0 B5R0.3 BrCC(=C)CBr AK101659 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C(C(CO)=C)O AK-73078 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C=CC(NC)=O AK115593 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.3 C=C[C@H](N)CO AK-78923 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 CCC(CN)=O AK-38468 [0,0,0,0,0,0|1,0,1]=2 5 B5R0.3 CCC(CO)=O AK149491 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.3 CCC(N)CO AK-57405 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.3 CC[C@@H](O)CO AK110229 [0,0,0,0,0,0|1,0,3]=4 8 B5R0.3 CC[C@H](N)CO AK-86460 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.3 CC[C@H](O)CO AK110230 [0,0,0,0,0,0|1,0,3]=4 10 B5R0.3 CNC(=O)CCl AK-82796 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.3 NCC(OC)=O AK-43994 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.3 NNC(=O)CO AK-89508 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.3 NNC(OC)=O AK109362 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.3 NOC(C=C)C AK550274 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.3 O=C(CO)CO AK-46682 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.3 O=C(OC)CO AK-98661 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.3 O=C[C@H](O)CO AK122382 [0,0,0,0,0,0|2,0,2]=4 18 B4R0.1 C(N)C(=O)C AK-42698 [1,0,0,0,0,0|1,0,1]=3 19 B4R0.1 C=CC([O-])=O AK160082 [1,0,0,0,0,0|1,0,0]=2 20 B4R0.1 CC(NN)=N AK114707 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 CCB(O)O AK-25979 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 CCC(N)=N AK-48186 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 C\C(N)=N\O AK-91616 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 N=C(N)CCl AK113548 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 N=C(N)CO AK-40243 [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 N=C(N)OC AK-48234 [1,0,0,0,0,0|3,0,0]=4 27 B4R0.1 N=C(N)SC AK-44125 [1,0,0,0,0,0|3,0,0]=4 28 B4R0.1 NC(=O)CI AK110349 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 NC(NC)=N AK-73103 [1,0,0,0,0,0|3,0,0]=4 30 B4R0.1 NC(OC)=N AK116935 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 NCC(N)=O AK-41459 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 O=C(N)CBr AK-50036 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 O=C(N)NO AK128930 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.1 O=C(O)CN AK-77854 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 O=C([O-])CN AK114167 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.2 C=CCCN AK165308 [1,0,0,0,0,0|1,0,1]=3 37 B4R0.2 C=CC[Pd]Cl AK327212 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.2 NNCCC AK-76893 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.2 NOCC=C AK208821 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.1 C#CCC(OC)=O AK-93397 [0,1,0,0,0,0|1,0,2]=4 41 B6R0.1 C(C(NC)=O)C#N AK-35938 [0,1,0,0,0,0|1,0,2]=4 42 B6R0.1 C=CC[C@@H](N)CO AK684514 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.1 CCCC(NN)=O AK-95909 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.1 O=C(NCC)CN AK-65785 [0,1,0,0,0,0|1,0,1]=3 45 B6R0.1 O=C(NN)COC AK110451 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.1 O=C(OC)C#CBr AK122774 [0,1,0,0,0,0|1,0,2]=4 47 B6R0.1 O=C(OC)CCBr AK-91613 [0,1,0,0,0,0|1,0,1]=3 48 B6R0.1 O=C(OC)CCN AK-46776 [0,1,0,0,0,0|1,0,1]=3 49 B6R0.1 O=C(OC)CCO AK-83355 [0,1,0,0,0,0|1,0,1]=3 50 B6R0.1 O=C(OC)CNC AK-58375 [0,1,0,0,0,0|1,0,1]=3 51 B6R0.1 O=C(OC)OCC AK397345 [0,1,0,0,0,0|1,0,1]=3 52 B6R0.1 O=C(OC)\C=C\I AK-49986 [0,1,0,0,0,0|1,0,0]=2 53 B6R0.1 O=C(OCC)CO AK-98662 [0,1,0,0,0,0|1,0,1]=3 54 B6R0.3 C(C(N)C(O)=O)C AK-46591 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.3 CC(C)\C(N)=N\O AK117017 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.3 CC(N(CC)C)=O AK149250 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.3 CC(N)C(OC)=O AK-48822 [0,1,0,0,0,0|1,0,1]=3 58 B6R0.3 CCC(=O)C(O)=O AK-48379 [0,1,0,0,0,0|1,0,0]=2 59 B6R0.3 CCC(N(C)C)=O AK105976 [0,1,0,0,0,0|1,0,1]=3 60 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [0,1,0,0,0,0|1,0,2]=4 65 B6R0.3 C[C@H](N)C(NC)=O AK-90374 [0,1,0,0,0,0|1,0,1]=3 66 B6R0.3 C\C=C(O)\C(O)=O AK149482 [0,1,0,0,0,0|1,0,2]=4 67 B6R0.3 N[C@@H](C)C(OC)=O AK-46616 [0,1,0,0,0,0|1,0,1]=3 68 B6R0.3 N[C@H](C)C(OC)=O AK-49396 [0,1,0,0,0,0|1,0,1]=3 69 B6R0.3 O=C(N(C)C)CN AK-33842 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.3 O=C(N(C)C)CN AK-39204 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.3 O=C([O-])C(OC)=O AK670985 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.8 CCS(=O)(OC)=O AK544583 [0,1,0,0,0,0|2,0,1]=4 73 B6R1.2 BrC1=NOC=C1 AK-32851 [0,0,0,1,0,0|3,0,0]=4 74 B6R1.2 BrC1=N[NH]C=C1 AK-23694 [0,0,0,1,0,0|3,0,0]=4 75 B6R1.2 C1=C([NH]N=C1)C AK-47298 [0,0,0,1,0,0|3,0,0]=4 76 B6R1.2 C1=CSC=C1I AK-73044 [0,0,0,1,0,0|2,0,1]=4 77 B6R1.2 C1=N[NH]C(=C1)N AK-23634 [0,0,0,1,0,0|3,0,0]=4 78 B6R1.2 CC1=CNC=C1 AK-59534 [0,0,0,1,0,0|2,0,1]=4 79 B6R1.2 ClC1=CC=NN1 AK132931 [0,0,0,1,0,0|3,0,0]=4 80 B6R1.2 ClC1=NNC=C1 AK-64806 [0,0,0,1,0,0|3,0,0]=4 81 B6R1.2 IC1=CC=CS1 AK-77599 [0,0,0,1,0,0|2,0,1]=4 82 B6R1.2 IC1=NNC=C1 AK-31094 [0,0,0,1,0,0|3,0,0]=4 83 B6R1.2 N1=CC=C([NH]1)N AK-36860 [0,0,0,1,0,0|3,0,0]=4 84 B6R1.2 NC1=CC=NO1 AK-46390 [0,0,0,1,0,0|3,0,0]=4 85 B6R1.2 NC1=NCCC1 AK-81762 [0,0,0,1,0,0|2,0,1]=4 86 B6R1.2 NC1=NOC=C1 AK-25502 [0,0,0,1,0,0|3,0,0]=4 87 B6R1.2 O=C1CC=NN1 AK-90809 [0,0,0,1,0,0|2,0,1]=4 88 B6R1.2 O=C1CCNC1 AK-46584 [0,0,0,1,0,0|1,0,1]=3 89 B6R1.2 O=C1CCOC1 AK-27035 [0,0,0,1,0,0|1,0,1]=3 90 B6R1.2 O=C1CSCC1 AK-40135 [0,0,0,1,0,0|1,0,1]=3 91 B6R1.2 O=C1NC=CN1 AK-45238 [0,0,0,1,0,0|2,0,1]=4 92 B6R1.2 O=C1NNC=C1 AK-58738 [0,0,0,1,0,0|2,0,0]=3 93 B6R1.2 O=C1NNCC1 AK-46169 [0,0,0,1,0,0|2,0,0]=3 94 B6R1.2 O=C1NOCC1 AK122832 [0,0,0,1,0,0|2,0,0]=3 95 B6R1.2 O=C1NSC=C1 AK101140 [0,0,0,1,0,0|2,0,0]=3 96 B6R1.2 O=C1OCC=C1 AK163254 [0,0,0,1,0,0|1,0,0]=2 97 B6R1.2 O=C1OCCN1 AK-94050 [0,0,0,1,0,0|2,0,1]=4 98 B6R1.2 O=C1OCCO1 AK101077 [0,0,0,1,0,0|2,0,1]=4 99 B6R1.2 O=C1SCCN1 AK-89361 [0,0,0,1,0,0|2,0,1]=4 100 B6R1.2 OC1=NNC=C1 AK-96005 [0,0,0,1,0,0|2,0,1]=4 101 B3R0.1 CCNC AK325076 [2,0,0,0,0,0|1,0,1]=4 102 B3R0.1 NOCC AK-45000 [2,0,0,0,0,0|2,0,0]=4 103 B3R0.1 ONCC AK162979 [2,0,0,0,0,0|1,0,1]=4 104 B3R0.2 CC(N)=O AK-97258 [2,0,0,0,0,0|1,0,0]=3 105 B3R0.2 CC(O)=O AK-76644 [2,0,0,0,0,0|1,0,0]=3 106 B3R0.2 CC(O)=O AK111414 [2,0,0,0,0,0|1,0,0]=3 107 B3R0.2 CC([O-])=O AK-98692 [2,0,0,0,0,0|1,0,0]=3 108 B3R0.2 [O-]C([O-])=O AK106969 [2,0,0,0,0,0|2,0,0]=4 109 B5R0.1 C#CCC(O)=O AK106962 [1,1,0,0,0,0|1,0,1]=4 110 B5R0.1 C(C#N)C(N)=O AK-73131 [1,1,0,0,0,0|1,0,1]=4 111 B5R0.1 C(C(=O)O)NC AK-47434 [1,1,0,0,0,0|1,0,0]=3 112 B5R0.1 CC#CC(O)=O AK-49957 [1,1,0,0,0,0|1,0,1]=4 113 B5R0.1 CNCC(N)=O AK-90265 [1,1,0,0,0,0|1,0,0]=3 114 B5R0.1 N=C(N)COC AK-86295 [1,1,0,0,0,0|2,0,0]=4 115 B5R0.1 NCCC(N)=O AK-26218 [1,1,0,0,0,0|1,0,0]=3 116 B5R0.1 NCCC(O)=O AK-41261 [1,1,0,0,0,0|1,0,0]=3 117 B5R0.1 NOCC(C)=C AK550273 [1,1,0,0,0,0|2,0,0]=4 118 B5R0.1 O=C(N)CSC AK-34209 [1,1,0,0,0,0|1,0,0]=3 119 B5R0.1 O=P(CCN)O AK477259 [1,1,0,0,0,0|2,0,0]=4 120 B5R0.1 [O+](=C(N)N)CC AK-50388 [1,1,0,0,0,0|2,0,0]=4 121 B5R0.4 C([S](=O)(=O)N)C AK-46734 [1,1,0,0,0,0|2,0,0]=4 122 B5R0.5 C(C(=O)O)(=O)O AK-40231 [1,1,0,0,0,0|2,0,0]=4 123 B5R0.5 C=C(F)C(O)=O AK107642 [1,1,0,0,0,0|1,0,0]=3 124 B5R0.5 CC(C)C(N)=O AK-80490 [1,1,0,0,0,0|1,0,0]=3 125 B5R0.5 CC(O)C([O-])=O AK114515 [1,1,0,0,0,0|1,0,0]=3 126 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [1,1,0,0,0,0|1,0,0]=3 127 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [1,1,0,0,0,0|1,0,0]=3 128 B5R0.5 C[C@H](N)C(N)=O AK-46287 [1,1,0,0,0,0|1,0,0]=3 129 B5R0.5 C[C@H](O)C([O-])=O AK121770 [1,1,0,0,0,0|1,0,0]=3 130 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [1,1,0,0,0,0|1,0,0]=3 131 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [1,1,0,0,0,0|1,0,0]=3 132 B5R0.5 N[C@@H](C)C(O)=O AK650445 [1,1,0,0,0,0|1,0,0]=3 133 B5R0.5 O=C(O)C(O)=O AK116416 [1,1,0,0,0,0|2,0,0]=4 134 B5R0.5 O=C([O-])C(Cl)Cl AK161750 [1,1,0,0,0,0|2,0,0]=4 135 B5R0.5 O=C([O-])C([O-])=O AK112218 [1,1,0,0,0,0|2,0,0]=4 136 B5R0.2 C=CCCCO AK325629 [1,1,0,0,0,0|0,0,1]=3 137 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [0,2,0,0,0,0|1,0,1]=4 138 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [0,2,0,0,0,0|1,0,1]=4 139 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [0,2,0,0,0,0|1,0,1]=4 140 B7R0.2 O=C(NN)CN(C)C AK-86297 [0,2,0,0,0,0|2,0,0]=4 141 B7R0.2 O=C(O)CC(OC)=O AK-77136 [0,2,0,0,0,0|1,0,1]=4 142 B7R0.2 O=C(OC)CC(N)=O AK127795 [0,2,0,0,0,0|1,0,1]=4 143 B7R0.2 OCC(OC(C)C)=O AK-48397 [0,2,0,0,0,0|1,0,1]=4 144 B7R0.3 C=CC(NCCN)=O AK142923 [0,2,0,0,0,0|0,0,0]=2 145 B7R0.3 CCCCC(NN)=O AK114657 [0,2,0,0,0,0|2,0,0]=4 146 B7R0.3 COC(=O)CNC=O AK111067 [0,2,0,0,0,0|1,0,1]=4 147 B7R0.3 O=C(OC)CCCBr AK-94853 [0,2,0,0,0,0|1,0,1]=4 148 B7R0.3 O=C(OC)CCNC AK-85857 [0,2,0,0,0,0|1,0,1]=4 149 B7R0.5 CC(C)C(=O)CC#N AK-34559 [0,2,0,0,0,0|0,0,2]=4 150 B7R0.5 CC(C)C(OCCl)=O AK163215 [0,2,0,0,0,0|1,0,1]=4 151 B7R0.5 CCOC(=O)C(C)N AK-46063 [0,2,0,0,0,0|0,0,2]=4 152 B7R0.5 CCOC(=O)C(N)=O AK-45440 [0,2,0,0,0,0|1,0,0]=3 153 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [0,2,0,0,0,0|0,0,2]=4 154 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [0,2,0,0,0,0|0,0,2]=4 155 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [0,2,0,0,0,0|0,0,2]=4 156 B7R0.5 O=C(OCC)C(N)=S AK-45462 [0,2,0,0,0,0|1,0,0]=3 157 B7R0.7 C(C)OC(CCI)=O AK-46570 [0,2,0,0,0,0|0,0,2]=4 158 B7R0.7 CC#CC(OCC)=O AK-44989 [0,2,0,0,0,0|0,0,2]=4 159 B7R0.7 CCOC(=O)CCBr AK-76993 [0,2,0,0,0,0|0,0,2]=4 160 B7R0.7 CCOC(=O)CCO AK-41251 [0,2,0,0,0,0|0,0,2]=4 161 B7R0.7 O=C(COC)COC AK116819 [0,2,0,0,0,0|0,0,2]=4 162 B7R0.7 O=C(NCC)NCC AK116700 [0,2,0,0,0,0|0,0,2]=4 163 B7R0.7 O=C(OCC)C#CBr AK127753 [0,2,0,0,0,0|0,0,2]=4 164 B7R0.7 O=C(OCC)CCN AK-49791 [0,2,0,0,0,0|0,0,2]=4 165 B7R0.7 O=C(OCC)CNC AK-44190 [0,2,0,0,0,0|0,0,2]=4 166 B7R0.7 O=C(OCC)CNN AK-50556 [0,2,0,0,0,0|1,0,1]=4 167 B7R0.7 O=C(OCC)OCCl AK128867 [0,2,0,0,0,0|1,0,1]=4 168 B7R0.7 O=C(OCC)\C=C\I AK117013 [0,2,0,0,0,0|0,0,0]=2 169 B7R0.10 CCC(N(OC)C)=O AK130253 [0,2,0,0,0,0|1,0,1]=4 170 B7R0.10 CCC(N)C(OC)=O AK115477 [0,2,0,0,0,0|1,0,1]=4 171 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [0,2,0,0,0,0|1,0,1]=4 172 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [0,2,0,0,0,0|1,0,1]=4 173 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [0,2,0,0,0,0|1,0,1]=4 174 B7R0.10 COC(O)C(=O)OC AK-33946 [0,2,0,0,0,0|1,0,1]=4 175 B7R0.10 N[C@H](CO)C(OC)=O AK-44173 [0,2,0,0,0,0|1,0,1]=4 176 B7R0.10 O=C(OC)C(Br)CO AK142725 [0,2,0,0,0,0|1,0,1]=4 177 B7R0.10 O=C(OC)C(N)CO AK-44174 [0,2,0,0,0,0|1,0,1]=4 178 B7R0.10 O=C(OC)[C@@H](C)CBr AK305462 [0,2,0,0,0,0|1,0,1]=4 179 B7R0.10 O=C(OC)[C@@H](C)CO AK-86494 [0,2,0,0,0,0|1,0,1]=4 180 B7R0.10 O=C(OC)[C@@H](N)CO AK-49927 [0,2,0,0,0,0|1,0,1]=4 181 B7R0.10 O=C(OC)[C@H](C)CO AK-86493 [0,2,0,0,0,0|1,0,1]=4 182 B7R0.10 O=C(OC)[C@H](N)CS AK155885 [0,2,0,0,0,0|1,0,1]=4 183 B7R0.10 O=C(OC)[C@H](O)CO AK167363 [0,2,0,0,0,0|1,0,1]=4 184 B7R0.10 O[C@H](C(=O)OC)CO AK-39083 [0,2,0,0,0,0|1,0,1]=4 185 B7R0.10 [C@H](N)(CS)C(OC)=O AK-48929 [0,2,0,0,0,0|1,0,1]=4 186 B7R0.13 C=CS(=O)(N(C)C)=O AK-25225 [0,2,0,0,0,0|2,0,0]=4 187 B7R0.14 CC(C)(O)C(NN)=O AK-98279 [0,2,0,0,0,0|2,0,0]=4 188 B7R0.14 NC(C(=O)OC)(C)C AK-46629 [0,2,0,0,0,0|1,0,1]=4 189 B7R0.16 CC(C)C(C(O)=O)=O AK-82417 [0,2,0,0,0,0|1,0,0]=3 190 B7R0.16 CC(C)C(C([O-])=O)=O AK109059 [0,2,0,0,0,0|1,0,0]=3 191 B7R0.16 CN(C(C(=O)O)=O)C AK-49052 [0,2,0,0,0,0|2,0,0]=4 192 B5R1.2 O1CC(C1)=O AK-32211 [1,0,0,1,0,0|1,0,1]=4 193 B5R1.2 O=C1CNC1 AK-59488 [1,0,0,1,0,0|1,0,1]=4 194 B5R1.2 O=C1CSC1 AK-41121 [1,0,0,1,0,0|1,0,1]=4 195 B5R1.2 O=C1NCC1 AK-36897 [1,0,0,1,0,0|1,0,0]=3 196 B5R1.1 N1CC=CC1 AK-35945 [1,0,0,1,0,0|1,0,1]=4 197 B5R1.1 N1N=CC=C1 AK-80047 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.1 BrCC1=CSC=N1 AK158849 [0,1,0,1,0,0|2,0,0]=4 199 B7R1.1 BrCC1=NC=CN1 AK142906 [0,1,0,1,0,0|2,0,0]=4 200 B7R1.1 C1=C(SC=C1)C=O AK-26482 [0,1,0,1,0,0|1,0,1]=4 201 B7R1.1 C1=C(SC=N1)CO AK-23792 [0,1,0,1,0,0|1,1,0]=4 202 B7R1.1 C1=NC(=CS1)CO AK-23714 [0,1,0,1,0,0|2,0,0]=4 203 B7R1.1 CCC1=CC=CS1 AK-76635 [0,1,0,1,0,0|0,1,0]=3 204 B7R1.1 CCC1=NC=CN1 AK161825 [0,1,0,1,0,0|1,0,0]=3 205 B7R1.1 CCC1=NN=CO1 AK-50871 [0,1,0,1,0,0|1,0,1]=4 206 B7R1.1 CCC1=NNC=N1 AK124531 [0,1,0,1,0,0|2,0,0]=4 207 B7R1.1 CCN1C=CN=C1 AK-47598 [0,1,0,1,0,0|2,0,0]=4 208 B7R1.1 CCN1N=CC=C1 AK-39994 [0,1,0,1,0,0|2,0,0]=4 209 B7R1.1 CNC1=NC=CS1 AK-32595 [0,1,0,1,0,0|1,1,0]=4 210 B7R1.1 COC1=CC=CS1 AK-60885 [0,1,0,1,0,0|1,1,0]=4 211 B7R1.1 COC1=CSC=C1 AK-60944 [0,1,0,1,0,0|1,1,0]=4 212 B7R1.1 COC1=NC=CS1 AK-46322 [0,1,0,1,0,0|1,1,0]=4 213 B7R1.1 ClCC1=CN=CO1 AK143331 [0,1,0,1,0,0|1,0,1]=4 214 B7R1.1 ClCC1=CN=CS1 AK-94779 [0,1,0,1,0,0|1,1,0]=4 215 B7R1.1 ClCC1=NC=CO1 AK-33839 [0,1,0,1,0,0|1,0,1]=4 216 B7R1.1 NCC1=CC=CN1 AK-39872 [0,1,0,1,0,0|2,0,0]=4 217 B7R1.1 NCC1=CC=CS1 AK-46394 [0,1,0,1,0,0|1,1,0]=4 218 B7R1.1 NCC1=CN=CO1 AK-25086 [0,1,0,1,0,0|1,0,1]=4 219 B7R1.1 NCC1=CN=CS1 AK-24530 [0,1,0,1,0,0|1,1,0]=4 220 B7R1.1 NCC1=CNC=C1 AK-67638 [0,1,0,1,0,0|2,0,0]=4 221 B7R1.1 NCC1=CNC=N1 AK-33143 [0,1,0,1,0,0|2,0,0]=4 222 B7R1.1 NCC1=CSC=C1 AK-28306 [0,1,0,1,0,0|1,1,0]=4 223 B7R1.1 NCC1=CSC=C1 AK-48092 [0,1,0,1,0,0|1,1,0]=4 224 B7R1.1 NCC1=NC=CO1 AK-48266 [0,1,0,1,0,0|1,0,1]=4 225 B7R1.1 NCC1=NC=CS1 AK-26128 [0,1,0,1,0,0|1,1,0]=4 226 B7R1.1 NCC1=NC=CS1 AK-95677 [0,1,0,1,0,0|1,1,0]=4 227 B7R1.1 NCC1=NNC=C1 AK-25875 [0,1,0,1,0,0|2,0,0]=4 228 B7R1.1 O=CC1=CC=CN1 AK-25235 [0,1,0,1,0,0|1,0,1]=4 229 B7R1.1 O=CC1=CNC=C1 AK-36182 [0,1,0,1,0,0|1,0,1]=4 230 B7R1.1 O=CC1=CSC=C1 AK-42964 [0,1,0,1,0,0|1,0,1]=4 231 B7R1.1 OCC1=CC=CS1 AK-93468 [0,1,0,1,0,0|1,1,0]=4 232 B7R1.1 OCC1=CC=NO1 AK-68490 [0,1,0,1,0,0|1,0,1]=4 233 B7R1.1 OCC1=CN=CO1 AK-25343 [0,1,0,1,0,0|1,0,1]=4 234 B7R1.1 OCC1=COC=C1 AK-46116 [0,1,0,1,0,0|1,0,1]=4 235 B7R1.1 OCC1=CSC=C1 AK-36199 [0,1,0,1,0,0|1,1,0]=4 236 B7R1.1 OCC1=NC=CN1 AK-44944 [0,1,0,1,0,0|2,0,0]=4 237 B7R1.1 OCC1=NC=CO1 AK-29821 [0,1,0,1,0,0|1,0,1]=4 238 B7R1.1 OCC1=NOC=C1 AK-25087 [0,1,0,1,0,0|1,0,1]=4 239 B7R1.1 [NH]1C=CC(=N1)C=O AK-25900 [0,1,0,1,0,0|2,0,0]=4 240 B7R1.2 C1=C(SC(=C1)Br)C AK-36324 [0,1,0,1,0,0|1,0,1]=4 241 B7R1.2 C1=C[N](N=C1C)C AK-47383 [0,1,0,1,0,0|2,0,0]=4 242 B7R1.2 C1=C[N](N=C1N)C AK-25543 [0,1,0,1,0,0|2,0,0]=4 243 B7R1.2 CN1C=CC(I)=N1 AK-86815 [0,1,0,1,0,0|2,0,0]=4 244 B7R1.2 CN1N=C(Br)C=C1 AK-28794 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.2 N1=C(SCC1=O)N AK-65159 [0,1,0,1,0,0|2,0,0]=4 246 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [0,1,0,1,0,0|1,0,1]=4 247 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [0,1,0,1,0,0|1,0,1]=4 248 B7R1.2 O=C1C=C(NN1)N AK-40891 [0,1,0,1,0,0|2,0,0]=4 249 B7R1.2 O=C1CC(C)=NN1 AK-28727 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.2 O=C1CCC(O1)=O AK139125 [0,1,0,1,0,0|1,0,0]=3 251 B7R1.2 O=C1COC(C)=C1 AK142223 [0,1,0,1,0,0|1,0,0]=3 252 B7R1.2 O=C1N=C(N)OC1 AK-80637 [0,1,0,1,0,0|2,0,0]=4 253 B7R1.2 O=C1N=C(N)SC1 AK-65160 [0,1,0,1,0,0|2,0,0]=4 254 B7R1.2 O=C1NC(CC1)=O AK550047 [0,1,0,1,0,0|1,0,0]=3 255 B7R1.2 O=C1NC(CN1)=O AK307300 [0,1,0,1,0,0|2,0,0]=4 256 B7R1.2 O=C1NC(CO1)=O AK-80133 [0,1,0,1,0,0|2,0,0]=4 257 B7R1.2 O=C1NCC(O)C1 AK-64271 [0,1,0,1,0,0|1,0,1]=4 258 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [0,1,0,1,0,0|1,0,1]=4 259 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [0,1,0,1,0,0|1,0,1]=4 260 B7R1.2 O=C1NN(C)C=C1 AK-67583 [0,1,0,1,0,0|1,0,0]=3 261 B7R1.2 O=C1NNC(C)=C1 AK-25972 [0,1,0,1,0,0|2,0,0]=4 262 B7R1.2 O=C1NOC(C)=C1 AK158281 [0,1,0,1,0,0|2,0,0]=4 263 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,1,0,1,0,0|0,0,2]=4 264 B7R1.2 O=C1OC(C)CC1 AK117314 [0,1,0,1,0,0|0,0,2]=4 265 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [0,1,0,1,0,0|1,0,1]=4 266 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [0,1,0,1,0,0|1,0,1]=4 267 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [0,1,0,1,0,0|1,0,1]=4 268 B7R1.2 O=C1SCC(N1)=O AK-46286 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [0,1,0,1,0,0|1,0,1]=4 270 B7R1.3 C1C(=O)CCNC1 AK-46400 [0,1,0,1,0,0|0,0,2]=4 271 B7R1.3 O=C1C=CC=NN1 AK-29318 [0,1,0,1,0,0|1,0,1]=4 272 B7R1.3 O=C1C=COC=C1 AK110934 [0,1,0,1,0,0|0,0,2]=4 273 B7R1.3 O=C1CCCCO1 AK101117 [0,1,0,1,0,0|0,0,2]=4 274 B7R1.3 O=C1CCCOC1 AK-32516 [0,1,0,1,0,0|0,0,2]=4 275 B7R1.3 O=C1CCOCC1 AK-25731 [0,1,0,1,0,0|0,0,2]=4 276 B7R1.3 O=C1CCSCC1 AK-25499 [0,1,0,1,0,0|0,0,2]=4 277 B7R1.3 O=C1CNCCC1 AK-38925 [0,1,0,1,0,0|0,0,2]=4 278 B7R1.3 O=C1CNCCC1 AK-64363 [0,1,0,1,0,0|0,0,2]=4 279 B7R1.3 O=C1COCC=C1 AK120133 [0,1,0,1,0,0|0,0,0]=2 280 B7R1.3 O=C1COCCN1 AK-37649 [0,1,0,1,0,0|1,0,1]=4 281 B7R1.3 O=C1CSCCC1 AK112945 [0,1,0,1,0,0|0,0,2]=4 282 B7R1.3 O=C1NC=CN=C1 AK-24500 [0,1,0,1,0,0|1,0,1]=4 283 B7R1.3 O=C1NC=NC=C1 Ak-75843 [0,1,0,1,0,0|1,0,1]=4 284 B7R1.3 O=C1NCCC=C1 AK110027 [0,1,0,1,0,0|0,0,0]=2 285 B7R1.3 O=C1NCCCN1 AK-40132 [0,1,0,1,0,0|1,0,1]=4 286 B7R1.3 O=C1NCCNC1 AK-26132 [0,1,0,1,0,0|1,0,1]=4 287 B7R1.3 O=C1NCCSC1 AK-94004 [0,1,0,1,0,0|1,0,1]=4 288 B7R1.3 O=C1OCCOC1 AK117129 [0,1,0,1,0,0|1,0,1]=4 289 B7R1.4 BrC1=CC=N[N]1C AK-34841 [0,1,0,1,0,0|2,0,0]=4 290 B7R1.4 C1=C(N)[N](C)N=C1 AK-23556 [0,1,0,1,0,0|2,0,0]=4 291 B7R1.4 C1=CC(=C(S1)Br)C AK-46588 [0,1,0,1,0,0|1,0,1]=4 292 B7R1.4 CC1=CC=NN1C AK-36127 [0,1,0,1,0,0|2,0,0]=4 293 B7R1.4 CC1=CSC=C1Br AK-34597 [0,1,0,1,0,0|1,0,1]=4 294 B7R1.4 CC1=CSC=C1C AK-45919 [0,1,0,1,0,0|1,0,1]=4 295 B7R1.4 CC1CSCC1=O AK104742 [0,1,0,1,0,0|0,0,2]=4 296 B7R1.4 CN1C(I)=CN=C1 AK-36203 [0,1,0,1,0,0|2,0,0]=4 297 B7R1.4 CN1C=CN=C1C AK-60401 [0,1,0,1,0,0|2,0,0]=4 298 B7R1.4 CN1C=CN=C1Cl AK-79282 [0,1,0,1,0,0|2,0,0]=4 299 B7R1.4 CN1C=CN=C1I AK-34893 [0,1,0,1,0,0|2,0,0]=4 300 B7R1.4 CN1C=NC=C1Br AK-32615 [0,1,0,1,0,0|2,0,0]=4 301 B7R1.4 IC1=CC=N[N]1C AK-34754 [0,1,0,1,0,0|2,0,0]=4 302 B7R1.4 NC1=CN=CN1C AK128338 [0,1,0,1,0,0|2,0,0]=4 303 B7R1.4 NC1=NC=CN1C AK-36047 [0,1,0,1,0,0|2,0,0]=4 304 B7R1.4 NC1=NC=CN1C AK125047 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.4 NC1CONC1=O AK-87856 [0,1,0,1,0,0|2,0,0]=4 306 B7R1.4 NN1CCCC1=O AK-78653 [0,1,0,1,0,0|1,0,1]=4 307 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [0,1,0,1,0,0|1,0,1]=4 308 B7R1.4 N[C@H]1CCOC1=O AK-41531 [0,1,0,1,0,0|1,0,1]=4 309 B7R1.4 O=C1C(CCO1)Br AK-35370 [0,1,0,1,0,0|1,0,1]=4 310 B7R1.4 O=C1C(N)CCS1 AK117085 [0,1,0,1,0,0|1,0,1]=4 311 B7R1.4 O=C1C(O)=CCC1 AK-43709 [0,1,0,1,0,0|0,0,0]=2 312 B7R1.4 O=C1CC=NN1C AK128438 [0,1,0,1,0,0|1,0,1]=4 313 B7R1.4 O=C1N(C)NC=C1 AK113037 [0,1,0,1,0,0|1,0,0]=3 314 B7R1.4 O=C1N(C)SC=C1 AK682465 [0,1,0,1,0,0|1,0,0]=3 315 B7R1.4 O=C1NC=CN1C AK317267 [0,1,0,1,0,0|1,0,0]=3 316 B7R1.4 O=C1NCCN1C AK-78526 [0,1,0,1,0,0|1,0,1]=4 317 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [0,1,0,1,0,0|1,0,1]=4 318 B7R1.4 O=C1NCC[C@H]1N AK-43088 [0,1,0,1,0,0|1,0,1]=4 319 B7R1.4 O=C1NCC[C@H]1O AK-39107 [0,1,0,1,0,0|1,0,1]=4 320 B7R1.4 O=C1NOC[C@H]1N AK-26256 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.4 O=C1OCCC1N AK543042 [0,1,0,1,0,0|1,0,1]=4 322 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [0,1,0,1,0,0|1,0,1]=4 323 B7R1.4 OC1=CC=N[N]1C AK-39760 [0,1,0,1,0,0|1,0,1]=4 324 B7R1.4 OC1CCNC1=O AK-39164 [0,1,0,1,0,0|1,0,1]=4 325 B7R1.14 O=S1(C=CCO1)=O AK-41034 [0,1,0,1,0,0|2,0,0]=4