0 B6R0.1 C#C\C(C)=C/CO AK116959 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 CCCC(NN)=O AK-95909 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 O=C(NCC)CN AK-65785 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 O=C(OC)OCC AK397345 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.1 O=C(OCC)CO AK-98662 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 C(C(=O)O)NC AK-47434 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 CC#CC(O)=O AK-49957 [1,0,0,0,0,0|1,0,2]=4 7 B5R0.1 CNCC(N)=O AK-90265 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 C[C@@H](N)CCC AK608015 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.1 C[C@H](N)CCC AK171191 [1,0,0,0,0,0|1,0,2]=4 10 B5R0.1 NCCC(N)=O AK-26218 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 NCCC(O)=O AK-41261 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 NOCC(C)=C AK550273 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 O=C(N)CSC AK-34209 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 [O+](=C(N)N)CC AK-50388 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.3 C=CC(NC)=O AK115593 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.3 CCC(CN)=O AK-38468 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.3 CCC(CO)=O AK149491 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.3 O=C[C@H](O)CO AK122382 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.2 CN(C)C=C(C)C=O AK-79155 [0,1,0,0,0,0|1,0,0]=2 20 B7R0.3 C=CC(NCCN)=O AK142923 [0,1,0,0,0,0|3,0,0]=4 21 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [0,1,0,0,0,0|1,0,2]=4 22 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [0,1,0,0,0,0|1,0,2]=4 23 B7R0.5 CCOC(=O)C(N)=O AK-45440 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.5 O=C(OCC)C(N)=S AK-45462 [0,1,0,0,0,0|2,1,0]=4 25 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [0,1,0,0,0,0|1,0,2]=4 26 B7R0.7 C\C(OCC)=N/C#N AK162386 [0,1,0,0,0,0|2,0,1]=4 27 B7R0.7 O=C(OCC)\C=C\I AK117013 [0,1,0,0,0,0|3,0,0]=4 28 B7R0.10 CCC(N(OC)C)=O AK130253 [0,1,0,0,0,0|3,0,0]=4 29 B7R1.1 C1=C(N=CS1)C=O AK-23930 [0,0,0,1,0,0|2,0,1]=4 30 B7R1.1 C1=C(SC=C1)C=O AK-26482 [0,0,0,1,0,0|1,0,2]=4 31 B7R1.1 C1=C([NH]C=N1)C=O AK-41612 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.1 COC1=NCCC1 AK-49858 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.1 O=CC1=CC=CN1 AK-25235 [0,0,0,1,0,0|1,0,2]=4 34 B7R1.1 O=CC1=CN=CS1 AK-39378 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.1 O=CC1=CNC=C1 AK-36182 [0,0,0,1,0,0|1,0,2]=4 36 B7R1.1 O=CC1=CNN=C1 AK-25836 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.1 O=CC1=CNN=C1 AK158761 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.1 O=CC1=CSC=C1 AK-42964 [0,0,0,1,0,0|1,0,2]=4 39 B7R1.1 [NH]1C=CC(=N1)C=O AK-25900 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.2 BrC1=CSC(=C1)C AK-28080 [0,0,0,1,0,0|1,1,1]=4 41 B7R1.2 C1=C(Br)C=N[N]1C AK-26682 [0,0,0,1,0,0|3,0,0]=4 42 B7R1.2 C1=C(C)SC(=N1)C AK-46393 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.2 C1=C(C)[NH]N=C1C AK-50030 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.2 C1=C(N=C(C)S1)C AK-35570 [0,0,0,1,0,0|1,1,1]=4 45 B7R1.2 C1=C([NH]C(=N1)C)C AK-36899 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.2 C1=C[N](N=C1C)C AK-47383 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.2 C1=N[N](C=C1C)C AK-47523 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.2 CN1N=CC(I)=C1 AK-54604 [0,0,0,1,0,0|3,0,0]=4 49 B7R1.2 C[N+]1=CN(C)C=C1 AK113093 [0,0,0,1,0,0|3,0,0]=4 50 B7R1.2 C[N]1C=C(C=N1)N AK-30314 [0,0,0,1,0,0|3,0,0]=4 51 B7R1.2 ClC1=C[N](N=C1)C AK-49050 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.2 NC1=CN(C)N=C1 AK-40078 [0,0,0,1,0,0|3,0,0]=4 53 B7R1.2 OC1=CN(C)N=C1 AK311462 [0,0,0,1,0,0|3,0,0]=4 54 B7R1.3 C1=C(C)C=NC=N1 AK-30562 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.3 C1=C(C)C=NN=C1 AK-30760 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.3 O=C1NCCC=C1 AK110027 [0,0,0,1,0,0|3,0,0]=4 57 B7R1.4 C1=CC(=C(S1)Br)C AK-46588 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.4 CC1=CNN=C1C AK111434 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.4 CC1=CNN=C1C AK117330 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.4 CC1=CSC=C1Br AK-34597 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.4 CC1=CSC=C1C AK-45919 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.4 CC1CSCC1=O AK104742 [0,0,0,1,0,0|1,0,2]=4 63 B7R1.4 NN1CCCC1=O AK-78653 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.4 O=C1C(O)=CCC1 AK-43709 [0,0,0,1,0,0|1,0,0]=2 65 B7R1.4 O=C1CC=NN1C AK128438 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.4 O=C1NC=CN1C AK317267 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.4 O=C1NCCN1C AK-78526 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.4 S=C1N(C)CCC1 AK308101 [0,0,0,1,0,0|1,1,1]=4 69 B7R1.25 O=CC1(C)COC1 AK-64338 [0,0,0,1,0,0|1,0,2]=4 70 B4R0.1 C(N)C(=O)C AK-42698 [2,0,0,0,0,0|1,0,0]=3 71 B4R0.1 C=CC([O-])=O AK160082 [2,0,0,0,0,0|1,0,1]=4 72 B4R0.1 CCC(N)=N AK-48186 [2,0,0,0,0,0|2,0,0]=4 73 B4R0.1 NC(=O)CI AK110349 [2,0,0,0,0,0|2,0,0]=4 74 B4R0.1 NCC(N)=O AK-41459 [2,0,0,0,0,0|2,0,0]=4 75 B4R0.1 O=C(N)CBr AK-50036 [2,0,0,0,0,0|2,0,0]=4 76 B4R0.1 O=C(O)CN AK-77854 [2,0,0,0,0,0|2,0,0]=4 77 B4R0.1 O=C([O-])CN AK114167 [2,0,0,0,0,0|2,0,0]=4 78 B4R0.2 C=CCCN AK165308 [2,0,0,0,0,0|1,0,1]=4 79 B6R0.2 CC(NC(C)C)=O AK-86542 [1,1,0,0,0,0|1,0,0]=3 80 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [1,1,0,0,0,0|0,0,1]=3 81 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [1,1,0,0,0,0|1,0,1]=4 82 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [1,1,0,0,0,0|1,0,1]=4 83 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [1,1,0,0,0,0|1,0,1]=4 84 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [1,1,0,0,0,0|1,0,1]=4 85 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [1,1,0,0,0,0|1,0,1]=4 86 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [1,1,0,0,0,0|1,0,1]=4 87 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [1,1,0,0,0,0|1,0,1]=4 88 B6R0.3 C(C(N)C(O)=O)C AK-46591 [1,1,0,0,0,0|1,0,1]=4 89 B6R0.3 CC(N(CC)C)=O AK149250 [1,1,0,0,0,0|1,0,0]=3 90 B6R0.3 CCC(=O)C(O)=O AK-48379 [1,1,0,0,0,0|1,0,0]=3 91 B6R0.3 CCC(N(C)C)=O AK105976 [1,1,0,0,0,0|1,0,1]=4 92 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [1,1,0,0,0,0|1,0,1]=4 93 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [1,1,0,0,0,0|1,0,1]=4 94 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [1,1,0,0,0,0|1,0,1]=4 95 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [1,1,0,0,0,0|1,0,1]=4 96 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [1,1,0,0,0,0|1,0,1]=4 97 B6R0.3 C\C=C(O)\C(O)=O AK149482 [1,1,0,0,0,0|1,0,1]=4 98 B6R0.3 O=C([O-])C(OC)=O AK670985 [1,1,0,0,0,0|2,0,0]=4 99 B6R0.4 CC(CCCCl)=O AK-48368 [1,1,0,0,0,0|0,0,1]=3 100 B6R0.4 CC(OCCBr)=O AK165045 [1,1,0,0,0,0|1,0,0]=3 101 B6R0.4 CCCCC([O-])=O AK163205 [1,1,0,0,0,0|1,0,1]=4 102 B6R0.4 NC(OCCC)=O AK116320 [1,1,0,0,0,0|1,0,1]=4 103 B6R0.4 O=C(N)NCCO AK121931 [1,1,0,0,0,0|2,0,0]=4 104 B6R0.4 O=C(O)CCCCl AK113749 [1,1,0,0,0,0|1,0,1]=4 105 B6R0.4 O=C(O)CCCN AK-43987 [1,1,0,0,0,0|1,0,1]=4 106 B6R0.4 O=C(O)CCNC AK155866 [1,1,0,0,0,0|1,0,1]=4 107 B6R0.4 O=C(O)CCOC AK-88477 [1,1,0,0,0,0|1,0,1]=4 108 B6R0.5 CS(=O)(OCC)=O AK544582 [1,1,0,0,0,0|2,0,0]=4 109 B6R0.6 C\C=C\CCCO AK-46431 [1,1,0,0,0,0|1,0,1]=4 110 B6R0.6 ClCCCCC=O AK110863 [1,1,0,0,0,0|0,0,2]=4 111 B6R0.6 O=CCCCCO AK-40206 [1,1,0,0,0,0|0,0,2]=4 112 B6R0.9 COC(OC)C=O AK-65152 [1,1,0,0,0,0|1,0,1]=4 113 B8R0.5 O=C(OCC)CC(N)=O AK-44357 [0,2,0,0,0,0|2,0,0]=4 114 B8R0.5 O=C([O-])CC(OCC)=O AK-88661 [0,2,0,0,0,0|2,0,0]=4 115 B8R0.16 O=C\C(OC)=C/N(C)C AK-25392 [0,2,0,0,0,0|1,0,0]=3 116 B8R0.3 CCC(C(OCC)=O)=O AK-75904 [0,2,0,0,0,0|2,0,0]=4 117 B8R0.3 O=C(OCC)C(CBr)=O AK-96394 [0,2,0,0,0,0|2,0,0]=4 118 B8R0.3 O=C(OCC)C(NN)=O AK-65253 [0,2,0,0,0,0|2,0,0]=4 119 B8R0.22 O=CN(CCC)CCC AK325108 [0,2,0,0,0,0|1,0,1]=4 120 B8R0.13 O=C(OC)C(C)(C)C=O AK127559 [0,2,0,0,0,0|1,0,1]=4 121 B6R1.2 C1=N[NH]C=C1C AK-46480 [1,0,0,1,0,0|2,0,0]=4 122 B6R1.2 CC1=CNC=C1 AK-59534 [1,0,0,1,0,0|1,0,1]=4 123 B6R1.2 NC1=NCCC1 AK-81762 [1,0,0,1,0,0|2,0,0]=4 124 B6R1.2 O=C1CCNC1 AK-46584 [1,0,0,1,0,0|1,0,1]=4 125 B6R1.2 O=C1CCOC1 AK-27035 [1,0,0,1,0,0|1,0,1]=4 126 B6R1.2 O=C1CSCC1 AK-40135 [1,0,0,1,0,0|1,0,1]=4 127 B6R1.2 O=C1NNCC1 AK-46169 [1,0,0,1,0,0|2,0,0]=4 128 B6R1.2 O=C1NOCC1 AK122832 [1,0,0,1,0,0|2,0,0]=4 129 B6R1.2 O=C1OCC=C1 AK163254 [1,0,0,1,0,0|1,0,1]=4 130 B6R1.2 O=C1OCCN1 AK-94050 [1,0,0,1,0,0|2,0,0]=4 131 B6R1.2 O=C1OCCO1 AK101077 [1,0,0,1,0,0|2,0,0]=4 132 B6R1.2 O=C1SCCN1 AK-89361 [1,0,0,1,0,0|2,0,0]=4 133 B6R1.5 NC1CC(=O)C1 AK-41683 [1,0,0,1,0,0|1,0,1]=4 134 B6R1.1 C1CC=CCN1 AK-91689 [1,0,0,1,0,0|1,0,1]=4 135 B8R1.1 C1=C(C=N[N]1C)C=O AK-27714 [0,1,0,1,0,0|1,0,1]=4 136 B8R1.1 C1=C(N=C(S1)C)C=O AK-25586 [0,1,0,1,0,0|1,0,1]=4 137 B8R1.1 CC1=CC(C=O)=NN1 AK-98775 [0,1,0,1,0,0|1,0,1]=4 138 B8R1.1 CC1=CC=C(S1)C=O AK-30245 [0,1,0,1,0,0|1,0,1]=4 139 B8R1.1 CC1=CN=C(CC)N1 AK161824 [0,1,0,1,0,0|1,0,0]=3 140 B8R1.1 CC1=CSC(CC)=N1 AK114234 [0,1,0,1,0,0|0,1,0]=3 141 B8R1.1 CC1=NC(C=O)=CO1 AK-68492 [0,1,0,1,0,0|1,0,1]=4 142 B8R1.1 CCC1=CC=C(C)S1 AK103790 [0,1,0,1,0,0|1,0,0]=3 143 B8R1.1 CCN1N=CC(Br)=C1 AK-61918 [0,1,0,1,0,0|2,0,0]=4 144 B8R1.1 CN1C=C(CO)C=N1 AK-54525 [0,1,0,1,0,0|2,0,0]=4 145 B8R1.1 CN1C=C[N+](CC)=C1 AK161828 [0,1,0,1,0,0|2,0,0]=4 146 B8R1.1 CN1N=CC(CBr)=C1 AK171077 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.1 C[N+]1=CN(CC)C=C1 AK161830 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.1 C[N+]1=CN(CC)C=C1 AK176161 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.1 C[N]1C=CC(=N1)C=O AK-39769 [0,1,0,1,0,0|1,0,1]=4 150 B8R1.1 NCC1=CN(C)N=C1 AK-35034 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.1 NCC1=CN(C)N=C1 AK-76415 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.1 O=CC1=CC=C(C)O1 AK-94177 [0,1,0,1,0,0|1,0,1]=4 153 B8R1.1 O=CC1=CN=C(C)O1 AK-25452 [0,1,0,1,0,0|1,0,1]=4 154 B8R1.1 O=CC1=CN=C(C)S1 AK-32616 [0,1,0,1,0,0|1,0,1]=4 155 B8R1.1 O=CC1=CSC(C)=C1 AK138065 [0,1,0,1,0,0|0,0,2]=4 156 B8R1.1 O=CC1=NOC(C)=C1 AK-35881 [0,1,0,1,0,0|1,0,1]=4 157 B8R1.1 OCC1=CC=C(C)O1 AK135169 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.1 OCC1=NC=C(C)S1 AK-48006 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.4 C1=C(C)N=CN=C1C AK-33461 [0,1,0,1,0,0|1,0,1]=4 160 B8R1.4 CC1=CC(NN=C1)=O AK-39857 [0,1,0,1,0,0|2,0,0]=4 161 B8R1.4 N1CCC(CC1=O)=O AK-23571 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.4 NC=1CCCC(C1)=O AK-49851 [0,1,0,1,0,0|1,0,1]=4 163 B8R1.4 O=C1C=CC=C(C)N1 AK-29158 [0,1,0,1,0,0|0,0,2]=4 164 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,1,0,1,0,0|1,0,1]=4 165 B8R1.4 O=C1CC(CCC1)=O AK-44688 [0,1,0,1,0,0|1,0,1]=4 166 B8R1.18 CN1C(=O)CC(=N1)C AK-72987 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [0,1,0,1,0,0|1,0,1]=4 168 B8R1.18 O=C1N[C@@H](C)C(O1)=O AK109319 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.2 N#CC1=CCCCO1 AK-78862 [0,1,0,1,0,0|1,0,1]=4 170 B8R1.2 O=CN1CCOCC1 AK-47431 [0,1,0,1,0,0|1,0,1]=4 171 B8R1.3 C1=NC(=CN=C1C)C AK-33017 [0,1,0,1,0,0|1,0,1]=4 172 B8R1.5 CC1=CC=CNC1=O AK-32442 [0,1,0,1,0,0|0,0,2]=4 173 B8R1.5 CC1=CC=NNC1=O AK-28464 [0,1,0,1,0,0|1,0,1]=4 174 B8R1.5 O=C1C(C)=NC=CN1 AK-24748 [0,1,0,1,0,0|1,0,1]=4 175 B8R1.5 O=C1C(C)CNCC1 AK-35717 [0,1,0,1,0,0|0,0,2]=4 176 B8R1.5 O=C1C(C)CNCC1 AK-44679 [0,1,0,1,0,0|0,0,2]=4 177 B8R1.5 O=C1C(CCCC1)=O AK-46655 [0,1,0,1,0,0|1,0,1]=4 178 B8R1.5 O=C1N(C)CCNC1 AK-38983 [0,1,0,1,0,0|1,0,1]=4 179 B8R1.5 O=C1NCCN[C@@H]1C AK102951 [0,1,0,1,0,0|1,0,1]=4 180 B8R1.50 CC1=C(Br)N(C)C=N1 AK155413 [0,1,0,1,0,0|2,0,0]=4 181 B8R1.50 CC1C(CCC1=O)=O AK-50538 [0,1,0,1,0,0|0,0,1]=3 182 B8R1.50 CC=1CCC(C1O)=O AK103328 [0,1,0,1,0,0|1,0,0]=3 183 B8R1.50 CN1C(=O)CSC1=O AK-63992 [0,1,0,1,0,0|2,0,0]=4 184 B8R1.50 O=C1CCC(N1I)=O AK-76663 [0,1,0,1,0,0|2,0,0]=4 185 B8R1.50 O=C1CCC(N1O)=O AK-94009 [0,1,0,1,0,0|2,0,0]=4 186 B8R1.7 O1CCC[C@@H]1C(=O)O AK-50525 [0,1,0,1,0,0|1,0,1]=4 187 B8R1.7 O1CCC[C@H]1C(=O)O AK-36642 [0,1,0,1,0,0|1,0,1]=4 188 B8R1.7 O=C(C1=CCCC1)O AK-33463 [0,1,0,1,0,0|0,0,0]=2 189 B8R1.7 O=C(C1CCCC1)O AK-39169 [0,1,0,1,0,0|0,0,2]=4 190 B8R1.7 O=C(C1NCCC1)N AK-65799 [0,1,0,1,0,0|1,0,1]=4 191 B8R1.7 O=C(N)[C@H]1NCCC1 AK-46342 [0,1,0,1,0,0|1,0,1]=4 192 B8R1.7 O=C(O)[C@@H]1NCCC1 AK-46775 [0,1,0,1,0,0|1,0,1]=4 193 B8R1.7 O=C(O)[C@H]1NCCC1 AK-44539 [0,1,0,1,0,0|1,0,1]=4 194 B8R1.7 OB(C1=CCCC1)O AK-61970 [0,1,0,1,0,0|1,0,1]=4 195 B8R1.7 OC(=O)C1CCCN1 AK-54077 [0,1,0,1,0,0|1,0,1]=4 196 B8R1.7 OC(=O)C1CCCO1 AK-60899 [0,1,0,1,0,0|1,0,1]=4 197 B8R1.54 OC(=O)C(=O)C1CC1 AK110685 [0,1,0,1,0,0|1,0,1]=4 198 B8R1.78 O=C(C1(C)CCC1)O AK-78655 [0,1,0,1,0,0|0,0,2]=4 199 B8R1.11 CC1=N[NH]C=C1C=O AK-27719 [0,1,0,1,0,0|2,0,0]=4 200 B8R1.11 CSC1=C(C)OC=C1 AK307519 [0,1,0,1,0,0|2,0,0]=4 201 B8R1.11 C[N]1C(=CC=N1)C=O AK-34470 [0,1,0,1,0,0|1,0,1]=4 202 B8R1.11 O=C1C(CC)CCC1 AK112291 [0,1,0,1,0,0|0,0,2]=4 203 B8R1.11 O=C1C(CO)CCC1 AK146211 [0,1,0,1,0,0|0,0,2]=4 204 B8R1.11 O=C1N(CC)CCC1 AK106210 [0,1,0,1,0,0|1,0,1]=4 205 B8R1.11 OCC1=C(C)N=CN1 AK-34958 [0,1,0,1,0,0|2,0,0]=4