0 B5R0.3 C=CC(NC)=O AK115593 [0,0,0,0,0,0|1,0,0]=1 1 B5R0.3 C=C[C@H](N)CO AK-78923 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 CCC(CN)=O AK-38468 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 CCC(CO)=O AK149491 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 CNC(=O)CCl AK-82796 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.3 C[C@@H](OC)CN AK153940 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 NCC(OC)=O AK-43994 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.3 NNC(=O)CO AK-89508 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.3 NNC(OC)=O AK109362 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.3 NOC(C=C)C AK550274 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.3 O=C(CO)CO AK-46682 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.3 O=C(OC)CO AK-98661 [0,0,0,0,0,0|1,0,1]=2 12 B4R0.1 C(N)C(=O)C AK-42698 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 C=CC([O-])=O AK160082 [1,0,0,0,0,0|0,0,1]=2 14 B4R0.1 CC(NN)=N AK114707 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 CCC(N)=N AK-48186 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 C\C(N)=N\O AK-91616 [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 N=C(N)OC AK-48234 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.1 N=C(N)SC AK-44125 [1,0,0,0,0,0|2,1,0]=4 19 B4R0.1 NC(=O)CI AK110349 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 NC(NC)=N AK-73103 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 NC(OC)=N AK116935 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.1 NCC(N)=O AK-41459 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 O=C(N)CBr AK-50036 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 O=C(N)NO AK128930 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 O=C(O)CN AK-77854 [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 O=C([O-])CN AK114167 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.2 C=CCCN AK165308 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.2 C=CC[Pd]Cl AK327212 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.2 NOCC=C AK208821 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.1 C#CCC(OC)=O AK-93397 [0,1,0,0,0,0|0,0,2]=3 31 B6R0.1 C(C(NC)=O)C#N AK-35938 [0,1,0,0,0,0|1,0,2]=4 32 B6R0.1 CCCC(NN)=O AK-95909 [0,1,0,0,0,0|3,0,0]=4 33 B6R0.1 O=C(NCC)CN AK-65785 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.1 O=C(NN)COC AK110451 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.1 O=C(OC)C#CBr AK122774 [0,1,0,0,0,0|0,0,2]=3 36 B6R0.1 O=C(OC)CCBr AK-91613 [0,1,0,0,0,0|0,0,2]=3 37 B6R0.1 O=C(OC)CCN AK-46776 [0,1,0,0,0,0|0,0,2]=3 38 B6R0.1 O=C(OC)CCO AK-83355 [0,1,0,0,0,0|0,0,2]=3 39 B6R0.1 O=C(OC)CNC AK-58375 [0,1,0,0,0,0|0,0,2]=3 40 B6R0.1 O=C(OC)OCC AK397345 [0,1,0,0,0,0|0,0,2]=3 41 B6R0.1 O=C(OC)\C=C\I AK-49986 [0,1,0,0,0,0|0,0,0]=1 42 B6R0.1 O=C(OCC)CO AK-98662 [0,1,0,0,0,0|1,0,1]=3 43 B6R0.3 CC(N)C(OC)=O AK-48822 [0,1,0,0,0,0|0,0,2]=3 44 B6R0.3 CCC(=O)C(O)=O AK-48379 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.3 CCC(N(C)C)=O AK105976 [0,1,0,0,0,0|1,0,2]=4 46 B6R0.3 COC(C)C(O)=O AK-49797 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.3 C[C@H](N)C(NC)=O AK-90374 [0,1,0,0,0,0|1,0,2]=4 48 B6R0.3 C[C@H](OC)C(O)=O AK167072 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.3 C\C=C(O)\C(O)=O AK149482 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.3 N[C@@H](C)C(OC)=O AK-46616 [0,1,0,0,0,0|0,0,2]=3 51 B6R0.3 N[C@H](C)C(OC)=O AK-49396 [0,1,0,0,0,0|0,0,2]=3 52 B6R0.3 O=C(N(C)C)CN AK-33842 [0,1,0,0,0,0|2,0,1]=4 53 B6R0.3 O=C(N(C)C)CN AK-39204 [0,1,0,0,0,0|2,0,1]=4 54 B6R0.3 O=C([O-])C(OC)=O AK670985 [0,1,0,0,0,0|1,0,0]=2 55 B6R0.8 CCS(=O)(OC)=O AK544583 [0,1,0,0,0,0|1,0,2]=4 56 B6R0.9 COC(OC)C=O AK-65152 [0,1,0,0,0,0|1,0,2]=4 57 B6R1.2 BrC1=NOC=C1 AK-32851 [0,0,0,1,0,0|3,0,0]=4 58 B6R1.2 BrC1=N[NH]C=C1 AK-23694 [0,0,0,1,0,0|3,0,0]=4 59 B6R1.2 C1=C([NH]N=C1)C AK-47298 [0,0,0,1,0,0|3,0,0]=4 60 B6R1.2 C1=CSC=C1I AK-73044 [0,0,0,1,0,0|3,0,0]=4 61 B6R1.2 C1=N[NH]C(=C1)N AK-23634 [0,0,0,1,0,0|3,0,0]=4 62 B6R1.2 CC1=CNC=C1 AK-59534 [0,0,0,1,0,0|3,0,0]=4 63 B6R1.2 ClC1=CC=NN1 AK132931 [0,0,0,1,0,0|3,0,0]=4 64 B6R1.2 ClC1=NNC=C1 AK-64806 [0,0,0,1,0,0|3,0,0]=4 65 B6R1.2 IC1=CC=CS1 AK-77599 [0,0,0,1,0,0|1,1,1]=4 66 B6R1.2 IC1=NNC=C1 AK-31094 [0,0,0,1,0,0|3,0,0]=4 67 B6R1.2 N1=CC=C([NH]1)N AK-36860 [0,0,0,1,0,0|3,0,0]=4 68 B6R1.2 NC1=CC=NO1 AK-46390 [0,0,0,1,0,0|2,0,0]=3 69 B6R1.2 NC1=NC=CO1 AK-25998 [0,0,0,1,0,0|2,0,1]=4 70 B6R1.2 NC1=NOC=C1 AK-25502 [0,0,0,1,0,0|3,0,0]=4 71 B6R1.2 O=C1CC=NN1 AK-90809 [0,0,0,1,0,0|2,0,1]=4 72 B6R1.2 O=C1CCNC1 AK-46584 [0,0,0,1,0,0|2,0,1]=4 73 B6R1.2 O=C1CCOC1 AK-27035 [0,0,0,1,0,0|2,0,1]=4 74 B6R1.2 O=C1CSCC1 AK-40135 [0,0,0,1,0,0|2,0,1]=4 75 B6R1.2 O=C1NC=CN1 AK-45238 [0,0,0,1,0,0|2,0,1]=4 76 B6R1.2 O=C1NNC=C1 AK-58738 [0,0,0,1,0,0|2,0,0]=3 77 B6R1.2 O=C1NNCC1 AK-46169 [0,0,0,1,0,0|3,0,0]=4 78 B6R1.2 O=C1NOCC1 AK122832 [0,0,0,1,0,0|3,0,0]=4 79 B6R1.2 O=C1NSC=C1 AK101140 [0,0,0,1,0,0|2,0,0]=3 80 B6R1.2 O=C1OCC=C1 AK163254 [0,0,0,1,0,0|0,0,0]=1 81 B6R1.2 O=C1OCCN1 AK-94050 [0,0,0,1,0,0|1,0,1]=3 82 B6R1.2 O=C1OCCO1 AK101077 [0,0,0,1,0,0|1,0,1]=3 83 B6R1.2 O=C1SCCN1 AK-89361 [0,0,0,1,0,0|1,1,1]=4 84 B6R1.2 OC1=NNC=C1 AK-96005 [0,0,0,1,0,0|2,0,1]=4 85 B3R0.1 CONC AK-41541 [2,0,0,0,0,0|1,0,1]=4 86 B3R0.2 CC(N)=O AK-97258 [2,0,0,0,0,0|1,0,0]=3 87 B3R0.2 CC(O)=O AK-76644 [2,0,0,0,0,0|0,0,1]=3 88 B3R0.2 CC(O)=O AK111414 [2,0,0,0,0,0|0,0,1]=3 89 B3R0.2 CC([O-])=O AK-98692 [2,0,0,0,0,0|1,0,0]=3 90 B3R0.2 [O-]C([O-])=O AK106969 [2,0,0,0,0,0|1,0,1]=4 91 B5R0.1 C#CCC(O)=O AK106962 [1,1,0,0,0,0|0,0,2]=4 92 B5R0.1 C(C(=O)O)NC AK-47434 [1,1,0,0,0,0|0,0,2]=4 93 B5R0.1 CC#CC(O)=O AK-49957 [1,1,0,0,0,0|0,0,2]=4 94 B5R0.1 CNCC(N)=O AK-90265 [1,1,0,0,0,0|2,0,0]=4 95 B5R0.1 N=C(N)COC AK-86295 [1,1,0,0,0,0|2,0,0]=4 96 B5R0.1 NCCC(N)=O AK-26218 [1,1,0,0,0,0|2,0,0]=4 97 B5R0.1 NCCC(O)=O AK-41261 [1,1,0,0,0,0|0,0,2]=4 98 B5R0.1 NOCC(C)=C AK550273 [1,1,0,0,0,0|2,0,0]=4 99 B5R0.1 O=C(N)CSC AK-34209 [1,1,0,0,0,0|1,1,0]=4 100 B5R0.4 CS(=O)(OC)=O AK114353 [1,1,0,0,0,0|1,0,1]=4 101 B5R0.5 C(C(=O)O)(=O)O AK-40231 [1,1,0,0,0,0|1,0,0]=3 102 B5R0.5 C=C(F)C(O)=O AK107642 [1,1,0,0,0,0|0,0,0]=2 103 B5R0.5 CC(C)C(N)=O AK-80490 [1,1,0,0,0,0|2,0,0]=4 104 B5R0.5 CC(O)C([O-])=O AK114515 [1,1,0,0,0,0|2,0,0]=4 105 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [1,1,0,0,0,0|2,0,0]=4 106 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [1,1,0,0,0,0|0,0,2]=4 107 B5R0.5 C[C@H](N)C(N)=O AK-46287 [1,1,0,0,0,0|2,0,0]=4 108 B5R0.5 C[C@H](O)C([O-])=O AK121770 [1,1,0,0,0,0|2,0,0]=4 109 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [1,1,0,0,0,0|2,0,0]=4 110 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [1,1,0,0,0,0|0,0,2]=4 111 B5R0.5 N[C@@H](C)C(O)=O AK650445 [1,1,0,0,0,0|0,0,2]=4 112 B5R0.5 O=C(O)C(O)=O AK116416 [1,1,0,0,0,0|1,0,0]=3 113 B5R0.5 O=C([O-])C([O-])=O AK112218 [1,1,0,0,0,0|1,0,1]=4 114 B5R0.2 C=CCCCO AK325629 [1,1,0,0,0,0|1,0,1]=4 115 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [0,2,0,0,0,0|0,0,2]=4 116 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [0,2,0,0,0,0|0,0,2]=4 117 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [0,2,0,0,0,0|0,0,2]=4 118 B7R0.2 O=C(O)CC(OC)=O AK-77136 [0,2,0,0,0,0|0,0,1]=3 119 B7R0.2 O=C(OC)CC(N)=O AK127795 [0,2,0,0,0,0|0,0,1]=3 120 B7R0.2 OCC(OC(C)C)=O AK-48397 [0,2,0,0,0,0|1,0,1]=4 121 B7R0.3 C=CC(NCCN)=O AK142923 [0,2,0,0,0,0|1,0,0]=3 122 B7R0.3 COC(=O)CNC=O AK111067 [0,2,0,0,0,0|0,0,1]=3 123 B7R0.3 O=C(OC)CCCBr AK-94853 [0,2,0,0,0,0|0,0,2]=4 124 B7R0.3 O=C(OC)CCNC AK-85857 [0,2,0,0,0,0|0,0,2]=4 125 B7R0.5 CC(C)C(OCCl)=O AK163215 [0,2,0,0,0,0|0,0,2]=4 126 B7R0.5 CCOC(=O)C(C)N AK-46063 [0,2,0,0,0,0|0,0,2]=4 127 B7R0.5 CCOC(=O)C(N)=O AK-45440 [0,2,0,0,0,0|1,0,0]=3 128 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [0,2,0,0,0,0|0,0,2]=4 129 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [0,2,0,0,0,0|0,0,2]=4 130 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [0,2,0,0,0,0|0,0,2]=4 131 B7R0.5 O=C(OCC)C(N)=S AK-45462 [0,2,0,0,0,0|1,0,0]=3 132 B7R0.7 C(C)OC(CCI)=O AK-46570 [0,2,0,0,0,0|0,0,2]=4 133 B7R0.7 CC#CC(OCC)=O AK-44989 [0,2,0,0,0,0|0,0,2]=4 134 B7R0.7 CCOC(=O)CCBr AK-76993 [0,2,0,0,0,0|0,0,2]=4 135 B7R0.7 CCOC(=O)CCO AK-41251 [0,2,0,0,0,0|0,0,2]=4 136 B7R0.7 O=C(COC)COC AK116819 [0,2,0,0,0,0|0,0,2]=4 137 B7R0.7 O=C(OCC)C#CBr AK127753 [0,2,0,0,0,0|0,0,2]=4 138 B7R0.7 O=C(OCC)CCN AK-49791 [0,2,0,0,0,0|0,0,2]=4 139 B7R0.7 O=C(OCC)CNC AK-44190 [0,2,0,0,0,0|0,0,2]=4 140 B7R0.7 O=C(OCC)CNN AK-50556 [0,2,0,0,0,0|1,0,1]=4 141 B7R0.7 O=C(OCC)OCCl AK128867 [0,2,0,0,0,0|0,0,2]=4 142 B7R0.7 O=C(OCC)\C=C\I AK117013 [0,2,0,0,0,0|0,0,0]=2 143 B7R0.10 CCC(N(OC)C)=O AK130253 [0,2,0,0,0,0|0,0,2]=4 144 B7R0.10 CCC(N)C(OC)=O AK115477 [0,2,0,0,0,0|0,0,2]=4 145 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [0,2,0,0,0,0|0,0,2]=4 146 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [0,2,0,0,0,0|0,0,2]=4 147 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [0,2,0,0,0,0|0,0,2]=4 148 B7R0.10 COC(O)C(=O)OC AK-33946 [0,2,0,0,0,0|0,0,2]=4 149 B7R0.10 CON(C)C(=O)CCl AK-36069 [0,2,0,0,0,0|1,0,1]=4 150 B7R0.10 N[C@H](CO)C(OC)=O AK-44173 [0,2,0,0,0,0|0,0,2]=4 151 B7R0.10 O=C(OC)C(Br)CO AK142725 [0,2,0,0,0,0|0,0,2]=4 152 B7R0.10 O=C(OC)C(N)CO AK-44174 [0,2,0,0,0,0|0,0,2]=4 153 B7R0.10 O=C(OC)[C@@H](C)CBr AK305462 [0,2,0,0,0,0|0,0,2]=4 154 B7R0.10 O=C(OC)[C@@H](C)CO AK-86494 [0,2,0,0,0,0|0,0,2]=4 155 B7R0.10 O=C(OC)[C@@H](N)CO AK-49927 [0,2,0,0,0,0|0,0,2]=4 156 B7R0.10 O=C(OC)[C@H](C)CO AK-86493 [0,2,0,0,0,0|0,0,2]=4 157 B7R0.10 O=C(OC)[C@H](N)CS AK155885 [0,2,0,0,0,0|0,0,2]=4 158 B7R0.10 O=C(OC)[C@H](O)CO AK167363 [0,2,0,0,0,0|0,0,2]=4 159 B7R0.10 O[C@H](C(=O)OC)CO AK-39083 [0,2,0,0,0,0|0,0,2]=4 160 B7R0.10 [C@H](N)(CS)C(OC)=O AK-48929 [0,2,0,0,0,0|0,0,2]=4 161 B7R0.13 C=CS(=O)(N(C)C)=O AK-25225 [0,2,0,0,0,0|2,0,0]=4 162 B7R0.14 NC(C(=O)OC)(C)C AK-46629 [0,2,0,0,0,0|0,0,2]=4 163 B7R0.16 CC(C)C(C(O)=O)=O AK-82417 [0,2,0,0,0,0|2,0,0]=4 164 B7R0.16 CC(C)C(C([O-])=O)=O AK109059 [0,2,0,0,0,0|2,0,0]=4 165 B7R0.16 CN(C(C(=O)O)=O)C AK-49052 [0,2,0,0,0,0|2,0,0]=4 166 B5R1.2 O1CC(C1)=O AK-32211 [1,0,0,1,0,0|1,0,1]=4 167 B5R1.2 O=C1CNC1 AK-59488 [1,0,0,1,0,0|1,0,1]=4 168 B5R1.2 O=C1CSC1 AK-41121 [1,0,0,1,0,0|1,0,1]=4 169 B5R1.2 O=C1NCC1 AK-36897 [1,0,0,1,0,0|1,0,1]=4 170 B5R1.1 N1CC=CC1 AK-35945 [1,0,0,1,0,0|1,0,1]=4 171 B5R1.1 N1N=CC=C1 AK-80047 [1,0,0,1,0,0|2,0,0]=4 172 B7R1.1 C1=C(SC=C1)C=O AK-26482 [0,1,0,1,0,0|0,1,1]=4 173 B7R1.1 CCC1=CC=CS1 AK-76635 [0,1,0,1,0,0|1,1,0]=4 174 B7R1.1 CCC1=NC=CN1 AK161825 [0,1,0,1,0,0|2,0,0]=4 175 B7R1.1 CNC1=NC=CS1 AK-32595 [0,1,0,1,0,0|1,1,0]=4 176 B7R1.1 COC1=CC=CS1 AK-60885 [0,1,0,1,0,0|0,1,0]=3 177 B7R1.1 COC1=CNN=C1 AK200730 [0,1,0,1,0,0|2,0,0]=4 178 B7R1.1 COC1=CSC=C1 AK-60944 [0,1,0,1,0,0|0,1,0]=3 179 B7R1.1 COC1=NC=CS1 AK-46322 [0,1,0,1,0,0|0,1,0]=3 180 B7R1.1 O=CC1=CC=CN1 AK-25235 [0,1,0,1,0,0|1,0,1]=4 181 B7R1.1 O=CC1=CNC=C1 AK-36182 [0,1,0,1,0,0|2,0,0]=4 182 B7R1.1 O=CC1=CSC=C1 AK-42964 [0,1,0,1,0,0|2,0,0]=4 183 B7R1.1 OCC1=CC=NO1 AK-68490 [0,1,0,1,0,0|1,0,1]=4 184 B7R1.1 [NH]1C=CC(=N1)C=O AK-25900 [0,1,0,1,0,0|2,0,0]=4 185 B7R1.2 C1=C(SC(=C1)Br)C AK-36324 [0,1,0,1,0,0|1,1,0]=4 186 B7R1.2 C1=C[N](N=C1C)C AK-47383 [0,1,0,1,0,0|2,0,0]=4 187 B7R1.2 C1=C[N](N=C1N)C AK-25543 [0,1,0,1,0,0|2,0,0]=4 188 B7R1.2 CC1=CC(Br)=NO1 AK-34396 [0,1,0,1,0,0|2,0,0]=4 189 B7R1.2 CC1=CC(N)=NO1 AK-32792 [0,1,0,1,0,0|2,0,0]=4 190 B7R1.2 CC1=NOC(N)=C1 AK-33327 [0,1,0,1,0,0|2,0,0]=4 191 B7R1.2 CN1C=CC(I)=N1 AK-86815 [0,1,0,1,0,0|2,0,0]=4 192 B7R1.2 CN1N=C(Br)C=C1 AK-28794 [0,1,0,1,0,0|2,0,0]=4 193 B7R1.2 FC1COC(=O)O1 AK111108 [0,1,0,1,0,0|1,0,1]=4 194 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [0,1,0,1,0,0|0,0,2]=4 195 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [0,1,0,1,0,0|0,0,2]=4 196 B7R1.2 O=C1C=C(NN1)N AK-40891 [0,1,0,1,0,0|2,0,0]=4 197 B7R1.2 O=C1CCC(O1)=O AK139125 [0,1,0,1,0,0|2,0,0]=4 198 B7R1.2 O=C1COC(C)=C1 AK142223 [0,1,0,1,0,0|1,0,0]=3 199 B7R1.2 O=C1N=C(N)OC1 AK-80637 [0,1,0,1,0,0|2,0,0]=4 200 B7R1.2 O=C1NC(CC1)=O AK550047 [0,1,0,1,0,0|2,0,0]=4 201 B7R1.2 O=C1NC(CN1)=O AK307300 [0,1,0,1,0,0|2,0,0]=4 202 B7R1.2 O=C1NC(CO1)=O AK-80133 [0,1,0,1,0,0|1,0,0]=3 203 B7R1.2 O=C1NN(C)C=C1 AK-67583 [0,1,0,1,0,0|1,0,0]=3 204 B7R1.2 O=C1NNC(C)=C1 AK-25972 [0,1,0,1,0,0|2,0,0]=4 205 B7R1.2 O=C1NOC(C)=C1 AK158281 [0,1,0,1,0,0|2,0,0]=4 206 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,1,0,1,0,0|0,0,1]=3 207 B7R1.2 O=C1OC(C)CC1 AK117314 [0,1,0,1,0,0|0,0,2]=4 208 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [0,1,0,1,0,0|0,0,2]=4 209 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [0,1,0,1,0,0|0,0,2]=4 210 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [0,1,0,1,0,0|0,0,2]=4 211 B7R1.2 O=C1SCC(N1)=O AK-46286 [0,1,0,1,0,0|1,1,0]=4 212 B7R1.3 O=C1C=CC=NN1 AK-29318 [0,1,0,1,0,0|1,0,1]=4 213 B7R1.3 O=C1C=COC=C1 AK110934 [0,1,0,1,0,0|1,0,1]=4 214 B7R1.3 O=C1CCCCO1 AK101117 [0,1,0,1,0,0|0,0,2]=4 215 B7R1.3 O=C1CCCOC1 AK-32516 [0,1,0,1,0,0|0,0,2]=4 216 B7R1.3 O=C1COCC=C1 AK120133 [0,1,0,1,0,0|0,0,0]=2 217 B7R1.3 O=C1COCCN1 AK-37649 [0,1,0,1,0,0|1,0,1]=4 218 B7R1.3 O=C1NC=CN=C1 AK-24500 [0,1,0,1,0,0|1,0,1]=4 219 B7R1.3 O=C1NC=NC=C1 Ak-75843 [0,1,0,1,0,0|1,0,1]=4 220 B7R1.3 O=C1NCCC=C1 AK110027 [0,1,0,1,0,0|1,0,0]=3 221 B7R1.3 O=C1OCCOC1 AK117129 [0,1,0,1,0,0|0,0,2]=4 222 B7R1.4 BrC1=CC=N[N]1C AK-34841 [0,1,0,1,0,0|2,0,0]=4 223 B7R1.4 C1=C(N)[N](C)N=C1 AK-23556 [0,1,0,1,0,0|2,0,0]=4 224 B7R1.4 C1=CC(=C(S1)Br)C AK-46588 [0,1,0,1,0,0|2,0,0]=4 225 B7R1.4 CC1=C(Br)C=NO1 AK112982 [0,1,0,1,0,0|2,0,0]=4 226 B7R1.4 CC1=CC=NN1C AK-36127 [0,1,0,1,0,0|2,0,0]=4 227 B7R1.4 CC1=CSC=C1Br AK-34597 [0,1,0,1,0,0|2,0,0]=4 228 B7R1.4 CC1=CSC=C1C AK-45919 [0,1,0,1,0,0|2,0,0]=4 229 B7R1.4 CN1C(I)=CN=C1 AK-36203 [0,1,0,1,0,0|2,0,0]=4 230 B7R1.4 CN1C=CN=C1C AK-60401 [0,1,0,1,0,0|2,0,0]=4 231 B7R1.4 CN1C=CN=C1Cl AK-79282 [0,1,0,1,0,0|2,0,0]=4 232 B7R1.4 CN1C=CN=C1I AK-34893 [0,1,0,1,0,0|2,0,0]=4 233 B7R1.4 CN1C=NC=C1Br AK-32615 [0,1,0,1,0,0|2,0,0]=4 234 B7R1.4 IC1=CC=N[N]1C AK-34754 [0,1,0,1,0,0|2,0,0]=4 235 B7R1.4 NC1=CN=CN1C AK128338 [0,1,0,1,0,0|2,0,0]=4 236 B7R1.4 NC1=NC=CN1C AK-36047 [0,1,0,1,0,0|2,0,0]=4 237 B7R1.4 NC1=NC=CN1C AK125047 [0,1,0,1,0,0|2,0,0]=4 238 B7R1.4 NC1CONC1=O AK-87856 [0,1,0,1,0,0|1,0,1]=4 239 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [0,1,0,1,0,0|0,0,2]=4 240 B7R1.4 N[C@H]1CCOC1=O AK-41531 [0,1,0,1,0,0|0,0,2]=4 241 B7R1.4 O=C1C(CCO1)Br AK-35370 [0,1,0,1,0,0|0,0,2]=4 242 B7R1.4 O=C1C(O)=CCC1 AK-43709 [0,1,0,1,0,0|1,0,0]=3 243 B7R1.4 O=C1CC=NN1C AK128438 [0,1,0,1,0,0|1,0,1]=4 244 B7R1.4 O=C1N(C)NC=C1 AK113037 [0,1,0,1,0,0|1,0,0]=3 245 B7R1.4 O=C1N(C)SC=C1 AK682465 [0,1,0,1,0,0|1,0,0]=3 246 B7R1.4 O=C1NC=CN1C AK317267 [0,1,0,1,0,0|1,0,0]=3 247 B7R1.4 O=C1NOC[C@H]1N AK-26256 [0,1,0,1,0,0|1,0,1]=4 248 B7R1.4 O=C1OCCC1N AK543042 [0,1,0,1,0,0|0,0,2]=4 249 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [0,1,0,1,0,0|0,0,2]=4 250 B7R1.4 OC1=CC=N[N]1C AK-39760 [0,1,0,1,0,0|1,0,1]=4 251 B7R1.14 O=S1(C=CCO1)=O AK-41034 [0,1,0,1,0,0|1,0,0]=3