0 B10R1.113 C=C(C)C1=CC(Br)=CN=C1 27507 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 AC1313 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 A10170 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 W17608 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.113 CC(=O)C1=CC(C)=NC=C1 27585 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 78890 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.113 CC(=O)C1=CC(F)=CN=C1 N13069 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.113 CC(=O)C1=CC(F)=NC=C1 52239 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.113 CC(=O)C1=CC(N)=NC=C1 82952 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F30144 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 Y14516 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.113 CC(=O)C1=C[N+]([O-])=CC=C1 31268 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.113 CC(=O)C1=NC(C)=NC=C1 D70257 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.113 CC(=O)C1=NC(N)=NC=C1 75052 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 RB1136 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.113 CC(=O)C1=NC=CC(N)=C1 C72011 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.113 CC1=CC(C(=N)N)=NC=C1 W12205 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.113 CC1=CC(C(=O)O)=NN=C1 P15424 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.113 CC1=CC([C@H](C)O)=NC=C1 AB7628 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.113 CC1=CC=CC(C(=N)N)=N1 W12204 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.113 CC1=CC=CC(C(N)=O)=N1 AB10051 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 79174 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 I11812 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10001 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10156 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y11645 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11160 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11161 [0,0,0,0,0,0|2,0,1]=3 30 B10R1.113 CC1=CC=CC([C@H](C)O)=N1 AB7630 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.113 CC1=CC=CC([N+](=O)[O-])=N1 W17269 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.113 CC1=CC=NC(C(=O)O)=N1 26974 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.113 CC1=NC=CC(C(N)=O)=C1 F11696 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 20368 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 Y10443 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 80051 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y10165 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y11266 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 35666 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 I10702 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 SC1338 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y10157 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y14762 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70881 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y13415 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N12887 [0,0,0,0,0,0|2,0,1]=3 47 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N13189 [0,0,0,0,0,0|2,0,1]=3 48 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10220 [0,0,0,0,0,0|2,0,1]=3 49 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10873 [0,0,0,0,0,0|2,0,1]=3 50 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 SC1266 [0,0,0,0,0,0|2,0,1]=3 51 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1260 [0,0,0,0,0,0|2,0,1]=3 52 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1269 [0,0,0,0,0,0|2,0,1]=3 53 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1248 [0,0,0,0,0,0|2,0,1]=3 54 B10R1.113 C[C@H](O)C1=NC=CC(Br)=C1 AC1228 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 41976 [0,0,0,0,0,0|2,0,1]=3 56 B10R1.113 FC(F)C1=CC=CC(I)=C1 72424 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.113 NC(=O)C1=CC(O)=CC=C1 C75901 [0,0,0,0,0,0|1,0,0]=1 58 B10R1.113 NC(=O)C1=CC=CC(Cl)=N1 78773 [0,0,0,0,0,0|3,0,0]=3 59 B10R1.113 NC(=O)C1=CC=NC(Cl)=N1 24231 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.113 NC(=O)C1=CN=CC(O)=C1 W18378 [0,0,0,0,0,0|2,0,0]=2 61 B10R1.113 NC(=O)C1=NC(N)=NC=C1 C73521 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.113 NC(=O)C1=NC(O)=CC=C1 C77024 [0,0,0,0,0,0|2,0,0]=2 63 B10R1.113 NC(=O)C1=NC=CC(N)=C1 S11442 [0,0,0,0,0,0|3,0,0]=3 64 B10R1.113 NC(=O)C1=NC=NC(O)=C1 F17317 [0,0,0,0,0,0|3,0,0]=3 65 B10R1.113 NC(=S)C1=CN=CC(F)=C1 W11938 [0,0,0,0,0,0|3,1,0]=4 66 B10R1.113 NC1=CC(B(O)O)=CN=C1 69521 [0,0,0,0,0,0|3,0,1]=4 67 B10R1.113 NC1=CC(C(=O)O)=CN=N1 P17402 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.113 NC1=CC(C(=O)O)=NC=N1 26498 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.113 NC1=CC([N+](=O)[O-])=NC=C1 CS1209 [0,0,0,0,0,0|3,0,1]=4 70 B10R1.113 NC1=CN=CC(C(=O)O)=N1 26349 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.113 NC1=NC=CC(B(O)O)=C1 32925 [0,0,0,0,0,0|3,0,1]=4 72 B10R1.113 NC1=NC=CC([N+](=O)[O-])=C1 24953 [0,0,0,0,0,0|3,0,1]=4 73 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 78664 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=N1 F18835 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C76563 [0,0,0,0,0,0|3,0,0]=3 76 B10R1.113 O=C(O)C1=CC(S)=NC=C1 77943 [0,0,0,0,0,0|1,1,0]=2 77 B10R1.113 O=C(O)C1=CC=NC(Br)=N1 W17831 [0,0,0,0,0,0|3,0,0]=3 78 B10R1.113 O=C(O)C1=NC=CC(Cl)=N1 F19652 [0,0,0,0,0,0|3,0,0]=3 79 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CL0347 [0,0,0,0,0,0|2,0,0]=2 80 B10R1.113 O=C([O-])C1=NC(O)=CN=C1 P19772 [0,0,0,0,0,0|2,0,1]=3 81 B10R1.113 O=C1C=CC[C@H](C(=O)O)C1 F18279 [0,0,0,0,0,0|0,0,4]=4 82 B10R1.113 O=C1C=CNC(C(=O)O)=C1 N13374 [0,0,0,0,0,0|1,0,1]=2 83 B10R1.113 O=[N+]([O-])C1=CC(F)=NC=C1 78728 [0,0,0,0,0,0|3,0,1]=4 84 B10R1.113 O=[N+]([O-])C1=CC=CC(Cl)=N1 BL000528 [0,0,0,0,0,0|3,0,1]=4 85 B10R1.113 O=[N+]([O-])C1=CN=CC(O)=C1 26591 [0,0,0,0,0,0|2,0,1]=3 86 B10R1.113 O=[N+]([O-])C1=NC=CC(Br)=C1 C77097 [0,0,0,0,0,0|3,0,1]=4 87 B10R1.113 O=[N+]([O-])C1=NC=CC(F)=C1 C76921 [0,0,0,0,0,0|3,0,1]=4 88 B10R1.113 O=[N+]([O-])C1=NC=CC(O)=C1 H10537 [0,0,0,0,0,0|2,0,1]=3 89 B10R1.113 OB(O)C1=CC(O)=CN=C1 FD10099 [0,0,0,0,0,0|2,0,1]=3 90 B10R1.113 OB(O)C1=CC(O)=NC=C1 F30148 [0,0,0,0,0,0|2,0,1]=3 91 B10R1.113 OB(O)C1=NC=CC(Cl)=C1 S11103 [0,0,0,0,0,0|3,0,1]=4 92 B10R1.113 OC1=CC=CC(C(F)F)=C1 71582 [0,0,0,0,0,0|2,0,1]=3 93 B9R1.2 C=CC1=CC(Br)=CN=C1 50995 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.2 C=CC1=CC(Br)=NC=C1 60113 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.2 C=CC1=CC(C)=CC=C1 F16162 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.2 C=CC1=CC(C)=CN=C1 79122 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.2 C=CC1=CC=CC(Br)=N1 27481 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.2 C=CC1=NC(C)=CC=C1 C71408 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.2 C=CC1=NC=CC(Br)=C1 C75345 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.2 C=CC1=NC=CC(Cl)=C1 C77362 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.2 C=CC1=NC=CC(N)=C1 D82535 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.2 CNC1=CC(N)=CC=C1 36494 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.2 CSC1=CC(F)=CC=C1 A12732 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.2 CSC1=CC(O)=CC=C1 W12966 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.2 N#CC1=NC=CC(O)=C1 C75263 [1,0,0,0,0,0|2,0,1]=4 107 B9R1.2 N#[N+]C1=CC=CC(Br)=C1 98381 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.2 NC1=CC(CO)=CN=C1 20770 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.2 NC1=CC(CO)=NC=C1 AC1095 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.2 NC1=CC=CC(C=O)=C1 CK2096 [1,0,0,0,0,0|1,0,0]=2 111 B9R1.2 NC1=CC=CC(C=O)=N1 D70565 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.2 NC1=CC=CC(CF)=C1 32172 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.2 NNC1=CC(O)=NC=C1 W16830 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.2 O=C1C=C(CO)C=CN1 37365 [1,0,0,0,0,0|1,0,2]=4 115 B9R1.2 O=CC1=CC(Br)=NC=N1 D70857 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.2 O=CC1=CC=CC(=O)N1 N12900 [1,0,0,0,0,0|1,0,1]=3 117 B9R1.2 O=CC1=CC=NC(Cl)=N1 P10948 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.2 O=CC1=CN=CC(Cl)=N1 70892 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.2 O=CC1=C[N+]([O-])=CC=C1 O11007 [1,0,0,0,0,0|1,0,1]=3 120 B9R1.2 O=CC1=NC=CC(O)=C1 W18365 [1,0,0,0,0,0|1,0,0]=2 121 B9R1.2 O=CC1=NC=NC(O)=C1 82364 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.2 OCC1=CC(Cl)=CN=C1 26741 [1,0,0,0,0,0|2,0,1]=4 123 B9R1.2 OCC1=NC=CC(I)=C1 W18502 [1,0,0,0,0,0|2,0,1]=4 124 B9R1.2 OCC1=NC=CC(O)=C1 O10524 [1,0,0,0,0,0|1,0,1]=3 125 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [1,0,0,0,0,0|2,0,1]=4 128 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [1,0,0,0,0,0|2,0,1]=4 129 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [1,0,0,0,0,0|2,0,1]=4 130 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.6 N=C(N)C1=NC=CC=C1 71518 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.6 NC(=O)C1=CN=CN=C1 F13864 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.6 NC(=O)C1=CN=NC=C1 F14288 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.6 NC(=O)C1=NC=NC=C1 C74468 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.6 NC(=O)C1=NN=CC=C1 F30255 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.6 O=C(Cl)C1=NN=CC=C1 D93513 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.6 O=C([O-])C1=NC=CC=N1 65419 [1,0,0,0,0,0|2,0,1]=4 138 B9R1.6 O=[S@]([O-])C1=NC=CC=C1 AT11818 [1,0,0,0,0,0|2,0,1]=4 139 B11R1.21 CC(=O)C1=CC(=O)N(C)C=C1 90625 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.21 CC(=O)C1=CC(Br)=C(I)C=C1 C77271 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=N1 F53231 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.21 CC(=O)C1=CC(Cl)=C(N)C=C1 20733 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 C15500 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.21 CC(=O)C1=CC(I)=C(N)C=C1 21187 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 C73283 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 FD17092 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.21 CC(=O)C1=CC(N)=C(N)C=C1 D70632 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 T71038 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.21 CC(=O)C1=CC(O)=C(Br)C=C1 AB10068 [0,1,0,0,0,0|1,0,0]=2 150 B11R1.21 CC(=O)C1=CN(C)C(=O)C=C1 90627 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.21 CC(=O)C1=CN=C(C)C(C)=C1 D93974 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.21 CC(=O)C1=CN=C(Cl)C(C)=C1 C72016 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.21 CC(=O)C1=CN=C(N)C(C)=C1 D80389 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.21 CC1=C(Br)C=C(C(=O)O)N=C1 C71660 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.21 CC1=C(Br)C=CC(B(O)O)=C1 C74119 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 C76662 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.21 CC1=C(Cl)C=C(C(=O)O)N=C1 O11218 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.21 CC1=C(Cl)C=CC([C@H](C)O)=C1 W19076 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.21 CC1=C(F)C=C(C(=O)O)C=N1 C10557 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.21 CC1=C(F)C=CC(C(N)=O)=C1 A51175 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.21 CC1=C(O)C=C(B(O)O)C=C1 F16733 [0,1,0,0,0,0|1,0,1]=3 162 B11R1.21 CC1=C(O)C=CC(B(O)O)=C1 W17226 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.21 CC1=C(O)N=C(C(=O)O)C=C1 90209 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.21 CC1=C(S)C=CC([N+](=O)[O-])=C1 N16881 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.21 CC1=CC(C(=O)O)=CN=C1C D86774 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.21 CC1=CC(C(=O)O)=CNC1=O RB1153 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.21 CC1=CC(C(N)=O)=CN=C1C D93908 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.21 CC1=CC=C(C(=O)O)N=C1Br 87755 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.21 CC1=NC(C(=O)O)=CN=C1Cl 57161 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.21 CC1=NC=C(C(=O)O)C=C1N 38876 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.21 CN1C=C(C(N)=O)C=CC1=O C76234 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.21 CN1C=CC(C(N)=O)=CC1=O P10284 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.21 N=C(N)C1=CC(Br)=C(F)C=C1 BL001616 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.21 N=C(N)C1=CC(Cl)=C(Cl)C=C1 A12573 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.21 N=C(N)C1=CC(F)=C(F)C=C1 F21414 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.21 N=C(N)C1=CC(N)=C(N)C=C1 25512 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.21 N=C(N)C1=CC(N)=C(N)C=C1 P20972 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.21 NC(=O)C1=CC(F)=C(F)C=C1 D73480 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.21 NC(=O)C1=CC(O)=C(Br)C=C1 AC7242 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.21 NC(=O)C1=CC(O)=C(N)C=C1 Y11587 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.21 NC(=O)C1=CC=C(F)C(Br)=N1 D79819 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.21 NC(=O)C1=CN=C(Br)C(Cl)=C1 W18383 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.21 NC1=C(Br)C=NC(C(=O)O)=C1 P12943 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=N1 D83582 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.21 NC1=C(F)C=C(B(O)O)C=C1 D86713 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.21 NC1=C(I)C=CC(C(=O)O)=C1 S10893 [0,1,0,0,0,0|1,0,0]=2 187 B11R1.21 NC1=C(S)C=C([N+](=O)[O-])C=C1 S11317 [0,1,0,0,0,0|1,1,1]=4 188 B11R1.21 NC1=CC(C(=O)O)=CN=C1N C74383 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br 37237 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 F31188 [0,1,0,0,0,0|1,0,1]=3 191 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=N1 A51162 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=N1 P19208 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 D84788 [0,1,0,0,0,0|1,0,0]=2 194 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 CK2246 [0,1,0,0,0,0|1,0,0]=2 195 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=N1 22742 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=N1 22761 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 31381 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=N1 N13206 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 24357 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 P10667 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.21 O=C(O)C1=CNC(=O)C(O)=C1 AC2078 [0,1,0,0,0,0|1,0,0]=2 202 B11R1.21 O=[N+]([O-])C1=CC(I)=C(Br)C=C1 W18337 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.21 OB(O)C1=CC(Br)=C(F)C=C1 C11245 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.23 C#C[C@@H](O)C1=CC=CC(F)=C1 79796 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.23 CC1=CC(C(=O)NN)=CN=C1 79461 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 S10680 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11093 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11094 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11207 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y10647 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y10654 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y12450 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.23 CCC(=O)C1=CC(F)=CN=C1 D81551 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.23 CCC(=O)C1=CC=CC(Br)=N1 F50478 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.23 CCC(=O)C1=NC=CC(Cl)=C1 FD10573 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.23 CC[C@H](N)C1=CC=CC(O)=C1 Y14524 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.23 CNC(=O)C1=CC(Br)=CN=C1 A12089 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.23 CNC(=O)C1=NC=CC(Br)=C1 D80651 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.23 COC(=O)C1=CC(=O)C=CN1 C77360 [0,1,0,0,0,0|1,0,1]=3 220 B11R1.23 COC(=O)C1=CC(Br)=NC=N1 C71735 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.23 COC(=O)C1=CC(F)=NC=C1 C10485 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.23 COC(=O)C1=CN=CC(Br)=N1 25757 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.23 COC(=O)C1=NC(=O)NC=C1 C77281 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.23 COC(=O)C1=NC(C)=NC=C1 90607 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.23 COC(=O)C1=NC(N)=CC=N1 AT18258 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.23 COC(=O)C1=NC(N)=NC=C1 H10331 [0,1,0,0,0,0|3,0,0]=4 227 B11R1.23 COC(=O)C1=NC=NC(C)=C1 P11578 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.23 COC(=O)C1=NC=NC(N)=C1 39272 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.23 COC(=O)C1=NN=CC(C)=C1 F30429 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 Y10361 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.23 NNC(=O)C1=CC=CC(=O)N1 C77301 [0,1,0,0,0,0|2,0,1]=4 232 B11R1.23 NNC(=O)C1=NC(N)=CC=C1 F13874 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.23 NNC(=O)C1=NC=CC(Cl)=C1 F19685 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 I11040 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 I11042 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 N11209 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 Y10525 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 F16952 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 I11003 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 Y10108 [0,1,0,0,0,0|2,0,1]=4 241 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 Y10643 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 F16917 [0,1,0,0,0,0|2,0,1]=4 243 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 N11105 [0,1,0,0,0,0|2,0,1]=4 244 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 Y10686 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 Y10867 [0,1,0,0,0,0|2,0,1]=4 246 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 Y10947 [0,1,0,0,0,0|1,0,1]=3 247 B11R1.23 O=C(CBr)C1=CC(Cl)=NC=C1 80119 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.23 O=C(CCl)C1=NC=CC(Cl)=C1 78962 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.23 O=C(CO)C1=CC=CC(Cl)=C1 AC6589 [0,1,0,0,0,0|1,0,0]=2 250 B11R1.23 O=CC(=O)C1=CC=CC(Cl)=C1 N16981 [0,1,0,0,0,0|1,0,1]=3 251 B11R1.23 OC[C@H](Cl)C1=CC=CC(Cl)=C1 58254 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 58256 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.74 CC(=O)C1=CC(C)=CC(Br)=C1 CL9440 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.74 CC(=O)C1=CC(Cl)=NC(C)=C1 90620 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.74 CC(=O)C1=CC(Cl)=NC(Cl)=C1 72212 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.74 CC(=O)C1=CC(I)=CC(Br)=C1 D93344 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.74 CC(=O)C1=CC(O)=CC(C)=C1 98263 [0,1,0,0,0,0|1,0,0]=2 258 B11R1.74 CC(=O)C1=NC(C)=CC(C)=C1 N10847 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.74 CC1=CC(Br)=CC(C(=O)O)=N1 D95055 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=N1 90621 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 85554 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.74 CC1=CC(C(=O)O)=CC(N)=C1 34945 [0,1,0,0,0,0|1,0,0]=2 263 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 96460 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 C73547 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.74 CC1=CC(I)=CC(C(=O)O)=C1 C77507 [0,1,0,0,0,0|1,0,0]=2 266 B11R1.74 CC1=CC([N+](=O)[O-])=CC(O)=C1 29785 [0,1,0,0,0,0|1,0,1]=3 267 B11R1.74 CC1=NC(C(=O)O)=CC(=O)N1 75580 [0,1,0,0,0,0|2,0,1]=4 268 B11R1.74 CC1=NC(Cl)=NC(C(=O)O)=C1 W15432 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.74 N=C(N)C1=CC(F)=CC(F)=C1 BL002354 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.74 NC(=O)C1=CC(Cl)=CC(Cl)=N1 D78983 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.74 NC1=CC(C(=O)O)=CC(Cl)=N1 Y14716 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.74 NC1=CC(N)=CC([N+](=O)[O-])=C1 C75359 [0,1,0,0,0,0|2,0,1]=4 273 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=N1 O11188 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.74 O=C(O)C1=CC(Br)=NC(F)=C1 70340 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.74 O=C(O)C1=CC(Cl)=CC(Br)=N1 C71247 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.74 O=C(O)C1=CC(Cl)=NC(O)=C1 RB1152 [0,1,0,0,0,0|1,0,0]=2 277 B11R1.74 O=C(O)C1=CC(O)=CC(Br)=N1 F53706 [0,1,0,0,0,0|1,0,0]=2 278 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=N1 F19693 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.74 O=[N+]([O-])C1=CC(F)=CC(O)=C1 61010 [0,1,0,0,0,0|1,0,1]=3 280 B11R1.74 O=[N+]([O-])C1=CC(I)=CC(Br)=C1 75185 [0,1,0,0,0,0|2,0,1]=4 281 B11R1.74 O=[N+]([O-])C1=CC(I)=CC(Cl)=C1 C71906 [0,1,0,0,0,0|2,0,1]=4 282 B11R1.74 O=[N+]([O-])C1=CC(I)=CC(I)=C1 N11815 [0,1,0,0,0,0|2,0,1]=4 283 B11R1.74 OB(O)C1=CC(Cl)=CC(O)=C1 N12674 [0,1,0,0,0,0|1,0,1]=3 284 B11R1.74 OB(O)C1=CC(F)=CC(O)=C1 86196 [0,1,0,0,0,0|1,0,1]=3 285 B11R1.155 CC(C)(O)C1=CC=CC(O)=C1 AC1663 [0,1,0,0,0,0|1,0,1]=3 286 B11R1.155 CC1=CC(S(=O)(=O)O)=CN=C1 C10904 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.155 CS(=O)(=O)C1=CC(O)=CC=C1 A12065 [0,1,0,0,0,0|1,0,1]=3 288 B11R1.155 CS(=O)(=O)C1=CC=CC(Cl)=C1 AC1312 [0,1,0,0,0,0|2,0,1]=4 289 B11R1.155 NS(=O)(=O)C1=CC(O)=CC=C1 AB10153 [0,1,0,0,0,0|1,0,1]=3 290 B11R1.155 NS(=O)(=O)C1=CC=CC(I)=C1 D85694 [0,1,0,0,0,0|2,0,1]=4 291 B11R1.155 O=S(=O)(F)C1=CC=CC(Br)=C1 F53144 [0,1,0,0,0,0|2,0,1]=4 292 B11R1.155 O=S(=O)(O)C1=CC=CC(Cl)=C1 A12252 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.155 O=S(=O)(O)C1=CC=CC(I)=C1 AR3554 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.159 CC(=O)C1=C(N)C(C)=CC=C1 W18414 [0,1,0,0,0,0|2,0,0]=3 295 B11R1.159 CC(=O)C1=C(N)C(Cl)=NC=C1 F53540 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.159 CC(=O)C1=C(N)C(O)=CC=C1 24067 [0,1,0,0,0,0|1,0,0]=2 297 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 O10249 [0,1,0,0,0,0|1,0,0]=2 298 B11R1.159 CC(=O)C1=CC=CC(Br)=C1C CL9266 [0,1,0,0,0,0|2,0,0]=3 299 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1N 51210 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.159 CC(=O)C1=CC=CC(F)=C1Br C73097 [0,1,0,0,0,0|2,0,0]=3 301 B11R1.159 CC(=O)C1=CC=CC(N)=C1F C72091 [0,1,0,0,0,0|2,0,0]=3 302 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O Y10130 [0,1,0,0,0,0|2,0,0]=3 303 B11R1.159 CC1=C(Br)C=NC=C1C(=O)O 82203 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.159 CC1=C(C(=O)O)N=CN=C1Cl 70443 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.159 CC1=C(C)C(C(=O)O)=NC=N1 72793 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.159 CC1=C(N)C(C(=O)O)=NC=C1 D83392 [0,1,0,0,0,0|2,0,0]=3 307 B11R1.159 CC1=NC=CC(C(=O)O)=C1N C90386 [0,1,0,0,0,0|2,0,0]=3 308 B11R1.159 CN1C(=O)C=CC=C1C(=O)O 26241 [0,1,0,0,0,0|1,0,1]=3 309 B11R1.159 C[C@H](O)C1=CC=CC(Br)=C1F 33965 [0,1,0,0,0,0|2,0,1]=4 310 B11R1.159 N=C(N)C1=CC=CC(Cl)=C1Cl 71884 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.159 NC(=O)C1=C(Cl)C(Cl)=CC=N1 58503 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.159 NC(=O)C1=C(N)C(Cl)=NC=C1 C74761 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.159 NC(=O)C1=CC=CC(Br)=C1F 36237 [0,1,0,0,0,0|2,0,0]=3 314 B11R1.159 NC(=O)C1=CC=CC(Br)=C1N 26259 [0,1,0,0,0,0|2,0,0]=3 315 B11R1.159 NC(=O)C1=CC=CC(F)=C1F A12174 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.159 NC(=O)C1=CC=CC(F)=C1N 35380 [0,1,0,0,0,0|2,0,0]=3 317 B11R1.159 NC(=O)C1=CC=CC(N)=C1F C72490 [0,1,0,0,0,0|2,0,0]=3 318 B11R1.159 NC(=O)C1=CN=CC(Cl)=C1Cl F20288 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.159 NC1=C(C(=O)O)C=CN=C1Cl 36261 [0,1,0,0,0,0|2,0,0]=3 320 B11R1.159 NC1=C(F)C(C(=O)O)=CC=N1 D83637 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.159 NC1=CC=CC([N+](=O)[O-])=C1Br CL9353 [0,1,0,0,0,0|2,0,1]=4 322 B11R1.159 NC1=CC=CC([N+](=O)[O-])=C1Cl 27932 [0,1,0,0,0,0|2,0,1]=4 323 B11R1.159 NC1=CC=CC([N+](=O)[O-])=C1O 36140 [0,1,0,0,0,0|2,0,1]=4 324 B11R1.159 O=C(O)C1=C(Br)C(Br)=NC=C1 W17140 [0,1,0,0,0,0|2,0,0]=3 325 B11R1.159 O=C(O)C1=C(Cl)C(Br)=NC=C1 30916 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.159 O=C(O)C1=CC=CC(=O)N1O 36408 [0,1,0,0,0,0|1,0,1]=3 327 B11R1.159 O=C(O)C1=CC=CC(=S)N1O W11623 [0,1,0,0,0,0|1,1,0]=3 328 B11R1.159 O=C(O)C1=CC=CC(O)=C1Cl CL9330 [0,1,0,0,0,0|0,0,0]=1 329 B11R1.159 O=C(O)C1=CC=NC(Cl)=C1Br C13624 [0,1,0,0,0,0|2,0,0]=3 330 B11R1.159 O=C(O)C1=CN=CC(Br)=C1I H10040 [0,1,0,0,0,0|2,0,0]=3 331 B11R1.159 O=C(O)C1=CN=CC(Br)=C1O Y10035 [0,1,0,0,0,0|2,0,0]=3 332 B11R1.159 O=C(O)C1=CNC=C(Br)C1=O O11379 [0,1,0,0,0,0|2,0,0]=3 333 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1F S10232 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.159 O=[N+]([O-])C1=CC=CC(Cl)=C1I 69691 [0,1,0,0,0,0|2,0,1]=4 335 B11R1.159 O=[N+]([O-])C1=CC=CC(O)=C1F 80824 [0,1,0,0,0,0|1,0,1]=3 336 B11R1.159 OB(O)C1=CC=CC(Br)=C1Cl N12989 [0,1,0,0,0,0|2,0,1]=4 337 B11R1.159 OB(O)C1=CC=CC(Cl)=C1O D71389 [0,1,0,0,0,0|2,0,1]=4 338 B11R1.159 OB(O)C1=CC=CC(F)=C1Br A51222 [0,1,0,0,0,0|2,0,1]=4 339 B11R1.167 CC(=O)C1=C(Br)C=CC(C)=C1 24153 [0,1,0,0,0,0|2,0,0]=3 340 B11R1.167 CC(=O)C1=C(Br)C=CC(F)=N1 33205 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.167 CC(=O)C1=C(Br)C=CC(O)=C1 72605 [0,1,0,0,0,0|1,0,0]=2 342 B11R1.167 CC(=O)C1=C(Br)C=NC(Cl)=C1 79385 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.167 CC(=O)C1=C(C)C=CC(O)=C1 N14343 [0,1,0,0,0,0|1,0,0]=2 344 B11R1.167 CC(=O)C1=C(Cl)C=CC(N)=C1 AC8788 [0,1,0,0,0,0|2,0,0]=3 345 B11R1.167 CC(=O)C1=C(Cl)C=CC(O)=C1 98261 [0,1,0,0,0,0|1,0,0]=2 346 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 52903 [0,1,0,0,0,0|2,0,0]=3 347 B11R1.167 CC(=O)C1=CC(Br)=CN=C1C C72029 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl D82211 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.167 CC(C)C1=C(O)C=CC(O)=C1 S10162 [0,1,0,0,0,0|2,0,1]=4 350 B11R1.167 CC1=C(C(=O)O)C=C(N)C=N1 D94837 [0,1,0,0,0,0|2,0,0]=3 351 B11R1.167 CC1=C(C(=O)O)N=C(Br)C=C1 P16139 [0,1,0,0,0,0|2,0,0]=3 352 B11R1.167 CC1=CC(B(O)O)=C(O)C=C1 F16104 [0,1,0,0,0,0|2,0,1]=4 353 B11R1.167 CC1=CC(C(=O)O)=C(C)C=N1 P18651 [0,1,0,0,0,0|2,0,0]=3 354 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=N1 C71246 [0,1,0,0,0,0|2,0,0]=3 355 B11R1.167 CC1=CC(C(=O)O)=C(F)C=N1 W16972 [0,1,0,0,0,0|2,0,0]=3 356 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 37636 [0,1,0,0,0,0|2,0,0]=3 357 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 C76925 [0,1,0,0,0,0|2,0,0]=3 358 B11R1.167 CC1=CC(C(=O)O)=C(N)N=C1 C75497 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.167 CC1=CC=C(C)C(C(=O)O)=N1 O10927 [0,1,0,0,0,0|2,0,0]=3 360 B11R1.167 CC1=CC=C(N)C(C(=O)O)=N1 68795 [0,1,0,0,0,0|2,0,0]=3 361 B11R1.167 CC1=CC=C(O)C(C(=O)O)=N1 C72632 [0,1,0,0,0,0|2,0,0]=3 362 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 36485 [0,1,0,0,0,0|3,0,0]=4 363 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=C1 26345 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.167 CC1=CN=C(F)C(C(=O)O)=C1 C71175 [0,1,0,0,0,0|2,0,0]=3 365 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=C1 Y10194 [0,1,0,0,0,0|2,0,0]=3 366 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=N1 66252 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=C1 P18650 [0,1,0,0,0,0|2,0,0]=3 368 B11R1.167 CC1=NC=C(Cl)C=C1C(=O)O I11983 [0,1,0,0,0,0|2,0,0]=3 369 B11R1.167 CC1=NNC(=O)C(C(=O)O)=C1 94812 [0,1,0,0,0,0|3,0,0]=4 370 B11R1.167 CN(C)C1=C(I)C=CC(O)=C1 C71961 [0,1,0,0,0,0|3,0,0]=4 371 B11R1.167 CN1C=CC(=O)C=C1C(=O)O W19341 [0,1,0,0,0,0|1,0,1]=3 372 B11R1.167 C[C@H](O)C1=C(I)C=CC(F)=C1 C91309 [0,1,0,0,0,0|2,0,1]=4 373 B11R1.167 N=C(N)C1=C(F)C=CC(Br)=C1 D83462 [0,1,0,0,0,0|3,0,0]=4 374 B11R1.167 N=C(N)C1=C(F)C=CC(Cl)=C1 C90520 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.167 NC(=O)C1=C(N)C=CC(Br)=N1 F30972 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.167 NC(=O)C1=CC(Br)=NC=C1F C73428 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.167 NC(=O)C1=CC(Cl)=NC=C1N D79795 [0,1,0,0,0,0|3,0,0]=4 378 B11R1.167 NC(=O)C1=CC(F)=CNC1=O D83259 [0,1,0,0,0,0|3,0,0]=4 379 B11R1.167 NC1=C(C(=O)O)N=C(Br)C=C1 F31145 [0,1,0,0,0,0|2,0,0]=3 380 B11R1.167 NC1=C(C(=O)O)N=C(Cl)N=C1 W17978 [0,1,0,0,0,0|3,0,0]=4 381 B11R1.167 NC1=C(C(=O)O)N=C(I)C=N1 75748 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.167 NC1=C([N+](=O)[O-])C=C(O)C=N1 P20822 [0,1,0,0,0,0|2,0,1]=4 383 B11R1.167 NC1=CC(C(=O)O)=C(N)C=C1 F52721 [0,1,0,0,0,0|1,0,0]=2 384 B11R1.167 NC1=CN=C(Cl)C(C(=O)O)=C1 37564 [0,1,0,0,0,0|2,0,0]=3 385 B11R1.167 NC1=CN=C(F)C=C1C(=O)O 71434 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.167 NC1=NC(C(=O)O)=C(Br)C=C1 F31274 [0,1,0,0,0,0|2,0,0]=3 387 B11R1.167 NC1=NC(C(=O)O)=C(Br)C=N1 C77121 [0,1,0,0,0,0|3,0,0]=4 388 B11R1.167 NC1=NC(C(=O)O)=C(Cl)C=N1 C15823 [0,1,0,0,0,0|3,0,0]=4 389 B11R1.167 NC1=NC(C(=O)O)=C(Cl)C=N1 FD13030 [0,1,0,0,0,0|3,0,0]=4 390 B11R1.167 NC1=NC=C(F)C=C1C(=O)O P15966 [0,1,0,0,0,0|2,0,0]=3 391 B11R1.167 O=C(Cl)C1=C(O)C=CC(Cl)=C1 W16064 [0,1,0,0,0,0|2,0,0]=3 392 B11R1.167 O=C(O)C1=C(Br)C=CC(F)=N1 80162 [0,1,0,0,0,0|2,0,0]=3 393 B11R1.167 O=C(O)C1=C(Br)C=NC(F)=C1 F31180 [0,1,0,0,0,0|2,0,0]=3 394 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=N1 O10988 [0,1,0,0,0,0|1,0,0]=2 395 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=N1 85645 [0,1,0,0,0,0|2,0,0]=3 396 B11R1.167 O=C(O)C1=C(I)C=CC(O)=C1 69861 [0,1,0,0,0,0|0,0,0]=1 397 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=N1 26690 [0,1,0,0,0,0|2,0,0]=3 398 B11R1.167 O=C(O)C1=C(O)N=CC(Br)=N1 C10999 [0,1,0,0,0,0|3,0,0]=4 399 B11R1.167 O=C(O)C1=CC(Br)=NC=C1Cl 22950 [0,1,0,0,0,0|2,0,0]=3 400 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1O A10724 [0,1,0,0,0,0|2,0,0]=3 401 B11R1.167 O=C(O)C1=CC(F)=CN=C1Br 24198 [0,1,0,0,0,0|2,0,0]=3 402 B11R1.167 O=C(O)C1=CC(F)=CN=C1F AT10057 [0,1,0,0,0,0|2,0,0]=3 403 B11R1.167 O=C(O)C1=CC(F)=CN=C1O A12916 [0,1,0,0,0,0|2,0,0]=3 404 B11R1.167 O=C(O)C1=CC(O)=CN=C1Cl F13413 [0,1,0,0,0,0|1,0,0]=2 405 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Br 36554 [0,1,0,0,0,0|3,0,0]=4 406 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Cl N13216 [0,1,0,0,0,0|3,0,0]=4 407 B11R1.167 O=C1C=C(C(=O)O)C(Br)=CN1 54617 [0,1,0,0,0,0|1,0,1]=3 408 B11R1.167 OB(O)C1=C(Cl)C=CC(Br)=C1 F11380 [0,1,0,0,0,0|2,0,1]=4 409 B11R1.167 OB(O)C1=C(Cl)C=CC(O)=C1 C16692 [0,1,0,0,0,0|1,0,1]=3 410 B11R1.167 OB(O)C1=C(F)C=CC(O)=C1 N12235 [0,1,0,0,0,0|1,0,1]=3 411 B11R1.167 OB(O)C1=C(F)C=NC(O)=C1 C14776 [0,1,0,0,0,0|2,0,1]=4 412 B11R1.167 OC1=CC(C(F)F)=C(Br)C=C1 A11714 [0,1,0,0,0,0|2,0,1]=4 413 B11R1.266 C#CC1=CC=CC(B(O)O)=C1 38142 [0,1,0,0,0,0|2,0,1]=4 414 B11R1.266 C=CC1=CC=CC(C(=O)O)=C1 F16168 [0,1,0,0,0,0|1,0,0]=2 415 B11R1.266 CC(=O)C1=CC(C#N)=NC=C1 29163 [0,1,0,0,0,0|3,0,0]=4 416 B11R1.266 CC(=O)C1=NC(C#N)=CC=C1 C73010 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.266 CC(=O)C1=NC(CO)=CC=C1 58596 [0,1,0,0,0,0|2,0,0]=3 418 B11R1.266 CCC1=CC(C(=O)O)=NC=C1 FD10613 [0,1,0,0,0,0|2,0,0]=3 419 B11R1.266 CCC1=CC=CC(B(O)O)=C1 35669 [0,1,0,0,0,0|2,0,1]=4 420 B11R1.266 CCC1=CC=CC(C(=O)O)=C1 C13682 [0,1,0,0,0,0|1,0,0]=2 421 B11R1.266 CCC1=CC=CC([N+](=O)[O-])=C1 C76351 [0,1,0,0,0,0|2,0,1]=4 422 B11R1.266 CNC1=CC=CC(C(=O)O)=N1 O11509 [0,1,0,0,0,0|2,0,0]=3 423 B11R1.266 CNC1=CC=CC([N+](=O)[O-])=C1 21307 [0,1,0,0,0,0|2,0,1]=4 424 B11R1.266 COC1=CC(C(=N)N)=NC=C1 67981 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.266 COC1=CC(C(=O)O)=CN=N1 P13867 [0,1,0,0,0,0|2,0,0]=3 426 B11R1.266 COC1=CC(C(=O)O)=NC=N1 P10129 [0,1,0,0,0,0|2,0,0]=3 427 B11R1.266 COC1=CC(C(C)=O)=NC=C1 52385 [0,1,0,0,0,0|2,0,0]=3 428 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 Y11422 [0,1,0,0,0,0|2,0,1]=4 429 B11R1.266 COC1=CC=CC(C(N)=O)=N1 C77359 [0,1,0,0,0,0|2,0,0]=3 430 B11R1.266 COC1=CC=NC(C(C)=O)=N1 D83386 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.266 COC1=CN=CC(C(=O)O)=N1 26232 [0,1,0,0,0,0|2,0,0]=3 432 B11R1.266 COC1=NC(B(O)O)=CC=C1 F16242 [0,1,0,0,0,0|2,0,1]=4 433 B11R1.266 COC1=NC=CC(C(=O)O)=N1 C76423 [0,1,0,0,0,0|2,0,0]=3 434 B11R1.266 COC1=NC=CC(C(C)=O)=C1 29192 [0,1,0,0,0,0|2,0,0]=3 435 B11R1.266 COC1=NC=CC(C(C)=O)=N1 D85888 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.266 CSC1=NC(C(=O)O)=CC=N1 24986 [0,1,0,0,0,0|2,1,0]=4 437 B11R1.266 N#CC1=CC=CC(C(=O)O)=N1 O11586 [0,1,0,0,0,0|2,0,0]=3 438 B11R1.266 N#CC1=CC=CC(C(N)=O)=C1 C77669 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.266 N#CC1=CC=CC(C(N)=O)=N1 A10044 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.266 N#CC1=NC=CC(C(=O)O)=N1 AT19519 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.266 NC(=O)C1=CC(CO)=CC=C1 W12789 [0,1,0,0,0,0|1,0,0]=2 442 B11R1.266 NC(=O)C1=NC(CO)=CC=C1 35878 [0,1,0,0,0,0|2,0,0]=3 443 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 AB9436 [0,1,0,0,0,0|0,0,0]=1 444 B11R1.266 O=C(O)C1=CC(CO)=NC=C1 A10630 [0,1,0,0,0,0|1,0,0]=2 445 B11R1.266 O=CC1=CC=CC(C(=O)O)=N1 N13223 [0,1,0,0,0,0|1,0,1]=3 446 B11R1.266 O=CC1=NC=CC(C(=O)O)=C1 36339 [0,1,0,0,0,0|1,0,1]=3 447 B11R1.266 OCC1=CN=CC(B(O)O)=C1 S11021 [0,1,0,0,0,0|2,0,1]=4 448 B9R0.55 O=C(O)\C=C\CCC(=O)O S11920 [0,0,1,0,0,0|1,0,2]=4 449 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [0,0,0,0,1,0|3,0,0]=4 450 B9R1.35 CC(=O)C1=CSC(Br)=C1 25953 [0,0,0,0,1,0|3,0,0]=4 451 B9R1.35 CC(=O)C1=CSC(Cl)=C1 37629 [0,0,0,0,1,0|3,0,0]=4 452 B9R1.35 CC1=CC(C(=O)O)=CS1 BL001054 [0,0,0,0,1,0|2,0,0]=3 453 B9R1.35 CC1=CC(C(=O)O)=NS1 AT21128 [0,0,0,0,1,0|3,0,0]=4 454 B9R1.35 CC1=CNC(C(=O)O)=N1 C16255 [0,0,0,0,1,0|3,0,0]=4 455 B9R1.35 CC1=CNC(C(=O)O)=N1 Y11423 [0,0,0,0,1,0|3,0,0]=4 456 B9R1.35 CC1=NC=C(C(=O)O)O1 F13461 [0,0,0,0,1,0|3,0,0]=4 457 B9R1.35 CN1C=CC(C(=O)O)=C1 26121 [0,0,0,0,1,0|2,0,0]=3 458 B9R1.35 NC(=O)C1=CC(Br)=CN1 C73743 [0,0,0,0,1,0|3,0,0]=4 459 B9R1.35 NC(=O)C1=CC(Br)=CO1 C77306 [0,0,0,0,1,0|3,0,0]=4 460 B9R1.35 NC(=O)C1=CC=C(Br)N1 38755 [0,0,0,0,1,0|3,0,0]=4 461 B9R1.35 NC(=O)C1=CC=C(N)S1 C90315 [0,0,0,0,1,0|3,0,0]=4 462 B9R1.35 NC1=CNC(C(=O)O)=C1 F14489 [0,0,0,0,1,0|2,0,0]=3 463 B9R1.35 NC1=CNC(C(=O)O)=N1 D94530 [0,0,0,0,1,0|3,0,0]=4 464 B9R1.35 NC1=NC(C(=O)O)=CN1 F14481 [0,0,0,0,1,0|3,0,0]=4 465 B9R1.35 NC1=NC(C(=O)O)=CO1 38367 [0,0,0,0,1,0|3,0,0]=4 466 B9R1.35 O=C(O)C1=CC(Br)=CO1 25418 [0,0,0,0,1,0|2,0,0]=3 467 B9R1.35 O=C(O)C1=CC(Br)=NN1 D80317 [0,0,0,0,1,0|3,0,0]=4 468 B9R1.35 O=C(O)C1=CC(Br)=NO1 69280 [0,0,0,0,1,0|3,0,0]=4 469 B9R1.35 O=C(O)C1=CC(Cl)=CS1 24303 [0,0,0,0,1,0|2,0,0]=3 470 B9R1.35 O=C(O)C1=CC(F)=CS1 C10503 [0,0,0,0,1,0|2,0,0]=3 471 B9R1.35 O=C(O)C1=CC(I)=CN1 86089 [0,0,0,0,1,0|2,0,0]=3 472 B9R1.35 O=C(O)C1=CC=C(F)S1 83084 [0,0,0,0,1,0|2,0,0]=3 473 B9R1.35 O=C(O)C1=CC=C(I)S1 C75812 [0,0,0,0,1,0|2,0,0]=3 474 B9R1.35 O=C(O)C1=CNC(Cl)=C1 72647 [0,0,0,0,1,0|2,0,0]=3 475 B9R1.35 O=C(O)C1=COC(Cl)=N1 Y10043 [0,0,0,0,1,0|3,0,0]=4 476 B9R1.35 O=C(O)C1=COC(I)=N1 D95450 [0,0,0,0,1,0|3,0,0]=4 477 B9R1.35 O=C(O)C1=CSC(Cl)=C1 24618 [0,0,0,0,1,0|2,0,0]=3 478 B9R1.35 O=C(O)C1=NC=C(Br)S1 FD9045 [0,0,0,0,1,0|3,0,0]=4 479 B9R1.35 O=C(O)C1=NC=C(Cl)S1 P10902 [0,0,0,0,1,0|3,0,0]=4 480 B9R1.35 O=C(O)C1=NNC(Cl)=C1 20415 [0,0,0,0,1,0|3,0,0]=4 481 B9R1.35 O=C(O)C1=NNC(O)=C1 C77021 [0,0,0,0,1,0|2,0,0]=3 482 B9R1.35 O=C(O)C1=NOC(Cl)=C1 D80865 [0,0,0,0,1,0|3,0,0]=4 483 B9R1.41 CC(=O)C1=CNC=C1C W17613 [0,0,0,0,1,0|3,0,0]=4 484 B9R1.41 CC1=C(C(=O)O)C=CN1 W10234 [0,0,0,0,1,0|2,0,0]=3 485 B9R1.41 NC(=O)C1=CC=CN1N P15055 [0,0,0,0,1,0|3,0,0]=4 486 B9R1.41 O=C(O)C1=C(Br)C=CN1 C10492 [0,0,0,0,1,0|2,0,0]=3 487 B9R1.41 O=C(O)C1=C(Br)C=CO1 71103 [0,0,0,0,1,0|2,0,0]=3 488 B9R1.41 O=C(O)C1=C(Br)N=CS1 88253 [0,0,0,0,1,0|3,0,0]=4 489 B9R1.41 O=C(O)C1=C(Br)NC=N1 D86912 [0,0,0,0,1,0|3,0,0]=4 490 B9R1.41 O=C(O)C1=C(Cl)C=NN1 W10253 [0,0,0,0,1,0|3,0,0]=4 491 B9R1.41 O=C(O)C1=C(Cl)C=NS1 S11450 [0,0,0,0,1,0|3,0,0]=4 492 B9R1.41 O=C(O)C1=C(Cl)OC=C1 W18500 [0,0,0,0,1,0|2,0,0]=3 493 B9R1.41 O=C(O)C1=C(Cl)SC=C1 27789 [0,0,0,0,1,0|2,0,0]=3 494 B9R1.41 O=C(O)C1=C(F)C=CN1 91531 [0,0,0,0,1,0|2,0,0]=3 495 B9R1.41 O=C(O)C1=C(I)SC=C1 A11648 [0,0,0,0,1,0|2,0,0]=3 496 B9R1.41 O=C(O)C1=C(O)C=CS1 Y10188 [0,0,0,0,1,0|1,0,0]=2 497 B9R1.41 O=C(O)C1=NNC=C1Cl 24966 [0,0,0,0,1,0|3,0,0]=4 498 B9R1.41 O=C(O)C1=NNC=C1F C91234 [0,0,0,0,1,0|3,0,0]=4 499 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 36520 [0,0,0,0,0,1|3,0,0]=4 500 B11R1.157 CC(=O)NC1=NC=CC(N)=C1 FD10602 [0,0,0,0,0,1|3,0,0]=4 501 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 Y11318 [0,0,0,0,0,1|2,0,0]=3 502 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 C75148 [0,0,0,0,0,1|2,0,0]=3 503 B11R1.157 CC(C)OC1=CC(O)=CC=C1 C13518 [0,0,0,0,0,1|2,0,1]=4 504 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 D80704 [0,0,0,0,0,1|2,0,0]=3 505 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 P17359 [0,0,0,0,0,1|2,0,0]=3 506 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 S10096 [0,0,0,0,0,1|2,0,0]=3 507 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 26369 [0,0,0,0,0,1|2,0,0]=3 508 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 36391 [0,0,0,0,0,1|2,0,1]=4 509 B11R1.157 CN(C)CC1=CC=CC(O)=C1 C75839 [0,0,0,0,0,1|3,0,0]=4 510 B11R1.157 C[C@H](O)CC1=CC=CC(Cl)=C1 W16410 [0,0,0,0,0,1|2,0,1]=4 511 B11R1.157 N=C(N)NC1=CC=CC(Br)=C1 C16548 [0,0,0,0,0,1|3,0,0]=4 512 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 C72191 [0,0,0,0,0,1|2,0,0]=3 513 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 57489 [0,0,0,0,0,1|2,0,0]=3 514 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 Y11285 [0,0,0,0,0,1|2,0,0]=3 515 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 39149 [0,0,0,0,0,1|2,0,0]=3 516 B11R1.157 O=C(O)CC1=CC=CC(Br)=N1 C71333 [0,0,0,0,0,1|2,0,0]=3 517 B11R1.157 O=C(O)CC1=CC=CC(Cl)=N1 F14480 [0,0,0,0,0,1|2,0,0]=3 518 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 P10854 [0,0,0,0,0,1|2,0,0]=3 519 B11R1.157 O=C(O)CC1=CN=CC(Cl)=N1 26805 [0,0,0,0,0,1|3,0,0]=4 520 B11R1.157 O=C(O)CC1=NC=CC(Br)=C1 C71755 [0,0,0,0,0,1|2,0,0]=3 521 B11R1.157 OC1=CC=CC(OC(F)F)=C1 CL8486 [0,0,0,0,0,1|2,0,1]=4 522 B8R1.2 NCC1=CC=CC=C1 RB3068 [2,0,0,0,0,0|1,0,1]=4 523 B8R1.2 O=CC1=NC=NC=C1 26359 [2,0,0,0,0,0|2,0,0]=4 524 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [2,0,0,0,0,0|2,0,0]=4 525 B8R1.4 NC1=CC(O)=CN=C1 24928 [2,0,0,0,0,0|2,0,0]=4 526 B8R1.4 NC1=CC(O)=CN=C1 26279 [2,0,0,0,0,0|2,0,0]=4 527 B8R1.4 OC1=CC(F)=NC=C1 26765 [2,0,0,0,0,0|2,0,0]=4 528 B8R1.4 OC1=NC=CC(F)=C1 22624 [2,0,0,0,0,0|2,0,0]=4 529 B10R1.2 CC1=C(I)C=CC=C1CO CL9687 [1,1,0,0,0,0|1,0,1]=4 530 B10R1.2 CC1=C(O)C=CC=C1C#N 26569 [1,1,0,0,0,0|1,0,1]=4 531 B10R1.2 CC1=CC=CC(CO)=C1Br 74396 [1,1,0,0,0,0|1,0,1]=4 532 B10R1.2 CC1=CC=CC(CO)=C1O F20046 [1,1,0,0,0,0|1,0,1]=4 533 B10R1.2 CC1=CC=NC(C=O)=C1Cl S10197 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.2 CCC1=CC=CC(O)=C1O C77203 [1,1,0,0,0,0|1,0,1]=4 535 B10R1.2 N#CC1=CC=CC(O)=C1Cl C10157 [1,1,0,0,0,0|1,0,1]=4 536 B10R1.2 N#CC1=CC=CC(O)=C1F 95628 [1,1,0,0,0,0|1,0,1]=4 537 B10R1.2 NC1=C(Br)C=CC=C1C=O 36406 [1,1,0,0,0,0|1,0,0]=3 538 B10R1.2 NC1=C(Br)C=NC=C1C=O C72169 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.2 NC1=C(C=O)C=CC=C1O D94436 [1,1,0,0,0,0|0,0,0]=2 540 B10R1.2 NC1=C(Cl)C=NC=C1C=O 98150 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.2 NC1=C(F)C=CC=C1CO W11419 [1,1,0,0,0,0|1,0,1]=4 542 B10R1.2 NCC1=CC=CC(O)=C1O S10740 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.2 O=CC1=C(F)C(Br)=NC=C1 BL009674 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.2 O=CC1=CC=CC(F)=C1I 34605 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.2 O=CC1=CC=NC(F)=C1Cl 91702 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.2 O=CC1=CN=CC(Br)=C1Cl 66142 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.2 O=CC1=CN=CC(Br)=C1O D82530 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.2 O=CC1=NC=CC(Cl)=C1Br P19340 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.2 OCC1=CC=CC(F)=C1Br 35519 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.2 OCC1=CC=CC(F)=C1Cl CL8694 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.2 OCC1=CC=CC(F)=C1I 79245 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.2 OCC1=CC=CC(I)=C1Br CL8691 [1,1,0,0,0,0|1,0,1]=4 553 B10R1.8 C#CC1=CC(O)=CC(O)=C1 W16293 [1,1,0,0,0,0|1,0,1]=4 554 B10R1.8 CC1=CC(Br)=CC(C=O)=N1 D78899 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.8 CC1=CC(Br)=CC(CO)=C1 52074 [1,1,0,0,0,0|1,0,1]=4 556 B10R1.8 CC1=CC(C=O)=CC(C)=N1 85556 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.8 CC1=CC(CO)=CC(N)=C1 35511 [1,1,0,0,0,0|1,0,1]=4 558 B10R1.8 CC1=CC(Cl)=CC(C=O)=C1 34582 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.8 CCC1=CC(C)=CC(O)=C1 D84187 [1,1,0,0,0,0|1,0,1]=4 560 B10R1.8 N#CC1=CC(Br)=CC(O)=C1 91757 [1,1,0,0,0,0|1,0,1]=4 561 B10R1.8 NC1=CC(CO)=CC(I)=C1 68577 [1,1,0,0,0,0|1,0,1]=4 562 B10R1.8 O=CC1=CC(Cl)=NC(Cl)=C1 C71441 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.8 O=CC1=CC(I)=CC(Br)=C1 CL9323 [1,1,0,0,0,0|1,0,0]=3 564 B10R1.8 O=CC1=CC(I)=CC(F)=C1 CL9234 [1,1,0,0,0,0|1,0,0]=3 565 B10R1.8 O=CC1=CC(I)=CC(I)=C1 N16985 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.8 OCC1=CC(Br)=CC(O)=C1 C14009 [1,1,0,0,0,0|0,0,1]=3 567 B10R1.8 OCC1=CC(I)=CC(I)=C1 C75498 [1,1,0,0,0,0|1,0,1]=4 568 B10R1.10 C=CCC1=CC=CC(O)=C1 AC1729 [1,1,0,0,0,0|1,0,0]=3 569 B10R1.10 CCNC1=CC=CC(O)=C1 T71675 [1,1,0,0,0,0|1,0,1]=4 570 B10R1.10 O=CCC1=CC=CC(Br)=C1 AB10311 [1,1,0,0,0,0|1,0,0]=3 571 B10R1.10 O=CCC1=CC=CC(F)=C1 W16826 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.30 CC1=C(C=O)C=C(Cl)C=C1 CK2094 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.30 CC1=C(C=O)C=C(I)C=C1 F20710 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.30 CC1=C(CO)C=C(Cl)C=C1 70915 [1,1,0,0,0,0|1,0,1]=4 575 B10R1.30 CC1=C(CO)C=C(I)C=C1 F20542 [1,1,0,0,0,0|1,0,1]=4 576 B10R1.30 CC1=CC(C=O)=C(I)C=C1 H10219 [1,1,0,0,0,0|1,0,0]=3 577 B10R1.30 CC1=CC(CO)=C(Br)C=C1 78891 [1,1,0,0,0,0|1,0,1]=4 578 B10R1.30 CC1=CC(CO)=C(O)C=C1 A11080 [1,1,0,0,0,0|1,0,1]=4 579 B10R1.30 CC1=CC=C(O)C(C=O)=N1 W11337 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.30 CC1=CN=C(Cl)C(C=O)=C1 81874 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.30 CC1=CNC(=O)C(C=O)=C1 O11471 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.30 CC1=NC(C=O)=C(F)C=C1 P17355 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.30 CC1=NC=C(Cl)C=C1C=O CL0290 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.30 CNC1=C(C)C=CC(O)=C1 C75943 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.30 COC1=C(N)C=CC(O)=C1 30482 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.30 N#CC1=C(O)C=CC(O)=C1 C75243 [1,1,0,0,0,0|1,0,1]=4 587 B10R1.30 NC1=C(C=O)C=C(F)C=C1 88468 [1,1,0,0,0,0|1,0,0]=3 588 B10R1.30 NC1=CC(CO)=C(Cl)C=C1 35510 [1,1,0,0,0,0|1,0,1]=4 589 B10R1.30 NC1=CN=C(Br)C=C1C=O P19339 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.30 O=CC1=C(Br)C=NC(Cl)=C1 P11217 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.30 O=CC1=C(Br)C=NC(O)=C1 F30966 [1,1,0,0,0,0|1,0,0]=3 592 B10R1.30 O=CC1=C(F)C=CC(Cl)=N1 C10107 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.30 O=CC1=C(I)C=CC(F)=C1 34607 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.30 O=CC1=CC(Br)=CNC1=O C71890 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.30 O=CC1=CC(Cl)=CN=C1Br 79175 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.30 O=CC1=CC(Cl)=NC=C1O 93891 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.30 O=CC1=CC(F)=CN=C1Cl 85374 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.30 OCC1=C(Cl)C=CC(O)=C1 C76883 [1,1,0,0,0,0|0,0,1]=3 599 B10R1.172 C#CC1=CC=CC(C=O)=C1 F21254 [1,1,0,0,0,0|1,0,0]=3 600 B10R1.172 C=CC1=CC=CC(C=O)=C1 C15241 [1,1,0,0,0,0|1,0,0]=3 601 B10R1.172 C=CC1=CC=CC(C=O)=N1 W15331 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.172 C=CC1=NC=CC(OC)=C1 52910 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.172 CCC1=CC=CC(C=O)=N1 87877 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.172 COC1=NC=CC(C=O)=N1 27203 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.172 N#CC1=CC(C=O)=CN=C1 P10440 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.172 N#CC1=CC(C=O)=NC=C1 FD10588 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.172 N#CC1=CC=CC(C=O)=N1 P10169 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.172 N#CC1=NC=CC(C=O)=C1 P10358 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.172 O=CC1=CC(CO)=CC=C1 N13346 [1,1,0,0,0,0|0,0,0]=2 610 B10R1.172 O=CC1=CC=CC(CF)=N1 C73928 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.172 O=CC1=NC(CO)=CC=C1 78596 [1,1,0,0,0,0|1,0,0]=3 612 B10R1.172 OCC1=CC=CC(CBr)=C1 23785 [1,1,0,0,0,0|1,0,1]=4 613 B10R1.176 C=CC1=CC(Cl)=C(Cl)C=C1 C15264 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.176 C=CC1=CC(F)=C(Cl)C=C1 S10073 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.176 C=CC1=CC(I)=C(O)C=C1 D94289 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.176 CC1=C(Br)C=C(C=O)N=C1 CS1689 [1,1,0,0,0,0|2,0,0]=4 617 B10R1.176 CC1=C(F)C=CC(C=O)=N1 P10585 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.176 CC1=C(O)C=C(C=O)C=C1 W16814 [1,1,0,0,0,0|0,0,0]=2 619 B10R1.176 CC1=C(O)C=CC(CO)=C1 C73536 [1,1,0,0,0,0|1,0,1]=4 620 B10R1.176 CC1=CC(C=O)=CN=C1Br 78107 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 O10732 [1,1,0,0,0,0|1,0,1]=4 622 B10R1.176 CN1C=C(C=O)C=CC1=O H11166 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.176 COC1=CC(O)=C(N)C=C1 20700 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.176 COC1=CC(O)=C(O)C=C1 F18177 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.176 N#CC1=CC(O)=C(Cl)C=C1 C75425 [1,1,0,0,0,0|1,0,1]=4 626 B10R1.176 N#CC1=CC(O)=C(I)C=C1 35341 [1,1,0,0,0,0|1,0,1]=4 627 B10R1.176 N#CC1=CC(O)=C(N)C=C1 35473 [1,1,0,0,0,0|1,0,1]=4 628 B10R1.176 NC1=C(F)C=C(CO)C=C1 74966 [1,1,0,0,0,0|1,0,1]=4 629 B10R1.176 NC1=C(O)C=CC(CO)=C1 Y13579 [1,1,0,0,0,0|1,0,1]=4 630 B10R1.176 NCC1=CC(O)=C(Cl)C=C1 Y11334 [1,1,0,0,0,0|1,0,1]=4 631 B10R1.176 NCC1=CC(O)=C(F)C=C1 D71055 [1,1,0,0,0,0|1,0,1]=4 632 B10R1.176 NCC1=CC(O)=C(O)C=C1 S11863 [1,1,0,0,0,0|1,0,1]=4 633 B10R1.176 O=CC1=CC(Cl)=C(O)N=C1 A12705 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.176 O=CC1=CC(F)=C(I)C=C1 23742 [1,1,0,0,0,0|1,0,0]=3 635 B10R1.176 O=CC1=CC(I)=C(F)C=C1 34606 [1,1,0,0,0,0|1,0,0]=3 636 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 34572 [1,1,0,0,0,0|0,0,0]=2 637 B10R1.176 O=CC1=CC(O)=C(I)C=C1 62940 [1,1,0,0,0,0|0,0,0]=2 638 B10R1.176 O=CC1=CC=C(Cl)C(Br)=N1 C14399 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.176 O=CC1=CN=C(Br)C(F)=C1 O11553 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.176 O=CC1=CN=C(Cl)C(Cl)=C1 97698 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.176 O=CC1=CN=C(Cl)C(F)=C1 C16801 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.176 O=CC1=NC(Cl)=C(Br)C=C1 32221 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.176 OC1=C(F)C=CC(CCl)=C1 D79295 [1,1,0,0,0,0|1,0,1]=4 644 B10R1.176 OCC1=CC(O)=C(F)C=C1 C77207 [1,1,0,0,0,0|0,0,1]=3 645 B10R1.13 C=C(C)C1=CC=C(I)C=C1 AC1339 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [1,1,0,0,0,0|1,0,0]=3 647 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [1,1,0,0,0,0|1,0,1]=4 650 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 97006 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 A11173 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.13 CC1=CCC(C(=O)O)=CC1 A12608 [1,1,0,0,0,0|0,0,2]=4 654 B10R1.13 CC1=CN=C(C(=O)O)N=C1 RB3298 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1272 [1,1,0,0,0,0|1,0,1]=4 656 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1278 [1,1,0,0,0,0|1,0,1]=4 657 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 25877 [1,1,0,0,0,0|1,0,1]=4 658 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 W16706 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.13 N=C(N)C1=CC=C(N)C=C1 56135 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.13 NC(=O)C1=CN=C(O)C=C1 C74893 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.13 NC(=O)C1=NC=C(N)C=C1 25630 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A11465 [1,1,0,0,0,0|0,0,1]=3 663 B10R1.13 NC1=CN=C(C(=O)O)N=C1 P10377 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.13 O=C(O)C1=CN=C(Br)N=C1 F11671 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.13 O=C(O)C1=CN=C(F)C=N1 70428 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.13 O=C(O)C1=NC=C(F)C=N1 38641 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [1,1,0,0,0,0|1,0,0]=3 668 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 P10335 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.13 O=C(O)C1=NN=C(O)C=C1 C73877 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.13 O=C1N=CC(C(=O)O)=CN1 P13001 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 31291 [1,1,0,0,0,0|1,0,1]=4 672 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 32646 [1,1,0,0,0,0|1,0,1]=4 673 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [1,1,0,0,0,0|1,0,0]=3 676 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [1,1,0,0,0,0|1,0,1]=4 677 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [1,1,0,0,0,0|1,0,1]=4 678 B10R1.15 COC(=O)C1=CN=NC=C1 23653 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.15 N=C(NN)C1=CC=CC=C1 D97377 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.15 NNC(=S)C1=CC=CC=C1 W10972 [1,1,0,0,0,0|1,1,0]=4 681 B10R1.15 O=C(CBr)C1=CN=CC=C1 D82267 [1,1,0,0,0,0|2,0,0]=4 682 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [1,1,0,0,0,0|1,0,0]=3 683 B10R1.15 O=C(NO)C1=CN=CC=C1 F17466 [1,1,0,0,0,0|1,0,0]=3 684 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [1,1,0,0,0,0|1,0,1]=4 685 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [1,1,0,0,0,0|1,0,1]=4 686 B10R1.15 O\N=C(/Cl)C1=NC=CC=C1 O12024 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.28 C[S@](=N)(=O)C1=CC=CC=C1 W16234 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.28 O=S(=O)(O)C1=CC=NC=C1 12268 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 80328 [1,1,0,0,0,0|2,0,0]=4 691 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 27067 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y14823 [1,1,0,0,0,0|2,0,0]=4 694 B10R1.61 CC(=O)C1=C(Cl)C=NC=C1 N12959 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.61 CC(=O)C1=C(O)C=NC=C1 27646 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.61 CC(=O)C1=CC=CN=C1F F31395 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.61 CC(=O)C1=CNC=CC1=O C74936 [1,1,0,0,0,0|2,0,0]=4 699 B10R1.61 CC(=O)C1=NC=CC=C1N 80156 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.61 CC1=C(C(=N)N)C=CC=C1 28690 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.61 CC1=C(C(=O)O)C=CN=N1 P11312 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.61 CC1=C(C(=O)O)C=NC=C1 83402 [1,1,0,0,0,0|1,0,0]=3 704 B10R1.61 CC1=C(C(N)=O)C=CN=C1 C74299 [1,1,0,0,0,0|2,0,0]=4 705 B10R1.61 CC1=C(C(N)=O)C=NC=C1 A10183 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.61 CC1=CC=NN=C1C(=O)O P10780 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.61 CC1=CN=CN=C1C(=O)O F52630 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 SC1257 [1,1,0,0,0,0|1,0,1]=4 709 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1230 [1,1,0,0,0,0|1,0,1]=4 710 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1233 [1,1,0,0,0,0|1,0,1]=4 711 B10R1.61 C[C@H](O)C1=C(O)C=CC=C1 W16007 [1,1,0,0,0,0|1,0,1]=4 712 B10R1.61 N=C(N)C1=C(Cl)C=CC=C1 71514 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.61 NC(=O)C1=C(O)C=NC=C1 CL0151 [1,1,0,0,0,0|2,0,0]=4 714 B10R1.61 NC1=CN=CN=C1C(=O)O 20214 [1,1,0,0,0,0|2,0,0]=4 715 B10R1.61 O=C(O)C1=C(Br)C=NC=N1 84369 [1,1,0,0,0,0|2,0,0]=4 716 B10R1.61 O=C(O)C1=C(Cl)C=NC=N1 P10759 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.61 O=C(O)C1=C(F)C=CN=C1 W18401 [1,1,0,0,0,0|1,0,0]=3 718 B10R1.61 O=C(O)C1=CC=NN=C1Cl P11658 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.61 O=C(O)C1=NC=CN=C1Br 84139 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.61 O=C(O)C1=NC=CN=C1I 26634 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.14 COC(=O)C1=CC(C)=CN1 F53538 [0,1,0,0,1,0|2,0,0]=4 722 B10R1.14 COC(=O)C1=CC(Cl)=CS1 P12968 [0,1,0,0,1,0|2,0,0]=4 723 B10R1.14 COC(=O)C1=CC(F)=CN1 68046 [0,1,0,0,1,0|2,0,0]=4 724 B10R1.14 COC(=O)C1=CC(F)=CS1 F21319 [0,1,0,0,1,0|2,0,0]=4 725 B10R1.14 COC(=O)C1=CC(I)=CN1 80242 [0,1,0,0,1,0|2,0,0]=4 726 B10R1.14 COC(=O)C1=CC(O)=NN1 F30450 [0,1,0,0,1,0|2,0,0]=4 727 B10R1.14 COC(=O)C1=CC=C(Cl)O1 76672 [0,1,0,0,1,0|2,0,0]=4 728 B10R1.14 COC(=O)C1=CC=C(Cl)S1 O11960 [0,1,0,0,1,0|2,0,0]=4 729 B10R1.14 COC(=O)C1=CC=C(I)S1 C76903 [0,1,0,0,1,0|2,0,0]=4 730 B10R1.14 COC(=O)C1=CC=C(N)N1 F14198 [0,1,0,0,1,0|2,0,0]=4 731 B10R1.14 COC(=O)C1=CN(C)C=C1 W18273 [0,1,0,0,1,0|2,0,0]=4 732 B10R1.14 COC(=O)C1=CNC(Br)=C1 30522 [0,1,0,0,1,0|2,0,0]=4 733 B10R1.14 COC(=O)C1=COC(C)=C1 C15656 [0,1,0,0,1,0|2,0,0]=4 734 B10R1.14 COC(=O)C1=CSC(N)=C1 W15215 [0,1,0,0,1,0|2,0,0]=4 735 B10R1.14 COC(=O)C1=NNC(O)=C1 64189 [0,1,0,0,1,0|2,0,0]=4 736 B10R1.31 COC1=CC=C(C(=O)O)S1 31392 [0,1,0,0,1,0|1,0,0]=3 737 B10R1.31 COC1=CN=C(C(=O)O)O1 C75184 [0,1,0,0,1,0|2,0,0]=4 738 B10R1.31 N#CC1=CC=C(C(=O)O)N1 C16499 [0,1,0,0,1,0|2,0,0]=4 739 B10R1.31 N#CC1=CC=C(C(=O)O)O1 N12973 [0,1,0,0,1,0|2,0,0]=4 740 B10R1.31 N#CC1=CC=C(C(=O)O)S1 89049 [0,1,0,0,1,0|2,0,0]=4 741 B10R1.31 N#CC1=COC(C(=O)O)=C1 C72484 [0,1,0,0,1,0|2,0,0]=4 742 B10R1.31 N#CC1=CSC(C(=O)O)=C1 76094 [0,1,0,0,1,0|2,0,0]=4 743 B10R1.31 O=C(O)C1=CC(CO)=NN1 C72595 [0,1,0,0,1,0|2,0,0]=4 744 B10R1.31 O=C(O)C1=CSC(CO)=N1 W17565 [0,1,0,0,1,0|2,0,0]=4 745 B10R1.31 O=CC1=CC(C(=O)O)=CO1 AT17491 [0,1,0,0,1,0|1,0,1]=4 746 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 36278 [0,1,0,0,1,0|2,0,0]=4 747 B10R1.58 CC1=C(C)NC(C(=O)O)=C1 F30544 [0,1,0,0,1,0|2,0,0]=4 748 B10R1.58 CC1=CC(C(=O)O)=CN1C 72960 [0,1,0,0,1,0|2,0,0]=4 749 B10R1.58 O=C(O)C1=CC(Br)=C(Cl)S1 C16067 [0,1,0,0,1,0|2,0,0]=4 750 B10R1.58 O=C(O)C1=CC(Cl)=C(Br)S1 C71923 [0,1,0,0,1,0|2,0,0]=4 751 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)N1 W17455 [0,1,0,0,1,0|2,0,0]=4 752 B10R1.59 CC1=C(C(=O)O)C=C(Br)S1 W11336 [0,1,0,0,1,0|2,0,0]=4 753 B10R1.59 CC1=CC(Br)=C(C(=O)O)S1 D95614 [0,1,0,0,1,0|2,0,0]=4 754 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 F52431 [0,1,0,0,1,0|2,0,0]=4 755 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 61000 [0,1,0,0,1,0|2,0,0]=4 756 B10R1.59 CN1C=C(Br)C=C1C(=O)O 26615 [0,1,0,0,1,0|2,0,0]=4 757 B10R1.59 CN1C=C(F)C=C1C(=O)O 73060 [0,1,0,0,1,0|2,0,0]=4 758 B10R1.59 CN1C=C(N)C=C1C(=O)O 84211 [0,1,0,0,1,0|2,0,0]=4 759 B10R1.59 O=C(O)C1=C(Br)C=C(Cl)S1 C10746 [0,1,0,0,1,0|2,0,0]=4 760 B10R1.59 O=C(O)C1=C(Cl)C=C(Br)S1 N12995 [0,1,0,0,1,0|2,0,0]=4 761 B10R1.59 O=C(O)C1=C(Cl)C=C(Cl)S1 F16141 [0,1,0,0,1,0|2,0,0]=4 762 B10R1.59 O=C(O)C1=C(Cl)SC(Br)=C1 C10404 [0,1,0,0,1,0|2,0,0]=4 763 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 71336 [0,1,0,0,1,0|2,0,0]=4 764 B10R1.194 CC1=CC=C(C(=O)O)N1C D83409 [0,1,0,0,1,0|2,0,0]=4 765 B10R1.194 CC1=CSC(C(=O)O)=C1C C77023 [0,1,0,0,1,0|2,0,0]=4 766 B10R1.194 CN1C(Br)=CC=C1C(=O)O 26338 [0,1,0,0,1,0|2,0,0]=4 767 B10R1.194 CN1C(C(=O)O)=CN=C1O W11944 [0,1,0,0,1,0|2,0,0]=4 768 B10R1.39 COC1=C(C(=O)O)SC=C1 W12768 [0,1,0,0,1,0|1,0,0]=3 769 B10R1.39 COC1=CSC=C1C(=O)O 24669 [0,1,0,0,1,0|1,0,0]=3 770 B10R1.39 COC1=NNC=C1C(=O)O P20920 [0,1,0,0,1,0|2,0,0]=4 771 B10R1.39 O=C(O)C1=C(CO)N=CN1 D79425 [0,1,0,0,1,0|2,0,0]=4 772 B10R1.39 O=CC1=C(C(=O)O)C=CS1 94721 [0,1,0,0,1,0|1,0,1]=4 773 B10R1.39 O=CC1=C(C(=O)O)OC=C1 AT17154 [0,1,0,0,1,0|1,0,1]=4 774 B10R1.149 COC(=O)C1=C(C)C=CN1 38966 [0,1,0,0,1,0|2,0,0]=4 775 B10R1.149 COC(=O)C1=C(O)C=CN1 C10734 [0,1,0,0,1,0|1,0,0]=3 776 B10R1.149 COC(=O)C1=CC=CN1N O11841 [0,1,0,0,1,0|2,0,0]=4 777 B10R1.149 COC(=O)C1=CSC=C1Br 27641 [0,1,0,0,1,0|2,0,0]=4 778 B10R1.149 COC(=O)C1=CSC=C1N P17958 [0,1,0,0,1,0|2,0,0]=4 779 B10R1.192 CC1=C(C(=O)O)N(C)C=C1 W18312 [0,1,0,0,1,0|2,0,0]=4 780 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 W16241 [0,1,0,0,0,1|1,0,0]=3 781 B12R1.19 CC(=O)NC1=CC(Br)=C(Cl)C=C1 W18000 [0,1,0,0,0,1|2,0,0]=4 782 B12R1.19 CC(=O)NC1=CC(C)=C(O)C=C1 C73156 [0,1,0,0,0,1|2,0,0]=4 783 B12R1.19 CC(=O)NC1=CC(N)=C(O)C=C1 W13329 [0,1,0,0,0,1|2,0,0]=4 784 B12R1.19 CC1=C(Br)C=C(CC(=O)O)C=C1 97482 [0,1,0,0,0,1|1,0,0]=3 785 B12R1.19 NC(=O)NC1=CC(Cl)=C(Cl)C=C1 24890 [0,1,0,0,0,1|2,0,0]=4 786 B12R1.19 NC1=C(Br)C=C(CC(=O)O)C=C1 D78654 [0,1,0,0,0,1|1,0,0]=3 787 B12R1.19 NC1=C(F)C=C(CC(=O)O)C=C1 A11218 [0,1,0,0,0,1|1,0,0]=3 788 B12R1.19 NC1=C(N)C=C(CC(=O)O)C=C1 AB9013 [0,1,0,0,0,1|1,0,0]=3 789 B12R1.19 O=C(O)CC1=CC(Cl)=C(Br)C=C1 CL9560 [0,1,0,0,0,1|1,0,0]=3 790 B12R1.50 C=CC(=O)NC1=CC(O)=CC=C1 P18258 [0,1,0,0,0,1|1,0,0]=3 791 B12R1.50 CCC(=O)CC1=CC(C)=CC=C1 N14166 [0,1,0,0,0,1|2,0,0]=4 792 B12R1.50 CCC(=O)CC1=CC=CC(Cl)=C1 N14150 [0,1,0,0,0,1|2,0,0]=4 793 B12R1.50 COC(=O)CC1=CC(Br)=CN=C1 69168 [0,1,0,0,0,1|2,0,0]=4 794 B12R1.50 COC(=O)CC1=CC(Br)=NC=C1 AC2372 [0,1,0,0,0,1|2,0,0]=4 795 B12R1.50 COC(=O)CC1=CC=CC(Cl)=N1 C73088 [0,1,0,0,0,1|2,0,0]=4 796 B12R1.50 COC(=O)CC1=CN=CC(C)=C1 P15504 [0,1,0,0,0,1|2,0,0]=4 797 B12R1.50 COC(=O)CC1=NC=CC(Br)=C1 57353 [0,1,0,0,0,1|2,0,0]=4 798 B12R1.50 COC(=O)NC1=CC=CC(Br)=C1 74407 [0,1,0,0,0,1|1,0,0]=3 799 B12R1.50 NCC(=O)NC1=CC=CC(Cl)=C1 D84555 [0,1,0,0,0,1|2,0,0]=4 800 B12R1.50 NNC(=O)CC1=CC=CC(Cl)=C1 C78389 [0,1,0,0,0,1|2,0,0]=4 801 B12R1.50 N\C(CC1=CC=CC(Br)=C1)=N\O 72183 [0,1,0,0,0,1|2,0,0]=4 802 B12R1.101 CC(=O)NC1=CC(Cl)=CC(Cl)=C1 AB9061 [0,1,0,0,0,1|2,0,0]=4 803 B12R1.101 NC(=O)NC1=CC(F)=CC(F)=C1 W16535 [0,1,0,0,0,1|2,0,0]=4 804 B12R1.101 O=C(O)CC1=CC(O)=CC(O)=C1 AT19147 [0,1,0,0,0,1|0,0,0]=2 805 B12R1.127 CC(=O)NC1=C(Br)C=CC(Br)=C1 28021 [0,1,0,0,0,1|2,0,0]=4 806 B12R1.127 CC(=O)NC1=C(O)C=CC(Cl)=C1 F19911 [0,1,0,0,0,1|2,0,0]=4 807 B12R1.127 CC1=CC(CC(=O)O)=C(F)C=C1 CK1027 [0,1,0,0,0,1|1,0,0]=3 808 B12R1.127 O=C(O)CC1=C(O)C=CC(Cl)=C1 AC5703 [0,1,0,0,0,1|1,0,0]=3 809 B12R1.224 CC(=O)CC1=CC=CC(F)=C1F Y12421 [0,1,0,0,0,1|2,0,0]=4 810 B12R1.224 CC(=O)NC1=C(Cl)C(C)=CC=C1 75491 [0,1,0,0,0,1|2,0,0]=4 811 B12R1.224 CC1=C(CC(=O)O)C=CC=C1N 78655 [0,1,0,0,0,1|1,0,0]=3 812 B12R1.224 CC1=C(I)C=CC=C1CC(=O)O CL9700 [0,1,0,0,0,1|1,0,0]=3 813 B12R1.224 O=C(O)CC1=CC=CC(Br)=C1Cl CL9124 [0,1,0,0,0,1|1,0,0]=3 814 B12R1.225 CC(=O)C(=O)C1=CC=CC(F)=C1 D79282 [0,1,0,0,0,1|2,0,0]=4 815 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 D85965 [0,1,0,0,0,1|1,0,0]=3 816 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 F20906 [0,1,0,0,0,1|1,0,0]=3 817 B12R1.225 CC1=CC=CC([C@@H](N)C(=O)O)=C1 N15140 [0,1,0,0,0,1|1,0,0]=3 818 B12R1.225 CC1=CC=CC([C@@H](N)C(=O)O)=C1 Y14776 [0,1,0,0,0,1|1,0,0]=3 819 B12R1.225 NC(=O)[C@H](N)C1=CC=CC(F)=C1 D80946 [0,1,0,0,0,1|2,0,0]=4 820 B12R1.225 N[C@@H](C(=O)O)C1=CC(O)=CC=C1 Y11300 [0,1,0,0,0,1|0,0,0]=2 821 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 Y10943 [0,1,0,0,0,1|1,0,0]=3 822 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 Y11229 [0,1,0,0,0,1|1,0,0]=3 823 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 57493 [0,1,0,0,0,1|1,0,0]=3 824 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 N10486 [0,1,0,0,0,1|1,0,0]=3 825 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 Y10477 [0,1,0,0,0,1|1,0,0]=3 826 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 52230 [0,1,0,0,0,1|1,0,0]=3 827 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 AT23986 [0,1,0,0,0,1|1,0,0]=3 828 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 AT23988 [0,1,0,0,0,1|1,0,0]=3 829 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 Y11806 [0,1,0,0,0,1|1,0,0]=3 830 B12R1.225 O=C(O)C(=O)C1=CC=CC(Cl)=C1 AB11010 [0,1,0,0,0,1|1,0,0]=3 831 B12R1.225 O=C(O)[C@H](F)C1=CC=CC(Cl)=C1 98548 [0,1,0,0,0,1|1,0,0]=3 832 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Br)=C1 W18887 [0,1,0,0,0,1|1,0,0]=3 833 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 SC4021 [0,1,0,0,0,1|1,0,0]=3 834 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(F)=C1 C75007 [0,1,0,0,0,1|1,0,0]=3 835 B12R1.438 CC(=O)CC1=CC(C#N)=CC=C1 C11184 [0,1,0,0,0,1|2,0,0]=4 836 B12R1.438 CC(=O)NC1=CC(CN)=CC=C1 32078 [0,1,0,0,0,1|2,0,0]=4 837 B12R1.438 CC(=O)OC1=CC=CC(CBr)=C1 C75315 [0,1,0,0,0,1|2,0,0]=4 838 B12R1.438 COC1=CC(NC(=N)N)=CC=C1 27058 [0,1,0,0,0,1|2,0,0]=4 839 B12R1.438 COC1=CC=CC(CC(=O)O)=N1 71977 [0,1,0,0,0,1|1,0,0]=3 840 B12R1.438 COC1=NC=CC(CC(=O)O)=C1 O10459 [0,1,0,0,0,1|1,0,0]=3 841 B12R1.438 N#CC1=NC=CC(CC(=O)O)=C1 C75344 [0,1,0,0,0,1|2,0,0]=4 842 B12R1.438 NCC1=CC=CC(CC(=O)O)=C1 AB3035 [0,1,0,0,0,1|1,0,0]=3 843 B12R1.438 O=CC1=CC=CC(CC(=O)O)=C1 C10742 [0,1,0,0,0,1|0,0,1]=3 844 B12R1.48 C#CC1=C(C)C=C(C(=O)O)C=C1 C72433 [0,2,0,0,0,0|1,0,0]=3 845 B12R1.48 CC(=O)C1=CC(C)=C(C#N)C=C1 34118 [0,2,0,0,0,0|2,0,0]=4 846 B12R1.48 CCC1=C(Br)C=C(C(=O)O)C=C1 C77389 [0,2,0,0,0,0|1,0,0]=3 847 B12R1.48 CCC1=C(F)C=C(C(=O)O)C=C1 36886 [0,2,0,0,0,0|1,0,0]=3 848 B12R1.48 CCN1C=CC(C(=O)O)=CC1=O C71409 [0,2,0,0,0,0|1,0,1]=4 849 B12R1.48 CNC1=C(N)C=C(C(C)=O)C=C1 24155 [0,2,0,0,0,0|2,0,0]=4 850 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 C10744 [0,2,0,0,0,0|2,0,0]=4 851 B12R1.48 COC1=C(Cl)C=C(C(=O)O)N=C1 P11632 [0,2,0,0,0,0|2,0,0]=4 852 B12R1.48 COC1=C(O)C=C(B(O)O)C=C1 R10067 [0,2,0,0,0,0|1,0,1]=4 853 B12R1.48 COC1=COC(C(=O)O)=CC1=O A11938 [0,2,0,0,0,0|1,0,1]=4 854 B12R1.48 COC1=NC=C(C(=O)O)C=C1C 72479 [0,2,0,0,0,0|2,0,0]=4 855 B12R1.48 N#CC1=C(Br)C=C(C(=O)O)C=C1 AB6375 [0,2,0,0,0,0|1,0,0]=3 856 B12R1.48 N#CC1=C(Cl)C=C(C(=O)O)C=C1 95966 [0,2,0,0,0,0|1,0,0]=3 857 B12R1.48 N#CC1=C(N)C=C(C(=O)O)C=C1 CL9384 [0,2,0,0,0,0|1,0,0]=3 858 B12R1.48 N#CC1=CC=C(C(=O)O)N=C1Cl O11578 [0,2,0,0,0,0|2,0,0]=4 859 B12R1.48 O=C(O)C1=CC(F)=C(CBr)C=C1 C90464 [0,2,0,0,0,0|1,0,0]=3 860 B12R1.48 O=C(O)C1=CC(F)=C(CO)C=C1 W10220 [0,2,0,0,0,0|1,0,0]=3 861 B12R1.48 O=C(O)C1=CC(O)=C(CO)C=C1 D80533 [0,2,0,0,0,0|0,0,0]=2 862 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 AC1747 [0,2,0,0,0,0|1,0,0]=3 863 B12R1.48 O=CC1=C(Cl)C=C(C(=O)O)C=C1 CL9202 [0,2,0,0,0,0|1,0,0]=3 864 B12R1.56 CC1=C(CO)C=C(B(O)O)C=C1 W19080 [0,2,0,0,0,0|1,0,1]=4 865 B12R1.56 CC1=NC=C(C(=O)O)C=C1C#N S10273 [0,2,0,0,0,0|2,0,0]=4 866 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 34928 [0,2,0,0,0,0|1,0,0]=3 867 B12R1.56 COC1=C(Br)C=CC(C(C)=O)=C1 W17726 [0,2,0,0,0,0|1,0,0]=3 868 B12R1.56 COC1=C(Br)C=NC(C(=O)O)=C1 54904 [0,2,0,0,0,0|1,0,0]=3 869 B12R1.56 COC1=C(C)C=CC(C(C)=O)=C1 CL9533 [0,2,0,0,0,0|1,0,0]=3 870 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=N1 36093 [0,2,0,0,0,0|1,0,0]=3 871 B12R1.56 COC1=C(I)C=CC(C(=O)O)=C1 AT15468 [0,2,0,0,0,0|0,0,0]=2 872 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 Y13466 [0,2,0,0,0,0|1,0,1]=4 873 B12R1.56 COC1=CC(C(=O)O)=CN=C1I W12409 [0,2,0,0,0,0|1,0,0]=3 874 B12R1.56 COC1=CC(C(N)=O)=CN=C1Cl D79886 [0,2,0,0,0,0|2,0,0]=4 875 B12R1.56 CSC1=C(Cl)C=CC(C(=O)O)=C1 AR3416 [0,2,0,0,0,0|0,1,0]=3 876 B12R1.56 N#CC1=C(N)C=CC(C(=O)O)=C1 CL9205 [0,2,0,0,0,0|1,0,0]=3 877 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 59544 [0,2,0,0,0,0|1,0,0]=3 878 B12R1.56 N#CC1=CC(C(=O)O)=CN=C1Cl AC2146 [0,2,0,0,0,0|2,0,0]=4 879 B12R1.56 N#CC1=CC(C(=O)O)=CN=C1O AC4208 [0,2,0,0,0,0|2,0,0]=4 880 B12R1.56 NC1=C(CO)C=C([N+](=O)[O-])C=C1 A12838 [0,2,0,0,0,0|1,0,1]=4 881 B12R1.232 CC(=O)C1=C(O)C=C(O)C(O)=C1 W17281 [0,2,0,0,0,0|1,0,0]=3 882 B12R1.232 CC(=O)C1=CC(Br)=C(C)C=C1N 56175 [0,2,0,0,0,0|2,0,0]=4 883 B12R1.232 CC(=O)C1=CC(Br)=C(F)C=C1O 58091 [0,2,0,0,0,0|2,0,0]=4 884 B12R1.232 CC(=O)C1=CC(Br)=C(O)C=C1O Y13503 [0,2,0,0,0,0|2,0,0]=4 885 B12R1.232 CC(=O)C1=CC(Cl)=C(Cl)C=C1C C11047 [0,2,0,0,0,0|2,0,0]=4 886 B12R1.232 CC(=O)C1=CC(Cl)=C(Cl)C=C1Cl W18042 [0,2,0,0,0,0|2,0,0]=4 887 B12R1.232 CC(=O)C1=CC(Cl)=C(F)C=C1N AC1207 [0,2,0,0,0,0|2,0,0]=4 888 B12R1.232 CC(=O)C1=CC(F)=C(Br)C=C1O W17159 [0,2,0,0,0,0|2,0,0]=4 889 B12R1.232 CC1=C(Br)C=C(C(=O)O)C(O)=C1 W19041 [0,2,0,0,0,0|1,0,0]=3 890 B12R1.232 CC1=C(C)N=C(Cl)C(C(=O)O)=C1 O10731 [0,2,0,0,0,0|2,0,0]=4 891 B12R1.232 CC1=C(F)C=C(C(=O)O)C(N)=C1 D78272 [0,2,0,0,0,0|1,0,0]=3 892 B12R1.232 CC1=CC(Br)=C(N)C=C1C(=O)O 72855 [0,2,0,0,0,0|1,0,0]=3 893 B12R1.232 CC1=CC(Br)=C(O)C=C1[N+](=O)[O-] AC1548 [0,2,0,0,0,0|1,0,1]=4 894 B12R1.232 CC1=CC(C(=O)O)=C(C)C=C1N N10396 [0,2,0,0,0,0|1,0,0]=3 895 B12R1.232 CC1=CC(C(=O)O)=C(C)C=C1O AC5772 [0,2,0,0,0,0|1,0,0]=3 896 B12R1.232 CC1=CC(C)=C(Br)C=C1C(=O)O N12774 [0,2,0,0,0,0|1,0,0]=3 897 B12R1.232 CC1=CC(C)=C([N+](=O)[O-])C=C1O 79677 [0,2,0,0,0,0|1,0,1]=4 898 B12R1.232 CC1=CC(Cl)=C(Cl)C=C1C(=O)O N13250 [0,2,0,0,0,0|1,0,0]=3 899 B12R1.232 CC1=CC(F)=C(Br)C=C1C(=O)O 79589 [0,2,0,0,0,0|1,0,0]=3 900 B12R1.232 CC1=CC(N)=C(C(=O)O)C=C1O 85911 [0,2,0,0,0,0|0,0,0]=2 901 B12R1.232 NC1=C(C(=O)O)C=C(Cl)C(Cl)=N1 P20935 [0,2,0,0,0,0|2,0,0]=4 902 B12R1.232 NC1=C(C(=O)O)C=C(O)C(O)=C1 AB8031 [0,2,0,0,0,0|0,0,0]=2 903 B12R1.232 NC1=C(Cl)C=C(Cl)C(C(=O)O)=C1 34912 [0,2,0,0,0,0|1,0,0]=3 904 B12R1.232 NC1=CC(Br)=C(Br)C=C1C(=O)O 34910 [0,2,0,0,0,0|1,0,0]=3 905 B12R1.232 NC1=CC(Br)=C(F)C=C1C(=O)O 54728 [0,2,0,0,0,0|1,0,0]=3 906 B12R1.232 NC1=CC(Br)=C(F)C=C1C(=O)O AC4169 [0,2,0,0,0,0|1,0,0]=3 907 B12R1.232 NC1=CC(Cl)=C(F)C=C1C(=O)O CL9060 [0,2,0,0,0,0|1,0,0]=3 908 B12R1.232 NC1=CC(F)=C(Cl)C=C1C(=O)O C74806 [0,2,0,0,0,0|1,0,0]=3 909 B12R1.232 O=C(O)C1=C(Cl)C=C(Cl)C(Cl)=N1 36047 [0,2,0,0,0,0|2,0,0]=4 910 B12R1.232 O=C(O)C1=C(Cl)C=C(F)C(Br)=N1 D70737 [0,2,0,0,0,0|2,0,0]=4 911 B12R1.232 O=C(O)C1=CC(Br)=C(Br)C=C1F AB10078 [0,2,0,0,0,0|1,0,0]=3 912 B12R1.232 O=C(O)C1=CC(Br)=C(F)C=C1Cl W17792 [0,2,0,0,0,0|1,0,0]=3 913 B12R1.232 O=C(O)C1=CC(Br)=C(F)C=C1F F14505 [0,2,0,0,0,0|1,0,0]=3 914 B12R1.232 O=C(O)C1=CC(Br)=C(O)C=C1F W15314 [0,2,0,0,0,0|1,0,0]=3 915 B12R1.232 O=C(O)C1=CC(Cl)=C(F)C=C1O 87142 [0,2,0,0,0,0|1,0,0]=3 916 B12R1.232 O=C(O)C1=CC(Cl)=C(O)C=C1O 81000 [0,2,0,0,0,0|1,0,0]=3 917 B12R1.232 O=C(O)C1=CC(F)=C(F)C=C1O C73895 [0,2,0,0,0,0|1,0,0]=3 918 B12R1.232 O=C(O)C1=CC(I)=C(F)C=C1Cl C10866 [0,2,0,0,0,0|1,0,0]=3 919 B12R1.232 O=[N+]([O-])C1=CC(O)=C(Br)C=C1Cl W17767 [0,2,0,0,0,0|1,0,1]=4 920 B12R1.367 CCC(=O)C1=CC(C)=C(F)C=C1 N14308 [0,2,0,0,0,0|2,0,0]=4 921 B12R1.367 CCC(=O)C1=CC(F)=C(C)C=C1 N14054 [0,2,0,0,0,0|2,0,0]=4 922 B12R1.367 CNC(=O)C1=CC(F)=C(N)C=C1 AB8036 [0,2,0,0,0,0|2,0,0]=4 923 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=N1 D82594 [0,2,0,0,0,0|2,0,0]=4 924 B12R1.367 COC(=O)C1=CC(Br)=C(C)N=C1 89893 [0,2,0,0,0,0|2,0,0]=4 925 B12R1.367 COC(=O)C1=CC(Br)=C(F)N=C1 52415 [0,2,0,0,0,0|2,0,0]=4 926 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=N1 27161 [0,2,0,0,0,0|2,0,0]=4 927 B12R1.367 COC(=O)C1=CC(Cl)=C(C)C=N1 36387 [0,2,0,0,0,0|2,0,0]=4 928 B12R1.367 COC(=O)C1=CC(Cl)=C(I)C=C1 71900 [0,2,0,0,0,0|1,0,0]=3 929 B12R1.367 COC(=O)C1=CC(I)=C(N)N=C1 D74443 [0,2,0,0,0,0|2,0,0]=4 930 B12R1.367 COC(=O)C1=CC(O)=C(Cl)C=C1 26246 [0,2,0,0,0,0|0,0,0]=2 931 B12R1.367 COC(=O)C1=CC=C(Br)C(Br)=N1 D94492 [0,2,0,0,0,0|2,0,0]=4 932 B12R1.367 COC(=O)C1=CC=C(C)C(Br)=N1 27120 [0,2,0,0,0,0|2,0,0]=4 933 B12R1.367 COC(=O)C1=CC=C(Cl)C(Br)=N1 D70929 [0,2,0,0,0,0|2,0,0]=4 934 B12R1.367 COC(=O)C1=CC=C(N)C(Br)=N1 F30314 [0,2,0,0,0,0|2,0,0]=4 935 B12R1.367 COC(=O)C1=CC=C(O)C(Br)=N1 A10575 [0,2,0,0,0,0|2,0,0]=4 936 B12R1.367 COC(=O)C1=CN=C(Br)C(C)=C1 C71741 [0,2,0,0,0,0|2,0,0]=4 937 B12R1.367 COC(=O)C1=CN=C(Br)C(Cl)=C1 AT10809 [0,2,0,0,0,0|2,0,0]=4 938 B12R1.367 COC(=O)C1=CN=C(C)C(C)=C1 W18451 [0,2,0,0,0,0|2,0,0]=4 939 B12R1.367 COC(=O)C1=CN=C(Cl)C(N)=C1 C74015 [0,2,0,0,0,0|2,0,0]=4 940 B12R1.367 COC(=O)C1=CN=C(I)C(O)=C1 P14147 [0,2,0,0,0,0|1,0,0]=3 941 B12R1.367 COC(=O)C1=CN=C(N)C(C)=C1 D71942 [0,2,0,0,0,0|2,0,0]=4 942 B12R1.367 COC(=O)C1=CN=C(N)C(O)=C1 C72053 [0,2,0,0,0,0|1,0,0]=3 943 B12R1.367 COC(=O)C1=CN=C(O)C(O)=C1 P13461 [0,2,0,0,0,0|1,0,0]=3 944 B12R1.367 COC(=O)C1=NC(C)=C(Br)C=C1 O11955 [0,2,0,0,0,0|2,0,0]=4 945 B12R1.367 COC(=O)C1=NC(C)=C(F)C=C1 P15512 [0,2,0,0,0,0|2,0,0]=4 946 B12R1.367 COC(=O)C1=NC(Cl)=C(Br)C=C1 27103 [0,2,0,0,0,0|2,0,0]=4 947 B12R1.367 COC(=O)C1=NC(N)=C(Cl)C=C1 D80838 [0,2,0,0,0,0|2,0,0]=4 948 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 P10795 [0,2,0,0,0,0|1,0,0]=3 949 B12R1.367 COC(=O)C1=NC=C(C)C(N)=C1 F18534 [0,2,0,0,0,0|2,0,0]=4 950 B12R1.367 COC(=O)C1=NC=C(N)C(N)=C1 RB3263 [0,2,0,0,0,0|2,0,0]=4 951 B12R1.367 COC(=O)C1=NC=C(O)C(O)=C1 CS1665 [0,2,0,0,0,0|1,0,0]=3 952 B12R1.367 NCC(=O)C1=CC(F)=C(Br)C=C1 80144 [0,2,0,0,0,0|2,0,0]=4 953 B12R1.367 NCC(=O)C1=CC(O)=C(O)C=C1 A11075 [0,2,0,0,0,0|1,0,0]=3 954 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 A12589 [0,2,0,0,0,0|1,0,1]=4 955 B12R1.367 O=C(CBr)C1=CC(F)=C(Cl)C=C1 D87891 [0,2,0,0,0,0|2,0,0]=4 956 B12R1.367 O=C(CCl)C1=CC(F)=C(Br)C=C1 80196 [0,2,0,0,0,0|2,0,0]=4 957 B12R1.893 CC(=O)C1=C(F)C(F)=C(Br)C=C1 95672 [0,2,0,0,0,0|2,0,0]=4 958 B12R1.893 CC(=O)C1=CC=C(F)C(F)=C1Br 95669 [0,2,0,0,0,0|2,0,0]=4 959 B12R1.893 CC1=C(Br)C=CC(C(=O)O)=C1F F13685 [0,2,0,0,0,0|1,0,0]=3 960 B12R1.893 CC1=C(Br)C=CC(C(=O)O)=C1N AC8749 [0,2,0,0,0,0|1,0,0]=3 961 B12R1.893 CC1=C(C)C(C)=C(C(=O)O)C=C1 F11631 [0,2,0,0,0,0|1,0,0]=3 962 B12R1.893 CC1=C(C)C(I)=C(C(=O)O)C=C1 87931 [0,2,0,0,0,0|1,0,0]=3 963 B12R1.893 CC1=C(C)C(O)=C(C(=O)O)C=C1 D95028 [0,2,0,0,0,0|1,0,0]=3 964 B12R1.893 CC1=C(Cl)C=CC(C(=O)O)=C1F A10576 [0,2,0,0,0,0|1,0,0]=3 965 B12R1.893 CC1=C(Cl)C=CC(C(=O)O)=C1N F16600 [0,2,0,0,0,0|1,0,0]=3 966 B12R1.893 CC1=C(F)C=CC(C(=O)O)=C1F 24999 [0,2,0,0,0,0|1,0,0]=3 967 B12R1.893 CC1=C(N)C(C)=C(C(=O)O)C=C1 93860 [0,2,0,0,0,0|1,0,0]=3 968 B12R1.893 CC1=C(N)C=CC(C(=O)O)=C1C 34920 [0,2,0,0,0,0|1,0,0]=3 969 B12R1.893 CC1=CC=C(C(=O)O)C(Cl)=C1Cl D86550 [0,2,0,0,0,0|1,0,0]=3 970 B12R1.893 CC1=CC=C(C(=O)O)C(F)=C1I 55471 [0,2,0,0,0,0|1,0,0]=3 971 B12R1.893 CC1=CC=C(C(=O)O)C(N)=C1Br 54754 [0,2,0,0,0,0|1,0,0]=3 972 B12R1.893 NC1=C(Br)C(Cl)=CC=C1C(=O)O Y13550 [0,2,0,0,0,0|1,0,0]=3 973 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1O D80855 [0,2,0,0,0,0|0,0,0]=2 974 B12R1.893 NC1=C(Cl)C(Cl)=CC=C1C(=O)O O10647 [0,2,0,0,0,0|1,0,0]=3 975 B12R1.893 NC1=CC=C(C(=O)O)C(Cl)=C1F A10783 [0,2,0,0,0,0|1,0,0]=3 976 B12R1.893 O=C(O)C1=C(Cl)C(Cl)=C(Br)C=C1 98179 [0,2,0,0,0,0|1,0,0]=3 977 B12R1.893 O=C(O)C1=C(F)C(F)=C(I)C=C1 C75339 [0,2,0,0,0,0|1,0,0]=3 978 B12R1.893 O=C(O)C1=C(O)C(F)=C(Br)C=C1 AT11230 [0,2,0,0,0,0|1,0,0]=3 979 B12R1.893 O=C(O)C1=C(O)C(O)=C(Br)C=C1 53229 [0,2,0,0,0,0|0,0,0]=2 980 B12R1.893 O=C(O)C1=CC=C(Cl)C(Br)=C1Cl 36583 [0,2,0,0,0,0|1,0,0]=3 981 B12R1.893 O=C(O)C1=CC=C(F)C(Br)=C1F C10544 [0,2,0,0,0,0|1,0,0]=3 982 B12R1.893 O=C(O)C1=CC=C(O)C(F)=C1F CK2226 [0,2,0,0,0,0|1,0,0]=3 983 B12R1.893 O=C(O)C1=CC=C(O)C(O)=C1Cl F19892 [0,2,0,0,0,0|0,0,0]=2 984 B12R1.893 O=C(O)C1=CN=C(Cl)C(F)=C1Cl P16057 [0,2,0,0,0,0|2,0,0]=4 985 B12R1.893 O=C(O)C1=CN=C(F)C(F)=C1Cl 26382 [0,2,0,0,0,0|2,0,0]=4 986 B12R1.893 O=[N+]([O-])C1=CC=C(F)C(O)=C1F D96235 [0,2,0,0,0,0|1,0,1]=4 987 B12R1.1005 CC(=O)C1=CC(Br)=C(N)C(Br)=C1 20787 [0,2,0,0,0,0|2,0,0]=4 988 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1N 34936 [0,2,0,0,0,0|1,0,0]=3 989 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1Br 34977 [0,2,0,0,0,0|1,0,0]=3 990 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1C D94858 [0,2,0,0,0,0|1,0,0]=3 991 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1N 34923 [0,2,0,0,0,0|1,0,0]=3 992 B12R1.1005 CC1=CC(C(N)=O)=CC(C)=C1Br 55755 [0,2,0,0,0,0|2,0,0]=4 993 B12R1.1005 CC1=CC(C(N)=O)=CC(C)=C1I C12877 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.1005 NC1=C(F)C=C(C(=O)O)C=C1F 34916 [0,2,0,0,0,0|1,0,0]=3 995 B12R1.1005 O=C(O)C1=CC(Cl)=C(O)C(O)=C1 W17154 [0,2,0,0,0,0|0,0,0]=2 996 B12R1.1005 O=C(O)C1=CC(F)=C(Br)C(F)=C1 CL9597 [0,2,0,0,0,0|1,0,0]=3 997 B12R1.1005 O=C(O)C1=CC(F)=C(O)C(F)=C1 35062 [0,2,0,0,0,0|1,0,0]=3 998 B12R1.1005 O=[N+]([O-])C1=CC(Cl)=C(Cl)C(O)=C1 CL9677 [0,2,0,0,0,0|1,0,1]=4 999 B12R1.17 CCCC(=O)C1=CC=CC(Br)=C1 N13963 [0,2,0,0,0,0|2,0,0]=4 1000 B12R1.17 CCOC(=O)C1=CC(=O)C=CO1 C72931 [0,2,0,0,0,0|1,0,1]=4 1001 B12R1.17 CCOC(=O)C1=CC(=O)NC=C1 72628 [0,2,0,0,0,0|1,0,1]=4 1002 B12R1.17 CCOC(=O)C1=CC(C)=CC=C1 S12346 [0,2,0,0,0,0|1,0,0]=3 1003 B12R1.17 CCOC(=O)C1=CC(C)=NC=C1 90616 [0,2,0,0,0,0|2,0,0]=4 1004 B12R1.17 CCOC(=O)C1=CC(F)=NC=C1 91499 [0,2,0,0,0,0|2,0,0]=4 1005 B12R1.17 CCOC(=O)C1=NC(C)=CC=C1 D84508 [0,2,0,0,0,0|2,0,0]=4 1006 B12R1.17 CCOC(=O)C1=NC=CC(F)=C1 AB10269 [0,2,0,0,0,0|2,0,0]=4 1007 B12R1.17 N[C@@H](CCO)C1=CC=CC(O)=C1 62495 [0,2,0,0,0,0|1,0,1]=4 1008 B12R1.24 CCC(=O)C1=CC=CC(F)=C1C W10818 [0,2,0,0,0,0|2,0,0]=4 1009 B12R1.24 COC(=O)C1=C(Cl)C(Cl)=CC=N1 W16398 [0,2,0,0,0,0|2,0,0]=4 1010 B12R1.24 COC(=O)C1=C(F)C(Br)=NC=C1 AC2387 [0,2,0,0,0,0|2,0,0]=4 1011 B12R1.24 COC(=O)C1=C(F)C(F)=NC=C1 22790 [0,2,0,0,0,0|2,0,0]=4 1012 B12R1.24 COC(=O)C1=C(N)C(C)=NC=C1 P11890 [0,2,0,0,0,0|2,0,0]=4 1013 B12R1.24 COC(=O)C1=C(N)C(O)=CC=C1 25739 [0,2,0,0,0,0|0,0,0]=2 1014 B12R1.24 COC(=O)C1=CC=CC(F)=C1O 35125 [0,2,0,0,0,0|1,0,0]=3 1015 B12R1.24 COC(=O)C1=CC=CC(I)=C1Cl C90780 [0,2,0,0,0,0|1,0,0]=3 1016 B12R1.24 COC(=O)C1=CC=CC(I)=C1F CL9472 [0,2,0,0,0,0|1,0,0]=3 1017 B12R1.24 COC(=O)C1=CC=CC(I)=C1N 87420 [0,2,0,0,0,0|1,0,0]=3 1018 B12R1.24 COC(=O)C1=CC=CC(N)=C1Cl C71675 [0,2,0,0,0,0|1,0,0]=3 1019 B12R1.24 COC(=O)C1=CC=CC(N)=C1F 84758 [0,2,0,0,0,0|1,0,0]=3 1020 B12R1.24 COC(=O)C1=CC=CC(N)=C1I D93611 [0,2,0,0,0,0|1,0,0]=3 1021 B12R1.24 COC(=O)C1=CC=CC(O)=C1Cl O11869 [0,2,0,0,0,0|0,0,0]=2 1022 B12R1.24 COC(=O)C1=CC=CC(O)=C1F 31763 [0,2,0,0,0,0|0,0,0]=2 1023 B12R1.24 COC(=O)C1=CC=CN(C)C1=O P10137 [0,2,0,0,0,0|2,0,0]=4 1024 B12R1.24 COC(=O)C1=CN=CC(Br)=C1Cl O11951 [0,2,0,0,0,0|2,0,0]=4 1025 B12R1.24 COC(=O)C1=CN=CC(Br)=C1O C71564 [0,2,0,0,0,0|2,0,0]=4 1026 B12R1.24 COC(=O)C1=CN=CC(Cl)=C1Cl D79951 [0,2,0,0,0,0|2,0,0]=4 1027 B12R1.24 COC(=O)C1=NC=CC(Br)=C1C W12069 [0,2,0,0,0,0|2,0,0]=4 1028 B12R1.24 COC(=O)C1=NC=CC(Cl)=C1C 36343 [0,2,0,0,0,0|2,0,0]=4 1029 B12R1.24 COC(=O)C1=NC=CC(Cl)=C1F C71146 [0,2,0,0,0,0|2,0,0]=4 1030 B12R1.24 NNC(=O)C1=CC=CC(Cl)=C1Cl C75178 [0,2,0,0,0,0|2,0,0]=4 1031 B12R1.354 CC1=C(C(=O)NN)C=C(Br)C=C1 W11103 [0,2,0,0,0,0|2,0,0]=4 1032 B12R1.354 CCC(=O)C1=C(C)C=CC(Cl)=C1 W17965 [0,2,0,0,0,0|2,0,0]=4 1033 B12R1.354 CCC(=O)C1=C(F)C=CC(Br)=C1 F19670 [0,2,0,0,0,0|2,0,0]=4 1034 B12R1.354 CCC(=O)C1=C(N)C=CC(Br)=C1 C14451 [0,2,0,0,0,0|2,0,0]=4 1035 B12R1.354 CCC(=O)C1=C(O)C=CC(Cl)=C1 W10407 [0,2,0,0,0,0|2,0,0]=4 1036 B12R1.354 CNC(=O)C1=C(F)C=CC(N)=C1 AB3027 [0,2,0,0,0,0|2,0,0]=4 1037 B12R1.354 COC(=O)C1=C(Br)C=CC(C)=N1 N11759 [0,2,0,0,0,0|2,0,0]=4 1038 B12R1.354 COC(=O)C1=C(Br)C=CC(Cl)=N1 83150 [0,2,0,0,0,0|2,0,0]=4 1039 B12R1.354 COC(=O)C1=C(Br)C=CC(O)=C1 91199 [0,2,0,0,0,0|0,0,0]=2 1040 B12R1.354 COC(=O)C1=C(C)C=CC(Br)=N1 D80475 [0,2,0,0,0,0|2,0,0]=4 1041 B12R1.354 COC(=O)C1=C(C)C=CC(O)=C1 35162 [0,2,0,0,0,0|0,0,0]=2 1042 B12R1.354 COC(=O)C1=C(Cl)C=CC(=O)N1 C71788 [0,2,0,0,0,0|1,0,1]=4 1043 B12R1.354 COC(=O)C1=C(Cl)C=CC(Br)=N1 D70469 [0,2,0,0,0,0|2,0,0]=4 1044 B12R1.354 COC(=O)C1=C(Cl)C=CC(N)=N1 D74444 [0,2,0,0,0,0|2,0,0]=4 1045 B12R1.354 COC(=O)C1=C(F)C=CC(Br)=N1 C71779 [0,2,0,0,0,0|2,0,0]=4 1046 B12R1.354 COC(=O)C1=C(F)C=CC(C)=N1 D79814 [0,2,0,0,0,0|2,0,0]=4 1047 B12R1.354 COC(=O)C1=C(I)C=CC(Cl)=C1 F14202 [0,2,0,0,0,0|1,0,0]=3 1048 B12R1.354 COC(=O)C1=C(I)C=CC(F)=C1 TD1035 [0,2,0,0,0,0|1,0,0]=3 1049 B12R1.354 COC(=O)C1=C(I)C=CC(N)=C1 C90900 [0,2,0,0,0,0|1,0,0]=3 1050 B12R1.354 COC(=O)C1=C(N)C=CC(Br)=N1 Y10087 [0,2,0,0,0,0|2,0,0]=4 1051 B12R1.354 COC(=O)C1=C(N)C=CC(Cl)=N1 36328 [0,2,0,0,0,0|2,0,0]=4 1052 B12R1.354 COC(=O)C1=C(N)C=CC(N)=C1 C75313 [0,2,0,0,0,0|1,0,0]=3 1053 B12R1.354 COC(=O)C1=C(N)C=NC(C)=C1 92402 [0,2,0,0,0,0|2,0,0]=4 1054 B12R1.354 COC(=O)C1=C(N)N=CC(C)=C1 27205 [0,2,0,0,0,0|2,0,0]=4 1055 B12R1.354 COC(=O)C1=CC(Br)=CN=C1Br P11748 [0,2,0,0,0,0|2,0,0]=4 1056 B12R1.354 COC(=O)C1=CC(Br)=NC=C1Cl 33641 [0,2,0,0,0,0|2,0,0]=4 1057 B12R1.354 COC(=O)C1=CC(Br)=NC=C1O P12277 [0,2,0,0,0,0|2,0,0]=4 1058 B12R1.354 COC(=O)C1=CC(C)=CN=C1Br F31227 [0,2,0,0,0,0|2,0,0]=4 1059 B12R1.354 COC(=O)C1=CC(Cl)=CNC1=O AB10289 [0,2,0,0,0,0|2,0,0]=4 1060 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1N 36566 [0,2,0,0,0,0|2,0,0]=4 1061 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1O P12281 [0,2,0,0,0,0|2,0,0]=4 1062 B12R1.354 COC(=O)C1=CC(F)=CN=C1Br D79790 [0,2,0,0,0,0|2,0,0]=4 1063 B12R1.354 COC(=O)C1=CC(F)=CN=C1C D83689 [0,2,0,0,0,0|2,0,0]=4 1064 B12R1.354 COC(=O)C1=CC(F)=CN=C1F N13221 [0,2,0,0,0,0|2,0,0]=4 1065 B12R1.354 COC(=O)C1=CC(N)=CN=C1Cl AB9601 [0,2,0,0,0,0|2,0,0]=4 1066 B12R1.354 COC(=O)C1=CC(O)=CN=C1Cl P16237 [0,2,0,0,0,0|1,0,0]=3 1067 B12R1.354 COC(=O)C1=NC(C)=CC=C1O C75887 [0,2,0,0,0,0|2,0,0]=4 1068 B12R1.354 O=C(CCl)C1=C(O)C=CC(O)=C1 D93523 [0,2,0,0,0,0|1,0,0]=3 1069 B12R1.358 COC(=O)C1=CC(Br)=CC(Br)=N1 O11925 [0,2,0,0,0,0|2,0,0]=4 1070 B12R1.358 COC(=O)C1=CC(Br)=CC(Cl)=C1 AC2412 [0,2,0,0,0,0|1,0,0]=3 1071 B12R1.358 COC(=O)C1=CC(Br)=CC(N)=N1 F19593 [0,2,0,0,0,0|2,0,0]=4 1072 B12R1.358 COC(=O)C1=CC(Br)=CC(O)=C1 92695 [0,2,0,0,0,0|0,0,0]=2 1073 B12R1.358 COC(=O)C1=CC(Br)=NC(Br)=C1 39016 [0,2,0,0,0,0|2,0,0]=4 1074 B12R1.358 COC(=O)C1=CC(Br)=NC(C)=C1 63854 [0,2,0,0,0,0|2,0,0]=4 1075 B12R1.358 COC(=O)C1=CC(Br)=NC(F)=C1 70482 [0,2,0,0,0,0|2,0,0]=4 1076 B12R1.358 COC(=O)C1=CC(C)=CC(Cl)=N1 90351 [0,2,0,0,0,0|2,0,0]=4 1077 B12R1.358 COC(=O)C1=CC(C)=CC(F)=C1 95607 [0,2,0,0,0,0|1,0,0]=3 1078 B12R1.358 COC(=O)C1=CC(C)=NC(C)=C1 85555 [0,2,0,0,0,0|2,0,0]=4 1079 B12R1.358 COC(=O)C1=CC(Cl)=CC(Br)=N1 D83505 [0,2,0,0,0,0|2,0,0]=4 1080 B12R1.358 COC(=O)C1=CC(Cl)=CC(F)=N1 91501 [0,2,0,0,0,0|2,0,0]=4 1081 B12R1.358 COC(=O)C1=CC(Cl)=CC(O)=C1 F13564 [0,2,0,0,0,0|0,0,0]=2 1082 B12R1.358 COC(=O)C1=CC(F)=CC(O)=C1 AC2842 [0,2,0,0,0,0|0,0,0]=2 1083 B12R1.358 COC(=O)C1=CC(I)=CC(N)=C1 68573 [0,2,0,0,0,0|1,0,0]=3 1084 B12R1.358 COC(=O)C1=CC(I)=CC(O)=C1 63574 [0,2,0,0,0,0|0,0,0]=2 1085 B12R1.358 COC(=O)C1=CC(N)=CC(C)=C1 35796 [0,2,0,0,0,0|1,0,0]=3 1086 B12R1.358 COC(=O)C1=CC(N)=CC(Cl)=N1 P17484 [0,2,0,0,0,0|2,0,0]=4 1087 B12R1.358 COC(=O)C1=CC(N)=NC(C)=C1 C14032 [0,2,0,0,0,0|2,0,0]=4 1088 B12R1.435 C#CC1=NC=CC(C(=O)OC)=C1 C72023 [0,2,0,0,0,0|2,0,0]=4 1089 B12R1.435 C=CC1=CC=CC(C(=O)OC)=C1 D70627 [0,2,0,0,0,0|1,0,0]=3 1090 B12R1.435 C=CC1=NC=CC(C(=O)OC)=C1 AT24831 [0,2,0,0,0,0|2,0,0]=4 1091 B12R1.435 CCC1=CC=CC(C(=O)OC)=N1 87881 [0,2,0,0,0,0|2,0,0]=4 1092 B12R1.435 CNC1=CC(C(=O)OC)=CN=C1 AC2444 [0,2,0,0,0,0|2,0,0]=4 1093 B12R1.435 COC(=O)C1=CC(CBr)=CN=C1 95192 [0,2,0,0,0,0|2,0,0]=4 1094 B12R1.435 COC(=O)C1=CC(CCl)=CN=C1 D82677 [0,2,0,0,0,0|2,0,0]=4 1095 B12R1.435 COC(=O)C1=CC(CN)=NC=C1 83064 [0,2,0,0,0,0|2,0,0]=4 1096 B12R1.435 COC(=O)C1=CC(CO)=NC=C1 66246 [0,2,0,0,0,0|1,0,0]=3 1097 B12R1.435 COC(=O)C1=CC(NN)=CC=C1 Y14662 [0,2,0,0,0,0|1,0,0]=3 1098 B12R1.435 COC(=O)C1=CC=CC(CCl)=N1 C15344 [0,2,0,0,0,0|2,0,0]=4 1099 B12R1.435 COC(=O)C1=CC=CC(CF)=N1 C71729 [0,2,0,0,0,0|2,0,0]=4 1100 B12R1.435 COC(=O)C1=CN=CC(C#N)=C1 AB9682 [0,2,0,0,0,0|2,0,0]=4 1101 B12R1.435 COC(=O)C1=CN=CC(C=O)=C1 P16250 [0,2,0,0,0,0|1,0,1]=4 1102 B12R1.435 COC(=O)C1=CN=CC(CN)=C1 C72063 [0,2,0,0,0,0|2,0,0]=4 1103 B12R1.435 COC(=O)C1=NC(CN)=CC=C1 C73301 [0,2,0,0,0,0|2,0,0]=4 1104 B12R1.435 COC(=O)C1=NC=CC(C#N)=C1 79688 [0,2,0,0,0,0|2,0,0]=4 1105 B12R1.435 COC(=O)C1=NC=CC(C=O)=C1 C76018 [0,2,0,0,0,0|1,0,1]=4 1106 B12R1.435 COC(=O)C1=NC=CC(CCl)=C1 P16244 [0,2,0,0,0,0|2,0,0]=4 1107 B12R1.435 COC1=CC(C(=O)CBr)=NC=C1 D79755 [0,2,0,0,0,0|2,0,0]=4 1108 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 N11092 [0,2,0,0,0,0|1,0,1]=4 1109 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 N11180 [0,2,0,0,0,0|1,0,1]=4 1110 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 N13158 [0,2,0,0,0,0|1,0,1]=4 1111 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 Y10659 [0,2,0,0,0,0|1,0,1]=4 1112 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 Y10687 [0,2,0,0,0,0|1,0,1]=4 1113 B12R1.435 COC1=CC=CC(C(=O)CCl)=N1 78726 [0,2,0,0,0,0|2,0,0]=4 1114 B12R1.435 N#CC1=CC=CC(C(=O)NN)=C1 D85705 [0,2,0,0,0,0|2,0,0]=4 1115 B12R1.11 CC1=CC(B(O)O)=CC(CO)=C1 N12633 [0,2,0,0,0,0|1,0,1]=4 1116 B12R1.11 CC1=CC([N+](=O)[O-])=CC(CO)=C1 35599 [0,2,0,0,0,0|1,0,1]=4 1117 B12R1.11 CCC1=CC(F)=CC(C(=O)O)=C1 D86703 [0,2,0,0,0,0|1,0,0]=3 1118 B12R1.11 CCC1=NC(C)=CC(C(=O)O)=C1 72575 [0,2,0,0,0,0|2,0,0]=4 1119 B12R1.11 COC1=CC(Br)=NC(C(=O)O)=C1 C71243 [0,2,0,0,0,0|1,0,0]=3 1120 B12R1.11 COC1=CC(C(=O)O)=CC(Br)=N1 C76744 [0,2,0,0,0,0|1,0,0]=3 1121 B12R1.11 COC1=CC(C(=O)O)=CC(I)=C1 63571 [0,2,0,0,0,0|0,0,0]=2 1122 B12R1.11 COC1=CC(C(C)=O)=CC(F)=C1 95671 [0,2,0,0,0,0|1,0,0]=3 1123 B12R1.11 COC1=CC(Cl)=NC(C(=O)O)=C1 C76985 [0,2,0,0,0,0|1,0,0]=3 1124 B12R1.11 COC1=CC(N)=CC(C(N)=O)=C1 C77319 [0,2,0,0,0,0|1,0,0]=3 1125 B12R1.11 COC1=CC(O)=CC(C(C)=O)=C1 W10358 [0,2,0,0,0,0|1,0,0]=3 1126 B12R1.11 COC1=CC(O)=CC([N+](=O)[O-])=C1 F50989 [0,2,0,0,0,0|1,0,1]=4 1127 B12R1.11 COC1=CC([N+](=O)[O-])=CC(Cl)=C1 75798 [0,2,0,0,0,0|1,0,1]=4 1128 B12R1.11 N#CC1=CC(C(=O)O)=CC(Cl)=C1 O10982 [0,2,0,0,0,0|1,0,0]=3 1129 B12R1.11 NC1=CC(CO)=CC([N+](=O)[O-])=C1 O10072 [0,2,0,0,0,0|1,0,1]=4 1130 B12R1.11 O=C(O)C1=CC(CO)=CC(F)=C1 C76616 [0,2,0,0,0,0|0,0,0]=2 1131 B12R1.11 O=CC1=CC(F)=CC(C(=O)O)=C1 AC1779 [0,2,0,0,0,0|0,0,1]=3 1132 B12R1.11 O=[N+]([O-])C1=CC(CO)=CC(Br)=C1 D83071 [0,2,0,0,0,0|1,0,1]=4 1133 B12R1.11 O=[N+]([O-])C1=CC(CO)=CC(Cl)=C1 C76556 [0,2,0,0,0,0|1,0,1]=4 1134 B12R1.11 OCC1=CC(B(O)O)=CC(F)=C1 N13017 [0,2,0,0,0,0|1,0,1]=4 1135 B12R1.511 CC(=O)C1=CC(Br)=CC(Br)=C1N F15013 [0,2,0,0,0,0|2,0,0]=4 1136 B12R1.511 CC1=C(Br)C=C(F)C=C1C(=O)O W17035 [0,2,0,0,0,0|1,0,0]=3 1137 B12R1.511 CC1=C(C(=O)O)C=C(Cl)N=C1Cl FD10673 [0,2,0,0,0,0|2,0,0]=4 1138 B12R1.511 CC1=C(Cl)C=C(Br)C=C1C(=O)O AT12535 [0,2,0,0,0,0|1,0,0]=3 1139 B12R1.511 CC1=C(Cl)C=C(F)C=C1C(=O)O C13388 [0,2,0,0,0,0|1,0,0]=3 1140 B12R1.511 CC1=C(F)C=C(Br)C=C1C(=O)O 55829 [0,2,0,0,0,0|1,0,0]=3 1141 B12R1.511 CC1=C(O)C=C(Br)C=C1C(=O)O F31181 [0,2,0,0,0,0|0,0,0]=2 1142 B12R1.511 CC1=CC(Br)=C(I)C(C(=O)O)=C1 W17365 [0,2,0,0,0,0|1,0,0]=3 1143 B12R1.511 CC1=CC(Br)=CC(C(=O)O)=C1F 88535 [0,2,0,0,0,0|1,0,0]=3 1144 B12R1.511 CC1=CC(Cl)=NC(C(=O)O)=C1N D93596 [0,2,0,0,0,0|2,0,0]=4 1145 B12R1.511 CC1=CC(F)=C(F)C(C(=O)O)=C1 35069 [0,2,0,0,0,0|1,0,0]=3 1146 B12R1.511 CC1=CC(F)=C(F)C(C(N)=O)=C1 98378 [0,2,0,0,0,0|2,0,0]=4 1147 B12R1.511 CC1=CC(F)=CC(C(=O)O)=C1Br D83243 [0,2,0,0,0,0|1,0,0]=3 1148 B12R1.511 CC1=CC(F)=CC(C(=O)O)=C1N D76769 [0,2,0,0,0,0|1,0,0]=3 1149 B12R1.511 CC1=CC([N+](=O)[O-])=C(O)C(O)=C1 D80979 [0,2,0,0,0,0|1,0,1]=4 1150 B12R1.511 NC(=O)C1=CC(F)=CC(I)=C1O D96926 [0,2,0,0,0,0|2,0,0]=4 1151 B12R1.511 NC1=C(Br)C=C(Cl)N=C1C(=O)O D97611 [0,2,0,0,0,0|2,0,0]=4 1152 B12R1.511 NC1=C(C(=O)O)C=C(Cl)N=C1Cl 52092 [0,2,0,0,0,0|2,0,0]=4 1153 B12R1.511 NC1=C(C(=O)O)N=C(Cl)C=C1Cl O10935 [0,2,0,0,0,0|2,0,0]=4 1154 B12R1.511 NC1=C(I)C=C(Cl)C=C1C(=O)O W17253 [0,2,0,0,0,0|1,0,0]=3 1155 B12R1.511 NC1=CC(C(=O)O)=C(O)C(N)=C1 22928 [0,2,0,0,0,0|1,0,0]=3 1156 B12R1.511 O=C(O)C1=C(O)C(Cl)=NC(Cl)=C1 27323 [0,2,0,0,0,0|2,0,0]=4 1157 B12R1.511 O=C(O)C1=CC(Br)=CC(F)=C1O AT11237 [0,2,0,0,0,0|1,0,0]=3 1158 B12R1.511 O=C(O)C1=CC(F)=CC(Br)=C1F C14898 [0,2,0,0,0,0|1,0,0]=3 1159 B12R1.511 O=C(O)C1=CC(F)=CC(F)=C1O 93351 [0,2,0,0,0,0|1,0,0]=3 1160 B12R1.511 O=C(O)C1=CC(I)=CC(Cl)=C1F 36888 [0,2,0,0,0,0|1,0,0]=3 1161 B12R1.511 O=C(O)C1=CC(I)=CC(I)=C1O D88046 [0,2,0,0,0,0|1,0,0]=3 1162 B12R1.511 O=[N+]([O-])C1=CC(Br)=CC(O)=C1O W13102 [0,2,0,0,0,0|1,0,1]=4 1163 B12R1.511 O=[N+]([O-])C1=CC(O)=CC(Cl)=C1F SC5111 [0,2,0,0,0,0|1,0,1]=4 1164 B12R1.128 CC1=CC(P(=O)(O)O)=C(N)C=C1 D83786 [0,2,0,0,0,0|2,0,0]=4 1165 B12R1.128 O=S(=O)(O)C1=C(O)C=CC(O)=C1 F20533 [0,2,0,0,0,0|1,0,0]=3 1166 B12R1.87 CCC1=C(Br)C=CC=C1C(=O)O W18407 [0,2,0,0,0,0|1,0,0]=3 1167 B12R1.87 CNC1=C(F)C=CC=C1C(=O)O N12920 [0,2,0,0,0,0|1,0,0]=3 1168 B12R1.87 COC1=C(Br)C=CC=C1C(C)=O F13154 [0,2,0,0,0,0|2,0,0]=4 1169 B12R1.87 COC1=C(Br)C=CC=C1C(N)=O C76534 [0,2,0,0,0,0|2,0,0]=4 1170 B12R1.87 COC1=C(Cl)C=CN=C1C(=O)O F11124 [0,2,0,0,0,0|2,0,0]=4 1171 B12R1.87 COC1=C(F)C=CC=C1C(C)=O F13156 [0,2,0,0,0,0|2,0,0]=4 1172 B12R1.440 COC1=C(C)C(B(O)O)=CC=C1 I12052 [0,2,0,0,0,0|1,0,1]=4 1173 B12R1.440 COC1=C(Cl)C(C(=O)O)=CC=N1 RB3386 [0,2,0,0,0,0|1,0,0]=3 1174 B12R1.440 COC1=C(O)C(C(=O)O)=NC=C1 F20157 [0,2,0,0,0,0|1,0,0]=3 1175 B12R1.440 COC1=CC=CC(C(C)=O)=C1N 11655 [0,2,0,0,0,0|1,0,0]=3 1176 B12R1.440 COC1=CC=CC(C(C)=O)=C1O P11508 [0,2,0,0,0,0|1,0,0]=3 1177 B12R1.440 COC1=CC=CC(C(N)=O)=C1N F15887 [0,2,0,0,0,0|1,0,0]=3 1178 B12R1.440 COC1=CC=NC(C(=O)O)=C1F D80860 [0,2,0,0,0,0|1,0,0]=3 1179 B12R1.440 COC1=NC=CC(C(=O)O)=C1C O10815 [0,2,0,0,0,0|1,0,0]=3 1180 B12R1.440 COC1=NC=CC(C(=O)O)=C1N 82990 [0,2,0,0,0,0|1,0,0]=3 1181 B12R1.440 COC1=NC=CC(C(N)=O)=C1N F50941 [0,2,0,0,0,0|2,0,0]=4 1182 B12R1.440 CSC1=C(O)C(C(=O)O)=CC=C1 W17087 [0,2,0,0,0,0|0,1,0]=3 1183 B12R1.440 N#CC1=C(Cl)C(C(=O)O)=CC=C1 C13929 [0,2,0,0,0,0|1,0,0]=3 1184 B12R1.440 N#CC1=C(F)C(C(=O)O)=CC=C1 22679 [0,2,0,0,0,0|1,0,0]=3 1185 B12R1.440 N#CC1=CC=CC(C(=O)O)=C1O 77993 [0,2,0,0,0,0|1,0,0]=3 1186 B12R1.440 NC1=C(C(=O)O)C=CC=C1C=O 55044 [0,2,0,0,0,0|0,0,1]=3 1187 B12R1.440 O=C(O)C1=C(F)C(CO)=CC=C1 35126 [0,2,0,0,0,0|0,0,0]=2 1188 B12R1.440 O=CC1=CC=CC(C(=O)O)=C1Br D79952 [0,2,0,0,0,0|0,0,1]=3 1189 B12R1.440 O=CC1=CC=CC(C(=O)O)=C1F C11207 [0,2,0,0,0,0|0,0,1]=3 1190 B12R1.440 O=CC1=CC=CC(C(=O)O)=C1O C13277 [0,2,0,0,0,0|0,0,1]=3 1191 B12R1.440 O=[N+]([O-])C1=C(F)C(CO)=CC=C1 26157 [0,2,0,0,0,0|1,0,1]=4 1192 B12R1.894 CC(=O)C1=C(Cl)C=CC(F)=C1F E70350 [0,2,0,0,0,0|2,0,0]=4 1193 B12R1.894 CC1=C(Br)C=CC(F)=C1C(=O)O 74625 [0,2,0,0,0,0|1,0,0]=3 1194 B12R1.894 CC1=C(Br)C=CC(N)=C1C(=O)O C71962 [0,2,0,0,0,0|1,0,0]=3 1195 B12R1.894 CC1=C(Br)C=NC(N)=C1C(=O)O F20034 [0,2,0,0,0,0|2,0,0]=4 1196 B12R1.894 CC1=C(C(=O)O)C(F)=C(Br)C=C1 D80937 [0,2,0,0,0,0|1,0,0]=3 1197 B12R1.894 CC1=C(C(=O)O)C(N)=C(F)C=C1 72128 [0,2,0,0,0,0|1,0,0]=3 1198 B12R1.894 CC1=C(F)C(C(=O)O)=C(I)C=C1 90582 [0,2,0,0,0,0|1,0,0]=3 1199 B12R1.894 CC1=CC=C(C)C(C(=O)O)=C1N 78661 [0,2,0,0,0,0|1,0,0]=3 1200 B12R1.894 CC1=CC=C(F)C(C(=O)O)=C1Br N12259 [0,2,0,0,0,0|1,0,0]=3 1201 B12R1.894 CC1=CC=C(F)C(F)=C1C(=O)O 95584 [0,2,0,0,0,0|1,0,0]=3 1202 B12R1.894 NC(=O)C1=C(I)C=CC(Br)=C1F W11910 [0,2,0,0,0,0|2,0,0]=4 1203 B12R1.894 NC1=C(C(=O)O)C(Br)=C(I)C=C1 94239 [0,2,0,0,0,0|1,0,0]=3 1204 B12R1.894 NC1=C(C(=O)O)C(F)=C(Br)C=C1 79998 [0,2,0,0,0,0|1,0,0]=3 1205 B12R1.894 NC1=C(C(=O)O)C(F)=C(Cl)C=C1 C91478 [0,2,0,0,0,0|1,0,0]=3 1206 B12R1.894 NC1=C(F)C=CC(Br)=C1C(=O)O F50736 [0,2,0,0,0,0|1,0,0]=3 1207 B12R1.894 NC1=C(F)C=CC(Cl)=C1C(=O)O W16945 [0,2,0,0,0,0|1,0,0]=3 1208 B12R1.894 NC1=C(F)C=CC(F)=C1C(=O)O F11053 [0,2,0,0,0,0|1,0,0]=3 1209 B12R1.894 NC1=CC=C(Cl)C(Br)=C1C(=O)O C76067 [0,2,0,0,0,0|1,0,0]=3 1210 B12R1.894 NC1=CC=C(Cl)C(Cl)=C1C(=O)O C90815 [0,2,0,0,0,0|1,0,0]=3 1211 B12R1.894 NC1=CC=C(F)C(Br)=C1C(=O)O F53350 [0,2,0,0,0,0|1,0,0]=3 1212 B12R1.894 O=C(O)C1=C(Br)C=CC(F)=C1F 89226 [0,2,0,0,0,0|1,0,0]=3 1213 B12R1.894 O=C(O)C1=C(Cl)C=CC(Br)=C1Cl 39188 [0,2,0,0,0,0|1,0,0]=3 1214 B12R1.894 O=C(O)C1=C(F)C(Cl)=NC=C1Cl 90319 [0,2,0,0,0,0|2,0,0]=4 1215 B12R1.894 O=C(O)C1=C(F)C(F)=CC=C1O O10572 [0,2,0,0,0,0|1,0,0]=3 1216 B12R1.894 O=C(O)C1=C(F)C=CC(O)=C1O P16935 [0,2,0,0,0,0|0,0,0]=2 1217 B12R1.894 O=C(O)C1=C(O)C=CC(Br)=C1O C74385 [0,2,0,0,0,0|1,0,0]=3 1218 B12R1.894 OB(O)C1=C(F)C=CC(O)=C1Cl N12116 [0,2,0,0,0,0|1,0,1]=4 1219 B12R1.46 COC1=C(C(=O)O)C=C(C)C=N1 D71991 [0,2,0,0,0,0|2,0,0]=4 1220 B12R1.46 COC1=C(C(=O)O)C=C(N)C=C1 A12433 [0,2,0,0,0,0|1,0,0]=3 1221 B12R1.46 COC1=C(C(=O)O)C=C(O)C=C1 D95032 [0,2,0,0,0,0|0,0,0]=2 1222 B12R1.46 COC1=C(C(=O)O)N=C(Br)C=C1 C72022 [0,2,0,0,0,0|2,0,0]=4 1223 B12R1.46 N#CC1=C([N+](=O)[O-])C=C(O)C=C1 C71332 [0,2,0,0,0,0|1,0,1]=4 1224 B12R1.46 O=CC1=C(C(=O)O)C=C(Br)C=C1 94689 [0,2,0,0,0,0|1,0,0]=3 1225 B12R1.46 O=CC1=C([N+](=O)[O-])C=C(O)C=C1 C77050 [0,2,0,0,0,0|1,0,1]=4 1226 B12R1.46 O=[N+]([O-])C1=C(CO)C=CC(O)=C1 C76783 [0,2,0,0,0,0|1,0,1]=4 1227 B12R1.453 CC1=C(C(=O)O)C=C(C#N)C=C1 AB10107 [0,2,0,0,0,0|1,0,0]=3 1228 B12R1.453 CC1=C(C(=O)O)C=C(C=O)C=C1 CL9400 [0,2,0,0,0,0|0,0,1]=3 1229 B12R1.453 CCC1=CC(C(=O)O)=C(N)C=C1 C74274 [0,2,0,0,0,0|1,0,0]=3 1230 B12R1.453 COC1=CC(B(O)O)=C(C)C=C1 O10130 [0,2,0,0,0,0|1,0,1]=4 1231 B12R1.453 COC1=CC(C(=O)O)=C(Cl)C=N1 27468 [0,2,0,0,0,0|1,0,0]=3 1232 B12R1.453 COC1=CC(C(=O)O)=C(N)C=N1 29049 [0,2,0,0,0,0|1,0,0]=3 1233 B12R1.453 COC1=CC=C(N)C(C(=O)O)=N1 D78274 [0,2,0,0,0,0|1,0,0]=3 1234 B12R1.453 COC1=CC=C(N)C(C(N)=O)=N1 F50942 [0,2,0,0,0,0|2,0,0]=4 1235 B12R1.453 COC1=CN=C(Cl)C(C(=O)O)=C1 38951 [0,2,0,0,0,0|1,0,0]=3 1236 B12R1.453 COC1=CN=C(N)C(C(=O)O)=N1 N11834 [0,2,0,0,0,0|2,0,0]=4 1237 B12R1.453 COC1=NC(C(=O)O)=C(Br)C=C1 C71659 [0,2,0,0,0,0|1,0,0]=3 1238 B12R1.453 N#CC1=CC(C(=O)O)=C(Br)C=C1 CL9198 [0,2,0,0,0,0|1,0,0]=3 1239 B12R1.453 N#CC1=CC(C(=O)O)=C(Cl)C=C1 20919 [0,2,0,0,0,0|1,0,0]=3 1240 B12R1.453 N#CC1=CC(C(=O)O)=C(I)C=C1 72432 [0,2,0,0,0,0|1,0,0]=3 1241 B12R1.453 NC(=O)C1=C(O)C=CC(C=O)=C1 P16788 [0,2,0,0,0,0|1,0,1]=4 1242 B12R1.453 NCC1=CC(C(=O)O)=C(O)C=C1 50734 [0,2,0,0,0,0|1,0,0]=3 1243 B12R1.453 O=C(O)C1=C(F)C=CC(CO)=C1 C11410 [0,2,0,0,0,0|0,0,0]=2 1244 B12R1.453 O=C([O-])C1=C([O-])C=CC(CO)=C1 Y11412 [0,2,0,0,0,0|0,0,1]=3 1245 B12R1.453 O=CC1=CC(C(=O)O)=C(Br)C=C1 D83958 [0,2,0,0,0,0|0,0,1]=3 1246 B12R1.453 O=[N+]([O-])C1=C(Br)C=CC(CO)=C1 AB14524 [0,2,0,0,0,0|1,0,1]=4 1247 B12R1.258 CC(=O)C1=CC(C(C)C)=CC=C1 C75047 [0,2,0,0,0,0|2,0,0]=4 1248 B12R1.258 CC(=O)C1=CC([C@H](C)N)=CC=C1 Y10892 [0,2,0,0,0,0|2,0,0]=4 1249 B12R1.258 CC(=O)C1=CC([C@H](C)N)=CC=C1 Y12206 [0,2,0,0,0,0|2,0,0]=4 1250 B12R1.258 CC(=O)C1=CC([C@H](C)N)=CC=C1 Y13403 [0,2,0,0,0,0|2,0,0]=4 1251 B12R1.258 CC(=O)C1=CC=CC(C(=O)O)=N1 50400 [0,2,0,0,0,0|1,0,1]=4 1252 B12R1.258 CC(C)C1=CC(C(=O)O)=CN=C1 D84203 [0,2,0,0,0,0|2,0,0]=4 1253 B12R1.258 CC(C)C1=CC=CC(C(=O)O)=N1 39140 [0,2,0,0,0,0|2,0,0]=4 1254 B12R1.258 CC(C)C1=NC=CC(C(=O)O)=C1 F52821 [0,2,0,0,0,0|2,0,0]=4 1255 B12R1.258 CN(C)C1=NC=CC(C(=O)O)=C1 D94796 [0,2,0,0,0,0|2,0,0]=4 1256 B12R1.258 C[C@H](N)C1=CC=CC(C(=O)O)=C1 F53645 [0,2,0,0,0,0|1,0,0]=3 1257 B12R1.258 C[C@H](N)C1=CC=CC(C(=O)O)=C1 Y11777 [0,2,0,0,0,0|1,0,0]=3 1258 B12R1.258 C[C@H](N)C1=CC=CC(C(=O)O)=C1 Y11778 [0,2,0,0,0,0|1,0,0]=3 1259 B12R1.258 C[C@H](N)C1=CC=CC(C(=O)O)=C1 Y12481 [0,2,0,0,0,0|1,0,0]=3 1260 B12R1.258 C[C@H](O)C1=CC=CC([N+](=O)[O-])=C1 D79239 [0,2,0,0,0,0|1,0,1]=4 1261 B12R1.258 NC(=O)C1=CC=CC(C(=O)O)=C1 C75212 [0,2,0,0,0,0|0,0,1]=3 1262 B12R1.258 O=C(O)C1=CC(C(F)F)=NC=C1 69163 [0,2,0,0,0,0|2,0,0]=4 1263 B12R1.258 O=C(O)C1=CC=CC([N+](=O)[O-])=N1 24960 [0,2,0,0,0,0|1,0,1]=4 1264 B12R1.258 O=C(O)C1=CN=CC(B(O)O)=C1 AC7234 [0,2,0,0,0,0|1,0,0]=3 1265 B12R1.258 O=C(O)C1=CN=CC(C(=O)O)=N1 A10549 [0,2,0,0,0,0|2,0,0]=4 1266 B12R1.279 C=CCC1=CC=CC(C(=O)O)=C1 D93325 [0,2,0,0,0,0|1,0,0]=3 1267 B12R1.279 CCOC1=CC(C(=O)O)=NC=C1 N11850 [0,2,0,0,0,0|1,0,0]=3 1268 B12R1.279 CCOC1=CC=CC(C(=O)O)=N1 D96815 [0,2,0,0,0,0|1,0,0]=3 1269 B12R1.279 COCC1=CC=CC(C(=O)O)=C1 71345 [0,2,0,0,0,0|0,0,0]=2 1270 B12R1.279 COCC1=CC=CC(C(=O)O)=N1 D96526 [0,2,0,0,0,0|1,0,0]=3 1271 B12R1.279 O=C(O)C1=CC(CCO)=CC=C1 79460 [0,2,0,0,0,0|0,0,0]=2 1272 B12R1.279 O=C(O)C1=NC=CC(CCO)=C1 F52484 [0,2,0,0,0,0|1,0,0]=3 1273 B12R1.279 O=[N+]([O-])C1=CC(CCO)=CC=C1 A50688 [0,2,0,0,0,0|1,0,1]=4 1274 B12R1.279 OCCC1=CC(B(O)O)=CC=C1 F30067 [0,2,0,0,0,0|1,0,1]=4 1275 B12R1.279 O\N=C\C1=CC(B(O)O)=CC=C1 I12276 [0,2,0,0,0,0|1,0,1]=4 1276 B10R1.23 O=C(O)C(=O)C1=CC=CO1 D77791 [0,0,1,1,0,0|1,0,0]=3 1277 B10R1.66 O=C(O)\C=C\C1=NC=CS1 AC7829 [0,0,1,1,0,0|1,1,0]=4 1278 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [1,0,0,1,0,0|1,0,0]=3 1279 B12R2.202 CC1=CC=CC2=C1N=C(O)S2 F15065 [0,0,0,1,0,1|2,0,0]=4 1280 B12R2.202 CC1=CC=CC2=C1OC(=O)N2 F20152 [0,0,0,1,0,1|1,0,0]=3 1281 B12R2.202 CC1=NC2=C(C=CC=C2O)S1 D84739 [0,0,0,1,0,1|2,0,0]=4 1282 B12R2.202 CC1=NC2=C(O)C=CC=C2N1 W10564 [0,0,0,1,0,1|2,0,0]=4 1283 B12R2.202 ClC1=NC2=CC=CC(Cl)=C2O1 AC7018 [0,0,0,1,0,1|2,0,0]=4 1284 B12R2.202 FC1=CC=CC2=C1OC(S)=N2 AC4468 [0,0,0,1,0,1|1,1,0]=4 1285 B12R2.202 NC1=CC=CC2=C1CC(=O)N2 82071 [0,0,0,1,0,1|2,0,0]=4 1286 B12R2.202 NC1=CC=CC2=C1NC(=O)C2 D80850 [0,0,0,1,0,1|2,0,0]=4 1287 B12R2.202 NC1=CC=CC2=C1NC(O)=N2 W18048 [0,0,0,1,0,1|2,0,0]=4 1288 B12R2.202 NC1=CC=CC2=C1OC(=O)N2 70907 [0,0,0,1,0,1|1,0,0]=3 1289 B12R2.202 NC1=NC2=C(C=CC=C2O)O1 C77367 [0,0,0,1,0,1|2,0,0]=4 1290 B12R2.202 NC1=NC2=CC=CC(Br)=C2O1 F10223 [0,0,0,1,0,1|2,0,0]=4 1291 B12R2.202 NC1=NC2=CC=CC(O)=C2S1 P12369 [0,0,0,1,0,1|1,1,0]=4 1292 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 38087 [0,0,0,1,0,1|2,0,0]=4 1293 B12R2.202 O=C1CC2=CC=CC(Cl)=C2C1 27432 [0,0,0,1,0,1|2,0,0]=4 1294 B12R2.202 O=C1CC2=CC=CC(F)=C2C1 I11355 [0,0,0,1,0,1|2,0,0]=4 1295 B12R2.202 O=C1NC2=C(Cl)C=CC=C2S1 F15046 [0,0,0,1,0,1|2,0,0]=4 1296 B12R2.202 O=C1NC2=CC=CC(Br)=C2N1 C91054 [0,0,0,1,0,1|2,0,0]=4 1297 B12R2.202 O=C1NC2=CC=CC(Br)=C2O1 36174 [0,0,0,1,0,1|1,0,0]=3 1298 B12R2.202 O=C1NC2=CC=CC(Br)=C2S1 C71607 [0,0,0,1,0,1|1,1,0]=4 1299 B12R2.202 O=C1NC2=CC=CC(F)=C2N1 C74328 [0,0,0,1,0,1|2,0,0]=4 1300 B12R2.202 OC1=CC=CC2=C1N=C(Br)S2 O10699 [0,0,0,1,0,1|2,0,0]=4 1301 B12R2.202 OC1=CC=CC2=C1SC(Cl)=N2 P15336 [0,0,0,1,0,1|1,1,0]=4 1302 B12R2.202 SC1=NC2=CC=CC(Cl)=C2O1 AC6282 [0,0,0,1,0,1|1,1,0]=4 1303 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 F21500 [0,0,0,1,0,1|2,0,0]=4 1304 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 F15190 [0,0,0,1,0,1|2,0,0]=4 1305 B12R2.606 CC1=NC2=C(C=CC(N)=C2)O1 78609 [0,0,0,1,0,1|2,0,0]=4 1306 B12R2.606 CC1=NC2=C(C=CC(O)=C2)N1 C75100 [0,0,0,1,0,1|2,0,0]=4 1307 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 I10199 [0,0,0,1,0,1|1,0,0]=3 1308 B12R2.606 ClC1=NC2=C(C=CC(Br)=C2)O1 36068 [0,0,0,1,0,1|2,0,0]=4 1309 B12R2.606 FC1=CC2=C(C=C1)OC(Cl)=N2 F30138 [0,0,0,1,0,1|2,0,0]=4 1310 B12R2.606 NC1=CC2=C(C=C1)CC(=O)C2 88115 [0,0,0,1,0,1|2,0,0]=4 1311 B12R2.606 NC1=CC2=C(C=C1)OC(=O)C2 D82169 [0,0,0,1,0,1|1,0,0]=3 1312 B12R2.606 NC1=NC2=C(C=C(O)C=C2)S1 AB8010 [0,0,0,1,0,1|2,0,0]=4 1313 B12R2.606 NC1=NC2=C(C=CC(O)=C2)N1 C75402 [0,0,0,1,0,1|2,0,0]=4 1314 B12R2.606 NC1=NC2=C(C=CC(O)=C2)S1 P10163 [0,0,0,1,0,1|1,1,0]=4 1315 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)C1 26376 [0,0,0,1,0,1|2,0,0]=4 1316 B12R2.606 O=C1CC2=C(C=C(F)C=C2)C1 53683 [0,0,0,1,0,1|2,0,0]=4 1317 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 F30698 [0,0,0,1,0,1|2,0,0]=4 1318 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)O1 D78722 [0,0,0,1,0,1|1,0,0]=3 1319 B12R2.606 O=C1NC2=C(C=C(F)C=C2)N1 24744 [0,0,0,1,0,1|2,0,0]=4 1320 B12R2.606 O=C1NC2=C(C=C(I)C=C2)N1 A12501 [0,0,0,1,0,1|2,0,0]=4 1321 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)S1 27037 [0,0,0,1,0,1|1,1,0]=4 1322 B12R2.606 O=C1NC2=C(C=CC(Br)=N2)O1 AC2056 [0,0,0,1,0,1|2,0,0]=4 1323 B12R2.606 O=C1NC2=C(C=CC(O)=C2)O1 D83229 [0,0,0,1,0,1|0,0,0]=2 1324 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 C75325 [0,0,0,1,0,1|0,1,0]=3 1325 B12R2.606 OC1=CC2=C(C=C1)N=C(S)N2 W18405 [0,0,0,1,0,1|1,1,0]=4 1326 B12R2.606 OC1=CC2=C(C=C1)SC(Cl)=N2 C72085 [0,0,0,1,0,1|1,1,0]=4 1327 B12R2.606 OC1=NC2=C(C=C(F)C=C2)S1 F15029 [0,0,0,1,0,1|2,0,0]=4 1328 B12R2.1384 O=C(O)C1=CC2=C(C=C1)CC2 67661 [0,1,0,1,0,0|1,0,0]=3 1329 B12R2.132 CC1=C2C=C(Cl)C=CC2=NO1 C75084 [0,1,0,1,0,0|2,0,0]=4 1330 B12R2.132 CC1=CC2=C(C=C1)OCC2=O N12808 [0,1,0,1,0,0|1,0,0]=3 1331 B12R2.132 CC1=CC2=C(C=C1)ONC2=O C76060 [0,1,0,1,0,0|1,0,0]=3 1332 B12R2.132 CC1=NOC2=C1C=C(N)C=C2 27530 [0,1,0,1,0,0|2,0,0]=4 1333 B12R2.132 ClC1=CC2=C(C=C1)ON=C2Cl C73123 [0,1,0,1,0,0|2,0,0]=4 1334 B12R2.132 ClC1=NOC2=C1C=C(Br)C=C2 F19599 [0,1,0,1,0,0|2,0,0]=4 1335 B12R2.132 FC1=CC2=C(C=C1)ON=C2Cl O10983 [0,1,0,1,0,0|2,0,0]=4 1336 B12R2.132 NC1=CC2=C(C=C1)ONC2=O C76344 [0,1,0,1,0,0|1,0,0]=3 1337 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 24739 [0,1,0,1,0,0|1,0,0]=3 1338 B12R2.132 O=C1COC2=C1C=C(O)C=C2 P16901 [0,1,0,1,0,0|0,0,0]=2 1339 B12R2.132 O=C1CSC2=C1C=C(Br)C=C2 F11126 [0,1,0,1,0,0|1,1,0]=4 1340 B12R2.132 O=C1NCC2=C1C=C(F)C=C2 84532 [0,1,0,1,0,0|2,0,0]=4 1341 B12R2.132 O=C1NCC2=C1C=C(I)C=C2 87915 [0,1,0,1,0,0|2,0,0]=4 1342 B12R2.132 O=C1NCC2=C1C=C(O)C=C2 82363 [0,1,0,1,0,0|1,0,0]=3 1343 B12R2.132 O=C1NOC2=C1C=C(Br)C=C2 27739 [0,1,0,1,0,0|1,0,0]=3 1344 B12R2.132 O=C1NSC2=C1C=C(Br)C=C2 F30839 [0,1,0,1,0,0|1,1,0]=4 1345 B12R2.132 O=C1OCC2=C1C=C(Cl)C=C2 76358 [0,1,0,1,0,0|1,0,0]=3 1346 B12R2.132 O=C1OCC2=C1C=C(F)C=C2 Y10487 [0,1,0,1,0,0|1,0,0]=3 1347 B12R2.132 O=C1OCC2=C1C=C(I)C=C2 82366 [0,1,0,1,0,0|1,0,0]=3 1348 B12R2.132 OB1OCC2=C1C=C(O)C=C2 F12770 [0,1,0,1,0,0|1,0,1]=4 1349 B12R2.132 OC1=CC2=C(C=C1)NN=C2Cl AC1756 [0,1,0,1,0,0|2,0,0]=4 1350 B12R2.132 OC1=NNC2=C1C=C(Br)C=C2 67466 [0,1,0,1,0,0|2,0,0]=4 1351 B12R2.132 OC1=NNC2=C1C=C(I)C=C2 83259 [0,1,0,1,0,0|2,0,0]=4 1352 B12R2.196 CC1=CC=CC2=C1CNC2=O 80956 [0,1,0,1,0,0|2,0,0]=4 1353 B12R2.196 CC1=NOC2=C(Br)C=CC=C12 AC8269 [0,1,0,1,0,0|2,0,0]=4 1354 B12R2.196 ClC1=NOC2=C(Br)C=CC=C12 D75918 [0,1,0,1,0,0|2,0,0]=4 1355 B12R2.196 O=C1COC2=C(Cl)C=CC=C12 AT10339 [0,1,0,1,0,0|1,0,0]=3 1356 B12R2.196 O=C1NCC2=C(Cl)C=CC=C12 F17918 [0,1,0,1,0,0|2,0,0]=4 1357 B12R2.196 O=C1NCC2=C(F)C=CC=C12 94869 [0,1,0,1,0,0|2,0,0]=4 1358 B12R2.196 O=C1NCC2=C1C=CC=C2O 52838 [0,1,0,1,0,0|1,0,0]=3 1359 B12R2.196 O=C1OCC2=C(F)C=CC=C12 89370 [0,1,0,1,0,0|1,0,0]=3 1360 B12R2.196 O=C1OCC2=C1C=CC=C2O 76130 [0,1,0,1,0,0|0,0,0]=2 1361 B8R1.1 CC1=CC(C=O)=CS1 P15425 [1,0,0,0,1,0|2,0,0]=4 1362 B8R1.1 CC1=CC=C(C=O)N1 29847 [1,0,0,0,1,0|2,0,0]=4 1363 B8R1.1 CC1=CNC(C=O)=C1 D84258 [1,0,0,0,1,0|2,0,0]=4 1364 B8R1.1 CN1C=CC(C=O)=C1 AT16322 [1,0,0,0,1,0|2,0,0]=4 1365 B8R1.1 O=CC1=CC(I)=CS1 Y10451 [1,0,0,0,1,0|2,0,0]=4 1366 B8R1.1 O=CC1=CC=C(Br)N1 O11353 [1,0,0,0,1,0|2,0,0]=4 1367 B8R1.1 O=CC1=CC=C(Cl)N1 D95169 [1,0,0,0,1,0|2,0,0]=4 1368 B8R1.1 O=CC1=CNC(Br)=C1 F13792 [1,0,0,0,1,0|2,0,0]=4 1369 B8R1.1 O=CC1=CSC(Br)=C1 P10686 [1,0,0,0,1,0|2,0,0]=4 1370 B8R1.1 O=CC1=CSC(Cl)=C1 37628 [1,0,0,0,1,0|2,0,0]=4 1371 B8R1.11 CC1=CSC=C1C=O P16095 [1,0,0,0,1,0|2,0,0]=4 1372 B8R1.11 O=CC1=C(Br)C=CN1 P11326 [1,0,0,0,1,0|2,0,0]=4 1373 B8R1.11 O=CC1=C(Br)SC=C1 57105 [1,0,0,0,1,0|2,0,0]=4 1374 B8R1.11 O=CC1=C(Cl)SC=C1 A11316 [1,0,0,0,1,0|2,0,0]=4 1375 B8R1.11 O=CC1=C(I)SC=C1 C73596 [1,0,0,0,1,0|2,0,0]=4 1376 B8R1.7 O=C(O)C1=CSN=C1 83094 [1,0,0,0,1,0|2,0,0]=4 1377 B8R1.7 O=C(O)C1=NSC=C1 83207 [1,0,0,0,1,0|2,0,0]=4 1378 B10R1.18 BrC(Br)=CC1=CC=CC=C1 31017 [1,0,0,0,0,1|2,0,0]=4 1379 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [1,0,0,0,0,1|2,0,0]=4 1380 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [1,0,0,0,0,1|1,0,0]=3 1381 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [1,0,0,0,0,1|2,0,0]=4 1382 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [1,0,0,0,0,1|1,1,0]=4 1383 B10R1.18 O=C(O)CC1=CN=CN=C1 24619 [1,0,0,0,0,1|2,0,0]=4 1384 B12R1.226 CC(=O)SCC1=CC=CC(I)=C1 21164 [0,0,0,0,0,2|2,0,0]=4 1385 B12R1.226 CC1=CC(CCC(=O)O)=CN=C1 72580 [0,0,0,0,0,2|2,0,0]=4 1386 B12R1.226 CC1=CC=CC(CCC(=O)O)=N1 71538 [0,0,0,0,0,2|2,0,0]=4 1387 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=N1 W18216 [0,0,0,0,0,2|2,0,0]=4 1388 B12R1.226 CC1=NC=CC(CCC(=O)O)=C1 72670 [0,0,0,0,0,2|2,0,0]=4 1389 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 AT20412 [0,0,0,0,0,2|1,0,0]=3 1390 B12R1.226 O=C(O)C#CC1=CC=CC(F)=C1 W19721 [0,0,0,0,0,2|1,0,0]=3 1391 B12R1.226 O=C(O)CCC1=NC=CC(F)=C1 73058 [0,0,0,0,0,2|2,0,0]=4 1392 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 C75087 [0,0,0,0,0,2|1,0,0]=3