0 B5R0.5 C=C(C)C(N)=O SC-74591 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.5 C=C(F)C(=O)O SC-47473 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.5 CC(=O)C(=O)O SC-17382 [0,0,0,0,0,0|0,0,0]=0 3 B5R0.5 CC(=O)C(=O)[O-] SC-17414 [0,0,0,0,0,0|0,0,1]=1 4 B5R0.5 CC(=O)C(C)C SC-18478 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.5 CC(=O)C(C)Cl SC-46981 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.5 CC(=O)C(C)S SC-17208 [0,0,0,0,0,0|1,1,1]=3 7 B5R0.5 CC(=O)C(F)F SC-99156 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.5 CC(=O)N(C)C SC-54108 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.5 CC(Br)C(N)=O SC-97497 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.5 CC(C)B(O)O SC-66620 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.5 CC(C)C(=N)N SC-13079 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.5 CC(F)C(=O)O SC-83429 [0,0,0,0,0,0|1,0,1]=2 13 B5R0.5 CC(N)C(=O)O SC-09271 [0,0,0,0,0,0|1,0,1]=2 14 B5R0.5 CC(N)C(N)=O SC-94219 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.5 CC(O)C(=O)[O-] SC-19308 [0,0,0,0,0,0|0,0,3]=3 16 B5R0.5 CC(O)C(=O)[O-] SC-25623 [0,0,0,0,0,0|0,0,3]=3 17 B5R0.5 CC(O)C(=O)[O-] SC-75139 [0,0,0,0,0,0|0,0,3]=3 18 B5R0.5 CC(O)C(C)O SC-08971 [0,0,0,0,0,0|1,0,3]=4 19 B5R0.5 CC(O)C(C)O SC-08972 [0,0,0,0,0,0|1,0,3]=4 20 B5R0.5 CC(O)C(C)O SC-81338 [0,0,0,0,0,0|1,0,3]=4 21 B5R0.5 CC(S)C(=O)O SC-74563 [0,0,0,0,0,0|0,1,1]=2 22 B5R0.5 CN(C)C(=O)Cl SC-15201 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.5 CN(C)C(=S)Cl SC-15756 [0,0,0,0,0,0|3,1,0]=4 24 B5R0.5 CN(C)C(N)=S SC-A2077 [0,0,0,0,0,0|3,1,0]=4 25 B5R0.5 C[C@@H](Br)C(=O)O SC-08843 [0,0,0,0,0,0|1,0,1]=2 26 B5R0.5 C[C@@H](Cl)C(=O)O SC-06610 [0,0,0,0,0,0|1,0,1]=2 27 B5R0.5 C[C@@H](N)C(=O)O SC-09270 [0,0,0,0,0,0|1,0,1]=2 28 B5R0.5 C[C@@H](N)C(N)=O SC-09289 [0,0,0,0,0,0|2,0,1]=3 29 B5R0.5 C[C@@H](O)C(N)=O SC-92873 [0,0,0,0,0,0|1,0,2]=3 30 B5R0.5 C[C@H](Cl)C(=O)O SC-03218 [0,0,0,0,0,0|1,0,1]=2 31 B5R0.5 C[C@H](N)C(=O)O SC-09272 [0,0,0,0,0,0|1,0,1]=2 32 B5R0.5 C[C@H](N)C(N)=O SC-03542 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.5 C[C@H](O)C(N)=O SC-73228 [0,0,0,0,0,0|1,0,2]=3 34 B5R0.5 FC(F)=C(F)Cl SC-75512 [0,0,0,0,0,0|4,0,0]=4 35 B5R0.5 NC(=O)C(=O)[O-] SC-52623 [0,0,0,0,0,0|1,0,1]=2 36 B5R0.5 O=C(O)C(Cl)Cl SC-18205 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.5 O=C(O)C(F)Br SC-49620 [0,0,0,0,0,0|2,0,1]=3 38 B5R0.5 O=C(O)C(F)F SC-25529 [0,0,0,0,0,0|2,0,1]=3 39 B5R0.5 O=C([O-])C(=O)[O-] SC-18408 [0,0,0,0,0,0|1,0,1]=2 40 B5R0.5 O=C([O-])C(=O)[O-] SC-20134 [0,0,0,0,0,0|1,0,1]=2 41 B5R0.5 O=C([O-])C(=O)[O-] SC-74359 [0,0,0,0,0,0|1,0,1]=2 42 B5R0.5 O=C([O-])C(=O)[O-] SC-A2542 [0,0,0,0,0,0|1,0,1]=2 43 B5R0.5 O=C([O-])C(Cl)Cl SC-15953 [0,0,0,0,0,0|2,0,2]=4 44 B5R0.5 [2H]C(=O)N(C)C SC-97589 [0,0,0,0,0,0|3,0,0]=3 45 B5R0.5 [C@@H](C)(Br)C(=O)O SC-03475 [0,0,0,0,0,0|1,0,1]=2 46 B4R0.1 C#CC(=O)O SC-46968 [1,0,0,0,0,0|0,0,2]=3 47 B4R0.1 C=C(C)C=O SC-83411 [1,0,0,0,0,0|1,0,0]=2 48 B4R0.1 C=C(C)CBr SC-50158 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 C=C(C)CF SC-89300 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 C=C(C)CN SC-43404 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.1 C=C(C)CN SC-84159 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.1 C=CC(=O)[O-] SC-19971 [1,0,0,0,0,0|0,0,2]=3 53 B4R0.1 C=CC(C)O SC-43661 [1,0,0,0,0,0|1,0,2]=4 54 B4R0.1 C=C[C@H](C)N SC-67439 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 CC(=O)C#N SC-51001 [1,0,0,0,0,0|1,0,1]=3 56 B4R0.1 CC(=O)C=O SC-74380 [1,0,0,0,0,0|0,0,0]=1 57 B4R0.1 CC(=O)CBr SC-20936 [1,0,0,0,0,0|1,0,1]=3 58 B4R0.1 CC(=O)CN SC-28532 [1,0,0,0,0,0|1,0,1]=3 59 B4R0.1 CC(=O)CN SC-89750 [1,0,0,0,0,0|1,0,1]=3 60 B4R0.1 CC(=O)NO SC-18498 [1,0,0,0,0,0|1,0,0]=2 61 B4R0.1 CC(Br)CO SC-A3571 [1,0,0,0,0,0|1,0,2]=4 62 B4R0.1 CC(C)=CBr SC-52196 [1,0,0,0,0,0|2,0,0]=3 63 B4R0.1 CC(C)=NN SC-92874 [1,0,0,0,0,0|3,0,0]=4 64 B4R0.1 CC(C)=NO SC-25907 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.1 CC(C)NO SC-A3794 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.1 CC(N)CO SC-18397 [1,0,0,0,0,0|1,0,2]=4 67 B4R0.1 CCB(O)O SC-04516 [1,0,0,0,0,0|1,0,2]=4 68 B4R0.1 CCC(=N)N SC-53846 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 CCC(=O)O SC-22887 [1,0,0,0,0,0|0,0,1]=2 70 B4R0.1 CCC(=O)[O-] SC-47286 [1,0,0,0,0,0|0,0,2]=3 71 B4R0.1 CCC(C)O SC-01234 [1,0,0,0,0,0|1,0,2]=4 72 B4R0.1 CCC(N)=O SC-18213 [1,0,0,0,0,0|1,0,1]=3 73 B4R0.1 CCS(=O)[O-] SC-20356 [1,0,0,0,0,0|1,0,2]=4 74 B4R0.1 CC[C@H](C)O SC-04418 [1,0,0,0,0,0|1,0,2]=4 75 B4R0.1 CNC(=N)N SC-18775 [1,0,0,0,0,0|3,0,0]=4 76 B4R0.1 CNC(=N)N SC-78334 [1,0,0,0,0,0|3,0,0]=4 77 B4R0.1 CNC(N)=O SC-15862 [1,0,0,0,0,0|2,0,0]=3 78 B4R0.1 CSC(=N)N SC-97881 [1,0,0,0,0,0|3,0,0]=4 79 B4R0.1 C[C@@H](N)CO SC-03772 [1,0,0,0,0,0|1,0,2]=4 80 B4R0.1 C[C@@H](O)CO SC-04433 [1,0,0,0,0,0|0,0,3]=4 81 B4R0.1 C[C@H](Cl)CO SC-98590 [1,0,0,0,0,0|1,0,2]=4 82 B4R0.1 C[C@H](N)CO SC-03066 [1,0,0,0,0,0|1,0,2]=4 83 B4R0.1 C[C@H](O)CO SC-04434 [1,0,0,0,0,0|0,0,3]=4 84 B4R0.1 C\C(N)=N\O SC-29589 [1,0,0,0,0,0|2,0,0]=3 85 B4R0.1 C\C=C(\C)Br SC-91379 [1,0,0,0,0,0|2,0,0]=3 86 B4R0.1 N=C(N)CO SC-41719 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.1 N=C(N)CO SC-50460 [1,0,0,0,0,0|2,0,1]=4 88 B4R0.1 NC(=O)CBr SC-17752 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.1 NC(=O)CI SC-18913 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.1 NC(=O)NO SC-17803 [1,0,0,0,0,0|2,0,0]=3 91 B4R0.1 NCC(=O)O SC-26884 [1,0,0,0,0,0|1,0,1]=3 92 B4R0.1 NCC(N)=O SC-09567 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.1 NCC(N)=O SC-18427 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.1 NNC(N)=O SC-18463 [1,0,0,0,0,0|3,0,0]=4 95 B4R0.1 NNC(N)=O SC-47308 [1,0,0,0,0,0|3,0,0]=4 96 B4R0.1 O=C(Br)CBr SC-18428 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.1 O=C(Cl)CBr SC-49267 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.1 O=C(O)CBr SC-18211 [1,0,0,0,0,0|1,0,1]=3 99 B4R0.1 O=C(O)CO SC-23119 [1,0,0,0,0,0|0,0,2]=3 100 B4R0.1 O=C(O)CO SC-26092 [1,0,0,0,0,0|0,0,2]=3 101 B4R0.1 O=C([O-])CI SC-80290 [1,0,0,0,0,0|1,0,2]=4 102 B4R0.1 O=CC(=O)O SC-25819 [1,0,0,0,0,0|0,0,0]=1 103 B4R0.1 ON=C(Br)Br SC-48802 [1,0,0,0,0,0|3,0,0]=4 104 B6R0.3 C=C(Br)C(=O)OC SC-86871 [0,1,0,0,0,0|1,0,1]=3 105 B6R0.3 C=C(C#N)C(=O)O SC-66090 [0,1,0,0,0,0|1,0,1]=3 106 B6R0.3 C=C(Cl)C(=O)OC SC-97454 [0,1,0,0,0,0|1,0,1]=3 107 B6R0.3 C=C(F)C(=O)OC SC-44271 [0,1,0,0,0,0|1,0,1]=3 108 B6R0.3 C=CC(C)C(=O)O SC-65769 [0,1,0,0,0,0|1,0,1]=3 109 B6R0.3 C=C[C@H](N)C(=O)O SC-99216 [0,1,0,0,0,0|1,0,2]=4 110 B6R0.3 CC(C#N)C(=O)O SC-65741 [0,1,0,0,0,0|1,0,1]=3 111 B6R0.3 CC(C)C(=N)NO SC-29781 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.3 CC(C)C(=O)CBr SC-21776 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.3 CC(C)C(=O)NN SC-82184 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.3 CC(CBr)C(=O)O SC-53016 [0,1,0,0,0,0|1,0,1]=3 115 B6R0.3 CC(CN)C(=O)O SC-10095 [0,1,0,0,0,0|1,0,1]=3 116 B6R0.3 CC(CN)C(=O)O SC-16443 [0,1,0,0,0,0|1,0,1]=3 117 B6R0.3 CCC(F)C(=O)O SC-82839 [0,1,0,0,0,0|1,0,1]=3 118 B6R0.3 CCC(N)C(=O)O SC-25570 [0,1,0,0,0,0|1,0,1]=3 119 B6R0.3 CCC(N)C(N)=O SC-67619 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.3 CCC(S)C(=O)O SC-90417 [0,1,0,0,0,0|0,1,1]=3 121 B6R0.3 CCN(O)C(C)=O SC-69302 [0,1,0,0,0,0|2,0,0]=3 122 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [0,1,0,0,0,0|1,0,1]=3 123 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [0,1,0,0,0,0|1,0,1]=3 124 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [0,1,0,0,0,0|0,0,2]=3 125 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [0,1,0,0,0,0|1,0,1]=3 126 B6R0.3 CC[C@H](N)C(N)=O SC-15825 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.3 CN(C)C(=O)CCl SC-25918 [0,1,0,0,0,0|3,0,0]=4 128 B6R0.3 CN(C)C(=O)CN SC-26411 [0,1,0,0,0,0|3,0,0]=4 129 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [0,1,0,0,0,0|1,0,1]=3 130 B6R0.3 COC(=O)C(=N)N SC-33258 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.3 COC(=O)C(=O)Cl SC-27409 [0,1,0,0,0,0|1,0,0]=2 132 B6R0.3 COC(=O)C(C)=O SC-15233 [0,1,0,0,0,0|0,0,0]=1 133 B6R0.3 COC(=O)C(C)Cl SC-18837 [0,1,0,0,0,0|1,0,1]=3 134 B6R0.3 COC(=O)C(C)N SC-09296 [0,1,0,0,0,0|1,0,1]=3 135 B6R0.3 COC(=O)C(C)N SC-54087 [0,1,0,0,0,0|1,0,1]=3 136 B6R0.3 COC(=O)C(C)O SC-01713 [0,1,0,0,0,0|0,0,2]=3 137 B6R0.3 COC(=O)[C@H](C)Cl SC-06555 [0,1,0,0,0,0|1,0,1]=3 138 B6R0.3 COC(=O)[C@H](C)N SC-09297 [0,1,0,0,0,0|1,0,1]=3 139 B6R0.3 COC(C)C(=O)O SC-49776 [0,1,0,0,0,0|0,0,2]=3 140 B6R0.3 CON(C)C(C)=O SC-20924 [0,1,0,0,0,0|2,0,0]=3 141 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [0,1,0,0,0,0|0,0,2]=3 142 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [0,1,0,0,0,0|0,0,2]=3 143 B6R0.3 C[C@@H](CN)C(=O)O SC-69436 [0,1,0,0,0,0|1,0,1]=3 144 B6R0.3 C[C@H](CN)C(=O)O SC-90232 [0,1,0,0,0,0|1,0,1]=3 145 B6R0.3 C[C@H](CN)C(=O)O SC-A1203 [0,1,0,0,0,0|1,0,1]=3 146 B6R0.3 NC(=O)[C@@H](N)CO SC-09855 [0,1,0,0,0,0|2,0,1]=4 147 B6R0.3 NC(CO)C(=O)O SC-09828 [0,1,0,0,0,0|1,0,1]=3 148 B6R0.3 NC(CS)C(=O)O SC-16429 [0,1,0,0,0,0|1,0,1]=3 149 B6R0.3 NCC(N)C(=O)O SC-12518 [0,1,0,0,0,0|1,0,1]=3 150 B6R0.3 NCC(N)C(=O)O SC-26817 [0,1,0,0,0,0|1,0,1]=3 151 B6R0.3 NCC(O)C(=O)O SC-10335 [0,1,0,0,0,0|0,0,2]=3 152 B6R0.3 NC[C@@H](N)C(=O)O SC-10203 [0,1,0,0,0,0|1,0,1]=3 153 B6R0.3 N[C@@H](CO)C(=O)O SC-09827 [0,1,0,0,0,0|1,0,1]=3 154 B6R0.3 N[C@@H](CS)C(=O)O SC-45550 [0,1,0,0,0,0|1,0,1]=3 155 B6R0.3 N[C@H](CO)C(=O)O SC-09826 [0,1,0,0,0,0|1,0,1]=3 156 B6R0.3 O=C(CCl)C(Cl)Cl SC-22403 [0,1,0,0,0,0|2,0,1]=4 157 B6R0.3 O=C(Cl)C(Br)CBr SC-76209 [0,1,0,0,0,0|2,0,1]=4 158 B6R0.3 O=C(O)C(=O)CBr SC-15238 [0,1,0,0,0,0|0,0,0]=1 159 B6R0.3 O=C(O)C(Br)CBr SC-26969 [0,1,0,0,0,0|1,0,1]=3 160 B6R0.3 O=C(O)C(O)CCl SC-83865 [0,1,0,0,0,0|0,0,2]=3 161 B6R0.3 [C@@H](N)(CC)C(N)=O SC-49088 [0,1,0,0,0,0|2,0,1]=4 162 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09427 [0,1,0,0,0,0|1,0,1]=3 163 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09430 [0,1,0,0,0,0|1,0,1]=3 164 B6R0.3 [C@H](N)(CS)C(=O)O SC-09426 [0,1,0,0,0,0|1,0,1]=3 165 B6R0.7 CC(=O)C(C)(C)Br SC-94430 [0,1,0,0,0,0|2,0,1]=4 166 B6R0.7 CC(=O)C(C)(C)C SC-18255 [0,1,0,0,0,0|2,0,1]=4 167 B6R0.7 CC(=O)C(C)(C)O SC-68565 [0,1,0,0,0,0|1,0,1]=3 168 B6R0.7 CC(C)(Br)C(=O)O SC-76089 [0,1,0,0,0,0|1,0,1]=3 169 B6R0.7 CC(C)(Br)C(N)=O SC-97499 [0,1,0,0,0,0|2,0,1]=4 170 B6R0.7 CC(C)(C)C(=O)[O-] SC-91732 [0,1,0,0,0,0|1,0,2]=4 171 B6R0.7 CC(C)(C)C(N)=O SC-68560 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.7 CC(C)(Cl)C(=O)Cl SC-72836 [0,1,0,0,0,0|2,0,1]=4 173 B6R0.7 CC(C)(N)C(=O)O SC-25938 [0,1,0,0,0,0|1,0,1]=3 174 B6R0.7 CC(C)(N)C(N)=O SC-43988 [0,1,0,0,0,0|2,0,1]=4 175 B6R0.7 CC(C)(O)C(=O)[O-] SC-08910 [0,1,0,0,0,0|0,0,3]=4 176 B6R0.7 CC(F)(F)C(=O)O SC-91857 [0,1,0,0,0,0|1,0,1]=3 177 B6R0.7 O=C(O)C(F)(F)Br SC-16754 [0,1,0,0,0,0|2,0,1]=4 178 B6R0.7 O=C(O)C(F)(F)Cl SC-17398 [0,1,0,0,0,0|2,0,1]=4 179 B6R0.7 O=C([O-])P(=O)([O-])[O-] SC-83372 [0,1,0,0,0,0|2,0,1]=4 180 B6R1.11 CC(=O)C1CC1 SC-17503 [0,0,0,1,0,0|2,0,1]=4 181 B6R1.11 NC(=O)C1CC1 SC-92415 [0,0,0,1,0,0|2,0,1]=4 182 B6R1.11 O=C(Cl)C1CC1 SC-19263 [0,0,0,1,0,0|2,0,1]=4 183 B6R1.11 O=C(O)C1CC1 SC-22620 [0,0,0,1,0,0|1,0,1]=3 184 B6R1.11 O=C(O)C1CO1 SC-83949 [0,0,0,1,0,0|0,0,2]=3 185 B6R0.2 CC(=O)CC(C)=O SC-77723 [0,0,0,0,0,1|1,0,0]=2 186 B6R0.2 CC(=O)NC(=N)N SC-45115 [0,0,0,0,0,1|2,0,0]=3 187 B6R0.2 CC(=O)NC(C)C SC-A3057 [0,0,0,0,0,1|2,0,1]=4 188 B6R0.2 CC(=O)OC(C)C SC-25616 [0,0,0,0,0,1|2,0,1]=4 189 B6R0.2 CC(=O)\C=C(\C)N SC-89382 [0,0,0,0,0,1|2,0,0]=3 190 B6R0.2 CC(=O)\C=C(\C)O SC-20333 [0,0,0,0,0,1|1,0,0]=2 191 B6R0.2 CC(=O)\C=C(\C)O SC-67757 [0,0,0,0,0,1|1,0,0]=2 192 B6R0.2 CC(=O)\C=C(\C)[O-] SC-19412 [0,0,0,0,0,1|1,0,1]=3 193 B6R0.2 CC(C)=CC(=O)Cl SC-17934 [0,0,0,0,0,1|2,0,0]=3 194 B6R0.2 CC(C)=CC(=O)O SC-16257 [0,0,0,0,0,1|1,0,0]=2 195 B6R0.2 CC(Cl)OC(=O)Cl SC-13624 [0,0,0,0,0,1|2,0,1]=4 196 B6R0.2 CN(C)CC(N)=O SC-89197 [0,0,0,0,0,1|3,0,0]=4 197 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [0,0,0,0,0,1|1,0,1]=3 198 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [0,0,0,0,0,1|1,0,1]=3 199 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [0,0,0,0,0,1|1,0,1]=3 200 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [0,0,0,0,0,1|0,0,2]=3 201 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [0,0,0,0,0,1|2,0,1]=4 202 B6R0.2 O=C(Cl)CC(=O)Cl SC-98168 [0,0,0,0,0,1|2,0,0]=3 203 B6R0.2 O=C([O-])CC(=O)[O-] SC-94719 [0,0,0,0,0,1|1,0,1]=3 204 B3R0.1 Br\C=C\Br SC-73800 [2,0,0,0,0,0|2,0,0]=4 205 B3R0.1 C=C[CH-]C SC-90438 [2,0,0,0,0,0|1,0,1]=4 206 B3R0.1 CCNO SC-82856 [2,0,0,0,0,0|1,0,1]=4 207 B3R0.1 C\C=C\Br SC-50117 [2,0,0,0,0,0|1,0,0]=3 208 B3R0.1 C\C=N\O SC-16388 [2,0,0,0,0,0|1,0,0]=3 209 B3R0.1 NNC=O SC-22540 [2,0,0,0,0,0|2,0,0]=4 210 B3R0.2 C=C(C)[Mg+] SC-70280 [2,0,0,0,0,0|1,0,0]=3 211 B3R0.2 CB(O)O SC-00749 [2,0,0,0,0,0|1,0,1]=4 212 B3R0.2 CC(=N)N SC-19002 [2,0,0,0,0,0|2,0,0]=4 213 B3R0.2 CC(=O)O SC-16774 [2,0,0,0,0,0|0,0,0]=2 214 B3R0.2 CC(=O)O SC-27909 [2,0,0,0,0,0|0,0,0]=2 215 B3R0.2 CC(=O)[O-] SC-03583 [2,0,0,0,0,0|0,0,1]=3 216 B3R0.2 CC(=O)[O-] SC-12688 [2,0,0,0,0,0|0,0,1]=3 217 B3R0.2 CC(=O)[O-] SC-18918 [2,0,0,0,0,0|0,0,1]=3 218 B3R0.2 CC(=O)[O-] SC-18995 [2,0,0,0,0,0|0,0,1]=3 219 B3R0.2 CC(=O)[O-] SC-26584 [2,0,0,0,0,0|0,0,1]=3 220 B3R0.2 CC(=O)[O-] SC-46842 [2,0,0,0,0,0|0,0,1]=3 221 B3R0.2 CC(=O)[O-] SC-81401 [2,0,0,0,0,0|0,0,1]=3 222 B3R0.2 CC(=O)[O-] SC-88396 [2,0,0,0,0,0|0,0,1]=3 223 B3R0.2 CC(=O)[O-] SC-93306 [2,0,0,0,0,0|0,0,1]=3 224 B3R0.2 CC(N)=O SC-18410 [2,0,0,0,0,0|1,0,0]=3 225 B3R0.2 CC(N)=S SC-17261 [2,0,0,0,0,0|1,1,0]=4 226 B3R0.2 CC([O-])=S SC-15916 [2,0,0,0,0,0|0,1,1]=4 227 B3R0.2 CS(=O)[O-] SC-19511 [2,0,0,0,0,0|1,0,1]=4 228 B3R0.2 C[PH](C)=O SC-72909 [2,0,0,0,0,0|1,0,1]=4 229 B3R0.2 NC(N)=O SC-75453 [2,0,0,0,0,0|2,0,0]=4 230 B3R0.2 NC(N)=O SC-81784 [2,0,0,0,0,0|2,0,0]=4 231 B3R0.2 O=C(O)O SC-18529 [2,0,0,0,0,0|0,0,1]=3 232 B3R0.2 O=C([O-])O SC-80213 [2,0,0,0,0,0|0,0,1]=3 233 B3R0.2 O=C([O-])[O-] SC-97647 [2,0,0,0,0,0|0,0,2]=4 234 B3R0.2 O=P(=O)[O-] SC-79336 [2,0,0,0,0,0|1,0,1]=4 235 B3R0.2 O=[V](=O)[O-] SC-53201 [2,0,0,0,0,0|1,0,1]=4 236 B5R0.1 C#CCC(=O)O SC-40344 [1,1,0,0,0,0|0,0,2]=4 237 B5R0.1 C=CCC(=O)O SC-49093 [1,1,0,0,0,0|0,0,1]=3 238 B5R0.1 C=COC(C)=O SC-79059 [1,1,0,0,0,0|1,0,0]=3 239 B5R0.1 CC#CC(=O)O SC-76460 [1,1,0,0,0,0|0,0,1]=3 240 B5R0.1 CC(=O)CC#N SC-26510 [1,1,0,0,0,0|1,0,1]=4 241 B5R0.1 CC(=O)CCCl SC-21586 [1,1,0,0,0,0|1,0,1]=4 242 B5R0.1 CC(=O)CCO SC-65678 [1,1,0,0,0,0|0,0,1]=3 243 B5R0.1 CC(=O)OCBr SC-44237 [1,1,0,0,0,0|1,0,1]=4 244 B5R0.1 CC(=O)\C=N/O SC-89466 [1,1,0,0,0,0|0,0,0]=2 245 B5R0.1 CC(=O)\C=N\O SC-68143 [1,1,0,0,0,0|0,0,0]=2 246 B5R0.1 CC(C)=CC#N SC-47932 [1,1,0,0,0,0|2,0,0]=4 247 B5R0.1 CC(C)=CC=O SC-00290 [1,1,0,0,0,0|1,0,0]=3 248 B5R0.1 CC(C)=CCBr SC-13678 [1,1,0,0,0,0|2,0,0]=4 249 B5R0.1 CC(C)=CCN SC-51952 [1,1,0,0,0,0|2,0,0]=4 250 B5R0.1 CC(C)=CCO SC-77150 [1,1,0,0,0,0|1,0,0]=3 251 B5R0.1 CCCC(=O)Cl SC-18924 [1,1,0,0,0,0|1,0,1]=4 252 B5R0.1 CCCC(=O)[O-] SC-15718 [1,1,0,0,0,0|0,0,2]=4 253 B5R0.1 CCCC(N)=O SC-46377 [1,1,0,0,0,0|1,0,1]=4 254 B5R0.1 CCOC(N)=O SC-16133 [1,1,0,0,0,0|1,0,1]=4 255 B5R0.1 CN(C)CC=O SC-51643 [1,1,0,0,0,0|2,0,0]=4 256 B5R0.1 CNCC(=O)O SC-10425 [1,1,0,0,0,0|0,0,1]=3 257 B5R0.1 CNCC(N)=O SC-10429 [1,1,0,0,0,0|1,0,1]=4 258 B5R0.1 COCC(=O)Cl SC-27381 [1,1,0,0,0,0|1,0,1]=4 259 B5R0.1 CSNC(C)=O SC-28667 [1,1,0,0,0,0|1,1,0]=4 260 B5R0.1 C\C=C/C(=O)O SC-25924 [1,1,0,0,0,0|0,0,0]=2 261 B5R0.1 C\C=C/C(C)=O SC-48085 [1,1,0,0,0,0|1,0,0]=3 262 B5R0.1 C\C=C\B(O)O SC-15014 [1,1,0,0,0,0|1,0,1]=4 263 B5R0.1 C\C=C\C(=O)Cl SC-16256 [1,1,0,0,0,0|1,0,0]=3 264 B5R0.1 N#CCC(=O)O SC-18648 [1,1,0,0,0,0|0,0,2]=4 265 B5R0.1 NCCC(=O)O SC-10014 [1,1,0,0,0,0|0,0,1]=3 266 B5R0.1 NCCC(N)=O SC-48688 [1,1,0,0,0,0|1,0,1]=4 267 B5R0.1 NCCC(N)=O SC-84499 [1,1,0,0,0,0|1,0,1]=4 268 B5R0.1 O=C(Cl)CCCl SC-16310 [1,1,0,0,0,0|1,0,1]=4 269 B5R0.1 O=C(O)CCBr SC-18441 [1,1,0,0,0,0|0,0,1]=3 270 B5R0.1 O=C(O)CCS SC-22642 [1,1,0,0,0,0|0,0,1]=3 271 B5R0.3 C#CC(=O)OC SC-27849 [1,1,0,0,0,0|0,0,2]=4 272 B5R0.3 C=C(CO)CO SC-17984 [1,1,0,0,0,0|1,0,1]=4 273 B5R0.3 CCC(=O)NN SC-25039 [1,1,0,0,0,0|1,0,1]=4 274 B5R0.3 CC\C(N)=N\O SC-28960 [1,1,0,0,0,0|1,0,1]=4 275 B5R0.3 CNC(=O)CBr SC-27946 [1,1,0,0,0,0|1,0,1]=4 276 B5R0.3 CNC(=O)CN SC-47802 [1,1,0,0,0,0|1,0,1]=4 277 B5R0.3 CNC(=O)OC SC-97890 [1,1,0,0,0,0|1,0,0]=3 278 B5R0.3 COC(=O)C#N SC-49091 [1,1,0,0,0,0|1,0,1]=4 279 B5R0.3 COC(=O)CBr SC-15855 [1,1,0,0,0,0|1,0,1]=4 280 B5R0.3 COC(=O)CN SC-09571 [1,1,0,0,0,0|1,0,1]=4 281 B5R0.3 COC(=O)CN SC-49390 [1,1,0,0,0,0|1,0,1]=4 282 B5R0.3 COC(=O)CO SC-28291 [1,1,0,0,0,0|0,0,1]=3 283 B5R0.3 COC(=O)CS SC-54102 [1,1,0,0,0,0|0,1,1]=4 284 B5R0.3 COS(=O)OC SC-25522 [1,1,0,0,0,0|2,0,0]=4 285 B5R0.3 NNC(=O)CO SC-83204 [1,1,0,0,0,0|1,0,1]=4 286 B5R0.3 O=C(CBr)CBr SC-99341 [1,1,0,0,0,0|1,0,1]=4 287 B5R0.3 O=C(CO)CO SC-07450 [1,1,0,0,0,0|0,0,1]=3 288 B5R0.3 O=CC(Br)C=O SC-24696 [1,1,0,0,0,0|1,0,1]=4 289 B5R0.3 O=CC(Cl)C=O SC-43728 [1,1,0,0,0,0|1,0,1]=4 290 B5R0.3 O=CC(O)CO SC-04830 [1,1,0,0,0,0|0,0,2]=4 291 B5R0.4 C=CS(C)(=O)=O SC-A3249 [1,1,0,0,0,0|2,0,0]=4 292 B5R0.4 CC(C)(C)C=O SC-05938 [1,1,0,0,0,0|1,0,1]=4 293 B5R0.4 CCS(=O)(=O)O SC-46368 [1,1,0,0,0,0|1,0,1]=4 294 B7R0.2 C=C(C#N)OC(C)=O SC-94135 [0,1,0,0,0,1|2,0,0]=4 295 B7R0.2 CCC(C)CC(=O)O SC-19132 [0,1,0,0,0,1|1,0,1]=4 296 B7R0.2 CCC(N)CC(=O)O SC-59260 [0,1,0,0,0,1|1,0,1]=4 297 B7R0.2 CCC(O)CC(C)=O SC-92943 [0,1,0,0,0,1|1,0,1]=4 298 B7R0.2 COC(=O)CC(=O)Cl SC-16087 [0,1,0,0,0,1|1,0,0]=3 299 B7R0.2 COC(=O)CC(=O)O SC-21351 [0,1,0,0,0,1|0,0,0]=2 300 B7R0.2 COC(=O)CC(C)Br SC-67097 [0,1,0,0,0,1|1,0,1]=4 301 B7R0.2 COC(=O)C[C@@H](C)N SC-88822 [0,1,0,0,0,1|1,0,1]=4 302 B7R0.2 COC(=O)C[C@@H](C)N SC-A1096 [0,1,0,0,0,1|1,0,1]=4 303 B7R0.2 COC(=O)C[N+](=O)[O-] SC-21869 [0,1,0,0,0,1|1,0,1]=4 304 B7R0.2 NCC(O)CC(=O)O SC-50844 [0,1,0,0,0,1|0,0,2]=4 305 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [0,1,0,0,0,1|1,0,1]=4 306 B7R0.9 CC(C)(N)CC(=O)O SC-43668 [0,1,0,0,0,1|1,0,1]=4 307 B7R0.9 CS(=O)(=O)CC(=O)O SC-23267 [0,1,0,0,0,1|1,0,0]=3 308 B7R0.16 CC(C(=O)O)C(=O)O SC-16059 [0,1,0,0,0,1|1,0,0]=3 309 B7R0.16 CC(C)C(=O)C(=O)O SC-27422 [0,1,0,0,0,1|1,0,1]=4 310 B7R0.16 CC(C)C(Br)C(=O)O SC-26681 [0,1,0,0,0,1|1,0,1]=4 311 B7R0.16 CC(C)C(N)C(=O)O SC-09983 [0,1,0,0,0,1|1,0,1]=4 312 B7R0.16 CC(C)C(N)C(=O)O SC-09984 [0,1,0,0,0,1|1,0,1]=4 313 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [0,1,0,0,0,1|1,0,1]=4 314 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [0,1,0,0,0,1|1,0,1]=4 315 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [0,1,0,0,0,1|1,0,1]=4 316 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [0,1,0,0,0,1|0,0,2]=4 317 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [0,1,0,0,0,1|0,0,2]=4 318 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [0,1,0,0,0,1|0,0,2]=4 319 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [0,1,0,0,0,1|0,0,2]=4 320 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [0,1,0,0,0,1|0,0,2]=4 321 B7R0.16 NC(=O)C(N)C(N)=O SC-47934 [0,1,0,0,0,1|2,0,0]=4 322 B7R0.16 NC(C(=O)O)C(=O)O SC-10105 [0,1,0,0,0,1|1,0,0]=3 323 B7R0.16 O=C(O)C(O)C(=O)O SC-70695 [0,1,0,0,0,1|1,0,0]=3 324 B7R0.5 C#CC[C@@H](N)C(=O)O SC-A2980 [0,2,0,0,0,0|1,0,1]=4 325 B7R0.5 C=CCC(N)C(=O)O SC-10030 [0,2,0,0,0,0|1,0,1]=4 326 B7R0.5 C=CCC(N)C(=O)O SC-10031 [0,2,0,0,0,0|1,0,1]=4 327 B7R0.5 C=CCC(N)C(=O)O SC-10032 [0,2,0,0,0,0|1,0,1]=4 328 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [0,2,0,0,0,0|1,0,1]=4 329 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [0,2,0,0,0,0|1,0,1]=4 330 B7R0.5 CC(C)C(=O)OCCl SC-92989 [0,2,0,0,0,0|1,0,1]=4 331 B7R0.5 CCCC(Br)C(=O)O SC-27020 [0,2,0,0,0,0|1,0,1]=4 332 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [0,2,0,0,0,0|1,0,1]=4 333 B7R0.5 CCNC(=O)[C@H](C)O SC-12514 [0,2,0,0,0,0|1,0,1]=4 334 B7R0.5 CCOC(=O)C(=N)N SC-32236 [0,2,0,0,0,0|2,0,0]=4 335 B7R0.5 CCOC(=O)C(=O)Cl SC-26882 [0,2,0,0,0,0|1,0,0]=3 336 B7R0.5 CCOC(=O)C(=O)O SC-26569 [0,2,0,0,0,0|0,0,0]=2 337 B7R0.5 CCOC(=O)C(=O)[O-] SC-73549 [0,2,0,0,0,0|0,0,1]=3 338 B7R0.5 CCOC(=O)C(C)=O SC-15232 [0,2,0,0,0,0|0,0,0]=2 339 B7R0.5 CCOC(=O)C(C)Br SC-27136 [0,2,0,0,0,0|1,0,1]=4 340 B7R0.5 CCOC(=O)C(C)Cl SC-13657 [0,2,0,0,0,0|1,0,1]=4 341 B7R0.5 CCOC(=O)C(C)F SC-75945 [0,2,0,0,0,0|1,0,1]=4 342 B7R0.5 CCOC(=O)C(C)N SC-09294 [0,2,0,0,0,0|1,0,1]=4 343 B7R0.5 CCOC(=O)C(C)N SC-13100 [0,2,0,0,0,0|1,0,1]=4 344 B7R0.5 CCOC(=O)C(C)N SC-15274 [0,2,0,0,0,0|1,0,1]=4 345 B7R0.5 CCOC(=O)C(N)=S SC-23134 [0,2,0,0,0,0|1,1,0]=4 346 B7R0.5 CCOC(=O)N(C)C SC-88157 [0,2,0,0,0,0|2,0,0]=4 347 B7R0.5 CCOC(=O)[C@@H](C)O SC-15791 [0,2,0,0,0,0|0,0,2]=4 348 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [0,2,0,0,0,0|1,0,1]=4 349 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [0,2,0,0,0,0|1,0,1]=4 350 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [0,2,0,0,0,0|1,0,1]=4 351 B7R0.5 NC(CCO)C(=O)O SC-10290 [0,2,0,0,0,0|1,0,1]=4 352 B7R0.5 NCCC(N)C(=O)O SC-10146 [0,2,0,0,0,0|1,0,1]=4 353 B7R0.5 NCCC(N)C(=O)O SC-20723 [0,2,0,0,0,0|1,0,1]=4 354 B7R0.5 NCCC(N)C(=O)O SC-23452 [0,2,0,0,0,0|1,0,1]=4 355 B7R0.5 NCCC(N)C(=O)O SC-25055 [0,2,0,0,0,0|1,0,1]=4 356 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [0,2,0,0,0,0|1,0,1]=4 357 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [0,2,0,0,0,0|1,0,1]=4 358 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [0,2,0,0,0,0|1,0,1]=4 359 B7R0.10 C=C(CO)C(=O)OC SC-53992 [0,2,0,0,0,0|1,0,0]=3 360 B7R0.10 CC[C@@H](O)C(=O)OC SC-49455 [0,2,0,0,0,0|0,0,2]=4 361 B7R0.10 CC[C@H](N)C(=O)OC SC-33322 [0,2,0,0,0,0|1,0,1]=4 362 B7R0.10 CC[C@H](N)C(=O)OC SC-91370 [0,2,0,0,0,0|1,0,1]=4 363 B7R0.10 CNC(C)C(=O)OC SC-82127 [0,2,0,0,0,0|1,0,1]=4 364 B7R0.10 CN[C@@H](C)C(=O)OC SC-84501 [0,2,0,0,0,0|1,0,1]=4 365 B7R0.10 COC(=O)C(=O)CBr SC-15244 [0,2,0,0,0,0|0,0,0]=2 366 B7R0.10 COC(=O)C(Br)CO SC-87315 [0,2,0,0,0,0|1,0,1]=4 367 B7R0.10 COC(=O)C(Br)SC SC-83274 [0,2,0,0,0,0|1,0,1]=4 368 B7R0.10 COC(=O)C(C)CN SC-53925 [0,2,0,0,0,0|1,0,1]=4 369 B7R0.10 COC(=O)C(C)CO SC-08906 [0,2,0,0,0,0|0,0,2]=4 370 B7R0.10 COC(=O)C(C)CO SC-08907 [0,2,0,0,0,0|0,0,2]=4 371 B7R0.10 COC(=O)C(C)OC SC-92649 [0,2,0,0,0,0|0,0,2]=4 372 B7R0.10 COC(=O)C(Cl)C=O SC-53173 [0,2,0,0,0,0|1,0,1]=4 373 B7R0.10 COC(=O)C(Cl)CCl SC-48264 [0,2,0,0,0,0|1,0,1]=4 374 B7R0.10 COC(=O)C(N)CO SC-09862 [0,2,0,0,0,0|1,0,1]=4 375 B7R0.10 COC(=O)C(N)CO SC-51728 [0,2,0,0,0,0|1,0,1]=4 376 B7R0.10 COC(=O)[C@@H](C)CBr SC-08853 [0,2,0,0,0,0|1,0,1]=4 377 B7R0.10 COC(=O)[C@@H](N)CS SC-22400 [0,2,0,0,0,0|1,0,1]=4 378 B7R0.10 COC(=O)[C@@H](O)CO SC-44674 [0,2,0,0,0,0|0,0,2]=4 379 B7R0.10 COC(=O)[C@H](N)CCl SC-44813 [0,2,0,0,0,0|1,0,1]=4 380 B7R0.10 COC(=O)[C@H](N)CO SC-21448 [0,2,0,0,0,0|1,0,1]=4 381 B7R0.10 COC(=O)[C@H](N)CS SC-95830 [0,2,0,0,0,0|1,0,1]=4 382 B7R0.10 CON(C)C(=O)CCl SC-21890 [0,2,0,0,0,0|2,0,0]=4 383 B7R0.10 CON(C)C(=O)CF SC-14324 [0,2,0,0,0,0|2,0,0]=4 384 B7R0.10 C\C=C(/Br)C(=O)OC SC-89362 [0,2,0,0,0,0|1,0,0]=3 385 B7R0.13 C#CC(C)(C)C(=O)O SC-12019 [0,2,0,0,0,0|1,0,1]=4 386 B7R0.13 C=CC(C)(C)C(=O)O SC-72463 [0,2,0,0,0,0|1,0,1]=4 387 B7R0.13 CC(C)(C#N)C(=O)O SC-65742 [0,2,0,0,0,0|1,0,1]=4 388 B7R0.13 CC(C)(CF)C(=O)O SC-91781 [0,2,0,0,0,0|1,0,1]=4 389 B7R0.13 CCC(F)(F)C(=O)O SC-06365 [0,2,0,0,0,0|1,0,1]=4 390 B7R0.13 CC[C@](C)(N)C(=O)O SC-85117 [0,2,0,0,0,0|1,0,1]=4 391 B7R0.13 COC(C)(C)C(=O)O SC-49777 [0,2,0,0,0,0|0,0,2]=4 392 B7R0.13 C[C@@](N)(CS)C(=O)O SC-48129 [0,2,0,0,0,0|0,1,1]=4 393 B7R0.14 COC(=O)C(C)(C)Br SC-13472 [0,2,0,0,0,0|1,0,1]=4 394 B7R0.14 COC(=O)C(C)(C)F SC-27575 [0,2,0,0,0,0|1,0,1]=4 395 B7R0.14 COC(=O)C(C)(C)N SC-53222 [0,2,0,0,0,0|1,0,1]=4 396 B7R0.15 CNC(CO)C(=O)O SC-26706 [0,2,0,0,0,0|0,0,2]=4 397 B7R0.15 COC(OC)C(C)=O SC-05972 [0,2,0,0,0,0|0,0,2]=4 398 B7R0.15 O=C(O)C(CBr)CBr SC-16780 [0,2,0,0,0,0|1,0,1]=4 399 B7R0.15 O=C(O)C(CF)CF SC-41163 [0,2,0,0,0,0|1,0,1]=4 400 B7R0.15 [C@@H](CO)(NC)C(=O)O SC-20914 [0,2,0,0,0,0|0,0,2]=4 401 B5R1.2 O=C1CCC1 SC-00523 [1,0,0,1,0,0|1,0,1]=4 402 B5R1.2 O=C1CCN1 SC-44172 [1,0,0,1,0,0|1,0,1]=4 403 B5R1.2 O=C1CNC1 SC-48283 [1,0,0,1,0,0|1,0,1]=4 404 B5R1.2 O=C1COC1 SC-21889 [1,0,0,1,0,0|0,0,1]=3 405 B5R1.3 O=CC1CC1 SC-18902 [1,0,0,1,0,0|1,0,1]=4 406 B7R1.2 CC1=CC(=O)CC1 SC-18727 [0,0,0,1,0,1|2,0,0]=4 407 B7R1.2 CC1=CC(=O)OC1 SC-25541 [0,0,0,1,0,1|1,0,0]=3 408 B7R1.2 CC1=CC(C)=NO1 SC-03263 [0,0,0,1,0,1|2,0,0]=4 409 B7R1.2 CC1=CC(O)=NO1 SC-00002 [0,0,0,1,0,1|1,0,1]=4 410 B7R1.2 CC1=COC(N)=N1 SC-44401 [0,0,0,1,0,1|2,0,0]=4 411 B7R1.2 CC1=NOC(N)=C1 SC-86759 [0,0,0,1,0,1|2,0,0]=4 412 B7R1.2 CC1COC(=O)C1 SC-60836 [0,0,0,1,0,1|1,0,1]=4 413 B7R1.2 CC1COC(=O)O1 SC-65189 [0,0,0,1,0,1|1,0,1]=4 414 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [0,0,0,1,0,1|1,0,1]=4 415 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [0,0,0,1,0,1|1,0,1]=4 416 B7R1.2 N=C1NC(=O)CS1 SC-69631 [0,0,0,1,0,1|1,1,0]=4 417 B7R1.2 NC1COC(=O)C1 SC-34183 [0,0,0,1,0,1|1,0,1]=4 418 B7R1.2 N[C@@H]1COC(=O)C1 SC-71558 [0,0,0,1,0,1|1,0,1]=4 419 B7R1.2 O=C1C=C(O)CO1 SC-21646 [0,0,0,1,0,1|0,0,1]=3 420 B7R1.2 O=C1C=CC(=O)N1 SC-15117 [0,0,0,1,0,1|1,0,1]=4 421 B7R1.2 O=C1CCC(=O)C1 SC-15331 [0,0,0,1,0,1|1,0,0]=3 422 B7R1.2 O=C1CCC(=O)N1 SC-26697 [0,0,0,1,0,1|1,0,0]=3 423 B7R1.2 O=C1CNC(=O)C1 SC-88883 [0,0,0,1,0,1|1,0,0]=3 424 B7R1.2 O=C1CNC(=O)O1 SC-21301 [0,0,0,1,0,1|1,0,0]=3 425 B7R1.2 O=C1COC(=O)C1 SC-86968 [0,0,0,1,0,1|0,0,0]=2 426 B7R1.2 O=C1COC(=O)N1 SC-49693 [0,0,0,1,0,1|0,0,0]=2 427 B7R1.2 O=C1CSC(=O)N1 SC-17499 [0,0,0,1,0,1|0,1,0]=3 428 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [0,0,0,1,0,1|0,0,2]=4 429 B7R1.12 O=C(O)C1CC1F SC-85228 [0,0,0,1,0,1|1,0,1]=4 430 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [0,0,0,1,0,1|1,0,1]=4 431 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [0,0,0,1,0,1|1,0,1]=4 432 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [0,0,0,1,0,1|1,0,1]=4 433 B7R1.20 O=C(O)CC1CC1 SC-13938 [0,0,0,1,0,1|1,0,1]=4 434 B7R1.4 C=C1CCOC1=O SC-19579 [0,1,0,1,0,0|1,0,0]=3 435 B7R1.4 CC1=CCCC1=O SC-15856 [0,1,0,1,0,0|2,0,0]=4 436 B7R1.4 CC1=NON=C1N SC-34001 [0,1,0,1,0,0|2,0,0]=4 437 B7R1.4 CC1CCOC1=O SC-20996 [0,1,0,1,0,0|1,0,1]=4 438 B7R1.4 N[C@@H]1CCOC1=O SC-28003 [0,1,0,1,0,0|1,0,1]=4 439 B7R1.4 N[C@H]1CCOC1=O SC-01385 [0,1,0,1,0,0|1,0,1]=4 440 B7R1.4 N[C@H]1CCOC1=O SC-28113 [0,1,0,1,0,0|1,0,1]=4 441 B7R1.4 O=C1NCCC1O SC-26159 [0,1,0,1,0,0|1,0,1]=4 442 B7R1.4 O=C1NCC[C@H]1O SC-87526 [0,1,0,1,0,0|1,0,1]=4 443 B7R1.4 O=C1OCCC1Br SC-15437 [0,1,0,1,0,0|1,0,1]=4 444 B7R1.18 O=C(O)C1CCC1 SC-17776 [0,1,0,1,0,0|1,0,1]=4 445 B7R1.18 O=C(O)C1CCO1 SC-22549 [0,1,0,1,0,0|0,0,2]=4 446 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [0,1,0,1,0,0|1,0,1]=4 447 B7R1.19 CC1(C(=O)O)CC1 SC-21186 [0,1,0,1,0,0|1,0,1]=4 448 B7R1.19 CC1(C(=O)O)CO1 SC-A2140 [0,1,0,1,0,0|0,0,2]=4 449 B7R1.19 NC1(C(=O)O)CC1 SC-11059 [0,1,0,1,0,0|1,0,1]=4 450 B7R1.19 NC1(C(=O)O)CC1 SC-21274 [0,1,0,1,0,0|1,0,1]=4 451 B7R1.19 O=C(O)C1(F)CC1 SC-49577 [0,1,0,1,0,0|1,0,1]=4 452 B7R1.19 O=C(O)C1(O)CC1 SC-19780 [0,1,0,1,0,0|0,0,2]=4 453 B7R1.22 COC(=O)C1CC1 SC-16131 [0,1,0,1,0,0|1,0,1]=4 454 B7R0.6 CC(=O)\C=C\C(=O)O SC-94119 [0,0,0,0,0,2|0,0,0]=2 455 B7R0.6 CC(C)CCC(=O)O SC-57917 [0,0,0,0,0,2|1,0,1]=4 456 B7R0.6 CC(C)OCC(=O)O SC-88240 [0,0,0,0,0,2|1,0,1]=4 457 B7R0.6 CN(C)CCC(=O)O SC-84721 [0,0,0,0,0,2|2,0,0]=4 458 B7R0.6 CN(C)CCC(=O)O SC-98010 [0,0,0,0,0,2|2,0,0]=4 459 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [0,0,0,0,0,2|0,0,2]=4 460 B7R0.6 NC(=O)\N=N\C(N)=O SC-80021 [0,0,0,0,0,2|2,0,0]=4 461 B7R0.6 O=C(O)C#CC(=O)O SC-18919 [0,0,0,0,0,2|1,0,0]=3 462 B7R0.6 O=C(O)CCC(=O)O SC-47173 [0,0,0,0,0,2|1,0,0]=3