0 B6R0.1 C=CC(=O)NCO SC-75438 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 CC[C@@H](N)COC SC-65714 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 CC[C@H](N)COC SC-89974 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 N#CC[C@@H](O)CCl SC-08974 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 N#CC[C@H](O)CCl SC-00699 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 OCCC(O)CO SC-15322 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.1 OCC[C@H](O)CO SC-08973 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 C=C(C)CCBr SC-26305 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 C=C(C)OCC SC-18086 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 CC(N)CCO SC-82589 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 CCCB(O)O SC-47544 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.1 CCCC(=N)N SC-19347 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 CCCC(=O)Cl SC-18924 [1,0,0,0,0,0|1,0,2]=4 13 B5R0.1 CCCC(=O)[O-] SC-15718 [1,0,0,0,0,0|1,0,2]=4 14 B5R0.1 CCCC(C)N SC-53929 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.1 CCCC(C)O SC-03320 [1,0,0,0,0,0|0,0,1]=2 16 B5R0.1 CCCC(N)=O SC-46377 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.1 CCNC(C)C SC-84122 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CNCC(=O)O SC-10425 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CNCC(F)F SC-34374 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 COCC(C)N SC-48787 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 COCC(C)O SC-00293 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.1 COC[C@@H](C)N SC-47724 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 COC[C@@H](C)O SC-04836 [1,0,0,0,0,0|1,0,1]=3 24 B5R0.1 C[C@@H](N)CCO SC-48293 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 C[C@@H](O)CCO SC-05919 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.1 C[C@H](O)CCO SC-02840 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.1 NCCC(=O)O SC-10014 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 NCCC(F)F SC-89198 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 O=C(O)CCBr SC-18441 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 O=C(O)CCS SC-22642 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.2 C#CCCCCl SC-46678 [1,0,0,0,0,0|1,0,2]=4 32 B5R0.2 C#CCCCI SC-A2786 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.2 C#CCCCN SC-48603 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.2 C#CCCCN SC-99931 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.2 C=CCCCBr SC-47340 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.2 C=CCCCN SC-28944 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.2 C=CCCCO SC-78424 [1,0,0,0,0,0|1,0,0]=2 38 B5R0.2 C=CCN=C=O SC-43729 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.2 C=CCSSC SC-87236 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.2 C=COCCO SC-22660 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.2 CC#CCC=O SC-89818 [1,0,0,0,0,0|1,0,2]=4 42 B5R0.2 CCCCNN SC-68008 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.2 CCSCCCl SC-43710 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 CNCCC#N SC-15494 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.2 CNCCCO SC-94106 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.2 CNCCNC SC-19090 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.2 CNCCOC SC-15056 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 CNCCSC SC-74374 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 CNCCSC SC-83575 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.2 COCCC=O SC-85357 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.2 COCCCBr SC-20920 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.2 COCCNN SC-53129 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.2 COCCNN SC-70814 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.2 C\C=C\OCC SC-89361 [1,0,0,0,0,0|1,0,2]=4 55 B5R0.2 ClCCCCBr SC-17538 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.2 FCCCCBr SC-43880 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.2 ICCCCI SC-69402 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.2 N#CCCCBr SC-20060 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.2 N#CCCCCl SC-16423 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.2 NCCCCCl SC-14246 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.2 NCCCCN SC-20919 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.2 NCCCCO SC-48186 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.2 O=CCCC=O SC-13455 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.2 O=CCCCBr SC-69595 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.2 OCCCCBr SC-12645 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.2 OCCCCCl SC-23109 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.3 C#CC(O)CC SC-68723 [1,0,0,0,0,0|0,0,2]=3 68 B5R0.3 C=CC(Cl)CCl SC-A3373 [1,0,0,0,0,0|2,0,0]=3 69 B5R0.3 C=CC(O)C=C SC-20854 [1,0,0,0,0,0|0,0,2]=3 70 B5R0.3 C=CC(O)CC SC-93539 [1,0,0,0,0,0|0,0,0]=1 71 B5R0.3 C=C[C@H](N)CO SC-88199 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.3 CCC(C)CO SC-08990 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.3 CCC(N)CC SC-81736 [1,0,0,0,0,0|1,0,2]=4 74 B5R0.3 CCC(N)CO SC-21072 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.3 CCC(O)CC SC-62307 [1,0,0,0,0,0|0,0,2]=3 76 B5R0.3 NCC(O)CO SC-15511 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.3 NC[C@@H](O)CO SC-06146 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.3 NC[C@H](O)CCl SC-89081 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.3 O=CC(O)CO SC-04830 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.3 OCC(O)CO SC-13789 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.3 OC[C@@H](O)CCl SC-05423 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.3 [C@H](N)(CC)CO SC-08958 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.3 [C@H](O)(CN)CO SC-05739 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.2 C=CC(=O)NC(C)C SC-47047 [0,1,0,0,0,0|1,0,2]=4 85 B7R0.2 CC(C)C[C@@H](N)CO SC-15764 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.2 CC(C)C[C@H](N)CO SC-08985 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.2 CCC(O)CC(C)=O SC-92943 [0,1,0,0,0,0|0,0,3]=4 88 B7R0.3 CC(CCCO)NN SC-14213 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.3 CCCCC(Br)CBr SC-94096 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.3 CCCCC(O)CO SC-74356 [0,1,0,0,0,0|1,0,1]=3 91 B7R0.3 CCOCC(Cl)OC SC-94025 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.3 CCOCC(O)CO SC-90419 [0,1,0,0,0,0|1,0,1]=3 93 B7R0.3 CCSCC(C)NN SC-14211 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.3 CSCCC(O)C#N SC-A3341 [0,1,0,0,0,0|1,0,1]=3 95 B7R0.5 CCCC(Br)C(=O)O SC-27020 [0,1,0,0,0,0|2,0,0]=3 96 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [0,1,0,0,0,0|3,0,0]=4 98 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [0,1,0,0,0,0|3,0,0]=4 99 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [0,1,0,0,0,0|3,0,0]=4 100 B7R0.5 NC(CCO)C(=O)O SC-10290 [0,1,0,0,0,0|3,0,0]=4 101 B7R0.5 NCCC(N)C(=O)O SC-10146 [0,1,0,0,0,0|3,0,0]=4 102 B7R0.5 NCCC(N)C(=O)O SC-20723 [0,1,0,0,0,0|3,0,0]=4 103 B7R0.5 NCCC(N)C(=O)O SC-23452 [0,1,0,0,0,0|3,0,0]=4 104 B7R0.5 NCCC(N)C(=O)O SC-25055 [0,1,0,0,0,0|3,0,0]=4 105 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [0,1,0,0,0,0|3,0,0]=4 106 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [0,1,0,0,0,0|3,0,0]=4 107 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [0,1,0,0,0,0|3,0,0]=4 108 B7R0.7 CCC[C@H](N)CCO SC-A3499 [0,1,0,0,0,0|1,0,2]=4 109 B7R0.7 CCOC(=O)\C=C\[O-] SC-71247 [0,1,0,0,0,0|1,0,2]=4 110 B7R0.7 COCC(O)COC SC-65162 [0,1,0,0,0,0|1,0,2]=4 111 B7R0.10 CCC(Br)C(Br)CC SC-94097 [0,1,0,0,0,0|1,0,2]=4 112 B7R0.10 CC[C@H](C)[C@H](N)CO SC-08984 [0,1,0,0,0,0|2,0,1]=4 113 B7R0.10 O=CC(O)C(O)C=O SC-74089 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.10 OC(CS)C(O)CS SC-15337 [0,1,0,0,0,0|2,0,1]=4 115 B7R0.10 [C@H](O)(CO)[C@H](O)CO SC-11315 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.11 CCCC(C)(Br)CBr SC-94098 [0,1,0,0,0,0|2,0,1]=4 117 B7R0.12 CNCC(OC)OC SC-26635 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.12 COC(CCBr)OC SC-15080 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.12 COCC(OC)OC SC-73556 [0,1,0,0,0,0|2,0,1]=4 120 B7R1.1 BrCC1CCCC1 SC-04017 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.1 BrCC1CCCO1 SC-00526 [0,0,0,1,0,0|1,0,1]=3 122 B7R1.1 C#CC1CCCC1 SC-82441 [0,0,0,1,0,0|1,0,2]=4 123 B7R1.1 CCC1CCCN1 SC-29181 [0,0,0,1,0,0|1,0,2]=4 124 B7R1.1 CNC1CCCC1 SC-52894 [0,0,0,1,0,0|2,0,1]=4 125 B7R1.1 CNC1CCCC1 SC-A3381 [0,0,0,1,0,0|2,0,1]=4 126 B7R1.1 N#CC1CCCC1 SC-84423 [0,0,0,1,0,0|2,0,1]=4 127 B7R1.1 N#CC1CCCN1 SC-70822 [0,0,0,1,0,0|2,0,1]=4 128 B7R1.1 N#C[C@H]1CCCN1 SC-72638 [0,0,0,1,0,0|2,0,1]=4 129 B7R1.1 NCC1CCCC1 SC-22285 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.1 NCC1CCCC1 SC-25234 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.1 NCC1CCCN1 SC-98158 [0,0,0,1,0,0|2,0,1]=4 132 B7R1.1 NC[C@@H]1CCCO1 SC-28608 [0,0,0,1,0,0|1,0,1]=3 133 B7R1.1 NNC1CCCC1 SC-12771 [0,0,0,1,0,0|3,0,0]=4 134 B7R1.1 NNC1CCCC1 SC-62645 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.1 O=CC1CCCC1 SC-21778 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.1 O=CC1CCCC1 SC-44728 [0,0,0,1,0,0|2,0,0]=3 137 B7R1.1 O=CC1CCNC1 SC-85271 [0,0,0,1,0,0|3,0,0]=4 138 B7R1.1 OCC1CCCC1 SC-03842 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.1 OCC1CCCN1 SC-12006 [0,0,0,1,0,0|2,0,1]=4 140 B7R1.1 OCC1CCCO1 SC-94849 [0,0,0,1,0,0|1,0,1]=3 141 B7R1.1 OC[C@@H]1CCCN1 SC-02696 [0,0,0,1,0,0|2,0,1]=4 142 B7R1.1 OC[C@@H]1CCCN1 SC-48321 [0,0,0,1,0,0|2,0,1]=4 143 B7R1.1 OC[C@@H]1CCCO1 SC-20330 [0,0,0,1,0,0|1,0,1]=3 144 B7R1.1 OC[C@H]1CCCN1 SC-06270 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.2 CN1CC[C@@H](O)C1 SC-49684 [0,0,0,1,0,0|1,0,2]=4 146 B7R1.2 CN1CC[C@H](O)C1 SC-23905 [0,0,0,1,0,0|1,0,2]=4 147 B7R1.2 NC1CCC(O)C1 SC-47773 [0,0,0,1,0,0|1,0,2]=4 148 B7R1.2 NC1CCC(O)C1 SC-47979 [0,0,0,1,0,0|1,0,2]=4 149 B7R1.2 NC1CCC(O)C1 SC-49660 [0,0,0,1,0,0|1,0,2]=4 150 B7R1.2 NC1CCC(O)C1 SC-51126 [0,0,0,1,0,0|1,0,2]=4 151 B7R1.2 NC1CCC(O)C1 SC-92977 [0,0,0,1,0,0|1,0,2]=4 152 B7R1.2 N[C@@H]1CC[C@H](O)C1 SC-83316 [0,0,0,1,0,0|1,0,2]=4 153 B7R1.2 N[C@H]1CC[C@@H](O)C1 SC-42369 [0,0,0,1,0,0|1,0,2]=4 154 B7R1.2 N[C@H]1CC[C@@H](O)C1 SC-47775 [0,0,0,1,0,0|1,0,2]=4 155 B7R1.2 N[C@H]1CC[C@H](O)C1 SC-47774 [0,0,0,1,0,0|1,0,2]=4 156 B7R1.2 N[C@H]1CC[C@H](O)C1 SC-93243 [0,0,0,1,0,0|1,0,2]=4 157 B7R1.3 BrC1=CCCCC1 SC-69986 [0,0,0,1,0,0|1,0,2]=4 158 B7R1.3 BrC1CCCOC1 SC-43426 [0,0,0,1,0,0|2,0,1]=4 159 B7R1.3 CC1=CCCCC1 SC-99243 [0,0,0,1,0,0|1,0,2]=4 160 B7R1.3 CC1CCCCC1 SC-79075 [0,0,0,1,0,0|1,0,2]=4 161 B7R1.3 CC1CCCNC1 SC-46299 [0,0,0,1,0,0|2,0,1]=4 162 B7R1.3 C[C@H]1CCCNC1 SC-99949 [0,0,0,1,0,0|2,0,1]=4 163 B7R1.3 ClC1CCCCO1 SC-85266 [0,0,0,1,0,0|2,0,1]=4 164 B7R1.3 FC1CCCCC1 SC-09547 [0,0,0,1,0,0|1,0,2]=4 165 B7R1.3 FC1CCCNC1 SC-21265 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.3 NC1CCCNC1 SC-54118 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.3 NC1CCCNC1 SC-77469 [0,0,0,1,0,0|2,0,1]=4 168 B7R1.3 NC1CCCOC1 SC-35742 [0,0,0,1,0,0|2,0,1]=4 169 B7R1.3 NC1CCCOC1 SC-49332 [0,0,0,1,0,0|2,0,1]=4 170 B7R1.3 N[C@@H]1CCCNC1 SC-03568 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.3 N[C@@H]1CCCOC1 SC-71639 [0,0,0,1,0,0|2,0,1]=4 172 B7R1.3 N[C@@H]1CCCOC1 SC-96408 [0,0,0,1,0,0|2,0,1]=4 173 B7R1.3 N[C@H]1CCCNC1 SC-25042 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.3 N[C@H]1CCCOC1 SC-94110 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.3 O=C1C=CCCN1 SC-25185 [0,0,0,1,0,0|1,0,2]=4 176 B7R1.3 O=C1C=CCCO1 SC-50374 [0,0,0,1,0,0|1,0,2]=4 177 B7R1.3 OC1=CN=NCC1 SC-89630 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.3 OC1CC=CCC1 SC-87372 [0,0,0,1,0,0|0,0,2]=3 179 B7R1.3 OC1CCCCO1 SC-84303 [0,0,0,1,0,0|1,0,1]=3 180 B7R1.3 OC1CCCNC1 SC-06262 [0,0,0,1,0,0|1,0,1]=3 181 B7R1.3 OC1CCCNC1 SC-47771 [0,0,0,1,0,0|1,0,1]=3 182 B7R1.3 OC1CCCOC1 SC-19794 [0,0,0,1,0,0|1,0,1]=3 183 B7R1.3 OC1CCCOC1 SC-35801 [0,0,0,1,0,0|1,0,1]=3 184 B7R1.3 OC1CCNCC1 SC-05165 [0,0,0,1,0,0|1,0,2]=4 185 B7R1.3 OC1CCOCC1 SC-02372 [0,0,0,1,0,0|1,0,2]=4 186 B7R1.3 OC1CCSCC1 SC-35917 [0,0,0,1,0,0|1,0,2]=4 187 B7R1.3 ON1CCCCC1 SC-13334 [0,0,0,1,0,0|1,0,2]=4 188 B7R1.3 O[C@@H]1CCCNC1 SC-12564 [0,0,0,1,0,0|1,0,1]=3 189 B7R1.3 O[C@H]1CCCNC1 SC-19802 [0,0,0,1,0,0|1,0,1]=3 190 B7R1.4 C=C1CCOC1=O SC-19579 [0,0,0,1,0,0|1,0,2]=4 191 B7R1.4 CC1CCCC1=O SC-89605 [0,0,0,1,0,0|2,0,0]=3 192 B7R1.4 CC1CCNC1=O SC-21672 [0,0,0,1,0,0|3,0,0]=4 193 B7R1.4 CC1CCOC1=O SC-20996 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.4 NC1CCCC1O SC-21764 [0,0,0,1,0,0|1,0,1]=3 195 B7R1.4 NC1CCNC1=O SC-13910 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.4 NC1CCNC1=O SC-53072 [0,0,0,1,0,0|3,0,0]=4 197 B7R1.4 N[C@@H]1CCNC1=O SC-65959 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.4 N[C@@H]1CCNC1=O SC-A2225 [0,0,0,1,0,0|3,0,0]=4 199 B7R1.4 N[C@@H]1CCOC1=O SC-28003 [0,0,0,1,0,0|3,0,0]=4 200 B7R1.4 N[C@H]1CCC[C@@H]1O SC-27686 [0,0,0,1,0,0|1,0,1]=3 201 B7R1.4 N[C@H]1CCC[C@H]1N SC-83490 [0,0,0,1,0,0|2,0,1]=4 202 B7R1.4 N[C@H]1CCNC1=O SC-96457 [0,0,0,1,0,0|3,0,0]=4 203 B7R1.4 N[C@H]1CCOC1=O SC-01385 [0,0,0,1,0,0|3,0,0]=4 204 B7R1.4 N[C@H]1CCOC1=O SC-28113 [0,0,0,1,0,0|3,0,0]=4 205 B7R1.4 N[C@H]1COC[C@@H]1O SC-44041 [0,0,0,1,0,0|2,0,1]=4 206 B7R1.4 O=C1CCCC1Cl SC-21538 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.4 O=C1NCCC1O SC-26159 [0,0,0,1,0,0|2,0,0]=3 208 B7R1.4 O=C1NCC[C@H]1O SC-87526 [0,0,0,1,0,0|2,0,0]=3 209 B7R1.4 O=C1OCCC1Br SC-15437 [0,0,0,1,0,0|3,0,0]=4 210 B7R1.4 O[C@@H]1CCC[C@H]1O SC-A2623 [0,0,0,1,0,0|1,0,1]=3 211 B7R1.4 [C@@H]1(N)CCC[C@H]1O SC-16146 [0,0,0,1,0,0|1,0,1]=3 212 B7R1.4 [C@H]1(N)CCC[C@H]1O SC-25435 [0,0,0,1,0,0|1,0,1]=3 213 B7R1.22 NCC(O)C1CC1 SC-21038 [0,0,0,1,0,0|1,0,1]=3 214 B7R1.25 NC1(CO)CCC1 SC-17718 [0,0,0,1,0,0|2,0,1]=4 215 B7R1.25 NC1(CO)CCC1 SC-B7244 [0,0,0,1,0,0|2,0,1]=4 216 B7R1.25 NCC1(N)CCC1 SC-53140 [0,0,0,1,0,0|2,0,1]=4 217 B7R1.25 NCC1(O)CCC1 SC-44159 [0,0,0,1,0,0|1,0,1]=3 218 B4R0.1 C#CC(C)O SC-26644 [2,0,0,0,0,0|0,0,2]=4 219 B4R0.1 C=CC(C)O SC-43661 [2,0,0,0,0,0|0,0,0]=2 220 B4R0.1 C=C[C@H](C)N SC-67439 [2,0,0,0,0,0|1,0,0]=3 221 B4R0.1 CCB(O)O SC-04516 [2,0,0,0,0,0|2,0,0]=4 222 B4R0.1 CCC(=O)O SC-22887 [2,0,0,0,0,0|1,0,1]=4 223 B4R0.1 CCC(C)O SC-01234 [2,0,0,0,0,0|0,0,1]=3 224 B4R0.1 CC[C@H](C)N SC-81828 [2,0,0,0,0,0|1,0,1]=4 225 B4R0.1 CC[C@H](C)O SC-04418 [2,0,0,0,0,0|0,0,1]=3 226 B4R0.1 C[C@@H](O)CN SC-03087 [2,0,0,0,0,0|1,0,1]=4 227 B4R0.1 C[C@@H](O)CO SC-04433 [2,0,0,0,0,0|1,0,1]=4 228 B4R0.1 C[C@H](O)CCl SC-99597 [2,0,0,0,0,0|1,0,1]=4 229 B4R0.1 C[C@H](O)CN SC-03088 [2,0,0,0,0,0|1,0,1]=4 230 B4R0.1 C[C@H](O)CO SC-04434 [2,0,0,0,0,0|1,0,1]=4 231 B4R0.1 [C@@H](C)(O)C#C SC-47963 [2,0,0,0,0,0|0,0,2]=4 232 B4R0.1 [C@H](C)(O)C#C SC-47962 [2,0,0,0,0,0|0,0,2]=4 233 B4R0.2 BrCCCBr SC-79111 [2,0,0,0,0,0|2,0,0]=4 234 B4R0.2 C#CCCO SC-17773 [2,0,0,0,0,0|0,0,2]=4 235 B4R0.2 C=CCCCl SC-90795 [2,0,0,0,0,0|1,0,0]=3 236 B4R0.2 C=CCCN SC-48242 [2,0,0,0,0,0|1,0,0]=3 237 B4R0.2 C=CCCN SC-52106 [2,0,0,0,0,0|1,0,0]=3 238 B4R0.2 C=CCCO SC-45284 [2,0,0,0,0,0|1,0,0]=3 239 B4R0.2 C=CCNC SC-05902 [2,0,0,0,0,0|1,0,0]=3 240 B4R0.2 C=CCON SC-96333 [2,0,0,0,0,0|2,0,0]=4 241 B4R0.2 C=CCSC SC-47211 [2,0,0,0,0,0|1,0,0]=3 242 B4R0.2 CC#CCO SC-17951 [2,0,0,0,0,0|0,0,2]=4 243 B4R0.2 CCCNC SC-27548 [2,0,0,0,0,0|1,0,1]=4 244 B4R0.2 CCOCC SC-73354 [2,0,0,0,0,0|1,0,1]=4 245 B4R0.2 CNCCBr SC-98001 [2,0,0,0,0,0|2,0,0]=4 246 B4R0.2 COCC=O SC-48883 [2,0,0,0,0,0|2,0,0]=4 247 B4R0.2 COCCCl SC-05903 [2,0,0,0,0,0|2,0,0]=4 248 B4R0.2 COCCN SC-22236 [2,0,0,0,0,0|2,0,0]=4 249 B4R0.2 CSCCCl SC-53991 [2,0,0,0,0,0|2,0,0]=4 250 B4R0.2 CSCCN SC-28443 [2,0,0,0,0,0|2,0,0]=4 251 B4R0.2 CSCCN SC-83550 [2,0,0,0,0,0|2,0,0]=4 252 B4R0.2 CSCCO SC-19276 [2,0,0,0,0,0|1,0,0]=3 253 B4R0.2 C\C=C/CO SC-69832 [2,0,0,0,0,0|0,0,2]=4 254 B4R0.2 C\C=C\CO SC-25521 [2,0,0,0,0,0|0,0,2]=4 255 B4R0.2 C\C=C\CO SC-69597 [2,0,0,0,0,0|0,0,2]=4 256 B4R0.2 ClCCCI SC-73683 [2,0,0,0,0,0|2,0,0]=4 257 B4R0.2 FCCCBr SC-49851 [2,0,0,0,0,0|2,0,0]=4 258 B4R0.2 FCCCI SC-84350 [2,0,0,0,0,0|2,0,0]=4 259 B4R0.2 ICCCI SC-89448 [2,0,0,0,0,0|2,0,0]=4 260 B4R0.2 NCCCBr SC-39593 [2,0,0,0,0,0|2,0,0]=4 261 B4R0.2 NCCCBr SC-48386 [2,0,0,0,0,0|2,0,0]=4 262 B4R0.2 NCCCCl SC-15218 [2,0,0,0,0,0|2,0,0]=4 263 B4R0.2 NCCCO SC-16407 [2,0,0,0,0,0|1,0,0]=3 264 B4R0.2 NCCCS SC-52748 [2,0,0,0,0,0|1,1,0]=4 265 B4R0.2 NNCCO SC-15469 [2,0,0,0,0,0|2,0,0]=4 266 B4R0.2 NOCCO SC-41192 [2,0,0,0,0,0|2,0,0]=4 267 B4R0.2 O=CCCCl SC-71322 [2,0,0,0,0,0|2,0,0]=4 268 B4R0.2 O=CCCO SC-52939 [2,0,0,0,0,0|1,0,1]=4 269 B4R0.2 OCCCBr SC-13514 [2,0,0,0,0,0|1,0,0]=3 270 B4R0.2 OCCCCl SC-15525 [2,0,0,0,0,0|1,0,0]=3 271 B4R0.2 OCCCF SC-24862 [2,0,0,0,0,0|1,0,0]=3 272 B4R0.2 OCCCI SC-65803 [2,0,0,0,0,0|1,0,0]=3 273 B4R0.2 OCCCO SC-25736 [2,0,0,0,0,0|1,0,0]=3 274 B4R0.2 SCCCS SC-17571 [2,0,0,0,0,0|1,1,0]=4 275 B6R0.2 CC(C)CB(O)O SC-06923 [1,1,0,0,0,0|2,0,0]=4 276 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [1,1,0,0,0,0|1,0,1]=4 277 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [1,1,0,0,0,0|1,0,1]=4 278 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [1,1,0,0,0,0|1,0,1]=4 279 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [1,1,0,0,0,0|1,0,1]=4 280 B6R0.3 CCC(F)C(=O)O SC-82839 [1,1,0,0,0,0|1,0,1]=4 281 B6R0.3 CCC(N)C(=O)O SC-25570 [1,1,0,0,0,0|1,0,1]=4 282 B6R0.3 CCC(S)C(=O)O SC-90417 [1,1,0,0,0,0|1,0,1]=4 283 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [1,1,0,0,0,0|1,0,1]=4 284 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [1,1,0,0,0,0|1,0,1]=4 285 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [1,1,0,0,0,0|1,0,1]=4 286 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [1,1,0,0,0,0|1,0,1]=4 287 B6R0.4 C=C(C)CNCC SC-47240 [1,1,0,0,0,0|1,0,1]=4 288 B6R0.4 CNCCC(=O)O SC-27492 [1,1,0,0,0,0|1,0,1]=4 289 B6R0.4 CNCCC(=O)O SC-52914 [1,1,0,0,0,0|1,0,1]=4 290 B6R0.4 COCCC(=O)O SC-50255 [1,1,0,0,0,0|1,0,1]=4 291 B6R0.4 CSCCC(=O)O SC-96567 [1,1,0,0,0,0|1,0,1]=4 292 B6R0.4 NCCCC(=O)O SC-10045 [1,1,0,0,0,0|1,0,1]=4 293 B6R0.4 O=C(O)CCCCl SC-89723 [1,1,0,0,0,0|1,0,1]=4 294 B6R0.5 CC(C)(O)CCBr SC-A2798 [1,1,0,0,0,0|1,0,1]=4 295 B6R0.5 CC(C)(O)CCN SC-14242 [1,1,0,0,0,0|1,0,1]=4 296 B6R0.5 CC(C)(O)CCO SC-20680 [1,1,0,0,0,0|1,0,1]=4 297 B6R0.5 CCCP(=O)(O)O SC-A3323 [1,1,0,0,0,0|2,0,0]=4 298 B6R0.5 CCCS(=O)(=O)O SC-80781 [1,1,0,0,0,0|2,0,0]=4 299 B6R0.6 BrCCCCCBr SC-00350 [1,1,0,0,0,0|1,0,1]=4 300 B6R0.6 C#CCCCCN SC-A3767 [1,1,0,0,0,0|0,0,2]=4 301 B6R0.6 C#CCCCCO SC-87514 [1,1,0,0,0,0|0,0,2]=4 302 B6R0.6 C=CCCCCBr SC-27023 [1,1,0,0,0,0|0,0,0]=2 303 B6R0.6 C=COCCON SC-93636 [1,1,0,0,0,0|2,0,0]=4 304 B6R0.6 CCCCCNC SC-25672 [1,1,0,0,0,0|0,0,2]=4 305 B6R0.6 CCCCON=O SC-70750 [1,1,0,0,0,0|2,0,0]=4 306 B6R0.6 CCC\C=C\C=O SC-25240 [1,1,0,0,0,0|0,0,1]=3 307 B6R0.6 CCOCCCO SC-00354 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.6 CNCCCCO SC-13108 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.6 CNCCCNC SC-47576 [1,1,0,0,0,0|1,0,1]=4 310 B6R0.6 CNCCCOC SC-51293 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.6 COCCCCCl SC-01876 [1,1,0,0,0,0|1,0,1]=4 312 B6R0.6 COCCCOC SC-47077 [1,1,0,0,0,0|1,0,1]=4 313 B6R0.6 C\C=C\CCCO SC-48265 [1,1,0,0,0,0|1,0,0]=3 314 B6R0.6 FCCCCCBr SC-45318 [1,1,0,0,0,0|1,0,1]=4 315 B6R0.6 ICCCCCI SC-82357 [1,1,0,0,0,0|1,0,1]=4 316 B6R0.6 N#CCCCCCl SC-16304 [1,1,0,0,0,0|1,0,1]=4 317 B6R0.6 NCCCCCN SC-35536 [1,1,0,0,0,0|1,0,1]=4 318 B6R0.6 NCCCCCO SC-20467 [1,1,0,0,0,0|1,0,1]=4 319 B6R0.6 O=CCCCCCl SC-A3300 [1,1,0,0,0,0|1,0,0]=3 320 B6R0.6 OCCCCCBr SC-43699 [1,1,0,0,0,0|1,0,1]=4 321 B6R0.6 OCCCCCO SC-69222 [1,1,0,0,0,0|1,0,1]=4 322 B6R0.8 C#CC(C)(O)C=C SC-17989 [1,1,0,0,0,0|0,0,2]=4 323 B6R0.9 C=CC(OC)OC SC-27140 [1,1,0,0,0,0|1,0,0]=3 324 B6R0.9 CCC(OC)OC SC-85699 [1,1,0,0,0,0|1,0,1]=4 325 B8R0.2 CCC(C)C(N)C(=O)O SC-09610 [0,2,0,0,0,0|2,0,0]=4 326 B8R0.2 CCC(C)C(N)C(N)=O SC-24873 [0,2,0,0,0,0|2,0,0]=4 327 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O SC-53376 [0,2,0,0,0,0|1,0,0]=3 328 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO SC-15195 [0,2,0,0,0,0|2,0,0]=4 329 B8R0.5 CCOC(Cl)C=C(Cl)Cl SC-91814 [0,2,0,0,0,0|2,0,0]=4 330 B8R0.23 CC(C)CC(Br)C(=O)O SC-A4035 [0,2,0,0,0,0|2,0,0]=4 331 B8R0.23 CC(C)CC(N)C(=O)O SC-09638 [0,2,0,0,0,0|2,0,0]=4 332 B8R0.23 CC(C)CC(N)C(=O)O SC-09639 [0,2,0,0,0,0|2,0,0]=4 333 B8R0.23 CC(C)C[C@@H](N)C(=O)O SC-09637 [0,2,0,0,0,0|2,0,0]=4 334 B8R0.23 CC(C)C[C@@H](O)C(=O)O SC-13459 [0,2,0,0,0,0|1,0,0]=3 335 B8R0.23 CC(C)C[C@H](N)C(N)=O SC-09656 [0,2,0,0,0,0|2,0,0]=4 336 B8R0.3 CCCC(N)C(=O)OC SC-10383 [0,2,0,0,0,0|1,0,1]=4 337 B8R0.3 O=CCC(O)C(O)CO SC-13541 [0,2,0,0,0,0|1,0,1]=4 338 B8R0.3 O=CC[C@H](O)[C@H](O)CO SC-09180 [0,2,0,0,0,0|1,0,1]=4 339 B8R0.8 CCCCC(N)C(=O)O SC-10365 [0,2,0,0,0,0|2,0,0]=4 340 B8R0.8 CCCC[C@@H](N)C(=O)O SC-10363 [0,2,0,0,0,0|2,0,0]=4 341 B8R0.8 CSCCC(N)C(N)=O SC-15811 [0,2,0,0,0,0|2,0,0]=4 342 B8R0.8 CSCC[C@@H](N)C(=O)O SC-09743 [0,2,0,0,0,0|2,0,0]=4 343 B8R0.8 C[Se]CC[C@H](N)C(=O)O SC-19961 [0,2,0,0,0,0|2,0,0]=4 344 B8R0.8 NCCCC(N)C(=O)O SC-10385 [0,2,0,0,0,0|2,0,0]=4 345 B8R0.8 NCCCC(N)C(=O)O SC-48991 [0,2,0,0,0,0|2,0,0]=4 346 B8R0.8 NCCC[C@H](N)C(=O)O SC-18299 [0,2,0,0,0,0|2,0,0]=4 347 B8R0.9 C=CC(N)CCC(=O)O SC-82297 [0,2,0,0,0,0|1,0,1]=4 348 B8R0.9 CC(C)NCC(O)CO SC-22206 [0,2,0,0,0,0|1,0,1]=4 349 B8R0.11 COC(CCCCl)OC SC-16980 [0,2,0,0,0,0|1,0,1]=4 350 B8R0.15 CCCC(CC)C(=O)O SC-82317 [0,2,0,0,0,0|0,0,2]=4 351 B6R1.2 CC1=CCCC1 SC-46849 [1,0,0,1,0,0|1,0,1]=4 352 B6R1.2 CC1CCCN1 SC-89376 [1,0,0,1,0,0|1,0,1]=4 353 B6R1.2 CC1CCCN1 SC-A3822 [1,0,0,1,0,0|1,0,1]=4 354 B6R1.2 C[C@H]1CCCN1 SC-95860 [1,0,0,1,0,0|1,0,1]=4 355 B6R1.2 FC1CCCC1 SC-09548 [1,0,0,1,0,0|1,0,1]=4 356 B6R1.2 NC1CCCC1 SC-84758 [1,0,0,1,0,0|1,0,1]=4 357 B6R1.2 OC1CCCN1 SC-21341 [1,0,0,1,0,0|1,0,0]=3 358 B6R1.2 OC1CCNC1 SC-00623 [1,0,0,1,0,0|1,0,1]=4 359 B6R1.2 OC1CCNC1 SC-19629 [1,0,0,1,0,0|1,0,1]=4 360 B6R1.2 OC1CCNC1 SC-24957 [1,0,0,1,0,0|1,0,1]=4 361 B6R1.2 OC1CCNC1 SC-27708 [1,0,0,1,0,0|1,0,1]=4 362 B6R1.2 OC1CCOC1 SC-17875 [1,0,0,1,0,0|1,0,1]=4 363 B6R1.2 O[C@@H]1CCNC1 SC-00194 [1,0,0,1,0,0|1,0,1]=4 364 B6R1.2 O[C@@H]1CCNC1 SC-13984 [1,0,0,1,0,0|1,0,1]=4 365 B6R1.2 O[C@@H]1CCOC1 SC-07022 [1,0,0,1,0,0|1,0,1]=4 366 B6R1.2 O[C@H]1CCOC1 SC-08982 [1,0,0,1,0,0|1,0,1]=4 367 B6R1.2 O[C@H]1CCOC1 SC-50082 [1,0,0,1,0,0|1,0,1]=4 368 B6R1.2 [C@@H]1(C)CCCN1 SC-48604 [1,0,0,1,0,0|1,0,1]=4 369 B6R1.2 [C@H]1(O)CCNC1 SC-24229 [1,0,0,1,0,0|1,0,1]=4 370 B6R1.3 BrCCC1CO1 SC-20894 [1,0,0,1,0,0|1,0,1]=4 371 B6R1.3 COC[C@@H]1CO1 SC-09011 [1,0,0,1,0,0|1,0,1]=4 372 B6R1.3 COC[C@H]1CO1 SC-06042 [1,0,0,1,0,0|1,0,1]=4 373 B6R1.3 CSCC1CO1 SC-50532 [1,0,0,1,0,0|1,0,1]=4 374 B6R1.5 CN1CC(O)C1 SC-92160 [1,0,0,1,0,0|1,0,1]=4 375 B6R1.5 NC1CC(O)C1 SC-52840 [1,0,0,1,0,0|1,0,1]=4 376 B6R1.5 N[C@H]1C[C@@H](O)C1 SC-94821 [1,0,0,1,0,0|1,0,1]=4 377 B6R1.5 N[C@H]1C[C@H](O)C1 SC-51722 [1,0,0,1,0,0|1,0,1]=4 378 B6R1.5 N[C@H]1C[C@H](O)C1 SC-94820 [1,0,0,1,0,0|1,0,1]=4 379 B6R1.10 CC1(N)CCC1 SC-38385 [1,0,0,1,0,0|1,0,1]=4 380 B6R1.10 CC1(N)CCC1 SC-82175 [1,0,0,1,0,0|1,0,1]=4 381 B6R1.10 CC1(O)CNC1 SC-43430 [1,0,0,1,0,0|1,0,1]=4 382 B6R1.11 CC(O)C1CC1 SC-19615 [1,0,0,1,0,0|0,0,1]=3 383 B6R1.11 C[C@@H](N)C1CC1 SC-83564 [1,0,0,1,0,0|1,0,1]=4 384 B6R1.11 C[C@H](N)C1CC1 SC-87033 [1,0,0,1,0,0|1,0,1]=4 385 B6R1.11 O=C(O)C1CC1 SC-22620 [1,0,0,1,0,0|1,0,1]=4 386 B6R1.11 OB(O)C1CC1 SC-04359 [1,0,0,1,0,0|2,0,0]=4 387 B6R1.1 C1=CCCC=C1 SC-50457 [1,0,0,1,0,0|0,0,2]=4 388 B6R1.1 C1=CCNCC1 SC-83515 [1,0,0,1,0,0|1,0,0]=3 389 B6R1.1 C1=COCCC1 SC-00342 [1,0,0,1,0,0|1,0,0]=3 390 B6R1.1 C1CCNCC1 SC-05687 [1,0,0,1,0,0|1,0,1]=4 391 B6R1.1 C1CCNNC1 SC-84334 [1,0,0,1,0,0|2,0,0]=4 392 B6R1.1 C1CCONC1 SC-82296 [1,0,0,1,0,0|2,0,0]=4 393 B6R1.1 C1CC[NH2+]CC1 SC-48018 [1,0,0,1,0,0|1,0,1]=4 394 B6R1.6 BrCC1CCC1 SC-17177 [1,0,0,1,0,0|1,0,1]=4 395 B6R1.6 CNC1CCC1 SC-48003 [1,0,0,1,0,0|1,0,1]=4 396 B6R1.6 ICC1CCC1 SC-B3939 [1,0,0,1,0,0|1,0,1]=4 397 B6R1.6 N#CC1CCC1 SC-43622 [1,0,0,1,0,0|1,0,1]=4 398 B6R1.6 NCC1CCC1 SC-12470 [1,0,0,1,0,0|1,0,1]=4 399 B6R1.6 NCC1CCC1 SC-22241 [1,0,0,1,0,0|1,0,1]=4 400 B6R1.6 NCC1CCC1 SC-A4294 [1,0,0,1,0,0|1,0,1]=4 401 B6R1.6 NNC1CCC1 SC-12374 [1,0,0,1,0,0|2,0,0]=4 402 B6R1.6 NNC1CCC1 SC-12770 [1,0,0,1,0,0|2,0,0]=4 403 B6R1.6 NNC1CCC1 SC-72265 [1,0,0,1,0,0|2,0,0]=4 404 B6R1.6 O=CC1CCC1 SC-14218 [1,0,0,1,0,0|1,0,0]=3 405 B6R1.6 O=CC1COC1 SC-65750 [1,0,0,1,0,0|2,0,0]=4 406 B6R1.6 OCC1CCC1 SC-16736 [1,0,0,1,0,0|1,0,1]=4 407 B6R1.7 NCC1(O)CC1 SC-49870 [1,0,0,1,0,0|1,0,1]=4 408 B8R1.1 C=CC1COC(=O)O1 SC-15987 [0,1,0,1,0,0|1,0,1]=4 409 B8R1.1 OC[C@@H]1C[C@H](O)CO1 SC-83414 [0,1,0,1,0,0|1,0,1]=4 410 B8R1.4 CC1CC(O)CCO1 SC-15639 [0,1,0,1,0,0|0,0,2]=4 411 B8R1.4 CC1CCCC(=O)N1 SC-90092 [0,1,0,1,0,0|2,0,0]=4 412 B8R1.4 NC1=CC(=O)CCC1 SC-18537 [0,1,0,1,0,0|0,0,2]=4 413 B8R1.4 NC1CCCC(O)C1 SC-19361 [0,1,0,1,0,0|0,0,2]=4 414 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 SC-43595 [0,1,0,1,0,0|0,0,2]=4 415 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 SC-47974 [0,1,0,1,0,0|0,0,2]=4 416 B8R1.4 N[C@@H]1CCC[C@H](O)C1 SC-43598 [0,1,0,1,0,0|0,0,2]=4 417 B8R1.4 N[C@H]1CCC[C@@H](O)C1 SC-12531 [0,1,0,1,0,0|0,0,2]=4 418 B8R1.4 N[C@H]1CCC[C@@H](O)C1 SC-43597 [0,1,0,1,0,0|0,0,2]=4 419 B8R1.4 O=C1CC(O)CCN1 SC-14921 [0,1,0,1,0,0|1,0,1]=4 420 B8R1.4 O=C1CC(O)CCN1 SC-26449 [0,1,0,1,0,0|1,0,1]=4 421 B8R1.4 O=C1CCCC(O)C1 SC-52929 [0,1,0,1,0,0|0,0,1]=3 422 B8R1.51 CC1(C)C=CC(=O)C1 SC-91103 [0,1,0,1,0,0|0,0,2]=4 423 B8R1.2 BrCC1CCCCO1 SC-20895 [0,1,0,1,0,0|1,0,1]=4 424 B8R1.2 BrCC1CCCOC1 SC-44714 [0,1,0,1,0,0|1,0,1]=4 425 B8R1.2 CCC1CNCCO1 SC-61843 [0,1,0,1,0,0|0,0,2]=4 426 B8R1.2 CNC1CCCOC1 SC-35264 [0,1,0,1,0,0|1,0,1]=4 427 B8R1.2 COC1=CCCCC1 SC-28269 [0,1,0,1,0,0|0,0,2]=4 428 B8R1.2 COC1CCCNC1 SC-15522 [0,1,0,1,0,0|1,0,1]=4 429 B8R1.2 COC1CCCNC1 SC-45634 [0,1,0,1,0,0|1,0,1]=4 430 B8R1.2 NCC1CCCCO1 SC-27902 [0,1,0,1,0,0|1,0,1]=4 431 B8R1.2 NCC1CCCOC1 SC-35931 [0,1,0,1,0,0|1,0,1]=4 432 B8R1.2 NCC1CCCOC1 SC-85451 [0,1,0,1,0,0|1,0,1]=4 433 B8R1.2 NCC1CNCCO1 SC-90824 [0,1,0,1,0,0|1,0,1]=4 434 B8R1.2 NC[C@@H]1COCCO1 SC-A3387 [0,1,0,1,0,0|1,0,1]=4 435 B8R1.2 O=CC1=COCCC1 SC-46524 [0,1,0,1,0,0|1,0,1]=4 436 B8R1.2 O=CC1CCCCC1 SC-02305 [0,1,0,1,0,0|2,0,0]=4 437 B8R1.2 O=CC1CCCCN1 SC-29120 [0,1,0,1,0,0|2,0,0]=4 438 B8R1.2 O=CC1CCCOC1 SC-45114 [0,1,0,1,0,0|1,0,0]=3 439 B8R1.2 O=CC1CCNCC1 SC-21173 [0,1,0,1,0,0|2,0,0]=4 440 B8R1.2 O=CC1CCNCC1 SC-A3016 [0,1,0,1,0,0|2,0,0]=4 441 B8R1.2 O=CC1CCOCC1 SC-04900 [0,1,0,1,0,0|2,0,0]=4 442 B8R1.2 O=CC1CCSCC1 SC-96130 [0,1,0,1,0,0|2,0,0]=4 443 B8R1.2 OCC1CCCCC1 SC-00039 [0,1,0,1,0,0|0,0,2]=4 444 B8R1.2 OCC1CCCCO1 SC-00052 [0,1,0,1,0,0|1,0,1]=4 445 B8R1.2 OCC1CCCNC1 SC-04704 [0,1,0,1,0,0|1,0,1]=4 446 B8R1.2 OCC1CNCCO1 SC-66184 [0,1,0,1,0,0|1,0,1]=4 447 B8R1.2 OCC1CNCCO1 SC-88687 [0,1,0,1,0,0|1,0,1]=4 448 B8R1.2 OC[C@@H]1CNCCO1 SC-29296 [0,1,0,1,0,0|1,0,1]=4 449 B8R1.2 OC[C@@H]1CNCCO1 SC-66035 [0,1,0,1,0,0|1,0,1]=4 450 B8R1.2 OC[C@H]1CCCCN1 SC-83108 [0,1,0,1,0,0|1,0,1]=4 451 B8R1.2 OC[C@H]1CNCCO1 SC-14658 [0,1,0,1,0,0|1,0,1]=4 452 B8R1.2 OC[C@H]1CNCCO1 SC-93221 [0,1,0,1,0,0|1,0,1]=4 453 B8R1.2 OC[C@H]1COCCO1 SC-A2546 [0,1,0,1,0,0|1,0,1]=4 454 B8R1.2 ONC1CCCCC1 SC-A3793 [0,1,0,1,0,0|0,0,2]=4 455 B8R1.3 NC1CCC(O)CC1 SC-26489 [0,1,0,1,0,0|0,0,2]=4 456 B8R1.3 NC1CCC(O)CC1 SC-43558 [0,1,0,1,0,0|0,0,2]=4 457 B8R1.3 NC1CCC(O)CC1 SC-45530 [0,1,0,1,0,0|0,0,2]=4 458 B8R1.3 N[C@H]1CC[C@H](O)CC1 SC-03065 [0,1,0,1,0,0|0,0,2]=4 459 B8R1.3 N[C@H]1CC[C@H](O)CC1 SC-21292 [0,1,0,1,0,0|0,0,2]=4 460 B8R1.3 OC1CCC(O)CC1 SC-22723 [0,1,0,1,0,0|0,0,2]=4 461 B8R1.3 O[C@H]1CC[C@H](O)CC1 SC-51814 [0,1,0,1,0,0|0,0,2]=4 462 B8R1.5 CC1CCCCC1=O SC-20428 [0,1,0,1,0,0|1,0,1]=4 463 B8R1.5 NC1CCCCC1=O SC-22252 [0,1,0,1,0,0|1,0,1]=4 464 B8R1.5 NC1CCCCC1=O SC-84826 [0,1,0,1,0,0|1,0,1]=4 465 B8R1.5 NC1CCCCC1O SC-45073 [0,1,0,1,0,0|0,0,2]=4 466 B8R1.5 NC1CCCC[C@@H]1O SC-44498 [0,1,0,1,0,0|0,0,2]=4 467 B8R1.5 NC1CCCNC1=O SC-14514 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.5 NC1CCNCC1O SC-97873 [0,1,0,1,0,0|1,0,1]=4 469 B8R1.5 N[C@@H]1CCCC[C@H]1O SC-15016 [0,1,0,1,0,0|0,0,2]=4 470 B8R1.5 N[C@@H]1CCCC[C@H]1O SC-26535 [0,1,0,1,0,0|0,0,2]=4 471 B8R1.5 N[C@@H]1CCCNC1=O SC-48796 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.5 N[C@@H]1COCC[C@H]1O SC-20565 [0,1,0,1,0,0|1,0,1]=4 473 B8R1.5 N[C@H]1CCCC[C@@H]1O SC-26530 [0,1,0,1,0,0|0,0,2]=4 474 B8R1.5 N[C@H]1CCCC[C@H]1O SC-26560 [0,1,0,1,0,0|0,0,2]=4 475 B8R1.5 N[C@H]1CCCC[C@H]1O SC-35500 [0,1,0,1,0,0|0,0,2]=4 476 B8R1.5 N[C@H]1CCCC[C@H]1O SC-70916 [0,1,0,1,0,0|0,0,2]=4 477 B8R1.5 N[C@H]1CCCC[C@H]1O SC-99850 [0,1,0,1,0,0|0,0,2]=4 478 B8R1.5 N[C@H]1CCCNC1=O SC-27263 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.5 O=C1CCCCC1Br SC-86496 [0,1,0,1,0,0|1,0,1]=4 480 B8R1.5 O=C1CCCCC1Cl SC-20977 [0,1,0,1,0,0|1,0,1]=4 481 B8R1.5 O=C1CCCCC1O SC-49144 [0,1,0,1,0,0|0,0,1]=3 482 B8R1.5 O=C1CCNCC1Br SC-94331 [0,1,0,1,0,0|2,0,0]=4 483 B8R1.5 O=C1CCOCC1Br SC-33711 [0,1,0,1,0,0|2,0,0]=4 484 B8R1.5 O=C1NCCCC1O SC-14922 [0,1,0,1,0,0|1,0,0]=3 485 B8R1.5 O[C@@H]1CCCC[C@H]1O SC-20091 [0,1,0,1,0,0|0,0,2]=4 486 B8R1.5 O[C@H]1CCCC[C@H]1O SC-95524 [0,1,0,1,0,0|0,0,2]=4 487 B8R1.22 O=C1C=CCCCC1 SC-99582 [0,1,0,1,0,0|0,0,2]=4 488 B8R1.50 CN1CCC(N)C1=O SC-25143 [0,1,0,1,0,0|2,0,0]=4 489 B8R1.52 C#CC1(O)CCCC1 SC-86923 [0,1,0,1,0,0|0,0,2]=4 490 B8R1.52 NCC1(O)CCCC1 SC-84863 [0,1,0,1,0,0|1,0,1]=4 491 B8R1.7 C=C(C)C1=NCCO1 SC-47290 [0,1,0,1,0,0|1,0,1]=4 492 B8R1.7 CC(=O)C1CCCC1 SC-69830 [0,1,0,1,0,0|1,0,1]=4 493 B8R1.7 NC(=O)C1CCCN1 SC-24789 [0,1,0,1,0,0|2,0,0]=4 494 B8R1.7 NC(=O)[C@@H]1CCCN1 SC-06632 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.7 O=C(Cl)C1CCCC1 SC-45320 [0,1,0,1,0,0|2,0,0]=4 496 B8R1.7 O=C(O)C1CCCC1 SC-18675 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.7 O=C(O)C1CCCN1 SC-09807 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.7 O=C(O)C1CCCO1 SC-A4307 [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|2,0,0]=4 500 B8R1.7 O=C(O)[C@H]1CCCN1 SC-09805 [0,1,0,1,0,0|2,0,0]=4 501 B8R1.7 O=C(O)[C@H]1CCCO1 SC-07092 [0,1,0,1,0,0|1,0,0]=3 502 B8R1.7 [C@H]1(C(N)=O)CCCN1 SC-13550 [0,1,0,1,0,0|2,0,0]=4 503 B8R1.23 CC1CC(C(=O)O)C1 SC-73078 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.54 NC(C(=O)O)C1CC1 SC-45627 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.54 N[C@H](C(=O)O)C1CC1 SC-20216 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.78 CC1(C(=O)O)CCC1 SC-25545 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.78 NC1(C(=O)O)CCC1 SC-21579 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.78 NC1(C(=O)O)CCC1 SC-25077 [0,1,0,1,0,0|2,0,0]=4 509 B8R1.78 NC1(C(=O)O)CCC1 SC-53797 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.78 O=C(O)C1(Br)CCC1 SC-65747 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.8 BrCCC1=COC=C1 SC-21610 [0,1,0,1,0,0|1,0,1]=4 512 B8R1.8 CNCC1=CC=CO1 SC-48844 [0,1,0,1,0,0|1,0,1]=4 513 B8R1.8 CNCC1=NOC=C1 SC-53177 [0,1,0,1,0,0|1,0,1]=4 514 B8R1.11 C=CN1CCCC1=O SC-47246 [0,1,0,1,0,0|0,0,2]=4 515 B8R1.11 CN1CCC[C@H]1CO SC-03638 [0,1,0,1,0,0|1,0,1]=4 516 B8R1.11 N#CC1CCCC1=O SC-46105 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.11 N[C@H]1CCC[C@H]1CO SC-20351 [0,1,0,1,0,0|1,0,1]=4 518 B8R1.72 CC1(O)CCCCC1 SC-44648 [0,1,0,1,0,0|0,0,2]=4 519 B8R2.34 C1=CC2C=CC1C2 SC-49716 [0,0,0,2,0,0|1,0,1]=4 520 B8R2.34 C1=CC2CCC1C2 SC-49283 [0,0,0,2,0,0|1,0,0]=3 521 B8R2.34 C1O[C@@H]2CN[C@H]1C2 SC-35864 [0,0,0,2,0,0|1,0,1]=4 522 B8R2.34 [C@@H]12CO[C@@H](CN1)C2 SC-51029 [0,0,0,2,0,0|1,0,1]=4 523 B8R2.34 [C@H]12CO[C@H](CN1)C2 SC-48245 [0,0,0,2,0,0|1,0,1]=4 524 B8R2.23 C1NCC2CC1O2 SC-51309 [0,0,0,2,0,0|1,0,1]=4 525 B8R2.23 C1NCC2CC1O2 SC-B3877 [0,0,0,2,0,0|1,0,1]=4