R0.14 [C@H](N)(CO)C(C)(C)C SC-26207 [0,1,0,0,0,0|2,0,1]=4 201 B7R0.15 CNC(CO)C(=O)O SC-26706 [0,1,0,0,0,0|0,0,0]=1 202 B7R0.15 O=C(O)C(CBr)CBr SC-16780 [0,1,0,0,0,0|2,0,0]=3 203 B7R0.15 O=C(O)C(CF)CF SC-41163 [0,1,0,0,0,0|2,0,0]=3 204 B7R0.15 [C@@H](CO)(NC)C(=O)O SC-20914 [0,1,0,0,0,0|0,0,0]=1 205 B7R0.16 CC(C(=O)O)C(=O)O SC-16059 [0,1,0,0,0,0|1,0,1]=3 206 B7R0.16 CC(C)C(=O)C(=O)O SC-27422 [0,1,0,0,0,0|2,0,1]=4 207 B7R0.16 CC(C)C(Br)C(=O)O SC-26681 [0,1,0,0,0,0|2,0,0]=3 208 B7R0.16 CC(C)C(N)C(=O)O SC-09983 [0,1,0,0,0,0|1,0,0]=2 209 B7R0.16 CC(C)C(N)C(=O)O SC-09984 [0,1,0,0,0,0|1,0,0]=2 210 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [0,1,0,0,0,0|1,0,0]=2 211 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [0,1,0,0,0,0|2,0,0]=3 212 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [0,1,0,0,0,0|2,0,0]=3 213 B7R0.16 CC(C)[C@H](N)C(N)=O SC-19666 [0,1,0,0,0,0|2,0,0]=3 214 B7R0.16 CC(O)C(C)[N+](=O)[O-] SC-18769 [0,1,0,0,0,0|2,0,1]=4 215 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [0,1,0,0,0,0|0,0,0]=1 216 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [0,1,0,0,0,0|0,0,0]=1 217 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [0,1,0,0,0,0|0,0,0]=1 218 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [0,1,0,0,0,0|0,0,0]=1 219 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [0,1,0,0,0,0|0,0,0]=1 220 B7R0.16 NC(=O)C(N)C(N)=O SC-47934 [0,1,0,0,0,0|1,0,2]=4 221 B7R0.16 NC(C(=O)O)C(=O)O SC-10105 [0,1,0,0,0,0|0,0,1]=2 222 B7R0.16 O=C(O)C(O)C(=O)O SC-70695 [0,1,0,0,0,0|1,0,1]=3 223 B7R1.4 C=C1CCOC1=O SC-19579 [0,0,0,1,0,0|2,0,1]=4 224 B7R1.4 CC1CCCC1=O SC-89605 [0,0,0,1,0,0|3,0,0]=4 225 B7R1.4 CC1CCNC1=O SC-21672 [0,0,0,1,0,0|3,0,0]=4 226 B7R1.4 CC1CCOC1=O SC-20996 [0,0,0,1,0,0|2,0,0]=3 227 B7R1.4 NC1CCCC1O SC-21764 [0,0,0,1,0,0|2,0,1]=4 228 B7R1.4 NC1CCNC1=O SC-13910 [0,0,0,1,0,0|2,0,0]=3 229 B7R1.4 NC1CCNC1=O SC-53072 [0,0,0,1,0,0|2,0,0]=3 230 B7R1.4 N[C@@H]1CCNC1=O SC-65959 [0,0,0,1,0,0|2,0,0]=3 231 B7R1.4 N[C@@H]1CCNC1=O SC-A2225 [0,0,0,1,0,0|2,0,0]=3 232 B7R1.4 N[C@@H]1CCOC1=O SC-28003 [0,0,0,1,0,0|1,0,0]=2 233 B7R1.4 N[C@@H]1COC[C@@H]1N SC-33569 [0,0,0,1,0,0|2,0,1]=4 234 B7R1.4 N[C@H]1CCC[C@@H]1O SC-27686 [0,0,0,1,0,0|2,0,1]=4 235 B7R1.4 N[C@H]1CCNC1=O SC-96457 [0,0,0,1,0,0|2,0,0]=3 236 B7R1.4 N[C@H]1CCOC1=O SC-01385 [0,0,0,1,0,0|1,0,0]=2 237 B7R1.4 N[C@H]1CCOC1=O SC-28113 [0,0,0,1,0,0|1,0,0]=2 238 B7R1.4 N[C@H]1COC[C@@H]1O SC-44041 [0,0,0,1,0,0|1,0,1]=3 239 B7R1.4 O=C1CCCC1Cl SC-21538 [0,0,0,1,0,0|3,0,0]=4 240 B7R1.4 O=C1NCCC1O SC-26159 [0,0,0,1,0,0|3,0,0]=4 241 B7R1.4 O=C1NCC[C@H]1O SC-87526 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.4 O=C1OCCC1Br SC-15437 [0,0,0,1,0,0|2,0,0]=3 243 B7R1.4 [C@@H]1(N)CCC[C@H]1O SC-16146 [0,0,0,1,0,0|2,0,1]=4 244 B7R1.4 [C@H]1(N)CCC[C@H]1O SC-25435 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.12 O=C(O)C1CC1F SC-85228 [0,0,0,1,0,0|2,0,0]=3 246 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [0,0,0,1,0,0|2,0,0]=3 247 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [0,0,0,1,0,0|2,0,0]=3 248 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [0,0,0,1,0,0|2,0,0]=3 249 B7R1.18 CC(=O)C1CCC1 SC-74316 [0,0,0,1,0,0|3,0,0]=4 250 B7R1.18 NC(=O)[C@H]1CCN1 SC-42709 [0,0,0,1,0,0|2,0,0]=3 251 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [0,0,0,1,0,0|3,0,0]=4 252 B7R1.18 O=C(O)C1CCC1 SC-17776 [0,0,0,1,0,0|2,0,0]=3 253 B7R1.18 O=C(O)C1CCO1 SC-22549 [0,0,0,1,0,0|2,0,0]=3 254 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [0,0,0,1,0,0|1,0,0]=2 255 B7R1.19 CC(=O)C1(F)CC1 SC-83098 [0,0,0,1,0,0|3,0,0]=4 256 B7R1.19 CC1(C(=O)O)CC1 SC-21186 [0,0,0,1,0,0|2,0,0]=3 257 B7R1.19 CC1(C(=O)O)CO1 SC-A2140 [0,0,0,1,0,0|1,0,0]=2 258 B7R1.19 NC1(C(=O)O)CC1 SC-11059 [0,0,0,1,0,0|1,0,0]=2 259 B7R1.19 NC1(C(=O)O)CC1 SC-21274 [0,0,0,1,0,0|1,0,0]=2 260 B7R1.19 O=C(O)C1(F)CC1 SC-49577 [0,0,0,1,0,0|2,0,0]=3 261 B7R1.19 O=C(O)C1(O)CC1 SC-19780 [0,0,0,1,0,0|2,0,0]=3 262 B7R0.2 CC(C)C[C@@H](N)CO SC-15764 [0,0,0,0,0,1|2,0,1]=4 263 B7R0.2 CC(C)C[C@H](N)CO SC-08985 [0,0,0,0,0,1|2,0,1]=4 264 B7R0.2 CCC(C)CC(=O)O SC-19132 [0,0,0,0,0,1|2,0,0]=3 265 B7R0.2 CCC(N)CC(=O)O SC-59260 [0,0,0,0,0,1|1,0,0]=2 266 B7R0.2 CCC(O)CC(C)=O SC-92943 [0,0,0,0,0,1|3,0,0]=4 267 B7R0.2 NCC(O)CC(=O)O SC-50844 [0,0,0,0,0,1|2,0,0]=3 268 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [0,0,0,0,0,1|0,0,0]=1 269 B4R0.1 C#CC(=O)O SC-46968 [2,0,0,0,0,0|0,0,2]=4 270 B4R0.1 C#CC(C)N SC-52789 [2,0,0,0,0,0|1,0,1]=4 271 B4R0.1 C#CC(C)N SC-A2988 [2,0,0,0,0,0|1,0,1]=4 272 B4R0.1 C=C(C)C=O SC-83411 [2,0,0,0,0,0|1,0,1]=4 273 B4R0.1 C=C(C)CN SC-43404 [2,0,0,0,0,0|2,0,0]=4 274 B4R0.1 C=C(C)CN SC-84159 [2,0,0,0,0,0|2,0,0]=4 275 B4R0.1 C=CC(C)O SC-43661 [2,0,0,0,0,0|2,0,0]=4 276 B4R0.1 C=C[C@H](C)N SC-67439 [2,0,0,0,0,0|1,0,0]=3 277 B4R0.1 CC(=O)C=O SC-74380 [2,0,0,0,0,0|1,0,1]=4 278 B4R0.1 CC(=O)CBr SC-20936 [2,0,0,0,0,0|2,0,0]=4 279 B4R0.1 CC(=O)CN SC-28532 [2,0,0,0,0,0|1,0,0]=3 280 B4R0.1 CC(=O)CN SC-89750 [2,0,0,0,0,0|1,0,0]=3 281 B4R0.1 CC(=O)NO SC-18498 [2,0,0,0,0,0|2,0,0]=4 282 B4R0.1 CC(Br)CO SC-A3571 [2,0,0,0,0,0|1,0,1]=4 283 B4R0.1 CC(C)NO SC-A3794 [2,0,0,0,0,0|2,0,0]=4 284 B4R0.1 CC(N)C#N SC-92053 [2,0,0,0,0,0|1,0,1]=4 285 B4R0.1 CC(N)CO SC-18397 [2,0,0,0,0,0|0,0,1]=3 286 B4R0.1 CCB(O)O SC-04516 [2,0,0,0,0,0|1,0,1]=4 287 B4R0.1 CCC(=N)N SC-53846 [2,0,0,0,0,0|2,0,0]=4 288 B4R0.1 CCC(=O)O SC-22887 [2,0,0,0,0,0|0,0,0]=2 289 B4R0.1 CCC(=O)[O-] SC-47286 [2,0,0,0,0,0|0,0,1]=3 290 B4R0.1 CCC(C)O SC-01234 [2,0,0,0,0,0|1,0,1]=4 291 B4R0.1 CCC(N)=O SC-18213 [2,0,0,0,0,0|1,0,0]=3 292 B4R0.1 CCS(=O)[O-] SC-20356 [2,0,0,0,0,0|1,0,1]=4 293 B4R0.1 CC[C@H](C)N SC-81828 [2,0,0,0,0,0|1,0,1]=4 294 B4R0.1 CC[C@H](C)O SC-04418 [2,0,0,0,0,0|1,0,1]=4 295 B4R0.1 CNC(N)=O SC-15862 [2,0,0,0,0,0|2,0,0]=4 296 B4R0.1 C[C@@H](N)CN SC-08946 [2,0,0,0,0,0|1,0,1]=4 297 B4R0.1 C[C@@H](N)CO SC-03772 [2,0,0,0,0,0|0,0,1]=3 298 B4R0.1 C[C@@H](O)CN SC-03087 [2,0,0,0,0,0|1,0,1]=4 299 B4R0.1 C[C@@H](O)CO SC-04433 [2,0,0,0,0,0|1,0,0]=3 300 B4R0.1 C[C@H](Cl)CO SC-98590 [2,0,0,0,0,0|1,0,1]=4 301 B4R0.1 C[C@H](N)CN SC-08947 [2,0,0,0,0,0|1,0,1]=4 302 B4R0.1 C[C@H](N)CO SC-03066 [2,0,0,0,0,0|0,0,1]=3 303 B4R0.1 C[C@H](O)CCl SC-99597 [2,0,0,0,0,0|2,0,0]=4 304 B4R0.1 C[C@H](O)CN SC-03088 [2,0,0,0,0,0|1,0,1]=4 305 B4R0.1 C[C@H](O)CO SC-04434 [2,0,0,0,0,0|1,0,0]=3 306 B4R0.1 C\C(N)=N\O SC-29589 [2,0,0,0,0,0|1,0,1]=4 307 B4R0.1 N=C(N)CO SC-41719 [2,0,0,0,0,0|1,0,1]=4 308 B4R0.1 N=C(N)CO SC-50460 [2,0,0,0,0,0|1,0,1]=4 309 B4R0.1 NC(=O)CBr SC-17752 [2,0,0,0,0,0|1,0,1]=4 310 B4R0.1 NC(=O)CI SC-18913 [2,0,0,0,0,0|1,0,1]=4 311 B4R0.1 NC(=O)NO SC-17803 [2,0,0,0,0,0|1,0,1]=4 312 B4R0.1 NCC(=O)O SC-26884 [2,0,0,0,0,0|0,0,0]=2 313 B4R0.1 NCC(N)=O SC-09567 [2,0,0,0,0,0|1,0,0]=3 314 B4R0.1 NCC(N)=O SC-18427 [2,0,0,0,0,0|1,0,0]=3 315 B4R0.1 NNC(N)=O SC-18463 [2,0,0,0,0,0|2,0,0]=4 316 B4R0.1 NNC(N)=O SC-47308 [2,0,0,0,0,0|2,0,0]=4 317 B4R0.1 O=C(Br)CBr SC-18428 [2,0,0,0,0,0|2,0,0]=4 318 B4R0.1 O=C(Cl)CBr SC-49267 [2,0,0,0,0,0|2,0,0]=4 319 B4R0.1 O=C(O)CBr SC-18211 [2,0,0,0,0,0|1,0,0]=3 320 B4R0.1 O=C(O)CO SC-23119 [2,0,0,0,0,0|0,0,0]=2 321 B4R0.1 O=C(O)CO SC-26092 [2,0,0,0,0,0|0,0,0]=2 322 B4R0.1 O=C([O-])CI SC-80290 [2,0,0,0,0,0|1,0,1]=4 323 B4R0.1 O=CC(=O)O SC-25819 [2,0,0,0,0,0|0,0,2]=4 324 B4R0.1 OCC(F)F SC-16815 [2,0,0,0,0,0|2,0,0]=4 325 B4R0.2 C#CCCO SC-17773 [2,0,0,0,0,0|1,0,1]=4 326 B4R0.2 C=CCCCl SC-90795 [2,0,0,0,0,0|2,0,0]=4 327 B4R0.2 C=CCCN SC-48242 [2,0,0,0,0,0|2,0,0]=4 328 B4R0.2 C=CCCN SC-52106 [2,0,0,0,0,0|2,0,0]=4 329 B4R0.2 C=CCCO SC-45284 [2,0,0,0,0,0|1,0,0]=3 330 B4R0.2 COCC=O SC-48883 [2,0,0,0,0,0|2,0,0]=4 331 B4R0.2 CSCCO SC-19276 [2,0,0,0,0,0|2,0,0]=4 332 B4R0.2 C\C=C/CO SC-69832 [2,0,0,0,0,0|1,0,1]=4 333 B4R0.2 C\C=C\CO SC-25521 [2,0,0,0,0,0|1,0,1]=4 334 B4R0.2 C\C=C\CO SC-69597 [2,0,0,0,0,0|1,0,1]=4 335 B4R0.2 NCCCO SC-16407 [2,0,0,0,0,0|1,0,1]=4 336 B4R0.2 NNCCO SC-15469 [2,0,0,0,0,0|2,0,0]=4 337 B4R0.2 NOCCO SC-41192 [2,0,0,0,0,0|2,0,0]=4 338 B4R0.2 O=CCCCl SC-71322 [2,0,0,0,0,0|1,0,0]=3 339 B4R0.2 O=CCCO SC-52939 [2,0,0,0,0,0|0,0,0]=2 340 B4R0.2 OCCCBr SC-13514 [2,0,0,0,0,0|1,0,1]=4 341 B4R0.2 OCCCCl SC-15525 [2,0,0,0,0,0|1,0,1]=4 342 B4R0.2 OCCCF SC-24862 [2,0,0,0,0,0|1,0,1]=4 343 B4R0.2 OCCCI SC-65803 [2,0,0,0,0,0|1,0,1]=4 344 B4R0.2 OCCCO SC-25736 [2,0,0,0,0,0|0,0,1]=3 345 B6R0.1 C#CCC(=O)OC SC-13148 [1,1,0,0,0,0|1,0,1]=4 346 B6R0.1 C=CC(=O)NCO SC-75438 [1,1,0,0,0,0|2,0,0]=4 347 B6R0.1 C=CCC(=O)OC SC-48829 [1,1,0,0,0,0|1,0,1]=4 348 B6R0.1 CCOC(=O)CO SC-50412 [1,1,0,0,0,0|2,0,0]=4 349 B6R0.1 CNCC(=O)OC SC-10432 [1,1,0,0,0,0|2,0,0]=4 350 B6R0.1 COC(=O)CC=O SC-53143 [1,1,0,0,0,0|0,0,2]=4 351 B6R0.1 COC(=O)CCBr SC-18677 [1,1,0,0,0,0|1,0,0]=3 352 B6R0.1 COC(=O)CCN SC-21486 [1,1,0,0,0,0|1,0,0]=3 353 B6R0.1 COC(=O)CCO SC-21690 [1,1,0,0,0,0|0,0,0]=2 354 B6R0.1 COC(=O)CSC SC-20536 [1,1,0,0,0,0|2,0,0]=4 355 B6R0.1 COC(=O)OCCl SC-53303 [1,1,0,0,0,0|2,0,0]=4 356 B6R0.1 COCC(=O)OC SC-62202 [1,1,0,0,0,0|2,0,0]=4 357 B6R0.1 O=C(CCl)NCO SC-21590 [1,1,0,0,0,0|2,0,0]=4 358 B6R0.1 OCCC(O)CO SC-15322 [1,1,0,0,0,0|0,0,2]=4 359 B6R0.1 OCC[C@H](O)CO SC-08973 [1,1,0,0,0,0|0,0,2]=4 360 B6R0.1 [C-]#[N+]CC(=O)OC SC-19522 [1,1,0,0,0,0|2,0,0]=4 361 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [1,1,0,0,0,0|1,0,0]=3 362 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [1,1,0,0,0,0|1,0,0]=3 363 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [1,1,0,0,0,0|1,0,0]=3 364 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [1,1,0,0,0,0|0,0,0]=2 365 B6R0.4 C=CCCC(=O)O SC-25836 [1,1,0,0,0,0|1,0,0]=3 366 B6R0.4 C=CNCC(=O)O SC-20808 [1,1,0,0,0,0|1,0,1]=4 367 B6R0.4 CC(=O)CCCBr SC-91341 [1,1,0,0,0,0|2,0,0]=4 368 B6R0.4 CC(=O)NCCN SC-19651 [1,1,0,0,0,0|2,0,0]=4 369 B6R0.4 CCCCC(=O)Cl SC-46867 [1,1,0,0,0,0|2,0,0]=4 370 B6R0.4 CC\C=C\C(=O)O SC-92876 [1,1,0,0,0,0|1,0,1]=4 371 B6R0.4 CNCCC(=O)O SC-27492 [1,1,0,0,0,0|1,0,0]=3 372 B6R0.4 CNCCC(=O)O SC-52914 [1,1,0,0,0,0|1,0,0]=3 373 B6R0.4 COCCC(=O)O SC-50255 [1,1,0,0,0,0|0,0,0]=2 374 B6R0.4 CSCCC(=O)O SC-96567 [1,1,0,0,0,0|0,1,0]=3 375 B6R0.4 NCCCC(=O)O SC-10045 [1,1,0,0,0,0|1,0,0]=3 376 B6R0.4 O=C(Cl)CCCBr SC-70369 [1,1,0,0,0,0|2,0,0]=4 377 B6R0.4 O=C(O)C#CCO SC-89192 [1,1,0,0,0,0|0,0,1]=3 378 B6R0.4 O=C(O)CCCCl SC-89723 [1,1,0,0,0,0|1,0,0]=3 379 B6R0.4 O=C(O)\C=C\CBr SC-53654 [1,1,0,0,0,0|1,0,1]=4 380 B6R0.5 CC(C)(O)CCO SC-20680 [1,1,0,0,0,0|1,0,1]=4 381 B6R0.5 CCCP(=O)(O)O SC-A3323 [1,1,0,0,0,0|2,0,0]=4 382 B6R0.5 CCCS(=O)(=O)O SC-80781 [1,1,0,0,0,0|2,0,0]=4 383 B6R0.5 NCCP(=O)(O)O SC-98222 [1,1,0,0,0,0|2,0,0]=4 384 B6R0.5 O=P(O)(O)CCCl SC-79944 [1,1,0,0,0,0|2,0,0]=4 385 B6R0.5 O=S(=O)(O)CCBr SC-96124 [1,1,0,0,0,0|2,0,0]=4 386 B6R0.5 O=S(=O)(O)CCO SC-15822 [1,1,0,0,0,0|1,0,0]=3 387 B6R0.5 O=S(=O)([O-])CCO SC-80079 [1,1,0,0,0,0|1,0,1]=4 388 B6R0.8 CC(N)(CO)CO SC-44686 [1,1,0,0,0,0|0,0,1]=3 389 B6R0.8 O=CC(Br)(Br)CBr SC-53498 [1,1,0,0,0,0|2,0,0]=4 390 B6R0.8 OCC(F)(F)CO SC-A2616 [1,1,0,0,0,0|1,0,1]=4 391 B6R0.9 OCC(CO)CO SC-43670 [1,1,0,0,0,0|1,0,1]=4 392 B6R0.7 CC(=O)C(C)(C)Br SC-94430 [1,1,0,0,0,0|2,0,0]=4 393 B6R0.7 CC(=O)C(C)(C)C SC-18255 [1,1,0,0,0,0|2,0,0]=4 394 B6R0.7 CC(=O)C(C)(C)O SC-68565 [1,1,0,0,0,0|2,0,0]=4 395 B6R0.7 CC(C)(Br)C(=O)O SC-76089 [1,1,0,0,0,0|1,0,0]=3 396 B6R0.7 CC(C)(Br)C(N)=O SC-97499 [1,1,0,0,0,0|2,0,0]=4 397 B6R0.7 CC(C)(C)C(=O)[O-] SC-91732 [1,1,0,0,0,0|1,0,1]=4 398 B6R0.7 CC(C)(C)C(N)=O SC-68560 [1,1,0,0,0,0|2,0,0]=4 399 B6R0.7 CC(C)(Cl)C(=O)Cl SC-72836 [1,1,0,0,0,0|2,0,0]=4 400 B6R0.7 CC(C)(N)C(=O)O SC-25938 [1,1,0,0,0,0|0,0,0]=2 401 B6R0.7 CC(C)(N)C(N)=O SC-43988 [1,1,0,0,0,0|1,0,0]=3 402 B6R0.7 CC(C)(O)C(=O)[O-] SC-08910 [1,1,0,0,0,0|1,0,1]=4 403 B6R0.7 CC(F)(F)C(=O)O SC-91857 [1,1,0,0,0,0|1,0,0]=3 404 B6R0.7 O=C(O)C(F)(F)Br SC-16754 [1,1,0,0,0,0|2,0,0]=4 405 B6R0.7 O=C(O)C(F)(F)Cl SC-17398 [1,1,0,0,0,0|2,0,0]=4 406 B8R0.2 CCC(C)C(N)C(=O)O SC-09610 [0,1,0,0,0,1|2,0,0]=4 407 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO SC-15195 [0,1,0,0,0,1|1,0,1]=4 408 B8R0.19 COC(=O)C[C@@H](O)CCl SC-08919 [0,1,0,0,0,1|2,0,0]=4 409 B8R0.23 CC(CC(=O)O)C(=O)O SC-51763 [0,1,0,0,0,1|1,0,1]=4 410 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SC-08886 [0,1,0,0,0,1|1,0,1]=4 411 B8R0.23 C[C@H](CC(=O)O)C(=O)O SC-08885 [0,1,0,0,0,1|1,0,1]=4 412 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SC-09347 [0,1,0,0,0,1|1,0,1]=4 413 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09348 [0,1,0,0,0,1|1,0,1]=4 414 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09349 [0,1,0,0,0,1|1,0,1]=4 415 B8R0.23 N[C@H](CC(=O)O)C(=O)O SC-01867 [0,1,0,0,0,1|0,0,1]=3 416 B8R0.23 O=C(O)C[C@@H](O)C(=O)O SC-05990 [0,1,0,0,0,1|1,0,1]=4 417 B8R0.3 C=CCC(N)C(=O)OC SC-A2429 [0,2,0,0,0,0|1,0,0]=3 418 B8R0.3 CCCC(N)C(=O)OC SC-10383 [0,2,0,0,0,0|1,0,0]=3 419 B8R0.3 CCOC(=O)C(N)C#N SC-25385 [0,2,0,0,0,0|1,0,1]=4 420 B8R0.3 CCOC(=O)C(N)CN SC-40715 [0,2,0,0,0,0|1,0,0]=3 421 B8R0.3 CCOC(=O)C(O)CC SC-84233 [0,2,0,0,0,0|2,0,0]=4 422 B8R0.3 CCOC(=O)[C@H](N)CO SC-09860 [0,2,0,0,0,0|0,0,0]=2 423 B8R0.3 COC(=O)C(Br)CCBr SC-22210 [0,2,0,0,0,0|2,0,0]=4 424 B8R0.3 O=CCC(O)C(O)CO SC-13541 [0,2,0,0,0,0|1,0,1]=4 425 B8R0.3 O=CC[C@H](O)[C@H](O)CO SC-09180 [0,2,0,0,0,0|1,0,1]=4 426 B8R0.3 [C@H](N)(CO)C(=O)OCC SC-09861 [0,2,0,0,0,0|0,0,0]=2 427 B8R0.8 CCCCC(N)C(=O)O SC-10365 [0,2,0,0,0,0|1,0,0]=3 428 B8R0.8 CCCC[C@@H](N)C(=O)O SC-10363 [0,2,0,0,0,0|1,0,0]=3 429 B8R0.8 CSCCC(N)C(N)=O SC-15811 [0,2,0,0,0,0|1,1,0]=4 430 B8R0.8 CSCC[C@@H](N)C(=O)O SC-09743 [0,2,0,0,0,0|0,1,0]=3 431 B8R0.8 C[Se]CC[C@H](N)C(=O)O SC-19961 [0,2,0,0,0,0|0,1,0]=3 432 B8R0.8 NCCCC(N)C(=O)O SC-10385 [0,2,0,0,0,0|1,0,0]=3 433 B8R0.8 NCCCC(N)C(=O)O SC-48991 [0,2,0,0,0,0|1,0,0]=3 434 B8R0.8 NCCC[C@H](N)C(=O)O SC-18299 [0,2,0,0,0,0|1,0,0]=3 435 B8R0.12 C=CCC(C)(C)C(=O)O SC-51697 [0,2,0,0,0,0|2,0,0]=4 436 B8R0.12 C=CCC(F)(F)C(=O)O SC-30871 [0,2,0,0,0,0|2,0,0]=4 437 B8R0.15 CCCC(CC)C(=O)O SC-82317 [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|1,0,0]=3 440 B8R0.20 COC(=O)C(CBr)CBr SC-45863 [0,2,0,0,0,0|2,0,0]=4 441 B8R0.37 CC(C)(C(=O)O)C(=O)O SC-15755 [0,2,0,0,0,0|1,0,1]=4 442 B8R0.27 CC(C)(C)C(N)C(=O)O SC-10341 [0,2,0,0,0,0|1,0,0]=3 443 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O SC-10342 [0,2,0,0,0,0|1,0,0]=3 444 B8R0.27 CC(C)(C)[C@H](N)C(=O)O SC-10343 [0,2,0,0,0,0|1,0,0]=3 445 B8R0.27 CC(C)(C)[C@H](N)C(N)=O SC-B0298 [0,2,0,0,0,0|2,0,0]=4 446 B8R0.27 CC(C)(S)C(N)C(=O)O SC-11163 [0,2,0,0,0,0|0,1,0]=3 447 B8R0.18 CC(C)[C@@H](CN)C(=O)O SC-A1205 [0,2,0,0,0,0|1,0,0]=3 448 B8R0.18 CC(C)[C@H](CN)C(=O)O SC-A1208 [0,2,0,0,0,0|1,0,0]=3 449 B8R0.18 CC(C)[C@H](CN)C(=O)O SC-A1209 [0,2,0,0,0,0|1,0,0]=3 450 B6R1.2 O=C1C=CCC1 SC-07348 [1,0,0,1,0,0|2,0,0]=4 451 B6R1.2 O=C1CCCN1 SC-85210 [1,0,0,1,0,0|2,0,0]=4 452 B6R1.2 O=C1CCNC1 SC-24328 [1,0,0,1,0,0|2,0,0]=4 453 B6R1.2 O=C1CCNC1 SC-50749 [1,0,0,1,0,0|2,0,0]=4 454 B6R1.2 O=C1CCNN1 SC-21405 [1,0,0,1,0,0|2,0,0]=4 455 B6R1.2 O=C1CCOC1 SC-21867 [1,0,0,1,0,0|1,0,0]=3 456 B6R1.2 O=C1NCCO1 SC-04833 [1,0,0,1,0,0|2,0,0]=4 457 B6R1.2 OC1=NNCC1 SC-23225 [1,0,0,1,0,0|2,0,0]=4 458 B6R1.2 OC1CCOC1 SC-17875 [1,0,0,1,0,0|1,0,1]=4 459 B6R1.2 O[C@@H]1CCOC1 SC-07022 [1,0,0,1,0,0|1,0,1]=4 460 B6R1.2 O[C@H]1CCOC1 SC-08982 [1,0,0,1,0,0|1,0,1]=4 461 B6R1.2 O[C@H]1CCOC1 SC-50082 [1,0,0,1,0,0|1,0,1]=4 462 B6R1.5 NC1CC(=O)C1 SC-50311 [1,0,0,1,0,0|2,0,0]=4 463 B6R1.5 NC1CC(=O)C1 SC-67476 [1,0,0,1,0,0|2,0,0]=4 464 B6R1.11 CC(=O)C1CC1 SC-17503 [1,0,0,1,0,0|2,0,0]=4 465 B6R1.11 NC(=O)C1CC1 SC-92415 [1,0,0,1,0,0|2,0,0]=4 466 B6R1.11 O=C(Cl)C1CC1 SC-19263 [1,0,0,1,0,0|2,0,0]=4 467 B6R1.11 O=C(O)C1CC1 SC-22620 [1,0,0,1,0,0|1,0,0]=3 468 B6R1.11 O=C(O)C1CO1 SC-83949 [1,0,0,1,0,0|0,0,0]=2 469 B6R1.6 O=CC1CCC1 SC-14218 [1,0,0,1,0,0|2,0,0]=4 470 B6R1.6 O=CC1COC1 SC-65750 [1,0,0,1,0,0|1,0,0]=3 471 B6R1.6 OCC1COC1 SC-48581 [1,0,0,1,0,0|1,0,1]=4 472 B6R1.7 NC1(CO)CC1 SC-21613 [1,0,0,1,0,0|1,0,1]=4 473 B6R1.7 NC1(CO)CC1 SC-52621 [1,0,0,1,0,0|1,0,1]=4 474 B8R1.1 O=C1CC(CO)CN1 SC-66045 [0,0,0,1,0,1|2,0,0]=4 475 B8R1.1 O=C1CC[C@@H](CO)N1 SC-09020 [0,0,0,1,0,1|2,0,0]=4 476 B8R1.1 O=C1CC[C@@H](CO)O1 SC-03496 [0,0,0,1,0,1|2,0,0]=4 477 B8R1.1 O=C1CC[C@H](CO)N1 SC-19648 [0,0,0,1,0,1|2,0,0]=4 478 B8R1.1 O=C1N[C@@H](CO)CO1 SC-33166 [0,0,0,1,0,1|1,0,0]=3 479 B8R1.4 C[C@H]1COCC(=O)N1 SC-82343 [0,0,0,1,0,1|2,0,0]=4 480 B8R1.18 CC1=CC(=O)OC1O SC-47793 [0,0,0,1,0,1|1,0,1]=4 481 B8R1.18 CC1OC(=O)OC1C SC-21491 [0,0,0,1,0,1|2,0,0]=4 482 B8R1.34 O=C(O)CC1CCC1 SC-26391 [0,0,0,1,0,1|2,0,0]=4 483 B8R1.34 O=C(O)CC1COC1 SC-70807 [0,0,0,1,0,1|1,0,0]=3 484 B8R1.5 NC1CCCCC1=O SC-22252 [0,1,0,1,0,0|2,0,0]=4 485 B8R1.5 NC1CCCCC1=O SC-84826 [0,1,0,1,0,0|2,0,0]=4 486 B8R1.5 NC1CCCNC1=O SC-14514 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.5 N[C@@H]1CCCNC1=O SC-48796 [0,1,0,1,0,0|2,0,0]=4 488 B8R1.5 N[C@@H]1COCC[C@H]1O SC-20565 [0,1,0,1,0,0|1,0,1]=4 489 B8R1.5 N[C@H]1CCCNC1=O SC-27263 [0,1,0,1,0,0|2,0,0]=4 490 B8R1.5 O=C1CCOCC1Br SC-33711 [0,1,0,1,0,0|2,0,0]=4 491 B8R1.7 NC(=O)C1CCCN1 SC-24789 [0,1,0,1,0,0|2,0,0]=4 492 B8R1.7 NC(=O)C1CCNC1 SC-A3191 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.7 NC(=O)[C@@H]1CCCN1 SC-06632 [0,1,0,1,0,0|2,0,0]=4 494 B8R1.7 O=C(O)C1CC=CC1 SC-25940 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.7 O=C(O)C1CCCC1 SC-18675 [0,1,0,1,0,0|2,0,0]=4 496 B8R1.7 O=C(O)C1CCCN1 SC-09807 [0,1,0,1,0,0|1,0,0]=3 497 B8R1.7 O=C(O)C1CCCO1 SC-A4307 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.7 O=C(O)C1CCOC1 SC-21248 [0,1,0,1,0,0|1,0,0]=3 499 B8R1.7 O=C(O)[C@@H]1CCCN1 SC-09806 [0,1,0,1,0,0|1,0,0]=3 500 B8R1.7 O=C(O)[C@@H]1CCNC1 SC-48463 [0,1,0,1,0,0|1,0,0]=3 501 B8R1.7 O=C(O)[C@@H]1CCOC1 SC-25192 [0,1,0,1,0,0|1,0,0]=3 502 B8R1.7 O=C(O)[C@@H]1CSCN1 SC-77532 [0,1,0,1,0,0|0,1,0]=3 503 B8R1.7 O=C(O)[C@H]1CCCN1 SC-09805 [0,1,0,1,0,0|1,0,0]=3 504 B8R1.7 O=C(O)[C@H]1CCCO1 SC-07092 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.7 O=C(O)[C@H]1CCNC1 SC-25206 [0,1,0,1,0,0|1,0,0]=3 506 B8R1.7 [C@H]1(C(=O)O)CCNC1 SC-48462 [0,1,0,1,0,0|1,0,0]=3 507 B8R1.7 [C@H]1(C(N)=O)CCCN1 SC-13550 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.19 CC1(C)CCOC1=O SC-15803 [0,1,0,1,0,0|2,0,0]=4 509 B8R1.23 C=C1CC(C(=O)O)C1 SC-20999 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.23 CC1CC(C(=O)O)C1 SC-73078 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.23 CN1CC(C(=O)O)C1 SC-49053 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.23 O=C(O)C1CC(F)C1 SC-26589 [0,1,0,1,0,0|2,0,0]=4 513 B8R1.23 O=C1CC(C(=O)O)C1 SC-14962 [0,1,0,1,0,0|1,0,1]=4 514 B8R1.54 NC(C(=O)O)C1CC1 SC-45627 [0,1,0,1,0,0|1,0,0]=3 515 B8R1.54 N[C@H](C(=O)O)C1CC1 SC-20216 [0,1,0,1,0,0|1,0,0]=3 516 B8R1.78 CC1(C(=O)O)CCC1 SC-25545 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.78 CC1(C(=O)O)COC1 SC-26457 [0,1,0,1,0,0|1,0,0]=3 518 B8R1.78 NC1(C(=O)O)CCC1 SC-21579 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.78 NC1(C(=O)O)CCC1 SC-25077 [0,1,0,1,0,0|1,0,0]=3 520 B8R1.78 NC1(C(=O)O)CCC1 SC-53797 [0,1,0,1,0,0|1,0,0]=3 521 B8R1.78 O=C(O)C1(Br)CCC1 SC-65747 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.38 COC(=O)C1CNC1 SC-12674 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.38 COC(=O)C1CNC1 SC-12778 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.39 COC(=O)C1(C)CC1 SC-94041 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.39 COC(=O)C1(C)CO1 SC-90627 [0,1,0,1,0,0|1,0,0]=3 526 B8R1.39 COC(=O)C1(N)CC1 SC-27643 [0,1,0,1,0,0|1,0,0]=3 527 B8R1.39 COC(=O)C1(N)CC1 SC-47489 [0,1,0,1,0,0|1,0,0]=3 528 B8R1.50 CN1CCC(N)C1=O SC-25143 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.63 N#CC1(C(=O)O)CC1 SC-38027 [0,1,0,1,0,0|1,0,1]=4 530 B8R1.77 O=C(O)C1CC1(F)F SC-82822 [0,1,0,1,0,0|2,0,0]=4 531 B8R0.9 C=CC(N)CCC(=O)O SC-82297 [0,0,0,0,0,2|1,0,1]=4