0 B6R1.2 BrC1=CC=CO1 SC-46529 [0,0,0,0,0,0|1,0,3]=4 1 B6R1.2 BrC1CCNC1 SC-24702 [0,0,0,0,0,0|3,0,1]=4 2 B6R1.2 BrC1CCOC1 SC-49709 [0,0,0,0,0,0|3,0,1]=4 3 B6R1.2 CC1=CC=NO1 SC-47380 [0,0,0,0,0,0|2,0,2]=4 4 B6R1.2 CC1=CCCC1 SC-46849 [0,0,0,0,0,0|2,0,0]=2 5 B6R1.2 CC1=CCCO1 SC-69814 [0,0,0,0,0,0|1,0,1]=2 6 B6R1.2 CC1=NC=CO1 SC-94134 [0,0,0,0,0,0|2,0,2]=4 7 B6R1.2 CC1=NCCC1 SC-07079 [0,0,0,0,0,0|2,0,0]=2 8 B6R1.2 CC1=NN=CO1 SC-28093 [0,0,0,0,0,0|3,0,1]=4 9 B6R1.2 CC1CCCN1 SC-89376 [0,0,0,0,0,0|2,0,1]=3 10 B6R1.2 CC1CCCN1 SC-A3822 [0,0,0,0,0,0|2,0,1]=3 11 B6R1.2 CC1CCNC1 SC-24125 [0,0,0,0,0,0|3,0,1]=4 12 B6R1.2 CC1CCNC1 SC-49333 [0,0,0,0,0,0|3,0,1]=4 13 B6R1.2 CN1CCCC1 SC-19022 [0,0,0,0,0,0|3,0,0]=3 14 B6R1.2 C[C@@H]1CCNC1 SC-23714 [0,0,0,0,0,0|3,0,1]=4 15 B6R1.2 C[C@@H]1CCNC1 SC-50232 [0,0,0,0,0,0|3,0,1]=4 16 B6R1.2 C[C@H]1CCCN1 SC-95860 [0,0,0,0,0,0|2,0,1]=3 17 B6R1.2 C[C@H]1CCNC1 SC-50233 [0,0,0,0,0,0|3,0,1]=4 18 B6R1.2 ClP1OCCO1 SC-09222 [0,0,0,0,0,0|3,0,0]=3 19 B6R1.2 FC1CCCC1 SC-09548 [0,0,0,0,0,0|2,0,1]=3 20 B6R1.2 FC1CCNC1 SC-28940 [0,0,0,0,0,0|3,0,1]=4 21 B6R1.2 F[C@H]1CCNC1 SC-43922 [0,0,0,0,0,0|3,0,1]=4 22 B6R1.2 IC1=CC=CO1 SC-99803 [0,0,0,0,0,0|1,0,3]=4 23 B6R1.2 NC1=CC=CO1 SC-21679 [0,0,0,0,0,0|1,0,3]=4 24 B6R1.2 NC1=CC=NO1 SC-66242 [0,0,0,0,0,0|2,0,2]=4 25 B6R1.2 NC1=CN=CO1 SC-14976 [0,0,0,0,0,0|2,0,2]=4 26 B6R1.2 NC1=NC=CO1 SC-26958 [0,0,0,0,0,0|2,0,2]=4 27 B6R1.2 NC1=NCCC1 SC-68430 [0,0,0,0,0,0|2,0,0]=2 28 B6R1.2 NC1=NCCO1 SC-89542 [0,0,0,0,0,0|2,0,0]=2 29 B6R1.2 NC1=NN=CO1 SC-43363 [0,0,0,0,0,0|3,0,1]=4 30 B6R1.2 NC1CCCC1 SC-84758 [0,0,0,0,0,0|2,0,1]=3 31 B6R1.2 NC1CCNC1 SC-18208 [0,0,0,0,0,0|3,0,1]=4 32 B6R1.2 NC1CCNC1 SC-62350 [0,0,0,0,0,0|3,0,1]=4 33 B6R1.2 NC1CCOC1 SC-12746 [0,0,0,0,0,0|3,0,1]=4 34 B6R1.2 NC1CCOC1 SC-35465 [0,0,0,0,0,0|3,0,1]=4 35 B6R1.2 NN1CCCC1 SC-01559 [0,0,0,0,0,0|3,0,0]=3 36 B6R1.2 NN1CCCC1 SC-65336 [0,0,0,0,0,0|3,0,0]=3 37 B6R1.2 N[C@@H]1CCOC1 SC-14942 [0,0,0,0,0,0|3,0,1]=4 38 B6R1.2 N[C@@H]1CCOC1 SC-26567 [0,0,0,0,0,0|3,0,1]=4 39 B6R1.2 N[C@H]1CCOC1 SC-14943 [0,0,0,0,0,0|3,0,1]=4 40 B6R1.2 O=C1C=CCC1 SC-07348 [0,0,0,0,0,0|1,0,1]=2 41 B6R1.2 O=C1C=CCN1 SC-67116 [0,0,0,0,0,0|1,0,2]=3 42 B6R1.2 O=C1C=CCO1 SC-50260 [0,0,0,0,0,0|0,0,2]=2 43 B6R1.2 O=C1C=CSN1 SC-14961 [0,0,0,0,0,0|2,0,2]=4 44 B6R1.2 O=C1CC=NN1 SC-89969 [0,0,0,0,0,0|2,0,1]=3 45 B6R1.2 O=C1CCCN1 SC-85210 [0,0,0,0,0,0|1,0,0]=1 46 B6R1.2 O=C1CCNC1 SC-24328 [0,0,0,0,0,0|2,0,0]=2 47 B6R1.2 O=C1CCNC1 SC-50749 [0,0,0,0,0,0|2,0,0]=2 48 B6R1.2 O=C1CCNN1 SC-21405 [0,0,0,0,0,0|2,0,0]=2 49 B6R1.2 O=C1CCOC1 SC-21867 [0,0,0,0,0,0|2,0,0]=2 50 B6R1.2 O=C1N=CNN1 SC-15326 [0,0,0,0,0,0|3,0,1]=4 51 B6R1.2 O=C1NCCO1 SC-04833 [0,0,0,0,0,0|1,0,0]=1 52 B6R1.2 O=C1NCCS1 SC-27050 [0,0,0,0,0,0|1,1,0]=2 53 B6R1.2 O=C1OC=CO1 SC-15988 [0,0,0,0,0,0|1,0,2]=3 54 B6R1.2 O=S1OCCO1 SC-15793 [0,0,0,0,0,0|2,0,0]=2 55 B6R1.2 OC1=NNCC1 SC-23225 [0,0,0,0,0,0|2,0,1]=3 56 B6R1.2 OC1CCCN1 SC-21341 [0,0,0,0,0,0|1,0,2]=3 57 B6R1.2 OC1CCNC1 SC-00623 [0,0,0,0,0,0|2,0,2]=4 58 B6R1.2 OC1CCNC1 SC-19629 [0,0,0,0,0,0|2,0,2]=4 59 B6R1.2 OC1CCNC1 SC-24957 [0,0,0,0,0,0|2,0,2]=4 60 B6R1.2 OC1CCNC1 SC-27708 [0,0,0,0,0,0|2,0,2]=4 61 B6R1.2 OC1CCOC1 SC-17875 [0,0,0,0,0,0|2,0,2]=4 62 B6R1.2 O[C@@H]1CCNC1 SC-00194 [0,0,0,0,0,0|2,0,2]=4 63 B6R1.2 O[C@@H]1CCNC1 SC-13984 [0,0,0,0,0,0|2,0,2]=4 64 B6R1.2 O[C@@H]1CCOC1 SC-07022 [0,0,0,0,0,0|2,0,2]=4 65 B6R1.2 O[C@H]1CCOC1 SC-08982 [0,0,0,0,0,0|2,0,2]=4 66 B6R1.2 O[C@H]1CCOC1 SC-50082 [0,0,0,0,0,0|2,0,2]=4 67 B6R1.2 [C@@H]1(C)CCCN1 SC-48604 [0,0,0,0,0,0|2,0,1]=3 68 B6R1.2 [C@H]1(O)CCNC1 SC-24229 [0,0,0,0,0,0|2,0,2]=4 69 B5R1.1 C1=CCC=C1 SC-76630 [1,0,0,0,0,0|1,0,2]=4 70 B5R1.1 C1=CCCC1 SC-18920 [1,0,0,0,0,0|1,0,0]=2 71 B5R1.1 C1=CCOC1 SC-47076 [1,0,0,0,0,0|2,0,0]=3 72 B5R1.1 C1=CNCC1 SC-88946 [1,0,0,0,0,0|1,0,1]=3 73 B5R1.1 C1=CON=C1 SC-03143 [1,0,0,0,0,0|1,0,2]=4 74 B5R1.1 C1=NN=CO1 SC-51209 [1,0,0,0,0,0|2,0,1]=4 75 B5R1.1 C1CSCN1 SC-91699 [1,0,0,0,0,0|1,1,1]=4 76 B5R1.1 [C-]1=CC=CC1 SC-15776 [1,0,0,0,0,0|1,0,2]=4 77 B7R1.1 BrCC1CCCC1 SC-04017 [0,1,0,0,0,0|2,0,1]=4 78 B7R1.1 BrCC1CCCO1 SC-00526 [0,1,0,0,0,0|1,0,1]=3 79 B7R1.1 C#CC1CCCC1 SC-82441 [0,1,0,0,0,0|2,0,1]=4 80 B7R1.1 CCC1CCCN1 SC-29181 [0,1,0,0,0,0|2,0,1]=4 81 B7R1.1 CNC1CCCC1 SC-52894 [0,1,0,0,0,0|2,0,1]=4 82 B7R1.1 CNC1CCCC1 SC-A3381 [0,1,0,0,0,0|2,0,1]=4 83 B7R1.1 COC1=NCCC1 SC-72634 [0,1,0,0,0,0|1,0,1]=3 84 B7R1.1 N#CC1CCCC1 SC-84423 [0,1,0,0,0,0|2,0,1]=4 85 B7R1.1 N#CC1CCCN1 SC-70822 [0,1,0,0,0,0|2,0,1]=4 86 B7R1.1 N#C[C@H]1CCCN1 SC-72638 [0,1,0,0,0,0|2,0,1]=4 87 B7R1.1 NCC1CCCC1 SC-22285 [0,1,0,0,0,0|2,0,1]=4 88 B7R1.1 NCC1CCCC1 SC-25234 [0,1,0,0,0,0|2,0,1]=4 89 B7R1.1 NCC1CCCN1 SC-98158 [0,1,0,0,0,0|2,0,1]=4 90 B7R1.1 NC[C@@H]1CCCO1 SC-28608 [0,1,0,0,0,0|1,0,1]=3 91 B7R1.1 NNC1CCCC1 SC-12771 [0,1,0,0,0,0|2,0,1]=4 92 B7R1.1 NNC1CCCC1 SC-62645 [0,1,0,0,0,0|2,0,1]=4 93 B7R1.1 O=CC1=CC=NO1 SC-26223 [0,1,0,0,0,0|1,0,2]=4 94 B7R1.1 O=CC1=CN=CO1 SC-91872 [0,1,0,0,0,0|1,0,2]=4 95 B7R1.1 O=CC1=NC=CO1 SC-14503 [0,1,0,0,0,0|1,0,2]=4 96 B7R1.1 O=CC1CCCC1 SC-21778 [0,1,0,0,0,0|1,0,1]=3 97 B7R1.1 O=CC1CCCC1 SC-44728 [0,1,0,0,0,0|1,0,1]=3 98 B7R1.1 O=CC1CCNC1 SC-85271 [0,1,0,0,0,0|2,0,1]=4 99 B7R1.1 OCC1CCCC1 SC-03842 [0,1,0,0,0,0|1,0,2]=4 100 B7R1.1 OCC1CCCN1 SC-12006 [0,1,0,0,0,0|1,0,2]=4 101 B7R1.1 OCC1CCCO1 SC-94849 [0,1,0,0,0,0|0,0,2]=3 102 B7R1.1 OC[C@@H]1CCCN1 SC-02696 [0,1,0,0,0,0|1,0,2]=4 103 B7R1.1 OC[C@@H]1CCCN1 SC-48321 [0,1,0,0,0,0|1,0,2]=4 104 B7R1.1 OC[C@@H]1CCCO1 SC-20330 [0,1,0,0,0,0|0,0,2]=3 105 B7R1.1 OC[C@H]1CCCN1 SC-06270 [0,1,0,0,0,0|1,0,2]=4 106 B7R1.2 CC1=CC(=O)CC1 SC-18727 [0,1,0,0,0,0|1,0,1]=3 107 B7R1.2 CC1=CC(=O)OC1 SC-25541 [0,1,0,0,0,0|0,0,2]=3 108 B7R1.2 CC1CCC(=O)C1 SC-93748 [0,1,0,0,0,0|1,0,0]=2 109 B7R1.2 CC1CNC(=O)C1 SC-50248 [0,1,0,0,0,0|1,0,0]=2 110 B7R1.2 CC1COC(=O)C1 SC-60836 [0,1,0,0,0,0|0,0,0]=1 111 B7R1.2 CC1COC(=O)O1 SC-65189 [0,1,0,0,0,0|1,0,0]=2 112 B7R1.2 CN1CCC(N)C1 SC-48840 [0,1,0,0,0,0|3,0,0]=4 113 B7R1.2 CN1CC[C@@H](O)C1 SC-49684 [0,1,0,0,0,0|3,0,0]=4 114 B7R1.2 CN1CC[C@H](O)C1 SC-23905 [0,1,0,0,0,0|3,0,0]=4 115 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [0,1,0,0,0,0|1,0,0]=2 116 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [0,1,0,0,0,0|1,0,0]=2 117 B7R1.2 N=C1NC(=O)CS1 SC-69631 [0,1,0,0,0,0|2,0,1]=4 118 B7R1.2 NC1CCC(O)C1 SC-47773 [0,1,0,0,0,0|1,0,2]=4 119 B7R1.2 NC1CCC(O)C1 SC-47979 [0,1,0,0,0,0|1,0,2]=4 120 B7R1.2 NC1CCC(O)C1 SC-49660 [0,1,0,0,0,0|1,0,2]=4 121 B7R1.2 NC1CCC(O)C1 SC-51126 [0,1,0,0,0,0|1,0,2]=4 122 B7R1.2 NC1CCC(O)C1 SC-92977 [0,1,0,0,0,0|1,0,2]=4 123 B7R1.2 NC1CNC(=O)C1 SC-66063 [0,1,0,0,0,0|1,0,0]=2 124 B7R1.2 NC1COC(=O)C1 SC-34183 [0,1,0,0,0,0|0,0,0]=1 125 B7R1.2 N[C@@H]1CC[C@H](O)C1 SC-83316 [0,1,0,0,0,0|1,0,2]=4 126 B7R1.2 N[C@@H]1CNC(=O)C1 SC-A4379 [0,1,0,0,0,0|1,0,0]=2 127 B7R1.2 N[C@@H]1COC(=O)C1 SC-71558 [0,1,0,0,0,0|0,0,0]=1 128 B7R1.2 N[C@H]1CC[C@@H](O)C1 SC-42369 [0,1,0,0,0,0|1,0,2]=4 129 B7R1.2 N[C@H]1CC[C@@H](O)C1 SC-47775 [0,1,0,0,0,0|1,0,2]=4 130 B7R1.2 N[C@H]1CC[C@H](O)C1 SC-47774 [0,1,0,0,0,0|1,0,2]=4 131 B7R1.2 N[C@H]1CC[C@H](O)C1 SC-93243 [0,1,0,0,0,0|1,0,2]=4 132 B7R1.2 O=C1C=C(O)CO1 SC-21646 [0,1,0,0,0,0|0,0,2]=3 133 B7R1.2 O=C1CC(O)CN1 SC-29049 [0,1,0,0,0,0|1,0,0]=2 134 B7R1.2 O=C1CCC(=O)C1 SC-15331 [0,1,0,0,0,0|1,0,1]=3 135 B7R1.2 O=C1CCC(=O)N1 SC-26697 [0,1,0,0,0,0|1,0,1]=3 136 B7R1.2 O=C1CNC(=O)C1 SC-88883 [0,1,0,0,0,0|1,0,1]=3 137 B7R1.2 O=C1CNC(=O)O1 SC-21301 [0,1,0,0,0,0|1,0,1]=3 138 B7R1.2 O=C1COC(=O)C1 SC-86968 [0,1,0,0,0,0|0,0,1]=2 139 B7R1.2 O=C1COC(=O)N1 SC-49693 [0,1,0,0,0,0|1,0,1]=3 140 B7R1.2 O=C1CSC(=O)N1 SC-17499 [0,1,0,0,0,0|1,1,1]=4 141 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [0,1,0,0,0,0|1,0,0]=2 142 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [0,1,0,0,0,0|1,0,0]=2 143 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [0,1,0,0,0,0|0,0,0]=1 144 B7R1.4 C=C1CCOC1=O SC-19579 [0,1,0,0,0,0|0,0,1]=2 145 B7R1.4 CC1=CCCC1=O SC-15856 [0,1,0,0,0,0|1,0,1]=3 146 B7R1.4 CC1CCCC1=O SC-89605 [0,1,0,0,0,0|1,0,0]=2 147 B7R1.4 CC1CCNC1=O SC-21672 [0,1,0,0,0,0|1,0,0]=2 148 B7R1.4 CC1CCOC1=O SC-20996 [0,1,0,0,0,0|0,0,0]=1 149 B7R1.4 CN1CCNC1=O SC-89793 [0,1,0,0,0,0|2,0,0]=3 150 B7R1.4 NC1CCCC1O SC-21764 [0,1,0,0,0,0|1,0,2]=4 151 B7R1.4 NC1CCNC1=O SC-13910 [0,1,0,0,0,0|1,0,0]=2 152 B7R1.4 NC1CCNC1=O SC-53072 [0,1,0,0,0,0|1,0,0]=2 153 B7R1.4 N[C@@H]1CCNC1=O SC-65959 [0,1,0,0,0,0|1,0,0]=2 154 B7R1.4 N[C@@H]1CCNC1=O SC-A2225 [0,1,0,0,0,0|1,0,0]=2 155 B7R1.4 N[C@@H]1CCOC1=O SC-28003 [0,1,0,0,0,0|0,0,0]=1 156 B7R1.4 N[C@H]1CCC[C@@H]1O SC-27686 [0,1,0,0,0,0|1,0,2]=4 157 B7R1.4 N[C@H]1CCC[C@H]1N SC-83490 [0,1,0,0,0,0|2,0,1]=4 158 B7R1.4 N[C@H]1CCNC1=O SC-96457 [0,1,0,0,0,0|1,0,0]=2 159 B7R1.4 N[C@H]1CCOC1=O SC-01385 [0,1,0,0,0,0|0,0,0]=1 160 B7R1.4 N[C@H]1CCOC1=O SC-28113 [0,1,0,0,0,0|0,0,0]=1 161 B7R1.4 O=C1CCCC1Cl SC-21538 [0,1,0,0,0,0|1,0,0]=2 162 B7R1.4 O=C1NCCC1O SC-26159 [0,1,0,0,0,0|1,0,0]=2 163 B7R1.4 O=C1NCC[C@H]1O SC-87526 [0,1,0,0,0,0|1,0,0]=2 164 B7R1.4 O=C1OCCC1Br SC-15437 [0,1,0,0,0,0|0,0,0]=1 165 B7R1.4 O[C@@H]1CCC[C@H]1O SC-A2623 [0,1,0,0,0,0|1,0,2]=4 166 B7R1.4 [C@@H]1(N)CCC[C@H]1O SC-16146 [0,1,0,0,0,0|1,0,2]=4 167 B7R1.4 [C@H]1(N)CCC[C@H]1O SC-25435 [0,1,0,0,0,0|1,0,2]=4 168 B7R1.14 CC1(C)CCCN1 SC-89406 [0,1,0,0,0,0|2,0,1]=4 169 B7R1.14 CP1(=O)C=CCO1 SC-93562 [0,1,0,0,0,0|1,0,2]=4 170 B7R1.14 ClC1(Cl)CCCC1 SC-51368 [0,1,0,0,0,0|2,0,1]=4 171 B7R1.14 O=S1(=O)C=CCO1 SC-86633 [0,1,0,0,0,0|1,0,2]=4 172 B7R1.14 O=S1(=O)CCCC1 SC-46369 [0,1,0,0,0,0|2,0,0]=3 173 B7R1.14 O=S1(=O)CCCN1 SC-82164 [0,1,0,0,0,0|2,0,0]=3 174 B7R1.14 O=S1(=O)CCCO1 SC-17901 [0,1,0,0,0,0|1,0,0]=2 175 B7R1.14 O=S1(=O)OCCO1 SC-15792 [0,1,0,0,0,0|2,0,0]=3 176 B5R0.1 C#CCC(=O)O SC-40344 [0,0,1,0,0,0|0,0,2]=3 177 B5R0.1 C=C(C)CCBr SC-26305 [0,0,1,0,0,0|3,0,0]=4 178 B5R0.1 C=C(C)OCC SC-18086 [0,0,1,0,0,0|1,0,0]=2 179 B5R0.1 C=CCC(=O)O SC-49093 [0,0,1,0,0,0|0,0,2]=3 180 B5R0.1 C=COC(C)=O SC-79059 [0,0,1,0,0,0|0,0,2]=3 181 B5R0.1 CC#CC(=O)O SC-76460 [0,0,1,0,0,0|0,0,2]=3 182 B5R0.1 CC(=O)CC#N SC-26510 [0,0,1,0,0,0|2,0,1]=4 183 B5R0.1 CC(=O)CCCl SC-21586 [0,0,1,0,0,0|2,0,0]=3 184 B5R0.1 CC(=O)CCO SC-65678 [0,0,1,0,0,0|2,0,0]=3 185 B5R0.1 CC(=O)OCBr SC-44237 [0,0,1,0,0,0|1,0,0]=2 186 B5R0.1 CC(=O)\C=N/O SC-89466 [0,0,1,0,0,0|3,0,0]=4 187 B5R0.1 CC(=O)\C=N\O SC-68143 [0,0,1,0,0,0|3,0,0]=4 188 B5R0.1 CC(C)=CCBr SC-13678 [0,0,1,0,0,0|3,0,0]=4 189 B5R0.1 CC(C)=CCN SC-51952 [0,0,1,0,0,0|3,0,0]=4 190 B5R0.1 CC(C)=CCO SC-77150 [0,0,1,0,0,0|3,0,0]=4 191 B5R0.1 CCCB(O)O SC-47544 [0,0,1,0,0,0|1,0,1]=3 192 B5R0.1 CCCC(=N)N SC-19347 [0,0,1,0,0,0|2,0,0]=3 193 B5R0.1 CCCC(=O)Cl SC-18924 [0,0,1,0,0,0|1,0,0]=2 194 B5R0.1 CCCC(=O)[O-] SC-15718 [0,0,1,0,0,0|0,0,1]=2 195 B5R0.1 CCCC(C)N SC-53929 [0,0,1,0,0,0|2,0,1]=4 196 B5R0.1 CCCC(C)O SC-03320 [0,0,1,0,0,0|1,0,1]=3 197 B5R0.1 CCCC(N)=O SC-46377 [0,0,1,0,0,0|1,0,0]=2 198 B5R0.1 CCN=C(N)N SC-15057 [0,0,1,0,0,0|3,0,0]=4 199 B5R0.1 CCNC(C)C SC-84122 [0,0,1,0,0,0|2,0,1]=4 200 B5R0.1 CCOC(=S)[S-] SC-62877 [0,0,1,0,0,0|1,1,0]=3 201 B5R0.1 CCOC(C)=N SC-02547 [0,0,1,0,0,0|1,0,0]=2 202 B5R0.1 CCOC(C)=N SC-A3540 [0,0,1,0,0,0|1,0,0]=2 203 B5R0.1 CCOC(N)=O SC-16133 [0,0,1,0,0,0|1,0,0]=2 204 B5R0.1 CCSC(=N)N SC-20585 [0,0,1,0,0,0|2,1,0]=4 205 B5R0.1 CCSC(=N)N SC-53442 [0,0,1,0,0,0|2,1,0]=4 206 B5R0.1 CNCC(=O)O SC-10425 [0,0,1,0,0,0|1,0,0]=2 207 B5R0.1 CNCC(N)=O SC-10429 [0,0,1,0,0,0|2,0,0]=3 208 B5R0.1 COCC(=N)N SC-41213 [0,0,1,0,0,0|3,0,0]=4 209 B5R0.1 COCC(=N)N SC-73218 [0,0,1,0,0,0|3,0,0]=4 210 B5R0.1 COCC(=O)Cl SC-27381 [0,0,1,0,0,0|2,0,0]=3 211 B5R0.1 COCC(C)O SC-00293 [0,0,1,0,0,0|2,0,1]=4 212 B5R0.1 COC[C@@H](C)O SC-04836 [0,0,1,0,0,0|2,0,1]=4 213 B5R0.1 CS(=O)CCN SC-89327 [0,0,1,0,0,0|3,0,0]=4 214 B5R0.1 CSCS(C)=O SC-87090 [0,0,1,0,0,0|3,0,0]=4 215 B5R0.1 CSNC(C)=O SC-28667 [0,0,1,0,0,0|2,0,0]=3 216 B5R0.1 C[C@@H](O)CCO SC-05919 [0,0,1,0,0,0|2,0,1]=4 217 B5R0.1 C[C@H](O)CCO SC-02840 [0,0,1,0,0,0|2,0,1]=4 218 B5R0.1 C\C=C/C(=O)O SC-25924 [0,0,1,0,0,0|0,0,2]=3 219 B5R0.1 C\C=C/C(C)=O SC-48085 [0,0,1,0,0,0|1,0,1]=3 220 B5R0.1 C\C=C\C(=O)Cl SC-16256 [0,0,1,0,0,0|1,0,2]=4 221 B5R0.1 N#CCC(=O)O SC-18648 [0,0,1,0,0,0|1,0,1]=3 222 B5R0.1 N#CCC(N)=O SC-26759 [0,0,1,0,0,0|2,0,1]=4 223 B5R0.1 NCCC(=O)O SC-10014 [0,0,1,0,0,0|1,0,0]=2 224 B5R0.1 NCCC(N)=O SC-48688 [0,0,1,0,0,0|2,0,0]=3 225 B5R0.1 NCCC(N)=O SC-84499 [0,0,1,0,0,0|2,0,0]=3 226 B5R0.1 O=C(Cl)CCCl SC-16310 [0,0,1,0,0,0|2,0,0]=3 227 B5R0.1 O=C(O)CCBr SC-18441 [0,0,1,0,0,0|1,0,0]=2 228 B5R0.1 O=C(O)CCS SC-22642 [0,0,1,0,0,0|1,0,0]=2 229 B5R0.2 C#CCCCCl SC-46678 [0,0,1,0,0,0|2,0,1]=4 230 B5R0.2 C#CCCCI SC-A2786 [0,0,1,0,0,0|2,0,1]=4 231 B5R0.2 C#CCCCN SC-48603 [0,0,1,0,0,0|2,0,1]=4 232 B5R0.2 C#CCCCN SC-99931 [0,0,1,0,0,0|2,0,1]=4 233 B5R0.2 C=CCCCBr SC-47340 [0,0,1,0,0,0|2,0,0]=3 234 B5R0.2 C=CCCCN SC-28944 [0,0,1,0,0,0|2,0,0]=3 235 B5R0.2 C=CCCCO SC-78424 [0,0,1,0,0,0|1,0,0]=2 236 B5R0.2 C=COCCO SC-22660 [0,0,1,0,0,0|2,0,0]=3 237 B5R0.2 CC#CCC=O SC-89818 [0,0,1,0,0,0|1,0,2]=4 238 B5R0.2 CCCCNN SC-68008 [0,0,1,0,0,0|3,0,0]=4 239 B5R0.2 CNCCCO SC-94106 [0,0,1,0,0,0|2,0,0]=3 240 B5R0.2 COCCC=O SC-85357 [0,0,1,0,0,0|2,0,0]=3 241 B5R0.2 COCCCBr SC-20920 [0,0,1,0,0,0|3,0,0]=4 242 B5R0.2 C\C=C\OCC SC-89361 [0,0,1,0,0,0|3,0,0]=4 243 B5R0.2 ClCCCCBr SC-17538 [0,0,1,0,0,0|2,0,1]=4 244 B5R0.2 FCCCCBr SC-43880 [0,0,1,0,0,0|2,0,1]=4 245 B5R0.2 ICCCCI SC-69402 [0,0,1,0,0,0|2,0,1]=4 246 B5R0.2 N#CCCCBr SC-20060 [0,0,1,0,0,0|2,0,1]=4 247 B5R0.2 N#CCCCCl SC-16423 [0,0,1,0,0,0|2,0,1]=4 248 B5R0.2 NCCCCCl SC-14246 [0,0,1,0,0,0|2,0,1]=4 249 B5R0.2 NCCCCN SC-20919 [0,0,1,0,0,0|2,0,1]=4 250 B5R0.2 NCCCCO SC-48186 [0,0,1,0,0,0|1,0,1]=3 251 B5R0.2 O=C=NCCBr SC-82407 [0,0,1,0,0,0|2,0,1]=4 252 B5R0.2 O=C=NCCCl SC-13627 [0,0,1,0,0,0|2,0,1]=4 253 B5R0.2 O=CCCC=O SC-13455 [0,0,1,0,0,0|0,0,2]=3 254 B5R0.2 O=CCCCBr SC-69595 [0,0,1,0,0,0|1,0,0]=2 255 B5R0.2 OCCCCBr SC-12645 [0,0,1,0,0,0|1,0,1]=3 256 B5R0.2 OCCCCCl SC-23109 [0,0,1,0,0,0|1,0,1]=3 257 B5R0.2 [N-]=[N+]=NCCO SC-88730 [0,0,1,0,0,0|3,0,0]=4 258 B5R0.3 C#CC(=O)OC SC-27849 [0,0,1,0,0,0|0,0,2]=3 259 B5R0.3 CCC(=O)NN SC-25039 [0,0,1,0,0,0|2,0,0]=3 260 B5R0.3 CCC(N)CC SC-81736 [0,0,1,0,0,0|2,0,1]=4 261 B5R0.3 CCC(O)CC SC-62307 [0,0,1,0,0,0|1,0,2]=4 262 B5R0.3 CC[PH](=O)CC SC-96905 [0,0,1,0,0,0|2,0,0]=3 263 B5R0.3 CC\C(N)=N\O SC-28960 [0,0,1,0,0,0|3,0,0]=4 264 B5R0.3 CNC(=O)CBr SC-27946 [0,0,1,0,0,0|2,0,0]=3 265 B5R0.3 CNC(=O)CN SC-47802 [0,0,1,0,0,0|2,0,0]=3 266 B5R0.3 CNC(=O)OC SC-97890 [0,0,1,0,0,0|1,0,0]=2 267 B5R0.3 COC(=O)C#N SC-49091 [0,0,1,0,0,0|1,0,1]=3 268 B5R0.3 COC(=O)CBr SC-15855 [0,0,1,0,0,0|1,0,0]=2 269 B5R0.3 COC(=O)CN SC-09571 [0,0,1,0,0,0|1,0,0]=2 270 B5R0.3 COC(=O)CN SC-49390 [0,0,1,0,0,0|1,0,0]=2 271 B5R0.3 COC(=O)CO SC-28291 [0,0,1,0,0,0|1,0,0]=2 272 B5R0.3 COC(=O)CS SC-54102 [0,0,1,0,0,0|1,0,0]=2 273 B5R0.3 COC(C)CN SC-A4864 [0,0,1,0,0,0|2,0,1]=4 274 B5R0.3 COS(=O)OC SC-25522 [0,0,1,0,0,0|2,0,0]=3 275 B5R0.3 CO[C@H](C)CO SC-71357 [0,0,1,0,0,0|2,0,1]=4 276 B5R0.3 CSC(=S)SC SC-19457 [0,0,1,0,0,0|1,2,0]=4 277 B5R0.3 NNC(=O)CO SC-83204 [0,0,1,0,0,0|3,0,0]=4 278 B5R0.3 O=C(CBr)CBr SC-99341 [0,0,1,0,0,0|3,0,0]=4 279 B5R0.3 O=C(CO)CO SC-07450 [0,0,1,0,0,0|3,0,0]=4 280 B7R2.13 C1CC2CC2N1 SC-A3242 [0,0,0,1,0,0|2,0,1]=4 281 B7R2.13 C1CC2OC2C1 SC-15327 [0,0,0,1,0,0|1,0,2]=4 282 B5R1.2 BrC1CCC1 SC-50402 [0,0,0,0,1,0|1,0,1]=3 283 B5R1.2 CC1CCN1 SC-70091 [0,0,0,0,1,0|2,0,1]=4 284 B5R1.2 CC1CCN1 SC-A3607 [0,0,0,0,1,0|2,0,1]=4 285 B5R1.2 CC1CCN1 SC-A3960 [0,0,0,0,1,0|2,0,1]=4 286 B5R1.2 CC1CNC1 SC-50429 [0,0,0,0,1,0|2,0,1]=4 287 B5R1.2 FC1CNC1 SC-47665 [0,0,0,0,1,0|2,0,1]=4 288 B5R1.2 FC1CNC1 SC-51742 [0,0,0,0,1,0|2,0,1]=4 289 B5R1.2 IC1CCC1 SC-92367 [0,0,0,0,1,0|1,0,1]=3 290 B5R1.2 IC1COC1 SC-43780 [0,0,0,0,1,0|2,0,1]=4 291 B5R1.2 NC1CCC1 SC-20422 [0,0,0,0,1,0|1,0,1]=3 292 B5R1.2 NC1CNC1 SC-82511 [0,0,0,0,1,0|2,0,1]=4 293 B5R1.2 NC1COC1 SC-20809 [0,0,0,0,1,0|2,0,1]=4 294 B5R1.2 O=C1CCC1 SC-00523 [0,0,0,0,1,0|0,0,0]=1 295 B5R1.2 O=C1CCN1 SC-44172 [0,0,0,0,1,0|1,0,0]=2 296 B5R1.2 O=C1CNC1 SC-48283 [0,0,0,0,1,0|1,0,0]=2 297 B5R1.2 O=C1COC1 SC-21889 [0,0,0,0,1,0|1,0,0]=2 298 B5R1.2 OC1CNC1 SC-04637 [0,0,0,0,1,0|1,0,2]=4 299 B5R1.2 OC1CNC1 SC-19998 [0,0,0,0,1,0|1,0,2]=4 300 B5R1.2 OC1COC1 SC-25466 [0,0,0,0,1,0|1,0,2]=4 301 B5R1.2 OC1CSC1 SC-36448 [0,0,0,0,1,0|1,0,2]=4 302 B5R1.2 SC1COC1 SC-B7217 [0,0,0,0,1,0|1,1,1]=4 303 B7R1.3 BrC1=CCCCC1 SC-69986 [0,0,0,0,0,1|2,0,0]=3 304 B7R1.3 BrC1CCCOC1 SC-43426 [0,0,0,0,0,1|1,0,1]=3 305 B7R1.3 BrC1CCNCC1 SC-05213 [0,0,0,0,0,1|2,0,1]=4 306 B7R1.3 BrC1CCNCC1 SC-48705 [0,0,0,0,0,1|2,0,1]=4 307 B7R1.3 BrC1CCOCC1 SC-27394 [0,0,0,0,0,1|2,0,1]=4 308 B7R1.3 C=C1CCNCC1 SC-88353 [0,0,0,0,0,1|2,0,0]=3 309 B7R1.3 CC1=CCCCC1 SC-99243 [0,0,0,0,0,1|2,0,0]=3 310 B7R1.3 CC1=CCCNC1 SC-82898 [0,0,0,0,0,1|2,0,0]=3 311 B7R1.3 CC1=CCNCC1 SC-B8899 [0,0,0,0,0,1|2,0,0]=3 312 B7R1.3 CC1CCCCC1 SC-79075 [0,0,0,0,0,1|2,0,1]=4 313 B7R1.3 CC1CCCNC1 SC-46299 [0,0,0,0,0,1|2,0,1]=4 314 B7R1.3 CC1CCNCC1 SC-05890 [0,0,0,0,0,1|2,0,1]=4 315 B7R1.3 CC1CNCCO1 SC-49158 [0,0,0,0,0,1|1,0,1]=3 316 B7R1.3 CC1CNCCO1 SC-82780 [0,0,0,0,0,1|1,0,1]=3 317 B7R1.3 CC1CNCCO1 SC-A3535 [0,0,0,0,0,1|1,0,1]=3 318 B7R1.3 CC1COCCN1 SC-49161 [0,0,0,0,0,1|2,0,1]=4 319 B7R1.3 CN1CCNCC1 SC-00315 [0,0,0,0,0,1|3,0,0]=4 320 B7R1.3 CN1CCNCC1 SC-66326 [0,0,0,0,0,1|3,0,0]=4 321 B7R1.3 C[C@@H]1CNCCO1 SC-43965 [0,0,0,0,0,1|1,0,1]=3 322 B7R1.3 C[C@@H]1CNCCO1 SC-88816 [0,0,0,0,0,1|1,0,1]=3 323 B7R1.3 C[C@@H]1COCCN1 SC-53994 [0,0,0,0,0,1|2,0,1]=4 324 B7R1.3 C[C@H]1CCCNC1 SC-99949 [0,0,0,0,0,1|2,0,1]=4 325 B7R1.3 C[C@H]1CNCCO1 SC-44479 [0,0,0,0,0,1|1,0,1]=3 326 B7R1.3 C[C@H]1COCCN1 SC-21564 [0,0,0,0,0,1|2,0,1]=4 327 B7R1.3 C[C@H]1COCCN1 SC-69967 [0,0,0,0,0,1|2,0,1]=4 328 B7R1.3 C[SiH]1CCCCO1 SC-91060 [0,0,0,0,0,1|1,1,0]=3 329 B7R1.3 ClC1CCCCO1 SC-85266 [0,0,0,0,0,1|1,0,1]=3 330 B7R1.3 FC1CCCCC1 SC-09547 [0,0,0,0,0,1|2,0,1]=4 331 B7R1.3 FC1CCCNC1 SC-21265 [0,0,0,0,0,1|2,0,1]=4 332 B7R1.3 IC1CCOCC1 SC-98886 [0,0,0,0,0,1|2,0,1]=4 333 B7R1.3 NC1CCCNC1 SC-54118 [0,0,0,0,0,1|2,0,1]=4 334 B7R1.3 NC1CCCNC1 SC-77469 [0,0,0,0,0,1|2,0,1]=4 335 B7R1.3 NC1CCCOC1 SC-35742 [0,0,0,0,0,1|1,0,1]=3 336 B7R1.3 NC1CCCOC1 SC-49332 [0,0,0,0,0,1|1,0,1]=3 337 B7R1.3 NC1CCNCC1 SC-00743 [0,0,0,0,0,1|2,0,1]=4 338 B7R1.3 NC1CCNCC1 SC-03792 [0,0,0,0,0,1|2,0,1]=4 339 B7R1.3 NC1CCOCC1 SC-03529 [0,0,0,0,0,1|2,0,1]=4 340 B7R1.3 NC1CCOCC1 SC-04006 [0,0,0,0,0,1|2,0,1]=4 341 B7R1.3 NC1CCSCC1 SC-35455 [0,0,0,0,0,1|2,0,1]=4 342 B7R1.3 NC1CCSCC1 SC-49681 [0,0,0,0,0,1|2,0,1]=4 343 B7R1.3 NN1CCCCC1 SC-18780 [0,0,0,0,0,1|3,0,0]=4 344 B7R1.3 NN1CCOCC1 SC-27139 [0,0,0,0,0,1|3,0,0]=4 345 B7R1.3 N[C@@H]1CCCNC1 SC-03568 [0,0,0,0,0,1|2,0,1]=4 346 B7R1.3 N[C@@H]1CCCOC1 SC-71639 [0,0,0,0,0,1|1,0,1]=3 347 B7R1.3 N[C@@H]1CCCOC1 SC-96408 [0,0,0,0,0,1|1,0,1]=3 348 B7R1.3 N[C@H]1CCCNC1 SC-25042 [0,0,0,0,0,1|2,0,1]=4 349 B7R1.3 N[C@H]1CCCOC1 SC-94110 [0,0,0,0,0,1|1,0,1]=3 350 B7R1.3 O=C1C=CCCN1 SC-25185 [0,0,0,0,0,1|1,0,1]=3 351 B7R1.3 O=C1C=CCCO1 SC-50374 [0,0,0,0,0,1|0,0,1]=2 352 B7R1.3 O=C1CCCCN1 SC-16274 [0,0,0,0,0,1|1,0,0]=2 353 B7R1.3 O=C1CCCCO1 SC-65111 [0,0,0,0,0,1|0,0,0]=1 354 B7R1.3 O=C1CCCNC1 SC-29391 [0,0,0,0,0,1|1,0,0]=2 355 B7R1.3 O=C1CCCNC1 SC-48015 [0,0,0,0,0,1|1,0,0]=2 356 B7R1.3 O=C1CCCOC1 SC-14944 [0,0,0,0,0,1|0,0,0]=1 357 B7R1.3 O=C1CCNCC1 SC-04236 [0,0,0,0,0,1|1,0,0]=2 358 B7R1.3 O=C1CCNCC1 SC-04379 [0,0,0,0,0,1|1,0,0]=2 359 B7R1.3 O=C1CCNCC1 SC-19352 [0,0,0,0,0,1|1,0,0]=2 360 B7R1.3 O=C1CCOCC1 SC-03251 [0,0,0,0,0,1|1,0,0]=2 361 B7R1.3 O=C1CCSCC1 SC-19697 [0,0,0,0,0,1|1,0,0]=2 362 B7R1.3 O=C1CNCCN1 SC-05365 [0,0,0,0,0,1|1,0,0]=2 363 B7R1.3 O=C1CNCCO1 SC-84883 [0,0,0,0,0,1|0,0,0]=1 364 B7R1.3 O=C1COCCN1 SC-24222 [0,0,0,0,0,1|1,0,0]=2 365 B7R1.3 O=C1CSCCN1 SC-28581 [0,0,0,0,0,1|1,0,0]=2 366 B7R1.3 OC1=CN=NCC1 SC-89630 [0,0,0,0,0,1|2,0,1]=4 367 B7R1.3 OC1CCCCO1 SC-84303 [0,0,0,0,0,1|0,0,2]=3 368 B7R1.3 OC1CCCNC1 SC-06262 [0,0,0,0,0,1|1,0,2]=4 369 B7R1.3 OC1CCCNC1 SC-47771 [0,0,0,0,0,1|1,0,2]=4 370 B7R1.3 OC1CCCOC1 SC-19794 [0,0,0,0,0,1|0,0,2]=3 371 B7R1.3 OC1CCCOC1 SC-35801 [0,0,0,0,0,1|0,0,2]=3 372 B7R1.3 OC1CCNCC1 SC-05165 [0,0,0,0,0,1|1,0,2]=4 373 B7R1.3 OC1CCOCC1 SC-02372 [0,0,0,0,0,1|1,0,2]=4 374 B7R1.3 OC1CCSCC1 SC-35917 [0,0,0,0,0,1|1,0,2]=4 375 B7R1.3 ON1CCCCC1 SC-13334 [0,0,0,0,0,1|2,0,1]=4 376 B7R1.3 O[C@@H]1CCCNC1 SC-12564 [0,0,0,0,0,1|1,0,2]=4 377 B7R1.3 O[C@H]1CCCNC1 SC-19802 [0,0,0,0,0,1|1,0,2]=4 378 B7R1.3 SC1CCOCC1 SC-47759 [0,0,0,0,0,1|1,1,1]=4 379 B7R1.3 [C@H]1(C)CNCCN1 SC-16783 [0,0,0,0,0,1|2,0,1]=4 380 B4R0.1 C#CC(=O)O SC-46968 [1,0,1,0,0,0|0,0,2]=4 381 B4R0.1 C=C(C)CBr SC-50158 [1,0,1,0,0,0|2,0,0]=4 382 B4R0.1 C=C(C)CF SC-89300 [1,0,1,0,0,0|2,0,0]=4 383 B4R0.1 C=C(C)CN SC-43404 [1,0,1,0,0,0|2,0,0]=4 384 B4R0.1 C=C(C)CN SC-84159 [1,0,1,0,0,0|2,0,0]=4 385 B4R0.1 CC(=O)C#N SC-51001 [1,0,1,0,0,0|1,0,1]=4 386 B4R0.1 CC(=O)C=O SC-74380 [1,0,1,0,0,0|1,0,1]=4 387 B4R0.1 CC(=O)CBr SC-20936 [1,0,1,0,0,0|1,0,0]=3 388 B4R0.1 CC(=O)CN SC-28532 [1,0,1,0,0,0|1,0,0]=3 389 B4R0.1 CC(=O)CN SC-89750 [1,0,1,0,0,0|1,0,0]=3 390 B4R0.1 CC(=O)NO SC-18498 [1,0,1,0,0,0|2,0,0]=4 391 B4R0.1 CCB(O)O SC-04516 [1,0,1,0,0,0|1,0,1]=4 392 B4R0.1 CCC(=N)N SC-53846 [1,0,1,0,0,0|2,0,0]=4 393 B4R0.1 CCC(=O)O SC-22887 [1,0,1,0,0,0|0,0,0]=2 394 B4R0.1 CCC(=O)[O-] SC-47286 [1,0,1,0,0,0|0,0,1]=3 395 B4R0.1 CCC(C)O SC-01234 [1,0,1,0,0,0|0,0,2]=4 396 B4R0.1 CCC(N)=O SC-18213 [1,0,1,0,0,0|1,0,0]=3 397 B4R0.1 CCS(=O)[O-] SC-20356 [1,0,1,0,0,0|1,0,1]=4 398 B4R0.1 CC[C@H](C)N SC-81828 [1,0,1,0,0,0|1,0,1]=4 399 B4R0.1 CC[C@H](C)O SC-04418 [1,0,1,0,0,0|0,0,2]=4 400 B4R0.1 CNC(N)=O SC-15862 [1,0,1,0,0,0|2,0,0]=4 401 B4R0.1 C\C=C(\C)Br SC-91379 [1,0,1,0,0,0|1,0,1]=4 402 B4R0.1 NC(=O)CBr SC-17752 [1,0,1,0,0,0|2,0,0]=4 403 B4R0.1 NC(=O)CI SC-18913 [1,0,1,0,0,0|2,0,0]=4 404 B4R0.1 NCC(=O)O SC-26884 [1,0,1,0,0,0|1,0,0]=3 405 B4R0.1 NCC(N)=O SC-09567 [1,0,1,0,0,0|2,0,0]=4 406 B4R0.1 NCC(N)=O SC-18427 [1,0,1,0,0,0|2,0,0]=4 407 B4R0.1 O=C(Br)CBr SC-18428 [1,0,1,0,0,0|2,0,0]=4 408 B4R0.1 O=C(Cl)CBr SC-49267 [1,0,1,0,0,0|2,0,0]=4 409 B4R0.1 O=C(O)CBr SC-18211 [1,0,1,0,0,0|1,0,0]=3 410 B4R0.1 O=C(O)CO SC-23119 [1,0,1,0,0,0|1,0,0]=3 411 B4R0.1 O=C(O)CO SC-26092 [1,0,1,0,0,0|1,0,0]=3 412 B4R0.1 O=C([O-])CI SC-80290 [1,0,1,0,0,0|1,0,1]=4 413 B4R0.1 O=CC(=O)O SC-25819 [1,0,1,0,0,0|1,0,1]=4 414 B4R0.2 BrCCCBr SC-79111 [1,0,1,0,0,0|2,0,0]=4 415 B4R0.2 C#CCCO SC-17773 [1,0,1,0,0,0|0,0,2]=4 416 B4R0.2 C=CCCCl SC-90795 [1,0,1,0,0,0|1,0,1]=4 417 B4R0.2 C=CCCN SC-48242 [1,0,1,0,0,0|1,0,1]=4 418 B4R0.2 C=CCCN SC-52106 [1,0,1,0,0,0|1,0,1]=4 419 B4R0.2 C=CCCO SC-45284 [1,0,1,0,0,0|0,0,1]=3 420 B4R0.2 C=CCNC SC-05902 [1,0,1,0,0,0|2,0,0]=4 421 B4R0.2 C=CCSC SC-47211 [1,0,1,0,0,0|2,0,0]=4 422 B4R0.2 CCCNC SC-27548 [1,0,1,0,0,0|1,0,1]=4 423 B4R0.2 CCN=C=O SC-11793 [1,0,1,0,0,0|1,0,1]=4 424 B4R0.2 CCOCC SC-73354 [1,0,1,0,0,0|0,0,1]=3 425 B4R0.2 COCC=O SC-48883 [1,0,1,0,0,0|1,0,0]=3 426 B4R0.2 COCCCl SC-05903 [1,0,1,0,0,0|1,0,1]=4 427 B4R0.2 COCCN SC-22236 [1,0,1,0,0,0|1,0,1]=4 428 B4R0.2 CSCCO SC-19276 [1,0,1,0,0,0|1,0,1]=4 429 B4R0.2 C\C=C/CO SC-69832 [1,0,1,0,0,0|1,0,1]=4 430 B4R0.2 C\C=C\CCl SC-22573 [1,0,1,0,0,0|2,0,0]=4 431 B4R0.2 C\C=C\CO SC-25521 [1,0,1,0,0,0|1,0,1]=4 432 B4R0.2 C\C=C\CO SC-69597 [1,0,1,0,0,0|1,0,1]=4 433 B4R0.2 C\C=C\OC SC-97407 [1,0,1,0,0,0|0,0,1]=3 434 B4R0.2 ClCCCI SC-73683 [1,0,1,0,0,0|2,0,0]=4 435 B4R0.2 FCCCBr SC-49851 [1,0,1,0,0,0|2,0,0]=4 436 B4R0.2 FCCCI SC-84350 [1,0,1,0,0,0|2,0,0]=4 437 B4R0.2 ICCCI SC-89448 [1,0,1,0,0,0|2,0,0]=4 438 B4R0.2 NCCCBr SC-39593 [1,0,1,0,0,0|2,0,0]=4 439 B4R0.2 NCCCBr SC-48386 [1,0,1,0,0,0|2,0,0]=4 440 B4R0.2 NCCCCl SC-15218 [1,0,1,0,0,0|2,0,0]=4 441 B4R0.2 NCCCO SC-16407 [1,0,1,0,0,0|1,0,0]=3 442 B4R0.2 NCCCS SC-52748 [1,0,1,0,0,0|1,1,0]=4 443 B4R0.2 NNCCO SC-15469 [1,0,1,0,0,0|2,0,0]=4 444 B4R0.2 NOCCO SC-41192 [1,0,1,0,0,0|2,0,0]=4 445 B4R0.2 O=CCCCl SC-71322 [1,0,1,0,0,0|1,0,0]=3 446 B4R0.2 O=CCCO SC-52939 [1,0,1,0,0,0|0,0,0]=2 447 B4R0.2 OCCCBr SC-13514 [1,0,1,0,0,0|1,0,0]=3 448 B4R0.2 OCCCCl SC-15525 [1,0,1,0,0,0|1,0,0]=3 449 B4R0.2 OCCCF SC-24862 [1,0,1,0,0,0|1,0,0]=3 450 B4R0.2 OCCCI SC-65803 [1,0,1,0,0,0|1,0,0]=3 451 B4R0.2 OCCCO SC-25736 [1,0,1,0,0,0|0,0,1]=3 452 B4R0.2 SCCCS SC-17571 [1,0,1,0,0,0|0,2,0]=4 453 B6R0.1 C#CC(=O)OCC SC-05846 [0,1,1,0,0,0|0,0,1]=3 454 B6R0.1 C#CCC(=O)OC SC-13148 [0,1,1,0,0,0|0,0,2]=4 455 B6R0.1 C=CCC(=O)OC SC-48829 [0,1,1,0,0,0|0,0,2]=4 456 B6R0.1 CC#CC(=O)OC SC-48510 [0,1,1,0,0,0|0,0,2]=4 457 B6R0.1 CCOC(=N)CCl SC-39703 [0,1,1,0,0,0|1,0,0]=3 458 B6R0.1 CCOC(=N)CCl SC-53117 [0,1,1,0,0,0|1,0,0]=3 459 B6R0.1 CCOC(=O)C#N SC-20120 [0,1,1,0,0,0|0,0,1]=3 460 B6R0.1 CCOC(=O)CBr SC-17870 [0,1,1,0,0,0|0,0,0]=2 461 B6R0.1 CCOC(=O)CCl SC-79310 [0,1,1,0,0,0|0,0,0]=2 462 B6R0.1 CCOC(=O)CN SC-09569 [0,1,1,0,0,0|0,0,0]=2 463 B6R0.1 CCOC(=O)CN SC-48652 [0,1,1,0,0,0|0,0,0]=2 464 B6R0.1 CCOC(=O)CO SC-50412 [0,1,1,0,0,0|0,0,0]=2 465 B6R0.1 CCOC(=O)CS SC-18381 [0,1,1,0,0,0|0,0,0]=2 466 B6R0.1 CCOC(=O)NN SC-50147 [0,1,1,0,0,0|1,0,0]=3 467 B6R0.1 CNCC(=O)OC SC-10432 [0,1,1,0,0,0|1,0,0]=3 468 B6R0.1 COC(=O)CC=O SC-53143 [0,1,1,0,0,0|1,0,1]=4 469 B6R0.1 COC(=O)CCBr SC-18677 [0,1,1,0,0,0|1,0,0]=3 470 B6R0.1 COC(=O)CCN SC-21486 [0,1,1,0,0,0|1,0,0]=3 471 B6R0.1 COC(=O)CCO SC-21690 [0,1,1,0,0,0|1,0,0]=3 472 B6R0.1 COC(=O)CSC SC-20536 [0,1,1,0,0,0|1,0,0]=3 473 B6R0.1 COC(=O)OCCl SC-53303 [0,1,1,0,0,0|1,0,0]=3 474 B6R0.1 COCC(=O)NN SC-54001 [0,1,1,0,0,0|2,0,0]=4 475 B6R0.1 COCC(=O)OC SC-62202 [0,1,1,0,0,0|1,0,0]=3 476 B6R0.1 C\C=C\C(=O)OC SC-22589 [0,1,1,0,0,0|0,0,2]=4 477 B6R0.1 O=C(CCl)NCO SC-21590 [0,1,1,0,0,0|2,0,0]=4 478 B6R0.1 [C-]#[N+]CC(=O)OC SC-19522 [0,1,1,0,0,0|1,0,1]=4 479 B6R0.2 CC(=O)CC(C)=O SC-77723 [0,1,1,0,0,0|1,0,1]=4 480 B6R0.2 CC(=O)NC(C)C SC-A3057 [0,1,1,0,0,0|1,0,0]=3 481 B6R0.2 CC(=O)OC(C)C SC-25616 [0,1,1,0,0,0|0,0,0]=2 482 B6R0.2 CC(=O)\C=C(\C)N SC-89382 [0,1,1,0,0,0|1,0,1]=4 483 B6R0.2 CC(=O)\C=C(\C)O SC-20333 [0,1,1,0,0,0|1,0,1]=4 484 B6R0.2 CC(=O)\C=C(\C)O SC-67757 [0,1,1,0,0,0|1,0,1]=4 485 B6R0.2 CC(=O)\C=C(\C)[O-] SC-19412 [0,1,1,0,0,0|1,0,1]=4 486 B6R0.2 CC(C)=CC(=O)O SC-16257 [0,1,1,0,0,0|0,0,2]=4 487 B6R0.2 CC(C)CB(O)O SC-06923 [0,1,1,0,0,0|1,0,1]=4 488 B6R0.2 CC(C)OC(C)C SC-65190 [0,1,1,0,0,0|1,0,1]=4 489 B6R0.2 CC(Cl)OC(=O)Cl SC-13624 [0,1,1,0,0,0|1,0,0]=3 490 B6R0.2 CN(C)CC(N)=O SC-89197 [0,1,1,0,0,0|2,0,0]=4 491 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [0,1,1,0,0,0|0,0,0]=2 492 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [0,1,1,0,0,0|0,0,0]=2 493 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [0,1,1,0,0,0|0,0,0]=2 494 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [0,1,1,0,0,0|0,0,0]=2 495 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [0,1,1,0,0,0|1,0,1]=4 496 B6R0.3 C=CC(C)C(=O)O SC-65769 [0,1,1,0,0,0|0,0,2]=4 497 B6R0.3 C=C[C@H](N)C(=O)O SC-99216 [0,1,1,0,0,0|0,0,2]=4 498 B6R0.3 CC(C#N)C(=O)O SC-65741 [0,1,1,0,0,0|1,0,1]=4 499 B6R0.3 CC(CBr)C(=O)O SC-53016 [0,1,1,0,0,0|1,0,0]=3 500 B6R0.3 CC(CN)C(=O)O SC-10095 [0,1,1,0,0,0|1,0,0]=3 501 B6R0.3 CC(CN)C(=O)O SC-16443 [0,1,1,0,0,0|1,0,0]=3 502 B6R0.3 CCC(F)C(=O)O SC-82839 [0,1,1,0,0,0|0,0,0]=2 503 B6R0.3 CCC(N)C(=O)O SC-25570 [0,1,1,0,0,0|0,0,0]=2 504 B6R0.3 CCC(N)C(N)=O SC-67619 [0,1,1,0,0,0|1,0,0]=3 505 B6R0.3 CCC(S)C(=O)O SC-90417 [0,1,1,0,0,0|0,0,0]=2 506 B6R0.3 CCN(O)C(C)=O SC-69302 [0,1,1,0,0,0|1,0,0]=3 507 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [0,1,1,0,0,0|0,0,0]=2 508 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [0,1,1,0,0,0|0,0,0]=2 509 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [0,1,1,0,0,0|0,0,0]=2 510 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [0,1,1,0,0,0|0,0,0]=2 511 B6R0.3 CC[C@H](N)C(N)=O SC-15825 [0,1,1,0,0,0|1,0,0]=3 512 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [0,1,1,0,0,0|1,0,0]=3 513 B6R0.3 COC(=O)C(C)=O SC-15233 [0,1,1,0,0,0|2,0,0]=4 514 B6R0.3 COC(C)C(=O)O SC-49776 [0,1,1,0,0,0|1,0,0]=3 515 B6R0.3 CON(C)C(C)=O SC-20924 [0,1,1,0,0,0|2,0,0]=4 516 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [0,1,1,0,0,0|1,0,0]=3 517 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [0,1,1,0,0,0|1,0,0]=3 518 B6R0.3 C[C@@H](CN)C(=O)O SC-69436 [0,1,1,0,0,0|1,0,0]=3 519 B6R0.3 C[C@H](CN)C(=O)O SC-90232 [0,1,1,0,0,0|1,0,0]=3 520 B6R0.3 C[C@H](CN)C(=O)O SC-A1203 [0,1,1,0,0,0|1,0,0]=3 521 B6R0.3 NC(=O)[C@@H](N)CO SC-09855 [0,1,1,0,0,0|2,0,0]=4 522 B6R0.3 NC(CO)C(=O)O SC-09828 [0,1,1,0,0,0|1,0,0]=3 523 B6R0.3 NC(CS)C(=O)O SC-16429 [0,1,1,0,0,0|1,0,0]=3 524 B6R0.3 NCC(N)C(=O)O SC-12518 [0,1,1,0,0,0|1,0,0]=3 525 B6R0.3 NCC(N)C(=O)O SC-26817 [0,1,1,0,0,0|1,0,0]=3 526 B6R0.3 NCC(O)C(=O)O SC-10335 [0,1,1,0,0,0|1,0,0]=3 527 B6R0.3 NC[C@@H](N)C(=O)O SC-10203 [0,1,1,0,0,0|1,0,0]=3 528 B6R0.3 N[C@@H](CO)C(=O)O SC-09827 [0,1,1,0,0,0|1,0,0]=3 529 B6R0.3 N[C@@H](CS)C(=O)O SC-45550 [0,1,1,0,0,0|1,0,0]=3 530 B6R0.3 N[C@H](CO)C(=O)O SC-09826 [0,1,1,0,0,0|1,0,0]=3 531 B6R0.3 O=C(Cl)C(Br)CBr SC-76209 [0,1,1,0,0,0|2,0,0]=4 532 B6R0.3 O=C(O)C(=O)CBr SC-15238 [0,1,1,0,0,0|1,0,1]=4 533 B6R0.3 O=C(O)C(Br)CBr SC-26969 [0,1,1,0,0,0|1,0,0]=3 534 B6R0.3 O=C(O)C(O)CCl SC-83865 [0,1,1,0,0,0|1,0,0]=3 535 B6R0.3 [C@@H](N)(CC)C(N)=O SC-49088 [0,1,1,0,0,0|1,0,0]=3 536 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09427 [0,1,1,0,0,0|1,0,0]=3 537 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09430 [0,1,1,0,0,0|1,0,0]=3 538 B6R0.3 [C@H](N)(CS)C(=O)O SC-09426 [0,1,1,0,0,0|1,0,0]=3 539 B6R0.4 C#CCOC(=O)Cl SC-71217 [0,1,1,0,0,0|1,0,1]=4 540 B6R0.4 C=C(C)CNCC SC-47240 [0,1,1,0,0,0|2,0,0]=4 541 B6R0.4 C=CCCC(=O)O SC-25836 [0,1,1,0,0,0|0,0,1]=3 542 B6R0.4 C=CCOC(=O)Cl SC-18715 [0,1,1,0,0,0|1,0,1]=4 543 B6R0.4 C=CNCC(=O)O SC-20808 [0,1,1,0,0,0|0,0,2]=4 544 B6R0.4 CC(=O)CCCBr SC-91341 [0,1,1,0,0,0|1,0,0]=3 545 B6R0.4 CC(=O)NCCN SC-19651 [0,1,1,0,0,0|1,0,0]=3 546 B6R0.4 CC(C)OCCBr SC-50384 [0,1,1,0,0,0|1,0,1]=4 547 B6R0.4 CCCCC(=O)Cl SC-46867 [0,1,1,0,0,0|1,0,0]=3 548 B6R0.4 CC\C=C\C(=O)O SC-92876 [0,1,1,0,0,0|0,0,1]=3 549 B6R0.4 CNCCC(=O)O SC-27492 [0,1,1,0,0,0|0,0,0]=2 550 B6R0.4 CNCCC(=O)O SC-52914 [0,1,1,0,0,0|0,0,0]=2 551 B6R0.4 COCCC(=O)O SC-50255 [0,1,1,0,0,0|0,0,0]=2 552 B6R0.4 CO\C=C\C(C)=O SC-71024 [0,1,1,0,0,0|1,0,1]=4 553 B6R0.4 CSCCC(=O)O SC-96567 [0,1,1,0,0,0|0,0,0]=2 554 B6R0.4 NCCCC(=O)O SC-10045 [0,1,1,0,0,0|0,0,0]=2 555 B6R0.4 O=C(Cl)CCCBr SC-70369 [0,1,1,0,0,0|1,0,0]=3 556 B6R0.4 O=C(O)C#CCO SC-89192 [0,1,1,0,0,0|0,0,2]=4 557 B6R0.4 O=C(O)CCCCl SC-89723 [0,1,1,0,0,0|0,0,0]=2 558 B6R0.4 O=C(O)\C=C\CBr SC-53654 [0,1,1,0,0,0|0,0,2]=4 559 B6R0.5 CCCP(=O)(O)O SC-A3323 [0,1,1,0,0,0|1,0,0]=3 560 B6R0.5 CCCS(=O)(=O)O SC-80781 [0,1,1,0,0,0|1,0,0]=3 561 B6R0.5 CCCS(N)(=O)=O SC-95067 [0,1,1,0,0,0|1,0,1]=4 562 B6R0.5 CCOP(=O)(F)F SC-43644 [0,1,1,0,0,0|2,0,0]=4 563 B6R0.5 CCOP(=O)(O)O SC-A3396 [0,1,1,0,0,0|2,0,0]=4 564 B6R0.5 CCOS(C)(=O)=O SC-21355 [0,1,1,0,0,0|1,0,0]=3 565 B6R0.5 CCOS(C)(=O)=O SC-80833 [0,1,1,0,0,0|1,0,0]=3 566 B6R0.5 NCCP(=O)(O)O SC-98222 [0,1,1,0,0,0|2,0,0]=4 567 B6R0.5 O=P(O)(O)CCCl SC-79944 [0,1,1,0,0,0|2,0,0]=4 568 B6R0.5 O=S(=O)(O)CCBr SC-96124 [0,1,1,0,0,0|2,0,0]=4 569 B6R0.5 O=S(=O)(O)CCO SC-15822 [0,1,1,0,0,0|2,0,0]=4 570 B6R0.6 C#CCCCCO SC-87514 [0,1,1,0,0,0|1,0,1]=4 571 B6R0.6 C#CCOCCO SC-90010 [0,1,1,0,0,0|1,0,1]=4 572 B6R0.6 C=CCCCCBr SC-27023 [0,1,1,0,0,0|2,0,0]=4 573 B6R0.6 C=COCCON SC-93636 [0,1,1,0,0,0|2,0,0]=4 574 B6R0.6 CCCCON=O SC-70750 [0,1,1,0,0,0|1,0,0]=3 575 B6R0.6 CCC\C=C\C=O SC-25240 [0,1,1,0,0,0|1,0,0]=3 576 B6R0.6 CCOCCCO SC-00354 [0,1,1,0,0,0|1,0,1]=4 577 B6R0.6 CNCCCCO SC-13108 [0,1,1,0,0,0|1,0,1]=4 578 B6R0.6 CNCCCOC SC-51293 [0,1,1,0,0,0|2,0,0]=4 579 B6R0.6 COCCCCCl SC-01876 [0,1,1,0,0,0|1,0,1]=4 580 B6R0.6 COCCCOC SC-47077 [0,1,1,0,0,0|2,0,0]=4 581 B6R0.6 COCCN=C=O SC-72245 [0,1,1,0,0,0|1,0,1]=4 582 B6R0.6 COCCOCCl SC-75748 [0,1,1,0,0,0|1,0,1]=4 583 B6R0.6 C\C=C\CCCO SC-48265 [0,1,1,0,0,0|1,0,0]=3 584 B6R0.6 NCCCCCO SC-20467 [0,1,1,0,0,0|1,0,1]=4 585 B6R0.6 NCCNCCO SC-66587 [0,1,1,0,0,0|1,0,1]=4 586 B6R0.6 NCCOCCO SC-49862 [0,1,1,0,0,0|1,0,1]=4 587 B6R0.6 O=CCCCCCl SC-A3300 [0,1,1,0,0,0|1,0,0]=3 588 B6R0.6 OCCCCCBr SC-43699 [0,1,1,0,0,0|1,0,1]=4 589 B6R0.6 OCCCCCO SC-69222 [0,1,1,0,0,0|0,0,2]=4 590 B6R0.6 OCCOCCO SC-79348 [0,1,1,0,0,0|0,0,2]=4 591 B6R0.8 CCS(=O)(=O)CC SC-81611 [0,1,1,0,0,0|2,0,0]=4 592 B6R0.8 COP(=O)(Cl)OC SC-96906 [0,1,1,0,0,0|2,0,0]=4 593 B6R0.9 CCB(CC)OC SC-22792 [0,1,1,0,0,0|2,0,0]=4 594 B6R0.9 CCC(OC)OC SC-85699 [0,1,1,0,0,0|0,0,2]=4 595 B6R1.5 CN1CC(N)C1 SC-48566 [0,1,0,0,1,0|2,0,0]=4 596 B6R1.5 CN1CC(N)C1 SC-96394 [0,1,0,0,1,0|2,0,0]=4 597 B6R1.5 CN1CC(N)C1 SC-98163 [0,1,0,0,1,0|2,0,0]=4 598 B6R1.5 CN1CC(O)C1 SC-92160 [0,1,0,0,1,0|2,0,0]=4 599 B6R1.5 NC1CC(=O)C1 SC-50311 [0,1,0,0,1,0|0,0,0]=2 600 B6R1.5 NC1CC(=O)C1 SC-67476 [0,1,0,0,1,0|0,0,0]=2 601 B6R1.5 NC1CC(F)C1 SC-82347 [0,1,0,0,1,0|1,0,1]=4 602 B6R1.5 NC1CC(O)C1 SC-52840 [0,1,0,0,1,0|0,0,2]=4 603 B6R1.5 N[C@H]1C[C@@H](O)C1 SC-94821 [0,1,0,0,1,0|0,0,2]=4 604 B6R1.5 N[C@H]1C[C@H](O)C1 SC-51722 [0,1,0,0,1,0|0,0,2]=4 605 B6R1.5 N[C@H]1C[C@H](O)C1 SC-94820 [0,1,0,0,1,0|0,0,2]=4 606 B6R1.6 BrCC1CCC1 SC-17177 [0,1,0,0,1,0|1,0,1]=4 607 B6R1.6 CNC1CCC1 SC-48003 [0,1,0,0,1,0|1,0,1]=4 608 B6R1.6 ICC1CCC1 SC-B3939 [0,1,0,0,1,0|1,0,1]=4 609 B6R1.6 N#CC1CCC1 SC-43622 [0,1,0,0,1,0|1,0,1]=4 610 B6R1.6 NCC1CCC1 SC-12470 [0,1,0,0,1,0|1,0,1]=4 611 B6R1.6 NCC1CCC1 SC-22241 [0,1,0,0,1,0|1,0,1]=4 612 B6R1.6 NCC1CCC1 SC-A4294 [0,1,0,0,1,0|1,0,1]=4 613 B6R1.6 NNC1CCC1 SC-12374 [0,1,0,0,1,0|1,0,1]=4 614 B6R1.6 NNC1CCC1 SC-12770 [0,1,0,0,1,0|1,0,1]=4 615 B6R1.6 NNC1CCC1 SC-72265 [0,1,0,0,1,0|1,0,1]=4 616 B6R1.6 O=CC1CCC1 SC-14218 [0,1,0,0,1,0|0,0,1]=3 617 B6R1.6 O=CC1COC1 SC-65750 [0,1,0,0,1,0|1,0,1]=4 618 B6R1.6 OCC1CCC1 SC-16736 [0,1,0,0,1,0|0,0,2]=4 619 B6R1.6 OCC1CCO1 SC-48256 [0,1,0,0,1,0|0,0,2]=4 620 B6R1.10 CC1(N)CCC1 SC-38385 [0,1,0,0,1,0|1,0,1]=4 621 B6R1.10 CC1(N)CCC1 SC-82175 [0,1,0,0,1,0|1,0,1]=4 622 B6R1.10 C[Si]1(Cl)CCC1 SC-65745 [0,1,0,0,1,0|1,1,0]=4 623 B6R1.10 O=S1(=O)CCC1 SC-28013 [0,1,0,0,1,0|1,0,0]=3 624 B8R1.2 BrCC1CCCCO1 SC-20895 [0,1,0,0,0,1|1,0,1]=4 625 B8R1.2 BrCC1CCCOC1 SC-44714 [0,1,0,0,0,1|1,0,1]=4 626 B8R1.2 CCC1CNCCO1 SC-61843 [0,1,0,0,0,1|1,0,1]=4 627 B8R1.2 CNC1CCCOC1 SC-35264 [0,1,0,0,0,1|1,0,1]=4 628 B8R1.2 COC1=CCCCC1 SC-28269 [0,1,0,0,0,1|1,0,1]=4 629 B8R1.2 NCC1CCCCO1 SC-27902 [0,1,0,0,0,1|1,0,1]=4 630 B8R1.2 NCC1CCCOC1 SC-35931 [0,1,0,0,0,1|1,0,1]=4 631 B8R1.2 NCC1CCCOC1 SC-85451 [0,1,0,0,0,1|1,0,1]=4 632 B8R1.2 NCC1CNCCO1 SC-90824 [0,1,0,0,0,1|1,0,1]=4 633 B8R1.2 NC[C@@H]1COCCO1 SC-A3387 [0,1,0,0,0,1|1,0,1]=4 634 B8R1.2 O=CC1=COCCC1 SC-46524 [0,1,0,0,0,1|0,0,0]=2 635 B8R1.2 O=CC1CCCCC1 SC-02305 [0,1,0,0,0,1|1,0,1]=4 636 B8R1.2 O=CC1CCCCN1 SC-29120 [0,1,0,0,0,1|1,0,1]=4 637 B8R1.2 O=CC1CCCOC1 SC-45114 [0,1,0,0,0,1|0,0,1]=3 638 B8R1.2 O=CC1CCNCC1 SC-21173 [0,1,0,0,0,1|1,0,1]=4 639 B8R1.2 O=CC1CCNCC1 SC-A3016 [0,1,0,0,0,1|1,0,1]=4 640 B8R1.2 O=CC1CCOCC1 SC-04900 [0,1,0,0,0,1|1,0,1]=4 641 B8R1.2 O=CC1CCSCC1 SC-96130 [0,1,0,0,0,1|1,0,1]=4 642 B8R1.2 O=CN1CCCCC1 SC-02942 [0,1,0,0,0,1|2,0,0]=4 643 B8R1.2 O=CN1CCNCC1 SC-46658 [0,1,0,0,0,1|2,0,0]=4 644 B8R1.2 OCC1CCCCO1 SC-00052 [0,1,0,0,0,1|0,0,2]=4 645 B8R1.2 OCC1CNCCO1 SC-66184 [0,1,0,0,0,1|0,0,2]=4 646 B8R1.2 OCC1CNCCO1 SC-88687 [0,1,0,0,0,1|0,0,2]=4 647 B8R1.2 OC[C@@H]1CNCCO1 SC-29296 [0,1,0,0,0,1|0,0,2]=4 648 B8R1.2 OC[C@@H]1CNCCO1 SC-66035 [0,1,0,0,0,1|0,0,2]=4 649 B8R1.2 OC[C@H]1CNCCO1 SC-14658 [0,1,0,0,0,1|0,0,2]=4 650 B8R1.2 OC[C@H]1CNCCO1 SC-93221 [0,1,0,0,0,1|0,0,2]=4 651 B8R1.2 OC[C@H]1COCCO1 SC-A2546 [0,1,0,0,0,1|0,0,2]=4 652 B8R1.3 CC1=CCC(=O)CC1 SC-25236 [0,1,0,0,0,1|1,0,1]=4 653 B8R1.3 CC1=CCC(=O)CC1 SC-83877 [0,1,0,0,0,1|1,0,1]=4 654 B8R1.3 CC1=NNC(=O)CC1 SC-73679 [0,1,0,0,0,1|1,0,1]=4 655 B8R1.3 CN1CCC(=O)CC1 SC-01124 [0,1,0,0,0,1|1,0,0]=3 656 B8R1.3 CN1CCC(=O)CC1 SC-90211 [0,1,0,0,0,1|1,0,0]=3 657 B8R1.3 C[C@H]1CN[C@H](C)CO1 SC-42238 [0,1,0,0,0,1|1,0,1]=4 658 B8R1.3 NC1CCC(=O)CC1 SC-51421 [0,1,0,0,0,1|1,0,0]=3 659 B8R1.3 NC1CCC(=O)CC1 SC-94303 [0,1,0,0,0,1|1,0,0]=3 660 B8R1.3 N[C@H]1CCC(=O)NC1 SC-A3084 [0,1,0,0,0,1|1,0,0]=3 661 B8R1.3 O=C1CCC(=O)CC1 SC-15336 [0,1,0,0,0,1|1,0,0]=3 662 B8R1.3 O=C1CCC(=O)NC1 SC-35404 [0,1,0,0,0,1|1,0,0]=3 663 B8R1.3 O=C1CCC(O)CC1 SC-22101 [0,1,0,0,0,1|1,0,0]=3 664 B8R1.3 O=C1CCC(O)CN1 SC-14920 [0,1,0,0,0,1|1,0,0]=3 665 B8R1.3 O=C1COC(=O)CN1 SC-96522 [0,1,0,0,0,1|0,0,1]=3 666 B8R1.3 O=C1COC(=O)CO1 SC-86894 [0,1,0,0,0,1|0,0,1]=3 667 B8R1.3 OC1COC(O)CO1 SC-52694 [0,1,0,0,0,1|0,0,2]=4 668 B8R1.4 CC1CC(=O)CCN1 SC-14913 [0,1,0,0,0,1|1,0,0]=3 669 B8R1.4 CC1CC(=O)CCN1 SC-26346 [0,1,0,0,0,1|1,0,0]=3 670 B8R1.4 CC1CC(=O)CCO1 SC-43658 [0,1,0,0,0,1|1,0,0]=3 671 B8R1.4 CC1CC(O)CCO1 SC-15639 [0,1,0,0,0,1|1,0,1]=4 672 B8R1.4 CC1CCCC(=O)N1 SC-90092 [0,1,0,0,0,1|1,0,0]=3 673 B8R1.4 CC1CCNC(=O)C1 SC-65553 [0,1,0,0,0,1|1,0,0]=3 674 B8R1.4 CC1CNCC(=O)N1 SC-68745 [0,1,0,0,0,1|1,0,0]=3 675 B8R1.4 CN1CCCC(=O)C1 SC-88063 [0,1,0,0,0,1|1,0,0]=3 676 B8R1.4 CN1CCNC(=O)C1 SC-43594 [0,1,0,0,0,1|1,0,0]=3 677 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 SC-53240 [0,1,0,0,0,1|1,0,1]=4 678 B8R1.4 C[C@H]1CNC[C@@H](C)O1 SC-15727 [0,1,0,0,0,1|1,0,1]=4 679 B8R1.4 C[C@H]1CNC[C@H](C)O1 SC-50936 [0,1,0,0,0,1|1,0,1]=4 680 B8R1.4 C[C@H]1COCC(=O)N1 SC-82343 [0,1,0,0,0,1|1,0,0]=3 681 B8R1.4 NC1=CC(=O)CCC1 SC-18537 [0,1,0,0,0,1|1,0,0]=3 682 B8R1.4 O=C1CC(O)CCN1 SC-14921 [0,1,0,0,0,1|1,0,0]=3 683 B8R1.4 O=C1CC(O)CCN1 SC-26449 [0,1,0,0,0,1|1,0,0]=3 684 B8R1.4 O=C1CCCC(=O)C1 SC-16085 [0,1,0,0,0,1|1,0,0]=3 685 B8R1.4 O=C1CCCC(=O)N1 SC-65454 [0,1,0,0,0,1|1,0,0]=3 686 B8R1.4 O=C1CCCC(=O)O1 SC-43876 [0,1,0,0,0,1|0,0,0]=2 687 B8R1.4 O=C1CCCC(O)C1 SC-52929 [0,1,0,0,0,1|1,0,0]=3 688 B8R1.4 O=C1COCC(=O)O1 SC-26890 [0,1,0,0,0,1|0,0,1]=3 689 B8R1.4 O=C1CSCC(=O)C1 SC-21904 [0,1,0,0,0,1|0,1,1]=4 690 B8R1.5 CC1CCCCC1=O SC-20428 [0,1,0,0,0,1|1,0,0]=3 691 B8R1.5 C[C@H]1NCCNC1=O SC-05130 [0,1,0,0,0,1|1,0,0]=3 692 B8R1.5 NC1CCCCC1=O SC-22252 [0,1,0,0,0,1|1,0,0]=3 693 B8R1.5 NC1CCCCC1=O SC-84826 [0,1,0,0,0,1|1,0,0]=3 694 B8R1.5 NC1CCCNC1=O SC-14514 [0,1,0,0,0,1|1,0,0]=3 695 B8R1.5 N[C@@H]1CCCNC1=O SC-48796 [0,1,0,0,0,1|1,0,0]=3 696 B8R1.5 N[C@@H]1COCC[C@H]1O SC-20565 [0,1,0,0,0,1|1,0,1]=4 697 B8R1.5 N[C@H]1CCCNC1=O SC-27263 [0,1,0,0,0,1|1,0,0]=3 698 B8R1.5 O=C1CCCCC1=O SC-46435 [0,1,0,0,0,1|1,0,0]=3 699 B8R1.5 O=C1CCCCC1Br SC-86496 [0,1,0,0,0,1|1,0,0]=3 700 B8R1.5 O=C1CCCCC1Cl SC-20977 [0,1,0,0,0,1|1,0,0]=3 701 B8R1.5 O=C1CCCCC1O SC-49144 [0,1,0,0,0,1|1,0,0]=3 702 B8R1.5 O=C1CCNCC1Br SC-94331 [0,1,0,0,0,1|1,0,0]=3 703 B8R1.5 O=C1CCOCC1Br SC-33711 [0,1,0,0,0,1|1,0,0]=3 704 B8R1.5 O=C1NCCCC1O SC-14922 [0,1,0,0,0,1|1,0,0]=3 705 B8R1.72 CC1(C)CNCCO1 SC-61844 [0,1,0,0,0,1|1,0,1]=4 706 B8R1.72 CC1(C)CNCCO1 SC-68994 [0,1,0,0,0,1|1,0,1]=4 707 B8R1.72 O=S1(=O)CCCCN1 SC-48177 [0,1,0,0,0,1|2,0,0]=4 708 B8R1.72 O=S1(=O)CCCCO1 SC-15335 [0,1,0,0,0,1|1,0,0]=3 709 B8R1.72 O=S1(=O)CCNCC1 SC-04097 [0,1,0,0,0,1|2,0,0]=4 710 B8R1.72 O=S1(=O)CCNCC1 SC-05623 [0,1,0,0,0,1|2,0,0]=4 711 B8R1.1 C=CC1COC(=O)O1 SC-15987 [0,2,0,0,0,0|1,0,0]=3 712 B8R1.1 NCC1CCC(=O)N1 SC-53656 [0,2,0,0,0,0|1,0,0]=3 713 B8R1.1 NC[C@@H]1CCC(=O)N1 SC-44056 [0,2,0,0,0,0|1,0,0]=3 714 B8R1.1 O=C1CC(CO)CN1 SC-66045 [0,2,0,0,0,0|1,0,0]=3 715 B8R1.1 O=C1CC[C@@H](CO)N1 SC-09020 [0,2,0,0,0,0|1,0,0]=3 716 B8R1.1 O=C1CC[C@@H](CO)O1 SC-03496 [0,2,0,0,0,0|0,0,0]=2 717 B8R1.1 O=C1CC[C@H](CO)N1 SC-19648 [0,2,0,0,0,0|1,0,0]=3 718 B8R1.1 O=C1N[C@@H](CO)CO1 SC-33166 [0,2,0,0,0,0|1,0,0]=3 719 B8R1.1 OC[C@@H]1C[C@H](O)CO1 SC-83414 [0,2,0,0,0,0|0,0,2]=4 720 B8R1.1 [C@H]1(CBr)CCC(=O)N1 SC-23592 [0,2,0,0,0,0|1,0,0]=3 721 B8R1.7 C=C(C)C1=NCCO1 SC-47290 [0,2,0,0,0,0|2,0,0]=4 722 B8R1.7 CC(=O)C1CCCC1 SC-69830 [0,2,0,0,0,0|1,0,1]=4 723 B8R1.7 NC(=O)C1CCCN1 SC-24789 [0,2,0,0,0,0|1,0,1]=4 724 B8R1.7 NC(=O)[C@@H]1CCCN1 SC-06632 [0,2,0,0,0,0|1,0,1]=4 725 B8R1.7 O=C(Cl)C1CCCC1 SC-45320 [0,2,0,0,0,0|1,0,1]=4 726 B8R1.7 O=C(Cl)N1CCCC1 SC-72914 [0,2,0,0,0,0|2,0,0]=4 727 B8R1.7 O=C(O)C1=CCCC1 SC-65352 [0,2,0,0,0,0|1,0,0]=3 728 B8R1.7 O=C(O)C1CCCC1 SC-18675 [0,2,0,0,0,0|1,0,1]=4 729 B8R1.7 O=C(O)C1CCCN1 SC-09807 [0,2,0,0,0,0|1,0,1]=4 730 B8R1.7 O=C(O)C1CCCO1 SC-A4307 [0,2,0,0,0,0|0,0,1]=3 731 B8R1.7 O=C(O)[C@@H]1CCCN1 SC-09806 [0,2,0,0,0,0|1,0,1]=4 732 B8R1.7 O=C(O)[C@H]1CCCN1 SC-09805 [0,2,0,0,0,0|1,0,1]=4 733 B8R1.7 O=C(O)[C@H]1CCCO1 SC-07092 [0,2,0,0,0,0|0,0,1]=3 734 B8R1.7 OB(O)C1=CCCC1 SC-53221 [0,2,0,0,0,0|1,0,1]=4 735 B8R1.7 [C@H]1(C(N)=O)CCCN1 SC-13550 [0,2,0,0,0,0|1,0,1]=4 736 B8R1.8 O=C=NC1CCCC1 SC-27896 [0,2,0,0,0,0|1,0,1]=4 737 B8R1.11 C=CN1CCCC1=O SC-47246 [0,2,0,0,0,0|1,0,0]=3 738 B8R1.11 N#CC1=C(N)CCC1 SC-15343 [0,2,0,0,0,0|2,0,0]=4 739 B8R1.11 N#CC1CCCC1=O SC-46105 [0,2,0,0,0,0|1,0,0]=3 740 B8R1.18 CC1=CC(=O)OC1O SC-47793 [0,2,0,0,0,0|0,0,2]=4 741 B8R1.18 CC1CC(=O)OC1=O SC-97577 [0,2,0,0,0,0|0,0,1]=3 742 B8R1.18 CC1NC(=O)OC1=O SC-19848 [0,2,0,0,0,0|1,0,1]=4 743 B8R1.18 CC1NC(=O)OC1=O SC-48689 [0,2,0,0,0,0|1,0,1]=4 744 B8R1.18 CC1OC(=O)OC1C SC-21491 [0,2,0,0,0,0|1,0,0]=3 745 B8R1.50 C=C1CCN(C)C1=O SC-48828 [0,2,0,0,0,0|1,0,1]=4 746 B8R1.50 CC1=C(O)C(=O)CC1 SC-74535 [0,2,0,0,0,0|1,0,1]=4 747 B8R1.50 CC1C(=O)CCC1=O SC-62325 [0,2,0,0,0,0|1,0,1]=4 748 B8R1.50 CN1C(=O)CCC1O SC-88414 [0,2,0,0,0,0|1,0,0]=3 749 B8R1.50 CN1CCC(N)C1=O SC-25143 [0,2,0,0,0,0|1,0,0]=3 750 B8R1.50 O=C1CCC(=O)N1Br SC-00707 [0,2,0,0,0,0|1,0,1]=4 751 B8R1.50 O=C1CCC(=O)N1Cl SC-16479 [0,2,0,0,0,0|1,0,1]=4 752 B8R1.50 O=C1CCC(=O)N1I SC-14191 [0,2,0,0,0,0|1,0,1]=4 753 B8R1.50 O=C1CCC(=O)N1O SC-11266 [0,2,0,0,0,0|1,0,1]=4 754 B8R1.51 CC1(C)C=CC(=O)C1 SC-91103 [0,2,0,0,0,0|1,0,1]=4 755 B8R1.51 CC1(C)CCC(=O)O1 SC-21203 [0,2,0,0,0,0|0,0,0]=2 756 B8R1.51 CC1(C)CNC(=O)C1 SC-70558 [0,2,0,0,0,0|1,0,0]=3 757 B8R1.51 CC1CCS(=O)(=O)O1 SC-21616 [0,2,0,0,0,0|1,0,0]=3 758 B8R1.51 C[C@@H]1COS(=O)(=O)O1 SC-69929 [0,2,0,0,0,0|2,0,0]=4 759 B8R1.51 NC1CCS(=O)(=O)C1 SC-43760 [0,2,0,0,0,0|2,0,0]=4 760 B8R1.19 CC1(C)CCOC1=O SC-15803 [0,2,0,0,0,0|0,0,0]=2 761 B6R1.11 CC(=O)C1CC1 SC-17503 [0,0,1,1,0,0|1,0,0]=3 762 B6R1.11 CC(O)C1CC1 SC-19615 [0,0,1,1,0,0|1,0,1]=4 763 B6R1.11 N=C(N)C1CC1 SC-05436 [0,0,1,1,0,0|2,0,0]=4 764 B6R1.11 N=C(N)C1CC1 SC-12465 [0,0,1,1,0,0|2,0,0]=4 765 B6R1.11 NC(=O)C1CC1 SC-92415 [0,0,1,1,0,0|1,0,0]=3 766 B6R1.11 O=C(Cl)C1CC1 SC-19263 [0,0,1,1,0,0|1,0,0]=3 767 B6R1.11 O=C(O)C1CC1 SC-22620 [0,0,1,1,0,0|0,0,0]=2 768 B6R1.11 O=C(O)C1CO1 SC-83949 [0,0,1,1,0,0|1,0,0]=3 769 B6R1.11 OB(O)C1CC1 SC-04359 [0,0,1,1,0,0|1,0,1]=4 770 B6R1.1 C1=COCCC1 SC-00342 [0,0,1,1,0,0|1,0,0]=3 771 B6R1.1 C1CCONC1 SC-82296 [0,0,1,1,0,0|1,0,1]=4 772 B8R2.23 C1NCC2CC1O2 SC-51309 [0,0,0,1,0,1|1,0,1]=4 773 B8R2.23 C1NCC2CC1O2 SC-B3877 [0,0,0,1,0,1|1,0,1]=4 774 B8R2.23 C1OCC2CC1N2 SC-A2549 [0,0,0,1,0,1|1,0,1]=4 775 B8R2.34 C1O[C@@H]2CN[C@H]1C2 SC-35864 [0,0,0,1,0,1|1,0,1]=4 776 B8R2.34 [C@@H]12CO[C@@H](CN1)C2 SC-51029 [0,0,0,1,0,1|1,0,1]=4 777 B8R2.34 [C@H]12CO[C@H](CN1)C2 SC-48245 [0,0,0,1,0,1|1,0,1]=4 778 B4R1.1 C1CNC1 SC-20716 [1,0,0,0,1,0|1,0,0]=3 779 B4R1.2 BrC1CC1 SC-13617 [0,0,0,0,2,0|1,0,1]=4 780 B4R1.2 CC1CC1 SC-53150 [0,0,0,0,2,0|1,0,1]=4 781 B4R1.2 NC1CC1 SC-13654 [0,0,0,0,2,0|1,0,1]=4 782 B4R1.2 OC1CC1 SC-48540 [0,0,0,0,2,0|0,0,2]=4 783 B8R1.22 O=C1C=CCCCC1 SC-99582 [0,0,0,0,0,2|1,0,0]=3 784 B8R1.22 O=C1CCCNCC1 SC-20974 [0,0,0,0,0,2|1,0,0]=3 785 B8R1.22 O=C1CCCNCC1 SC-20993 [0,0,0,0,0,2|1,0,0]=3 786 B8R1.22 O=C1CCNCCN1 SC-05951 [0,0,0,0,0,2|1,0,0]=3 787 B8R1.22 O=C1CNCCCN1 SC-21981 [0,0,0,0,0,2|1,0,0]=3