0 B8R1.7 CC(=O)C1=CC=CN1 F14878 [0,0,0,0,0,0|0,0,0]=0 1 B8R1.7 CC(=O)C1=CC=CO1 55774 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.7 CC(=O)C1=CC=CS1 W18336 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.7 CC(=O)C1=CCC=C1 TD8050 [0,0,0,0,0,0|1,0,1]=2 4 B8R1.7 CC(=O)C1=CNC=C1 30137 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.7 CC(=O)C1=CNC=N1 50330 [0,0,0,0,0,0|1,0,1]=2 6 B8R1.7 CC(=O)C1=COC=C1 N12485 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.7 CC(=O)C1=CSC=C1 50448 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.7 CC(=O)C1=CSC=N1 23438 [0,0,0,0,0,0|1,0,1]=2 9 B8R1.7 CC(=O)C1=NC=CN1 50314 [0,0,0,0,0,0|1,0,0]=1 10 B8R1.7 CC(=O)C1=NC=CS1 F11223 [0,0,0,0,0,0|1,0,1]=2 11 B8R1.7 CC(=O)C1=NCCS1 50518 [0,0,0,0,0,0|1,0,3]=4 12 B8R1.7 CC(=O)C1=NNC=C1 36103 [0,0,0,0,0,0|1,0,1]=2 13 B8R1.7 CC(=O)C1=NNC=C1 D94907 [0,0,0,0,0,0|1,0,1]=2 14 B8R1.7 CC(=O)N1C=CC=N1 65440 [0,0,0,0,0,0|1,0,1]=2 15 B8R1.7 CC(=O)N1C=CN=C1 44451 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.7 CC(C)=C1C=CC=C1 A10651 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.7 CC(C)C1=NC=CN1 AC7942 [0,0,0,0,0,0|2,0,1]=3 18 B8R1.7 CC(C)C1=NNC=C1 84161 [0,0,0,0,0,0|2,0,2]=4 19 B8R1.7 CC(C)N1C=CC=N1 29359 [0,0,0,0,0,0|2,0,2]=4 20 B8R1.7 C[C@H](N)C1=CC=CS1 F50504 [0,0,0,0,0,0|2,0,1]=3 21 B8R1.7 C[C@H](N)C1=COC=C1 N12469 [0,0,0,0,0,0|3,0,1]=4 22 B8R1.7 C[C@H](N)C1=CSC=N1 N12430 [0,0,0,0,0,0|2,0,2]=4 23 B8R1.7 C[C@H](N)C1=NC=CS1 30731 [0,0,0,0,0,0|2,0,2]=4 24 B8R1.7 C[C@H](N)C1=NC=CS1 SC2951 [0,0,0,0,0,0|2,0,2]=4 25 B8R1.7 C[C@H](O)C1=CC=CO1 C74444 [0,0,0,0,0,0|1,0,2]=3 26 B8R1.7 C[C@H](O)C1=CCC=C1 F13266 [0,0,0,0,0,0|1,0,3]=4 27 B8R1.7 C[C@H](O)C1=NC=CS1 AT14680 [0,0,0,0,0,0|1,0,3]=4 28 B8R1.7 N=C(N)C1=NC=CS1 25076 [0,0,0,0,0,0|3,0,1]=4 29 B8R1.7 N=C(N)N1C=CC=N1 71165 [0,0,0,0,0,0|3,0,1]=4 30 B8R1.7 NC(=O)C1=CC=CN1 D83540 [0,0,0,0,0,0|1,0,0]=1 31 B8R1.7 NC(=O)C1=CC=CO1 A51100 [0,0,0,0,0,0|2,0,0]=2 32 B8R1.7 NC(=O)C1=CC=CS1 D85795 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.7 NC(=O)C1=CN=CN1 29927 [0,0,0,0,0,0|2,0,0]=2 34 B8R1.7 NC(=O)C1=CNC=N1 S10625 [0,0,0,0,0,0|2,0,1]=3 35 B8R1.7 NC(=O)C1=CNN=C1 88190 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.7 NC(=O)C1=CSC=N1 W10298 [0,0,0,0,0,0|2,0,1]=3 37 B8R1.7 NC(=O)C1=NC=CN1 O10408 [0,0,0,0,0,0|2,0,0]=2 38 B8R1.7 NC(=O)C1=NC=CO1 74132 [0,0,0,0,0,0|2,0,1]=3 39 B8R1.7 NC(=O)C1=NC=NN1 F14916 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.7 NC(=O)C1=NNC=C1 CL3448 [0,0,0,0,0,0|2,0,1]=3 41 B8R1.7 NC(=O)C1CC=CC1 O11713 [0,0,0,0,0,0|2,0,2]=4 42 B8R1.7 NC(=S)C1=CC=CS1 77511 [0,0,0,0,0,0|2,1,0]=3 43 B8R1.7 NC(=S)C1=CNC=N1 BL007545 [0,0,0,0,0,0|2,1,1]=4 44 B8R1.7 NC(=S)C1=CSC=N1 24426 [0,0,0,0,0,0|2,1,1]=4 45 B8R1.7 O=C(Cl)C1=CC=CS1 D78154 [0,0,0,0,0,0|2,0,0]=2 46 B8R1.7 O=C(Cl)C1=CC=NO1 D82349 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.7 O=C(O)C1=CC=CN1 33105 [0,0,0,0,0,0|1,0,0]=1 48 B8R1.7 O=C(O)C1=CC=CS1 D70571 [0,0,0,0,0,0|2,0,0]=2 49 B8R1.7 O=C(O)C1=CC=NO1 28558 [0,0,0,0,0,0|3,0,0]=3 50 B8R1.7 O=C(O)C1=CC=NS1 62856 [0,0,0,0,0,0|3,0,0]=3 51 B8R1.7 O=C(O)C1=CCC=C1 36684 [0,0,0,0,0,0|2,0,1]=3 52 B8R1.7 O=C(O)C1=CCCC1 C10074 [0,0,0,0,0,0|2,0,2]=4 53 B8R1.7 O=C(O)C1=CN=CO1 80167 [0,0,0,0,0,0|3,0,0]=3 54 B8R1.7 O=C(O)C1=CN=CS1 69866 [0,0,0,0,0,0|3,0,0]=3 55 B8R1.7 O=C(O)C1=CNC=C1 65414 [0,0,0,0,0,0|3,0,0]=3 56 B8R1.7 O=C(O)C1=CNC=N1 69188 [0,0,0,0,0,0|2,0,1]=3 57 B8R1.7 O=C(O)C1=CNN=C1 65412 [0,0,0,0,0,0|4,0,0]=4 58 B8R1.7 O=C(O)C1=COC=C1 83420 [0,0,0,0,0,0|3,0,0]=3 59 B8R1.7 O=C(O)C1=COC=N1 64870 [0,0,0,0,0,0|2,0,1]=3 60 B8R1.7 O=C(O)C1=COCC1 60301 [0,0,0,0,0,0|3,0,1]=4 61 B8R1.7 O=C(O)C1=CON=C1 25393 [0,0,0,0,0,0|4,0,0]=4 62 B8R1.7 O=C(O)C1=CSC=C1 P17867 [0,0,0,0,0,0|3,0,0]=3 63 B8R1.7 O=C(O)C1=CSC=N1 83445 [0,0,0,0,0,0|2,0,1]=3 64 B8R1.7 O=C(O)C1=CSN=N1 71069 [0,0,0,0,0,0|3,0,1]=4 65 B8R1.7 O=C(O)C1=NC=CN1 CL2211 [0,0,0,0,0,0|2,0,0]=2 66 B8R1.7 O=C(O)C1=NC=CS1 29143 [0,0,0,0,0,0|2,0,1]=3 67 B8R1.7 O=C(O)C1=NNC=C1 CL3512 [0,0,0,0,0,0|2,0,1]=3 68 B8R1.7 O=C(O)C1=NNC=N1 F14915 [0,0,0,0,0,0|3,0,1]=4 69 B8R1.7 O=C(O)C1=NOC=C1 24572 [0,0,0,0,0,0|2,0,1]=3 70 B8R1.7 O=C(O)C1=NON=C1 23711 [0,0,0,0,0,0|3,0,1]=4 71 B8R1.7 O=C(O)C1CC=CC1 68357 [0,0,0,0,0,0|2,0,2]=4 72 B8R1.7 O=C(O)[C-]1C=CC=C1 D77984 [0,0,0,0,0,0|2,0,1]=3 73 B8R1.7 O=C(O)[C@@H]1C=CCN1 60104 [0,0,0,0,0,0|1,0,2]=3 74 B8R1.7 O=C(O)[C@@H]1C=CCN1 60105 [0,0,0,0,0,0|1,0,2]=3 75 B8R1.7 O=C([O-])C1=CC=CS1 F16481 [0,0,0,0,0,0|2,0,0]=2 76 B8R1.7 O=C([O-])C1=CC=CS1 H10133 [0,0,0,0,0,0|2,0,0]=2 77 B8R1.7 O=C([O-])C1=NC=CO1 57409 [0,0,0,0,0,0|2,0,1]=3 78 B8R1.7 O=[N+]([O-])C1=CC=CS1 F13472 [0,0,0,0,0,0|3,0,0]=3 79 B8R1.7 O=[N+]([O-])C1=CC=NN1 35026 [0,0,0,0,0,0|3,0,0]=3 80 B8R1.7 O=[N+]([O-])C1=CN=CS1 BL006203 [0,0,0,0,0,0|4,0,0]=4 81 B8R1.7 O=[N+]([O-])C1=CNC=N1 44410 [0,0,0,0,0,0|3,0,1]=4 82 B8R1.7 O=[N+]([O-])C1=NC=CN1 23093 [0,0,0,0,0,0|3,0,0]=3 83 B8R1.7 O=[N+]([O-])C1=NC=NN1 S10287 [0,0,0,0,0,0|4,0,0]=4 84 B8R1.7 O=[N+]([O-])C1=NNC=C1 28978 [0,0,0,0,0,0|3,0,1]=4 85 B8R1.7 O=[N+]([O-])N1C=CC=N1 H11326 [0,0,0,0,0,0|3,0,1]=4 86 B8R1.7 OB(O)C1=CC=CO1 30157 [0,0,0,0,0,0|3,0,1]=4 87 B8R1.7 OB(O)C1=CC=CS1 33141 [0,0,0,0,0,0|3,0,1]=4 88 B8R1.7 OB(O)C1=CC=NN1 CS1248 [0,0,0,0,0,0|3,0,1]=4 89 B7R1.1 BrCC1=NC=CN1 O10503 [1,0,0,0,0,0|2,0,1]=4 90 B7R1.1 C#CC1=CC=CS1 75533 [1,0,0,0,0,0|1,0,2]=4 91 B7R1.1 C=CC1=CSC=C1 D84207 [1,0,0,0,0,0|2,0,1]=4 92 B7R1.1 CCC1=CC=CO1 S10154 [1,0,0,0,0,0|1,0,1]=3 93 B7R1.1 CCC1=CC=CS1 D90498 [1,0,0,0,0,0|1,0,1]=3 94 B7R1.1 CCC1=CCC=C1 F14114 [1,0,0,0,0,0|1,0,2]=4 95 B7R1.1 CCC1=CN=CN1 32046 [1,0,0,0,0,0|1,0,1]=3 96 B7R1.1 CCC1=CSC=C1 F14946 [1,0,0,0,0,0|2,0,1]=4 97 B7R1.1 CCC1=NC=CN1 D77759 [1,0,0,0,0,0|1,0,1]=3 98 B7R1.1 CCC1=NC=CS1 D90524 [1,0,0,0,0,0|1,0,2]=4 99 B7R1.1 CCN1C=CC=N1 28726 [1,0,0,0,0,0|1,0,2]=4 100 B7R1.1 COC1=CC=CS1 F14921 [1,0,0,0,0,0|2,0,0]=3 101 B7R1.1 COC1=CSC=C1 63554 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.1 COC1=NC=CS1 O10826 [1,0,0,0,0,0|2,0,1]=4 103 B7R1.1 CSC1=CSC=C1 D97361 [1,0,0,0,0,0|3,0,0]=4 104 B7R1.1 CSC1=NC=CS1 H10071 [1,0,0,0,0,0|2,0,1]=4 105 B7R1.1 ClCC1=CN=CN1 70852 [1,0,0,0,0,0|2,0,1]=4 106 B7R1.1 N#CC1=CC=CN1 57004 [1,0,0,0,0,0|1,0,1]=3 107 B7R1.1 N#CC1=CC=CO1 67660 [1,0,0,0,0,0|2,0,1]=4 108 B7R1.1 N#CC1=CC=CS1 11864 [1,0,0,0,0,0|2,0,1]=4 109 B7R1.1 N#CC1=CN=CN1 59451 [1,0,0,0,0,0|2,0,1]=4 110 B7R1.1 N#CC1=NC=CN1 38390 [1,0,0,0,0,0|2,0,1]=4 111 B7R1.1 N#CC1=NC=CN1 38391 [1,0,0,0,0,0|2,0,1]=4 112 B7R1.1 NCC1=CC=CN1 24683 [1,0,0,0,0,0|1,0,1]=3 113 B7R1.1 NCC1=CC=CS1 77953 [1,0,0,0,0,0|2,0,1]=4 114 B7R1.1 NCC1=CC=NN1 79202 [1,0,0,0,0,0|2,0,1]=4 115 B7R1.1 NCC1=NC=CN1 71597 [1,0,0,0,0,0|2,0,1]=4 116 B7R1.1 NCC1=NC=CN1 C90135 [1,0,0,0,0,0|2,0,1]=4 117 B7R1.1 O=CC1=CC=CN1 61406 [1,0,0,0,0,0|0,0,0]=1 118 B7R1.1 O=CC1=CC=CS1 AC8106 [1,0,0,0,0,0|1,0,0]=2 119 B7R1.1 O=CC1=CCC=C1 F14116 [1,0,0,0,0,0|1,0,1]=3 120 B7R1.1 O=CC1=CN=CN1 30100 [1,0,0,0,0,0|1,0,0]=2 121 B7R1.1 O=CC1=CN=CS1 66596 [1,0,0,0,0,0|2,0,0]=3 122 B7R1.1 O=CC1=CNC=C1 65470 [1,0,0,0,0,0|2,0,0]=3 123 B7R1.1 O=CC1=CNC=N1 CL2201 [1,0,0,0,0,0|1,0,1]=3 124 B7R1.1 O=CC1=CNN=C1 24998 [1,0,0,0,0,0|3,0,0]=4 125 B7R1.1 O=CC1=CNN=C1 38080 [1,0,0,0,0,0|3,0,0]=4 126 B7R1.1 O=CC1=COC=C1 61504 [1,0,0,0,0,0|2,0,0]=3 127 B7R1.1 O=CC1=COC=N1 25504 [1,0,0,0,0,0|1,0,1]=3 128 B7R1.1 O=CC1=CSC=C1 24023 [1,0,0,0,0,0|2,0,0]=3 129 B7R1.1 O=CC1=CSC=N1 66630 [1,0,0,0,0,0|1,0,1]=3 130 B7R1.1 O=CC1=NC=CN1 69187 [1,0,0,0,0,0|1,0,0]=2 131 B7R1.1 O=CC1=NC=CO1 64760 [1,0,0,0,0,0|1,0,1]=3 132 B7R1.1 O=CC1=NC=CS1 TD8063 [1,0,0,0,0,0|1,0,1]=3 133 B7R1.1 O=CC1=NNC=C1 BL001484 [1,0,0,0,0,0|1,0,1]=3 134 B7R1.1 OCC1=CC=CS1 P10010 [1,0,0,0,0,0|1,0,2]=4 135 B7R1.1 OCC1=CN=CN1 71235 [1,0,0,0,0,0|1,0,2]=4 136 B7R1.1 OCC1=NC=CN1 28922 [1,0,0,0,0,0|1,0,2]=4 137 B9R1.11 CCC(=O)C1=CC=CN1 71325 [0,1,0,0,0,0|0,0,0]=1 138 B9R1.11 CCC(=O)C1=CC=CS1 I10171 [0,1,0,0,0,0|1,0,0]=2 139 B9R1.11 CNC(=O)C1=CNN=C1 32201 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.11 CNC(=O)N1C=CN=C1 32082 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.11 COC(=O)C1=CC=CN1 CL2801 [0,1,0,0,0,0|0,0,0]=1 142 B9R1.11 COC(=O)C1=CC=CO1 D78223 [0,1,0,0,0,0|1,0,0]=2 143 B9R1.11 COC(=O)C1=CC=CS1 20523 [0,1,0,0,0,0|1,0,0]=2 144 B9R1.11 COC(=O)C1=CC=NN1 P10300 [0,1,0,0,0,0|1,0,0]=2 145 B9R1.11 COC(=O)C1=CCCC1 23248 [0,1,0,0,0,0|1,0,2]=4 146 B9R1.11 COC(=O)C1=CN=CN1 36063 [0,1,0,0,0,0|1,0,0]=2 147 B9R1.11 COC(=O)C1=CN=CO1 78384 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.11 COC(=O)C1=CN=CS1 24832 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.11 COC(=O)C1=CNC=C1 CL2812 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.11 COC(=O)C1=CNC=N1 64348 [0,1,0,0,0,0|1,0,1]=3 151 B9R1.11 COC(=O)C1=CNN=C1 28997 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.11 COC(=O)C1=CNN=C1 C90619 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.11 COC(=O)C1=CNN=N1 31005 [0,1,0,0,0,0|2,0,1]=4 154 B9R1.11 COC(=O)C1=COC=C1 D90674 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.11 COC(=O)C1=CSC=C1 74929 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.11 COC(=O)C1=CSC=N1 CL2511 [0,1,0,0,0,0|1,0,1]=3 157 B9R1.11 COC(=O)C1=NC=CN1 25714 [0,1,0,0,0,0|1,0,0]=2 158 B9R1.11 COC(=O)C1=NC=CS1 32639 [0,1,0,0,0,0|1,0,1]=3 159 B9R1.11 COC(=O)C1=NNC=C1 24392 [0,1,0,0,0,0|1,0,1]=3 160 B9R1.11 COC(=O)C1=NNC=N1 F14150 [0,1,0,0,0,0|2,0,1]=4 161 B9R1.11 COC(=O)C1=NNN=C1 O11878 [0,1,0,0,0,0|2,0,1]=4 162 B9R1.11 COC(=O)C1CC=CC1 23138 [0,1,0,0,0,0|1,0,2]=4 163 B9R1.11 CSC(=N)C1=CC=CS1 77278 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.11 CSC(=O)C1=CC=CO1 D91534 [0,1,0,0,0,0|1,0,0]=2 165 B9R1.11 N=C(NO)C1=CC=CS1 78308 [0,1,0,0,0,0|2,0,1]=4 166 B9R1.11 NC[C@H](O)C1=CC=CO1 71472 [0,1,0,0,0,0|1,0,2]=4 167 B9R1.11 NNC(=O)C1=CC=CN1 CL3108 [0,1,0,0,0,0|1,0,0]=2 168 B9R1.11 NNC(=O)C1=CC=CO1 F10405 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.11 NNC(=O)C1=CC=CS1 F10320 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.11 NNC(=O)C1=COC=N1 D79709 [0,1,0,0,0,0|2,0,1]=4 171 B9R1.11 NNC(=O)C1=CSC=N1 BL000540 [0,1,0,0,0,0|2,0,1]=4 172 B9R1.11 O=C(CBr)C1=CC=CN1 D82305 [0,1,0,0,0,0|0,0,0]=1 173 B9R1.11 O=C(CBr)C1=CC=CS1 S12025 [0,1,0,0,0,0|1,0,0]=2 174 B9R1.11 O=C(CBr)C1=CSC=C1 BL007628 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.11 O=C(CBr)C1=NC=CS1 BL005497 [0,1,0,0,0,0|1,0,1]=3 176 B9R1.19 CC(C)(C)C1=CN=CN1 51767 [0,1,0,0,0,0|2,0,1]=4 177 B9R1.19 CC(C)(C)C1=NC=CN1 30939 [0,1,0,0,0,0|2,0,1]=4 178 B9R1.19 CS(=O)(=O)C1=CC=CS1 P10050 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.19 C[Si](C)(C)C1=CC=CS1 I11252 [0,1,0,0,0,0|2,1,0]=4 180 B9R1.19 NS(=O)(=O)C1=CC=CS1 CL1301 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 P20514 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.35 CC(=O)C1=CC(Br)=CS1 P10187 [0,1,0,0,0,0|1,0,0]=2 183 B9R1.35 CC(=O)C1=CC(C)=CS1 D71110 [0,1,0,0,0,0|1,0,0]=2 184 B9R1.35 CC(=O)C1=CC(Cl)=CS1 23254 [0,1,0,0,0,0|1,0,0]=2 185 B9R1.35 CC(=O)C1=CC=C(Br)S1 75400 [0,1,0,0,0,0|1,0,0]=2 186 B9R1.35 CC(=O)C1=CC=C(C)O1 28464 [0,1,0,0,0,0|1,0,0]=2 187 B9R1.35 CC(=O)C1=CC=C(C)S1 23304 [0,1,0,0,0,0|1,0,0]=2 188 B9R1.35 CC(=O)C1=CC=C(Cl)S1 77914 [0,1,0,0,0,0|1,0,0]=2 189 B9R1.35 CC(=O)C1=CC=C(I)S1 D94642 [0,1,0,0,0,0|1,0,0]=2 190 B9R1.35 CC(=O)C1=CN(C)C=C1 D87533 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.35 CC(=O)C1=CN(C)N=C1 Y10380 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.35 CC(=O)C1=CN=C(Br)S1 O10262 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.35 CC(=O)C1=CN=C(N)O1 C90558 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.35 CC(=O)C1=CN=C(N)S1 50879 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.35 CC(=O)C1=NC(C)=CS1 78610 [0,1,0,0,0,0|1,0,1]=3 196 B9R1.35 CC(=O)N1C=C(I)C=N1 28193 [0,1,0,0,0,0|1,0,1]=3 197 B9R1.35 CC(C)C1=CC(N)=NN1 66476 [0,1,0,0,0,0|2,0,1]=4 198 B9R1.35 CC1=CC(C(=O)Cl)=NO1 29720 [0,1,0,0,0,0|2,0,1]=4 199 B9R1.35 CC1=CC(C(=O)O)=CN1 26248 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.35 CC1=CC(C(=O)O)=NN1 CL3431 [0,1,0,0,0,0|2,0,1]=4 201 B9R1.35 CC1=CC(C(=O)O)=NO1 28331 [0,1,0,0,0,0|2,0,1]=4 202 B9R1.35 CC1=CC(C(N)=O)=NO1 24771 [0,1,0,0,0,0|2,0,1]=4 203 B9R1.35 CC1=CC=C(C(=O)O)N1 O11470 [0,1,0,0,0,0|1,0,0]=2 204 B9R1.35 CC1=CC=C(C(=O)O)O1 33208 [0,1,0,0,0,0|2,0,0]=3 205 B9R1.35 CC1=CC=C(C(=O)O)S1 F11216 [0,1,0,0,0,0|2,0,0]=3 206 B9R1.35 CC1=CN=C(C(=O)O)S1 BL001513 [0,1,0,0,0,0|2,0,1]=4 207 B9R1.35 CC1=CNC(C(=O)O)=C1 59367 [0,1,0,0,0,0|1,0,0]=2 208 B9R1.35 CC1=CSC(C(=O)O)=C1 CL9298 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.35 CC1=CSC(C(=O)O)=N1 69756 [0,1,0,0,0,0|2,0,1]=4 210 B9R1.35 CC1=NC(C(=O)O)=CN1 24690 [0,1,0,0,0,0|2,0,1]=4 211 B9R1.35 CC1=NC(C(=O)O)=CO1 69012 [0,1,0,0,0,0|2,0,1]=4 212 B9R1.35 CC1=NC(C(=O)O)=CS1 69867 [0,1,0,0,0,0|2,0,1]=4 213 B9R1.35 CC1=NC=C(C(=O)O)S1 35338 [0,1,0,0,0,0|3,0,0]=4 214 B9R1.35 CC1=NNC(C(=O)O)=C1 34014 [0,1,0,0,0,0|2,0,0]=3 215 B9R1.35 CC1=NNC([N+](=O)[O-])=C1 23463 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.35 CC1=NOC(C(=O)O)=C1 CL3463 [0,1,0,0,0,0|3,0,0]=4 217 B9R1.35 CN1C=CC(C(=O)O)=N1 34655 [0,1,0,0,0,0|2,0,1]=4 218 B9R1.35 CN1C=NC(C(=O)O)=C1 35173 [0,1,0,0,0,0|2,0,1]=4 219 B9R1.35 C[C@H](N)C1=CC=C(Br)S1 D70478 [0,1,0,0,0,0|2,0,1]=4 220 B9R1.35 NC(=O)C1=CC=C(Br)S1 A12832 [0,1,0,0,0,0|2,0,0]=3 221 B9R1.35 NC(=O)C1=CC=C(Cl)S1 D81731 [0,1,0,0,0,0|2,0,0]=3 222 B9R1.35 NC(=O)C1=CSC(Br)=C1 F52622 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.35 NC(=O)C1=CSC(Br)=N1 S10143 [0,1,0,0,0,0|2,0,1]=4 224 B9R1.35 NC(=O)C1=CSC(N)=N1 37100 [0,1,0,0,0,0|2,0,1]=4 225 B9R1.35 NC(=O)C1=NNC(N)=C1 31823 [0,1,0,0,0,0|2,0,1]=4 226 B9R1.35 NC1=CC(C(=O)O)=NN1 30226 [0,1,0,0,0,0|2,0,1]=4 227 B9R1.35 NC1=NC(C(=O)O)=CS1 AB1129 [0,1,0,0,0,0|2,0,1]=4 228 B9R1.35 NC1=NC(C(=O)O)=CS1 AB2631 [0,1,0,0,0,0|2,0,1]=4 229 B9R1.35 NC1=NC=C(C(=O)O)S1 34663 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.35 NC1=NNC(C(=O)O)=N1 F14876 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 25747 [0,1,0,0,0,0|2,0,0]=3 232 B9R1.35 O=C(O)C1=CC(Br)=CN1 CL2806 [0,1,0,0,0,0|1,0,0]=2 233 B9R1.35 O=C(O)C1=CC(Br)=CS1 54466 [0,1,0,0,0,0|2,0,0]=3 234 B9R1.35 O=C(O)C1=CC(O)=NO1 11160 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.35 O=C(O)C1=CC=C(Br)O1 FD17049 [0,1,0,0,0,0|2,0,0]=3 236 B9R1.35 O=C(O)C1=CC=C(Br)S1 76236 [0,1,0,0,0,0|2,0,0]=3 237 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CL8867 [0,1,0,0,0,0|2,0,0]=3 238 B9R1.35 O=C(O)C1=CC=C(Cl)S1 37624 [0,1,0,0,0,0|2,0,0]=3 239 B9R1.35 O=C(O)C1=CN=C(Br)S1 CL2509 [0,1,0,0,0,0|3,0,0]=4 240 B9R1.35 O=C(O)C1=CN=C(Cl)S1 28365 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.35 O=C(O)C1=CNC(O)=N1 F31133 [0,1,0,0,0,0|2,0,1]=4 242 B9R1.35 O=C(O)C1=COC(Br)=C1 31115 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.35 O=C(O)C1=COC(Br)=N1 27561 [0,1,0,0,0,0|2,0,1]=4 244 B9R1.35 O=C(O)C1=CSC(Br)=C1 55810 [0,1,0,0,0,0|3,0,0]=4 245 B9R1.35 O=C(O)C1=CSC(Br)=N1 23823 [0,1,0,0,0,0|2,0,1]=4 246 B9R1.35 O=C(O)C1=CSC(Cl)=N1 VT1399 [0,1,0,0,0,0|2,0,1]=4 247 B9R1.35 O=C(O)C1=NC(Br)=CS1 51377 [0,1,0,0,0,0|2,0,1]=4 248 B9R1.35 O=C(O)C1=NNC(Br)=C1 20417 [0,1,0,0,0,0|2,0,1]=4 249 B9R1.35 O=C1C=C(C(=O)O)CC1 D82157 [0,1,0,0,0,0|2,0,1]=4 250 B9R1.35 O=[N+]([O-])C1=CC=C(Br)S1 FD7097 [0,1,0,0,0,0|3,0,0]=4 251 B9R1.35 O=[N+]([O-])C1=CN=C(Br)N1 36006 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.35 O=[N+]([O-])C1=CN=C(Cl)N1 50016 [0,1,0,0,0,0|3,0,0]=4 253 B9R1.41 CC(=O)C1=C(Br)C=CS1 29765 [0,1,0,0,0,0|1,0,0]=2 254 B9R1.41 CC(=O)C1=C(N)SC=C1 D95065 [0,1,0,0,0,0|2,0,0]=3 255 B9R1.41 CC(=O)C1=CC=CN1C AC1193 [0,1,0,0,0,0|0,0,0]=1 256 B9R1.41 CC(=O)C1=CC=NN1C 30346 [0,1,0,0,0,0|1,0,0]=2 257 B9R1.41 CC(=O)C1=CNN=C1C 71813 [0,1,0,0,0,0|3,0,0]=4 258 B9R1.41 CC1=C(C(=O)Cl)SC=C1 D91524 [0,1,0,0,0,0|2,0,0]=3 259 B9R1.41 CC1=C(C(=O)O)C=CO1 33431 [0,1,0,0,0,0|3,0,0]=4 260 B9R1.41 CC1=C(C(=O)O)C=CS1 83433 [0,1,0,0,0,0|3,0,0]=4 261 B9R1.41 CC1=C(C(=O)O)N=CO1 68173 [0,1,0,0,0,0|2,0,1]=4 262 B9R1.41 CC1=C(C(=O)O)N=CS1 BL001514 [0,1,0,0,0,0|2,0,1]=4 263 B9R1.41 CC1=C(C(=O)O)NC=C1 59364 [0,1,0,0,0,0|1,0,0]=2 264 B9R1.41 CC1=C(C(=O)O)NC=N1 71178 [0,1,0,0,0,0|2,0,0]=3 265 B9R1.41 CC1=C(C(=O)O)OC=C1 33433 [0,1,0,0,0,0|2,0,0]=3 266 B9R1.41 CC1=C(C(=O)O)OC=N1 83356 [0,1,0,0,0,0|3,0,0]=4 267 B9R1.41 CC1=C(C(=O)O)ON=C1 29932 [0,1,0,0,0,0|3,0,0]=4 268 B9R1.41 CC1=C(C(=O)O)SC=C1 75872 [0,1,0,0,0,0|2,0,0]=3 269 B9R1.41 CC1=C(C(=O)O)SC=N1 33725 [0,1,0,0,0,0|3,0,0]=4 270 B9R1.41 CC1=C([N+](=O)[O-])NC=N1 W11135 [0,1,0,0,0,0|3,0,0]=4 271 B9R1.41 CC1=C([N+](=O)[O-])NN=C1 CS1308 [0,1,0,0,0,0|3,0,0]=4 272 B9R1.41 CC1=CNN=C1C(=O)O 30694 [0,1,0,0,0,0|2,0,1]=4 273 B9R1.41 CC1=CSC=C1C(=O)O 83446 [0,1,0,0,0,0|3,0,0]=4 274 B9R1.41 CN1C=CC=C1C(=O)O TD8129 [0,1,0,0,0,0|1,0,0]=2 275 B9R1.41 CN1C=CN=C1C(=O)O 83027 [0,1,0,0,0,0|2,0,0]=3 276 B9R1.41 CN1C=CN=C1[N+](=O)[O-] 63312 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.41 CN1C=NC=C1C(=O)O CL2207 [0,1,0,0,0,0|2,0,0]=3 278 B9R1.41 CN1C=NC=C1[N+](=O)[O-] 35176 [0,1,0,0,0,0|3,0,0]=4 279 B9R1.41 CN1N=CC=C1C(=O)O 23375 [0,1,0,0,0,0|2,0,0]=3 280 B9R1.41 NC(=O)C1=C(N)C=CS1 F14991 [0,1,0,0,0,0|2,0,0]=3 281 B9R1.41 NC(=O)C1=C(N)N=CN1 73706 [0,1,0,0,0,0|2,0,0]=3 282 B9R1.41 NC(=O)C1=C(N)N=CN1 W13853 [0,1,0,0,0,0|2,0,0]=3 283 B9R1.41 NC(=O)C1=C(N)NC=N1 O11342 [0,1,0,0,0,0|2,0,1]=4 284 B9R1.41 NC(=O)C1=C(N)SC=C1 81844 [0,1,0,0,0,0|3,0,0]=4 285 B9R1.41 NC(=O)C1=C(O)NC=N1 62309 [0,1,0,0,0,0|2,0,1]=4 286 B9R1.41 NC(=O)C1=CC=CN1N 52162 [0,1,0,0,0,0|1,0,0]=2 287 B9R1.41 NC(=O)C1=CSC=C1Br 88256 [0,1,0,0,0,0|3,0,0]=4 288 B9R1.41 NC1=C(C(=O)O)C=CS1 83946 [0,1,0,0,0,0|3,0,0]=4 289 B9R1.41 NC1=C(C(=O)O)NN=C1 91421 [0,1,0,0,0,0|2,0,0]=3 290 B9R1.41 NC1=C(C(=O)O)SC=C1 29810 [0,1,0,0,0,0|2,0,0]=3 291 B9R1.41 NC1=C(C(=O)[O-])SC=C1 56922 [0,1,0,0,0,0|2,0,0]=3 292 B9R1.41 NC1=CNN=C1C(=O)O F13263 [0,1,0,0,0,0|2,0,1]=4 293 B9R1.41 O=C(O)C1=C(Br)C=CS1 33500 [0,1,0,0,0,0|2,0,0]=3 294 B9R1.41 O=C(O)C1=C(Br)C=NN1 36114 [0,1,0,0,0,0|2,0,0]=3 295 B9R1.41 O=C(O)C1=C(Br)SC=C1 30294 [0,1,0,0,0,0|3,0,0]=4 296 B9R1.41 O=C(O)C1=C(Br)SC=N1 68021 [0,1,0,0,0,0|2,0,1]=4 297 B9R1.41 O=C(O)C1=C(Cl)C=CS1 75807 [0,1,0,0,0,0|2,0,0]=3 298 B9R1.41 O=C(O)C1=C(F)C=CS1 25680 [0,1,0,0,0,0|2,0,0]=3 299 B9R1.41 O=C(O)C1=C(I)C=NN1 26276 [0,1,0,0,0,0|2,0,0]=3 300 B9R1.41 O=C(O)C1=C(I)OC=C1 W15727 [0,1,0,0,0,0|3,0,0]=4 301 B9R1.41 O=C(O)C1=CSC=C1Br 55568 [0,1,0,0,0,0|3,0,0]=4 302 B9R1.41 O=C(O)C1=NNC=C1Br 23224 [0,1,0,0,0,0|2,0,1]=4 303 B9R1.41 O=[N+]([O-])C1=C(Br)C=CS1 F15010 [0,1,0,0,0,0|3,0,0]=4 304 B9R1.41 O=[N+]([O-])C1=C(Br)N=CN1 29633 [0,1,0,0,0,0|3,0,0]=4 305 B7R0.4 C=CCCOC(C)=O 74074 [0,0,1,0,0,0|2,0,1]=4 306 B7R0.4 C=CCNCC(=O)O 54025 [0,0,1,0,0,0|1,0,2]=4 307 B7R0.4 CCC\C=C\C(C)=O F17581 [0,0,1,0,0,0|1,0,2]=4 308 B7R0.4 C\C=C\C=C\C(=O)[O-] D92224 [0,0,1,0,0,0|2,0,0]=3 309 B7R0.4 C\C=C\C=C\C(=O)[O-] D92225 [0,0,1,0,0,0|2,0,0]=3 310 B7R0.5 C=CC[C@H](N)C(=O)O 67600 [0,0,1,0,0,0|1,0,2]=4 311 B7R0.5 C=CC[C@H](N)C(=O)O H10160 [0,0,1,0,0,0|1,0,2]=4 312 B7R0.5 C=CC[C@H](N)C(=O)O O10661 [0,0,1,0,0,0|1,0,2]=4 313 B7R0.5 C=CC[C@H](N)C(=O)O T70065 [0,0,1,0,0,0|1,0,2]=4 314 B9R2.7 O=C1CC2C=CCC12 54049 [0,0,0,1,0,0|1,0,2]=4 315 B9R1.6 C=C(Br)C1=CC=CC=C1 D95919 [0,0,0,0,0,1|2,0,1]=4 316 B9R1.6 C=C(C)C1=CC=CN=C1 P19051 [0,0,0,0,0,1|1,0,1]=3 317 B9R1.6 CC(=O)C1=CC=CC=C1 D71016 [0,0,0,0,0,1|1,0,0]=2 318 B9R1.6 CC(=O)C1=CC=NC=C1 67667 [0,0,0,0,0,1|1,0,0]=2 319 B9R1.6 CC(=O)C1=CN=CC=C1 67603 [0,0,0,0,0,1|0,0,1]=2 320 B9R1.6 CC(=O)C1=CN=CN=C1 82951 [0,0,0,0,0,1|1,0,1]=3 321 B9R1.6 CC(=O)C1=CN=NC=C1 RB3221 [0,0,0,0,0,1|1,0,1]=3 322 B9R1.6 CC(=O)C1=NC=CC=C1 P19605 [0,0,0,0,0,1|0,0,1]=2 323 B9R1.6 CC(=O)C1=NC=CC=N1 50312 [0,0,0,0,0,1|0,0,1]=2 324 B9R1.6 CC(=O)C1=NC=CN=C1 AC7524 [0,0,0,0,0,1|0,0,1]=2 325 B9R1.6 CC(=O)C1=NC=NC=C1 20354 [0,0,0,0,0,1|0,0,1]=2 326 B9R1.6 CC(C)C1=CC=NC=C1 T72840 [0,0,0,0,0,1|2,0,1]=4 327 B9R1.6 CC(C)C1=NC=CC=C1 35326 [0,0,0,0,0,1|1,0,2]=4 328 B9R1.6 CN(C)C1=CC=NC=C1 CX1367 [0,0,0,0,0,1|3,0,0]=4 329 B9R1.6 CN(C)C1=CC=NC=C1 D84248 [0,0,0,0,0,1|3,0,0]=4 330 B9R1.6 CN(C)C1=NC=CC=C1 D89909 [0,0,0,0,0,1|2,0,1]=4 331 B9R1.6 CN(N)C1=CC=CC=C1 S11053 [0,0,0,0,0,1|3,0,0]=4 332 B9R1.6 CP(C)C1=CC=CC=C1 D97453 [0,0,0,0,0,1|3,0,0]=4 333 B9R1.6 C[C@H](Br)C1=CC=CC=C1 F20928 [0,0,0,0,0,1|2,0,1]=4 334 B9R1.6 C[C@H](Cl)C1=CN=CC=C1 W15973 [0,0,0,0,0,1|1,0,2]=4 335 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77692 [0,0,0,0,0,1|2,0,1]=4 336 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77861 [0,0,0,0,0,1|2,0,1]=4 337 B9R1.6 C[C@H](N)C1=CC=CN=C1 31704 [0,0,0,0,0,1|1,0,2]=4 338 B9R1.6 C[C@H](N)C1=CC=CN=C1 W10147 [0,0,0,0,0,1|1,0,2]=4 339 B9R1.6 C[C@H](N)C1=CC=NC=C1 29276 [0,0,0,0,0,1|2,0,1]=4 340 B9R1.6 C[C@H](N)C1=CC=NC=C1 31706 [0,0,0,0,0,1|2,0,1]=4 341 B9R1.6 C[C@H](N)C1=CC=NC=C1 32625 [0,0,0,0,0,1|2,0,1]=4 342 B9R1.6 C[C@H](N)C1=CC=NC=C1 74019 [0,0,0,0,0,1|2,0,1]=4 343 B9R1.6 C[C@H](N)C1=CC=NC=C1 74021 [0,0,0,0,0,1|2,0,1]=4 344 B9R1.6 C[C@H](N)C1=NC=CC=C1 31702 [0,0,0,0,0,1|1,0,2]=4 345 B9R1.6 C[C@H](N)C1=NC=CC=C1 73378 [0,0,0,0,0,1|1,0,2]=4 346 B9R1.6 C[C@H](N)C1=NC=CC=C1 73379 [0,0,0,0,0,1|1,0,2]=4 347 B9R1.6 C[C@H](N)C1=NC=CC=C1 74000 [0,0,0,0,0,1|1,0,2]=4 348 B9R1.6 C[C@H](N)C1=NC=CC=C1 74001 [0,0,0,0,0,1|1,0,2]=4 349 B9R1.6 C[C@H](N)C1=NC=CC=C1 AB1582 [0,0,0,0,0,1|1,0,2]=4 350 B9R1.6 C[C@H](O)C1=CC=CC=C1 F13058 [0,0,0,0,0,1|1,0,2]=4 351 B9R1.6 C[C@H](O)C1=CC=CC=C1 F13077 [0,0,0,0,0,1|1,0,2]=4 352 B9R1.6 C[C@H](O)C1=CC=NC=C1 29330 [0,0,0,0,0,1|1,0,2]=4 353 B9R1.6 C[C@H](O)C1=CC=NC=C1 52702 [0,0,0,0,0,1|1,0,2]=4 354 B9R1.6 C[C@H](O)C1=CC=NC=C1 W18270 [0,0,0,0,0,1|1,0,2]=4 355 B9R1.6 C[C@H](O)C1=CN=CC=C1 28468 [0,0,0,0,0,1|0,0,3]=4 356 B9R1.6 C[C@H](O)C1=CN=CC=C1 31273 [0,0,0,0,0,1|0,0,3]=4 357 B9R1.6 C[C@H](O)C1=CN=CC=C1 31307 [0,0,0,0,0,1|0,0,3]=4 358 B9R1.6 C[C@H](O)C1=NC=CC=C1 35186 [0,0,0,0,0,1|0,0,3]=4 359 B9R1.6 C[S@](=O)C1=CC=CC=C1 W16288 [0,0,0,0,0,1|2,0,0]=3 360 B9R1.6 C[S@](=O)C1=NC=CC=N1 O10531 [0,0,0,0,0,1|1,0,1]=3 361 B9R1.6 C[SiH](C)C1=CC=CC=C1 I11449 [0,0,0,0,0,1|2,1,0]=4 362 B9R1.6 N=C(N)C1=CC=CC=C1 30306 [0,0,0,0,0,1|3,0,0]=4 363 B9R1.6 N=C(N)C1=CC=CC=C1 73720 [0,0,0,0,0,1|3,0,0]=4 364 B9R1.6 N=C(N)C1=CC=CC=C1 AC2200 [0,0,0,0,0,1|3,0,0]=4 365 B9R1.6 N=C(N)C1=CC=CN=C1 CL0140 [0,0,0,0,0,1|2,0,1]=4 366 B9R1.6 N=C(N)C1=CC=NC=C1 74142 [0,0,0,0,0,1|3,0,0]=4 367 B9R1.6 N=C(N)C1=CC=NC=C1 F14810 [0,0,0,0,0,1|3,0,0]=4 368 B9R1.6 N=C(N)C1=NC=CC=C1 67969 [0,0,0,0,0,1|2,0,1]=4 369 B9R1.6 N=C(N)C1=NC=CC=N1 68619 [0,0,0,0,0,1|2,0,1]=4 370 B9R1.6 N=C(N)C1=NC=CN=C1 65492 [0,0,0,0,0,1|2,0,1]=4 371 B9R1.6 NC(=O)C1=CC=CC=C1 D70176 [0,0,0,0,0,1|2,0,0]=3 372 B9R1.6 NC(=O)C1=CC=NC=C1 D70516 [0,0,0,0,0,1|2,0,0]=3 373 B9R1.6 NC(=O)C1=CN=CC=C1 11886 [0,0,0,0,0,1|1,0,1]=3 374 B9R1.6 NC(=O)C1=NC=CC=C1 70831 [0,0,0,0,0,1|1,0,1]=3 375 B9R1.6 NC(=O)C1=NC=CN=C1 D70481 [0,0,0,0,0,1|1,0,1]=3 376 B9R1.6 NC(=S)C1=CC=CC=C1 29507 [0,0,0,0,0,1|2,1,0]=4 377 B9R1.6 NC(=S)C1=CC=NC=C1 31337 [0,0,0,0,0,1|2,1,0]=4 378 B9R1.6 NC(=S)C1=CN=CC=C1 31339 [0,0,0,0,0,1|1,1,1]=4 379 B9R1.6 NC(=S)C1=NC=CC=C1 31338 [0,0,0,0,0,1|1,1,1]=4 380 B9R1.6 NC(=S)C1=NC=CC=N1 W10910 [0,0,0,0,0,1|1,1,1]=4 381 B9R1.6 NC(=S)C1=NC=CN=C1 D94778 [0,0,0,0,0,1|1,1,1]=4 382 B9R1.6 O=C(Br)C1=CC=CC=C1 F20923 [0,0,0,0,0,1|2,0,0]=3 383 B9R1.6 O=C(Cl)C1=CC=NC=C1 H11306 [0,0,0,0,0,1|2,0,0]=3 384 B9R1.6 O=C(Cl)C1=CN=CC=C1 F16330 [0,0,0,0,0,1|1,0,1]=3 385 B9R1.6 O=C(Cl)C1=NC=CC=C1 35856 [0,0,0,0,0,1|1,0,1]=3 386 B9R1.6 O=C(F)C1=CC=CC=C1 D88754 [0,0,0,0,0,1|2,0,0]=3 387 B9R1.6 O=C(O)C1=CC=CC=C1 D85168 [0,0,0,0,0,1|2,0,0]=3 388 B9R1.6 O=C(O)C1=CC=CC=C1 P19750 [0,0,0,0,0,1|2,0,0]=3 389 B9R1.6 O=C(O)C1=CC=NC=C1 AC8088 [0,0,0,0,0,1|2,0,0]=3 390 B9R1.6 O=C(O)C1=CN=CC=C1 AC8691 [0,0,0,0,0,1|1,0,1]=3 391 B9R1.6 O=C(O)C1=CN=CN=C1 CL1919 [0,0,0,0,0,1|2,0,1]=4 392 B9R1.6 O=C(O)C1=CN=NC=C1 23325 [0,0,0,0,0,1|2,0,1]=4 393 B9R1.6 O=C(O)C1=NC=CC=C1 11826 [0,0,0,0,0,1|1,0,1]=3 394 B9R1.6 O=C(O)C1=NC=CC=C1 CK2602 [0,0,0,0,0,1|1,0,1]=3 395 B9R1.6 O=C(O)C1=NC=CC=N1 65420 [0,0,0,0,0,1|1,0,1]=3 396 B9R1.6 O=C(O)C1=NC=CN=C1 CX1040 [0,0,0,0,0,1|1,0,1]=3 397 B9R1.6 O=C(O)C1=NC=NC=C1 52386 [0,0,0,0,0,1|1,0,1]=3 398 B9R1.6 O=C(O)C1=NN=CC=C1 24415 [0,0,0,0,0,1|1,0,1]=3 399 B9R1.6 O=C([O-])C1=CC=CC=C1 H11333 [0,0,0,0,0,1|2,0,0]=3 400 B9R1.6 O=C([O-])C1=CC=NC=C1 D92052 [0,0,0,0,0,1|2,0,0]=3 401 B9R1.6 O=C([O-])C1=CN=CC=C1 D97712 [0,0,0,0,0,1|1,0,1]=3 402 B9R1.6 O=C([O-])C1=NC=CC=C1 H10837 [0,0,0,0,0,1|1,0,1]=3 403 B9R1.6 O=S([O-])C1=CC=CC=C1 D82105 [0,0,0,0,0,1|3,0,0]=4 404 B9R1.6 O=[N+]([O-])C1=CC=NC=C1 51712 [0,0,0,0,0,1|3,0,0]=4 405 B9R1.6 O=[N+]([O-])C1=CN=CC=C1 CL0277 [0,0,0,0,0,1|2,0,1]=4 406 B9R1.6 O=[P@H](O)C1=CC=CC=C1 H12022 [0,0,0,0,0,1|3,0,0]=4 407 B9R1.6 O=[S@](O)C1=CC=CC=C1 D70177 [0,0,0,0,0,1|3,0,0]=4 408 B9R1.6 O=[S@]([O-])C1=CC=CC=C1 D77766 [0,0,0,0,0,1|3,0,0]=4 409 B9R1.6 OC(=S)C1=CC=CC=C1 D78412 [0,0,0,0,0,1|2,0,1]=4 410 B9R1.13 CC(=O)NC1=CSC=C1 30787 [0,0,0,0,0,1|2,0,0]=3 411 B9R1.13 CC(=O)NC1=NC=CS1 AC7947 [0,0,0,0,0,1|1,0,1]=3 412 B9R1.13 CC(=O)NC1=NNC=C1 29160 [0,0,0,0,0,1|1,0,1]=3 413 B9R1.13 CC(=O)NC1=NNC=N1 71097 [0,0,0,0,0,1|2,0,1]=4 414 B9R1.13 C[C@H](O)CC1=CC=CO1 31846 [0,0,0,0,0,1|1,0,2]=4 415 B9R1.13 NC(=O)CC1=CC=CS1 D85917 [0,0,0,0,0,1|2,0,0]=3 416 B9R1.13 O=C(Cl)CC1=CC=CS1 D78176 [0,0,0,0,0,1|2,0,0]=3 417 B9R1.13 O=C(O)CC1=CC=CS1 P10011 [0,0,0,0,0,1|2,0,0]=3 418 B9R1.13 O=C(O)CC1=CN=CN1 76838 [0,0,0,0,0,1|2,0,0]=3 419 B9R1.13 O=C(O)CC1=CNC=N1 62600 [0,0,0,0,0,1|2,0,1]=4 420 B9R1.13 O=C(O)CC1=CSC=C1 23025 [0,0,0,0,0,1|3,0,0]=4 421 B9R1.13 O=C(O)CC1=CSC=N1 30725 [0,0,0,0,0,1|2,0,1]=4 422 B9R1.13 O=C(O)CC1=NNC=C1 82858 [0,0,0,0,0,1|2,0,1]=4 423 B9R1.13 O=C(O)CN1C=CC=N1 CL3510 [0,0,0,0,0,1|2,0,1]=4 424 B6R0.4 CO\C=C\C(C)=O D78013 [1,0,1,0,0,0|1,0,1]=4 425 B6R0.4 CO\C=C\C(C)=O F50213 [1,0,1,0,0,0|1,0,1]=4 426 B6R0.6 C\C=C\C=C\C=O D90909 [1,0,1,0,0,0|1,0,0]=3 427 B6R0.6 C\C=C\C=C\CO D77844 [1,0,1,0,0,0|1,0,1]=4 428 B6R0.3 C=CN(C)C(C)=O D78236 [1,0,1,0,0,0|1,0,1]=4 429 B6R1.2 BrC1=CC=CO1 29495 [2,0,0,0,0,0|2,0,0]=4 430 B6R1.2 BrC1=CC=CS1 D77872 [2,0,0,0,0,0|2,0,0]=4 431 B6R1.2 BrC1=CC=NN1 37887 [2,0,0,0,0,0|2,0,0]=4 432 B6R1.2 BrC1=NC=CN1 TD8110 [2,0,0,0,0,0|2,0,0]=4 433 B6R1.2 CC1=CC=CS1 F10310 [2,0,0,0,0,0|1,0,0]=3 434 B6R1.2 CC1=CC=NN1 FD18008 [2,0,0,0,0,0|1,0,0]=3 435 B6R1.2 CC1=CC=NO1 F14932 [2,0,0,0,0,0|2,0,0]=4 436 B6R1.2 CC1=CCC=C1 F13190 [2,0,0,0,0,0|1,0,1]=4 437 B6R1.2 CC1=CN=CS1 35579 [2,0,0,0,0,0|2,0,0]=4 438 B6R1.2 CC1=CNC=N1 73319 [2,0,0,0,0,0|1,0,1]=4 439 B6R1.2 CC1=COC=N1 P11074 [2,0,0,0,0,0|1,0,1]=4 440 B6R1.2 CC1=CSC=C1 28845 [2,0,0,0,0,0|2,0,0]=4 441 B6R1.2 CC1=CSC=N1 P16589 [2,0,0,0,0,0|1,0,1]=4 442 B6R1.2 CC1=NC=CN1 D77862 [2,0,0,0,0,0|1,0,0]=3 443 B6R1.2 CC1=NC=CS1 26127 [2,0,0,0,0,0|1,0,1]=4 444 B6R1.2 CC1=NN=CN1 FD9029 [2,0,0,0,0,0|2,0,0]=4 445 B6R1.2 CN1C=CC=C1 D78235 [2,0,0,0,0,0|2,0,0]=4 446 B6R1.2 CN1C=CC=N1 39204 [2,0,0,0,0,0|1,0,1]=4 447 B6R1.2 ClC1=CC=CS1 F10317 [2,0,0,0,0,0|2,0,0]=4 448 B6R1.2 ClC1=CC=NN1 27119 [2,0,0,0,0,0|2,0,0]=4 449 B6R1.2 ClC1=CN=CN1 35570 [2,0,0,0,0,0|2,0,0]=4 450 B6R1.2 IC1=CC=CS1 20438 [2,0,0,0,0,0|2,0,0]=4 451 B6R1.2 IC1=CC=NN1 33948 [2,0,0,0,0,0|2,0,0]=4 452 B6R1.2 IC1=NC=CN1 23885 [2,0,0,0,0,0|2,0,0]=4 453 B6R1.2 NC1=CC=NN1 78618 [2,0,0,0,0,0|2,0,0]=4 454 B6R1.2 NC1=NC=CN1 36556 [2,0,0,0,0,0|2,0,0]=4 455 B6R1.2 NC1=NC=CN1 P10144 [2,0,0,0,0,0|2,0,0]=4 456 B6R1.2 O=C1C=CCC1 23169 [2,0,0,0,0,0|1,0,1]=4 457 B6R1.2 O=C1C=CCO1 20453 [2,0,0,0,0,0|1,0,1]=4 458 B6R1.2 O=C1C=CNN1 F30274 [2,0,0,0,0,0|1,0,0]=3 459 B6R1.2 O=C1C=CSN1 BL007960 [2,0,0,0,0,0|1,0,0]=3 460 B6R1.2 O=C1CC=CC1 68366 [2,0,0,0,0,0|1,0,1]=4 461 B6R1.2 O=C1CC=NN1 26372 [2,0,0,0,0,0|1,0,1]=4 462 B6R1.2 O=C1N=CNN1 28965 [2,0,0,0,0,0|2,0,0]=4 463 B6R1.2 O=C1NC=CN1 SC3451 [2,0,0,0,0,0|1,0,0]=3 464 B6R1.2 O=C1OC=CO1 28756 [2,0,0,0,0,0|2,0,0]=4 465 B6R1.2 OC1=CC=NN1 S10713 [2,0,0,0,0,0|1,0,1]=4 466 B6R1.2 SC1=NC=CN1 78654 [2,0,0,0,0,0|1,1,0]=4 467 B6R1.2 [Fe]C1=CC=CC1 D78443 [2,0,0,0,0,0|2,0,0]=4 468 B8R0.6 C\C=C\C=C\C(=O)OC H10763 [0,1,1,0,0,0|1,0,0]=3 469 B8R0.28 CC(=O)\C=C\C=C(C)C 74345 [0,1,1,0,0,0|1,0,0]=3 470 B8R0.23 C=C(NC(C)=O)C(=O)O F20437 [0,1,1,0,0,0|1,0,1]=4 471 B8R1.1 CC1=CC(C=O)=NO1 29715 [1,1,0,0,0,0|1,0,1]=4 472 B8R1.1 CC1=CC=C(C#N)N1 36543 [1,1,0,0,0,0|1,0,1]=4 473 B8R1.1 CC1=CC=C(C=O)O1 AC7802 [1,1,0,0,0,0|1,0,0]=3 474 B8R1.1 CC1=CC=C(C=O)S1 F11208 [1,1,0,0,0,0|1,0,0]=3 475 B8R1.1 CC1=CSC(C=O)=C1 F10375 [1,1,0,0,0,0|1,0,0]=3 476 B8R1.1 CC1=CSC(C=O)=N1 78529 [1,1,0,0,0,0|1,0,1]=4 477 B8R1.1 CC1=NC(C=O)=CN1 79259 [1,1,0,0,0,0|1,0,1]=4 478 B8R1.1 CC1=NC(C=O)=CO1 64592 [1,1,0,0,0,0|1,0,1]=4 479 B8R1.1 CC1=NC(C=O)=CS1 24082 [1,1,0,0,0,0|1,0,1]=4 480 B8R1.1 CC1=NC=C(C=O)S1 24244 [1,1,0,0,0,0|2,0,0]=4 481 B8R1.1 CC1=NNC(C=O)=C1 71136 [1,1,0,0,0,0|1,0,0]=3 482 B8R1.1 CC1=NOC(C=O)=C1 52031 [1,1,0,0,0,0|2,0,0]=4 483 B8R1.1 CCC1=CC=C(Br)S1 AT16365 [1,1,0,0,0,0|1,0,1]=4 484 B8R1.1 CCC1=CC=C(C)S1 D82487 [1,1,0,0,0,0|1,0,1]=4 485 B8R1.1 CCC1=NC(C)=CN1 AC1597 [1,1,0,0,0,0|1,0,1]=4 486 B8R1.1 CN1C=CC(C=O)=N1 83478 [1,1,0,0,0,0|1,0,1]=4 487 B8R1.1 CN1C=NC(C=O)=C1 38399 [1,1,0,0,0,0|1,0,1]=4 488 B8R1.1 COC1=CC(N)=NN1 38045 [1,1,0,0,0,0|2,0,0]=4 489 B8R1.1 NC1=NC(C=O)=CS1 D97493 [1,1,0,0,0,0|1,0,1]=4 490 B8R1.1 NC1=NC=C(C=O)S1 51946 [1,1,0,0,0,0|2,0,0]=4 491 B8R1.1 NC1=NC=C(C=O)S1 83484 [1,1,0,0,0,0|2,0,0]=4 492 B8R1.1 O=CC1=CC(Br)=CN1 24720 [1,1,0,0,0,0|0,0,0]=2 493 B8R1.1 O=CC1=CC(Br)=CO1 54612 [1,1,0,0,0,0|1,0,0]=3 494 B8R1.1 O=CC1=CC(Br)=CS1 21502 [1,1,0,0,0,0|1,0,0]=3 495 B8R1.1 O=CC1=CC(I)=CN1 C74720 [1,1,0,0,0,0|0,0,0]=2 496 B8R1.1 O=CC1=CC=C(Br)O1 FD17060 [1,1,0,0,0,0|1,0,0]=3 497 B8R1.1 O=CC1=CC=C(Br)S1 37587 [1,1,0,0,0,0|1,0,0]=3 498 B8R1.1 O=CC1=CC=C(Cl)O1 55259 [1,1,0,0,0,0|1,0,0]=3 499 B8R1.1 O=CC1=CC=C(Cl)S1 CL1306 [1,1,0,0,0,0|1,0,0]=3 500 B8R1.1 O=CC1=CC=C(I)O1 F12254 [1,1,0,0,0,0|1,0,0]=3 501 B8R1.1 O=CC1=CN=C(Br)S1 24006 [1,1,0,0,0,0|2,0,0]=4 502 B8R1.1 O=CC1=CN=C(Cl)S1 24233 [1,1,0,0,0,0|2,0,0]=4 503 B8R1.1 O=CC1=CSC(Br)=N1 21710 [1,1,0,0,0,0|1,0,1]=4 504 B8R1.1 O=CC1=NC(Br)=CS1 54568 [1,1,0,0,0,0|1,0,1]=4 505 B8R1.1 O=CC1=NC=C(Br)S1 FD9072 [1,1,0,0,0,0|1,0,1]=4 506 B8R1.8 CCCC1=CC=CS1 F17557 [1,1,0,0,0,0|1,0,1]=4 507 B8R1.8 CCCC1=NC=CN1 AC7723 [1,1,0,0,0,0|1,0,1]=4 508 B8R1.8 CNCC1=CC=CO1 74988 [1,1,0,0,0,0|1,0,1]=4 509 B8R1.8 CNCC1=CC=CS1 27064 [1,1,0,0,0,0|1,0,1]=4 510 B8R1.8 CNCC1=CC=CS1 76689 [1,1,0,0,0,0|1,0,1]=4 511 B8R1.8 CSCC1=CC=CO1 D90650 [1,1,0,0,0,0|1,0,1]=4 512 B8R1.8 N#CCC1=CC=CN1 AC1364 [1,1,0,0,0,0|0,0,2]=4 513 B8R1.8 NCCC1=CC=CO1 51136 [1,1,0,0,0,0|1,0,1]=4 514 B8R1.8 NCCC1=CC=CS1 28447 [1,1,0,0,0,0|1,0,1]=4 515 B8R1.8 NCCC1=CN=CN1 73730 [1,1,0,0,0,0|1,0,1]=4 516 B8R1.8 NCCC1=CN=CN1 D90807 [1,1,0,0,0,0|1,0,1]=4 517 B8R1.8 OCCC1=CC=CS1 P10012 [1,1,0,0,0,0|1,0,1]=4 518 B8R1.8 OCCC1=CN=CN1 25474 [1,1,0,0,0,0|1,0,1]=4 519 B8R1.8 OCCC1=CN=CN1 C73445 [1,1,0,0,0,0|1,0,1]=4 520 B8R1.8 OCCC1=NC=CN1 29051 [1,1,0,0,0,0|1,0,1]=4 521 B8R1.8 O\N=C\C1=CC=CS1 66648 [1,1,0,0,0,0|1,0,1]=4 522 B8R1.11 CC1=C(C=O)NC=N1 79118 [1,1,0,0,0,0|1,0,0]=3 523 B8R1.11 CC1=C(C=O)SC=C1 75871 [1,1,0,0,0,0|1,0,0]=3 524 B8R1.11 CC1=C(C=O)SC=N1 74332 [1,1,0,0,0,0|2,0,0]=4 525 B8R1.11 CN1C=CC=C1C#N W10652 [1,1,0,0,0,0|1,0,1]=4 526 B8R1.11 CN1C=CC=C1C=O P15926 [1,1,0,0,0,0|0,0,0]=2 527 B8R1.11 CN1C=CC=C1CN 71394 [1,1,0,0,0,0|1,0,1]=4 528 B8R1.11 CN1C=CN=C1C=O 33108 [1,1,0,0,0,0|1,0,0]=3 529 B8R1.11 CN1C=NC=C1C=O 59378 [1,1,0,0,0,0|1,0,0]=3 530 B8R1.11 CN1N=CC=C1C=O 83190 [1,1,0,0,0,0|1,0,0]=3 531 B8R1.11 COC1=CC=NN1C D82675 [1,1,0,0,0,0|2,0,0]=4 532 B8R1.11 CSC1=NC=CN1C SC5098 [1,1,0,0,0,0|2,0,0]=4 533 B8R1.11 N#CC1=CC=CN1N 52160 [1,1,0,0,0,0|1,0,1]=4 534 B8R1.11 N#CC1=CC=CN1N SC4274 [1,1,0,0,0,0|1,0,1]=4 535 B8R1.11 O=CC1=C(Br)C=CO1 65861 [1,1,0,0,0,0|1,0,0]=3 536 B8R1.11 O=CC1=C(Br)C=CS1 33089 [1,1,0,0,0,0|1,0,0]=3 537 B8R1.11 O=CC1=C(Cl)C=CS1 28685 [1,1,0,0,0,0|1,0,0]=3 538 B8R1.11 O=CC1=CSC=C1Br 88257 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.13 C=C(C)C1=CC=C(C)C=C1 F17145 [0,1,0,0,0,1|2,0,0]=4 540 B10R1.13 C=C(C)C1=CC=C(Cl)C=C1 D89216 [0,1,0,0,0,1|2,0,0]=4 541 B10R1.13 C=C(C)C1=CC=C(F)C=C1 CK2305 [0,1,0,0,0,1|2,0,0]=4 542 B10R1.13 C=C(C)C1=CC=C(O)C=C1 A11171 [0,1,0,0,0,1|2,0,0]=4 543 B10R1.13 CC(=O)C1=CC=C(C)C=C1 D70502 [0,1,0,0,0,1|1,0,0]=3 544 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 N10056 [0,1,0,0,0,1|1,0,0]=3 545 B10R1.13 CC(=O)C1=CC=C(F)C=C1 D70558 [0,1,0,0,0,1|1,0,0]=3 546 B10R1.13 CC(=O)C1=CC=C(I)C=C1 34152 [0,1,0,0,0,1|1,0,0]=3 547 B10R1.13 CC(=O)C1=CC=C(N)C=C1 D88235 [0,1,0,0,0,1|1,0,0]=3 548 B10R1.13 CC(=O)C1=CC=C(N)C=C1 F11286 [0,1,0,0,0,1|1,0,0]=3 549 B10R1.13 CC(=O)C1=CC=C(O)C=C1 44466 [0,1,0,0,0,1|1,0,0]=3 550 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 34646 [0,1,0,0,0,1|0,0,1]=3 551 B10R1.13 CC(=O)C1=CN=C(C)C=C1 24573 [0,1,0,0,0,1|0,0,1]=3 552 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 57255 [0,1,0,0,0,1|0,0,1]=3 553 B10R1.13 CC(=O)C1=CN=C(Cl)C=N1 25655 [0,1,0,0,0,1|0,0,1]=3 554 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 C10484 [0,1,0,0,0,1|1,0,1]=4 555 B10R1.13 CC(=O)C1=CN=C(F)C=C1 26492 [0,1,0,0,0,1|0,0,1]=3 556 B10R1.13 CC(=O)C1=CN=C(N)C=C1 AB8078 [0,1,0,0,0,1|0,0,1]=3 557 B10R1.13 CC(=O)C1=CN=C(O)C=C1 36014 [0,1,0,0,0,1|0,0,1]=3 558 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 56961 [0,1,0,0,0,1|0,0,1]=3 559 B10R1.13 CC(=O)C1=NC=C(C)C=C1 AB1019 [0,1,0,0,0,1|0,0,1]=3 560 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 80291 [0,1,0,0,0,1|0,0,1]=3 561 B10R1.13 CC(=O)C1=NC=C(F)C=C1 D82396 [0,1,0,0,0,1|0,0,1]=3 562 B10R1.13 CC(=O)C1=NC=C(F)C=N1 79117 [0,1,0,0,0,1|0,0,1]=3 563 B10R1.13 CC1=CC=C(C(=O)O)C=C1 D70680 [0,1,0,0,0,1|2,0,0]=4 564 B10R1.13 CC1=CC=C(C(N)=O)C=C1 35410 [0,1,0,0,0,1|2,0,0]=4 565 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 95016 [0,1,0,0,0,1|2,0,0]=4 566 B10R1.13 CC1=CN=C(C(=O)O)C=C1 23515 [0,1,0,0,0,1|1,0,1]=4 567 B10R1.13 CC1=CN=C(C(=O)O)C=C1 C13862 [0,1,0,0,0,1|1,0,1]=4 568 B10R1.13 CC1=CN=C(C(=O)O)C=N1 89310 [0,1,0,0,0,1|1,0,1]=4 569 B10R1.13 CC1=CN=C(C(N)=O)C=N1 88782 [0,1,0,0,0,1|1,0,1]=4 570 B10R1.13 CC1=NC=C(C(=O)O)C=C1 78731 [0,1,0,0,0,1|1,0,1]=4 571 B10R1.13 CC1=NC=C(C(N)=O)C=C1 AB2935 [0,1,0,0,0,1|1,0,1]=4 572 B10R1.13 CC1=NN=C(C(=O)O)C=C1 51799 [0,1,0,0,0,1|1,0,1]=4 573 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 A12944 [0,1,0,0,0,1|2,0,0]=4 574 B10R1.13 C[S@](=O)C1=CC=C(F)C=C1 W16289 [0,1,0,0,0,1|2,0,0]=4 575 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 F10314 [0,1,0,0,0,1|2,0,0]=4 576 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 78552 [0,1,0,0,0,1|2,0,0]=4 577 B10R1.13 NC(=O)C1=CC=C(F)C=C1 W18647 [0,1,0,0,0,1|2,0,0]=4 578 B10R1.13 NC(=O)C1=CC=C(I)C=C1 D94716 [0,1,0,0,0,1|2,0,0]=4 579 B10R1.13 NC(=O)C1=CC=C(N)C=C1 26019 [0,1,0,0,0,1|2,0,0]=4 580 B10R1.13 NC(=O)C1=CC=C(O)C=C1 D90813 [0,1,0,0,0,1|2,0,0]=4 581 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 O11563 [0,1,0,0,0,1|1,0,1]=4 582 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 AB8937 [0,1,0,0,0,1|1,0,1]=4 583 B10R1.13 NC(=O)C1=CN=C(Cl)C=N1 35602 [0,1,0,0,0,1|1,0,1]=4 584 B10R1.13 NC(=O)C1=CN=C(N)C=C1 32965 [0,1,0,0,0,1|1,0,1]=4 585 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 BL003043 [0,1,0,0,0,1|1,0,1]=4 586 B10R1.13 NC(=O)C1=NC=C(Br)C=N1 26440 [0,1,0,0,0,1|1,0,1]=4 587 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 F51214 [0,1,0,0,0,1|1,0,1]=4 588 B10R1.13 NC(=O)C1=NC=C(F)C=C1 H10045 [0,1,0,0,0,1|1,0,1]=4 589 B10R1.13 NC(=O)C1=NC=C(O)C=C1 P11310 [0,1,0,0,0,1|1,0,1]=4 590 B10R1.13 NC(=O)C1=NN=C(Cl)C=C1 25997 [0,1,0,0,0,1|1,0,1]=4 591 B10R1.13 NC(=O)C1=NN=C(N)C=C1 37899 [0,1,0,0,0,1|1,0,1]=4 592 B10R1.13 NC1=CC=C(C(=O)O)C=C1 20052 [0,1,0,0,0,1|2,0,0]=4 593 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 O12079 [0,1,0,0,0,1|2,0,0]=4 594 B10R1.13 NC1=CN=C(C(=O)O)C=C1 20196 [0,1,0,0,0,1|1,0,1]=4 595 B10R1.13 NC1=CN=C(C(=O)O)C=N1 RB3194 [0,1,0,0,0,1|1,0,1]=4 596 B10R1.13 NC1=NC=C(C(=O)O)C=C1 CL1029 [0,1,0,0,0,1|1,0,1]=4 597 B10R1.13 NC1=NN=C(C(=O)O)C=C1 20191 [0,1,0,0,0,1|1,0,1]=4 598 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 CK1093 [0,1,0,0,0,1|2,0,0]=4 599 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 35169 [0,1,0,0,0,1|2,0,0]=4 600 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 D78310 [0,1,0,0,0,1|1,0,1]=4 601 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 78380 [0,1,0,0,0,1|1,0,1]=4 602 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 AB10302 [0,1,0,0,0,1|2,0,0]=4 603 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 D77513 [0,1,0,0,0,1|2,0,0]=4 604 B10R1.13 O=C(O)C1=CC=C(F)C=C1 D70922 [0,1,0,0,0,1|2,0,0]=4 605 B10R1.13 O=C(O)C1=CC=C(I)C=C1 D70923 [0,1,0,0,0,1|2,0,0]=4 606 B10R1.13 O=C(O)C1=CC=C(O)C=C1 D86505 [0,1,0,0,0,1|2,0,0]=4 607 B10R1.13 O=C(O)C1=CC=C(S)C=C1 22131 [0,1,0,0,0,1|2,0,0]=4 608 B10R1.13 O=C(O)C1=CC=[N+]([O-])C=C1 AC9176 [0,1,0,0,0,1|2,0,0]=4 609 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 56134 [0,1,0,0,0,1|1,0,1]=4 610 B10R1.13 O=C(O)C1=CN=C(Br)C=N1 RB3133 [0,1,0,0,0,1|1,0,1]=4 611 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 CX1097 [0,1,0,0,0,1|1,0,1]=4 612 B10R1.13 O=C(O)C1=CN=C(Cl)C=N1 RB3034 [0,1,0,0,0,1|1,0,1]=4 613 B10R1.13 O=C(O)C1=CN=C(F)C=C1 11221 [0,1,0,0,0,1|1,0,1]=4 614 B10R1.13 O=C(O)C1=CN=C(O)C=C1 CX1100 [0,1,0,0,0,1|1,0,1]=4 615 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 56132 [0,1,0,0,0,1|1,0,1]=4 616 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 23833 [0,1,0,0,0,1|1,0,1]=4 617 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 FD17030 [0,1,0,0,0,1|1,0,1]=4 618 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 27137 [0,1,0,0,0,1|1,0,1]=4 619 B10R1.13 O=C(O)C1=NC=C(F)C=C1 22539 [0,1,0,0,0,1|1,0,1]=4 620 B10R1.13 O=C(O)C1=NC=C(O)C=C1 32448 [0,1,0,0,0,1|1,0,1]=4 621 B10R1.13 O=C(O)C1=NC=C(O)C=C1 CX1286 [0,1,0,0,0,1|1,0,1]=4 622 B10R1.13 O=C(O)C1=NC=C(O)C=C1 W10240 [0,1,0,0,0,1|1,0,1]=4 623 B10R1.13 O=C(O)C1=NC=C(O)N=C1 62307 [0,1,0,0,0,1|1,0,1]=4 624 B10R1.13 O=C(O)C1=NN=C(Cl)C=C1 57277 [0,1,0,0,0,1|1,0,1]=4 625 B10R1.13 O=C(O)C1=NN=C(O)C=C1 20193 [0,1,0,0,0,1|1,0,1]=4 626 B10R1.13 O=C(O)C1=NN=C(O)C=C1 23421 [0,1,0,0,0,1|1,0,1]=4 627 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 D83108 [0,1,0,0,0,1|2,0,0]=4 628 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 D71249 [0,1,0,0,0,1|2,0,0]=4 629 B10R1.13 O=C1C=CC(C(=O)O)=CO1 38123 [0,1,0,0,0,1|2,0,0]=4 630 B10R1.15 C#CC(=O)C1=CC=CC=C1 D94693 [0,1,0,0,0,1|1,0,1]=4 631 B10R1.15 CCC(=O)C1=CN=CC=C1 F16681 [0,1,0,0,0,1|0,0,1]=3 632 B10R1.15 CCC(=O)C1=NC=CC=C1 29347 [0,1,0,0,0,1|0,0,1]=3 633 B10R1.15 CN(N=O)C1=CC=CC=C1 F16699 [0,1,0,0,0,1|2,0,0]=4 634 B10R1.15 CNC(=O)C1=CC=CC=C1 F16588 [0,1,0,0,0,1|1,0,0]=3 635 B10R1.15 CNC(=O)C1=CN=CC=C1 D82023 [0,1,0,0,0,1|0,0,1]=3 636 B10R1.15 COC(=N)C1=CC=CC=C1 77505 [0,1,0,0,0,1|2,0,0]=4 637 B10R1.15 COC(=N)C1=NC=CC=C1 BL009662 [0,1,0,0,0,1|1,0,1]=4 638 B10R1.15 COC(=O)C1=CC=NC=C1 63791 [0,1,0,0,0,1|1,0,0]=3 639 B10R1.15 COC(=O)C1=CN=CC=C1 D87532 [0,1,0,0,0,1|0,0,1]=3 640 B10R1.15 COC(=O)C1=CN=CN=C1 83404 [0,1,0,0,0,1|1,0,1]=4 641 B10R1.15 COC(=O)C1=NC=CC=C1 O11979 [0,1,0,0,0,1|0,0,1]=3 642 B10R1.15 COC(=O)C1=NC=CC=N1 64037 [0,1,0,0,0,1|0,0,1]=3 643 B10R1.15 COC(=O)C1=NC=CN=C1 RB3190 [0,1,0,0,0,1|0,0,1]=3 644 B10R1.15 COC(=O)C1=NC=NC=C1 BL000368 [0,1,0,0,0,1|0,0,1]=3 645 B10R1.15 COC(=O)C1=NN=CC=C1 37091 [0,1,0,0,0,1|0,0,1]=3 646 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 N11940 [0,1,0,0,0,1|2,0,0]=4 647 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 H11244 [0,1,0,0,0,1|1,0,1]=4 648 B10R1.15 C\C(=N/O)C1=CC=CC=C1 D81769 [0,1,0,0,0,1|1,0,1]=4 649 B10R1.15 C\C(=N/O)C1=CN=CC=C1 AB7740 [0,1,0,0,0,1|0,0,2]=4 650 B10R1.15 C\C(=N/O)C1=NC=CC=C1 31312 [0,1,0,0,0,1|0,0,2]=4 651 B10R1.15 N#CC(=O)C1=CC=CC=C1 D88699 [0,1,0,0,0,1|1,0,1]=4 652 B10R1.15 NCC(=O)C1=CC=CC=C1 22016 [0,1,0,0,0,1|1,0,0]=3 653 B10R1.15 NNC(=O)C1=CC=CC=C1 43809 [0,1,0,0,0,1|2,0,0]=4 654 B10R1.15 NNC(=O)C1=CC=NC=C1 D70582 [0,1,0,0,0,1|2,0,0]=4 655 B10R1.15 NNC(=O)C1=CN=CC=C1 F16329 [0,1,0,0,0,1|1,0,1]=4 656 B10R1.15 NNC(=O)C1=NC=CC=C1 70751 [0,1,0,0,0,1|1,0,1]=4 657 B10R1.15 NNC(=O)C1=NC=CN=C1 23187 [0,1,0,0,0,1|1,0,1]=4 658 B10R1.15 NNC(=O)C1=NC=NC=C1 P10398 [0,1,0,0,0,1|1,0,1]=4 659 B10R1.15 O=C(CBr)C1=CC=CC=C1 22015 [0,1,0,0,0,1|1,0,0]=3 660 B10R1.15 O=C(CBr)C1=CC=NC=C1 83434 [0,1,0,0,0,1|1,0,0]=3 661 B10R1.15 O=C(CBr)C1=CC=NC=C1 D87681 [0,1,0,0,0,1|1,0,0]=3 662 B10R1.15 O=C(CBr)C1=CN=CC=C1 54536 [0,1,0,0,0,1|0,0,1]=3 663 B10R1.15 O=C(CBr)C1=NC=CC=C1 23182 [0,1,0,0,0,1|0,0,1]=3 664 B10R1.15 O=C(CCl)C1=CC=NC=C1 30684 [0,1,0,0,0,1|1,0,0]=3 665 B10R1.15 O=C(CCl)C1=CN=CC=C1 24213 [0,1,0,0,0,1|0,0,1]=3 666 B10R1.15 O=C(CF)C1=CC=CC=C1 71741 [0,1,0,0,0,1|1,0,0]=3 667 B10R1.15 O=C(CO)C1=CC=CC=C1 11027 [0,1,0,0,0,1|1,0,0]=3 668 B10R1.15 O=C(NO)C1=CC=CC=C1 D70179 [0,1,0,0,0,1|2,0,0]=4 669 B10R1.15 O=C(N[O-])C1=CC=CC=C1 D88606 [0,1,0,0,0,1|2,0,0]=4 670 B10R1.15 O=CC(=O)C1=CC=CC=C1 O10845 [0,1,0,0,0,1|1,0,1]=4 671 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 76686 [0,1,0,0,0,1|2,0,0]=4 672 B10R1.28 CS(=O)(=O)C1=NC=CC=C1 D95595 [0,1,0,0,0,1|1,0,1]=4 673 B10R1.61 C=C(C)C1=C(N)C=CC=C1 I11393 [0,1,0,0,0,1|2,0,0]=4 674 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 34094 [0,1,0,0,0,1|1,0,0]=3 675 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 37493 [0,1,0,0,0,1|1,0,0]=3 676 B10R1.61 CC(=O)C1=C(C)C=CC=C1 AC7820 [0,1,0,0,0,1|1,0,0]=3 677 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 P20606 [0,1,0,0,0,1|1,0,0]=3 678 B10R1.61 CC(=O)C1=C(F)C=CC=C1 44593 [0,1,0,0,0,1|1,0,0]=3 679 B10R1.61 CC(=O)C1=C(F)C=CC=N1 P10386 [0,1,0,0,0,1|0,0,1]=3 680 B10R1.61 CC(=O)C1=C(F)C=NC=C1 26874 [0,1,0,0,0,1|1,0,0]=3 681 B10R1.61 CC(=O)C1=C(I)C=CC=C1 34151 [0,1,0,0,0,1|1,0,0]=3 682 B10R1.61 CC(=O)C1=C(N)C=CC=C1 36683 [0,1,0,0,0,1|1,0,0]=3 683 B10R1.61 CC(=O)C1=C(N)C=CC=C1 D83209 [0,1,0,0,0,1|1,0,0]=3 684 B10R1.61 CC(=O)C1=C(N)C=NC=C1 50374 [0,1,0,0,0,1|1,0,0]=3 685 B10R1.61 CC(=O)C1=C(N)N=CC=C1 F13139 [0,1,0,0,0,1|0,0,1]=3 686 B10R1.61 CC(=O)C1=C(O)C=CC=C1 D70588 [0,1,0,0,0,1|1,0,0]=3 687 B10R1.61 CC(=O)C1=CC=CN=C1Br 20200 [0,1,0,0,0,1|0,0,1]=3 688 B10R1.61 CC(=O)C1=CC=CN=C1Cl 59616 [0,1,0,0,0,1|0,0,1]=3 689 B10R1.61 CC(=O)C1=NC=CC=C1C 29931 [0,1,0,0,0,1|0,0,1]=3 690 B10R1.61 CC(=O)C1=NC=CN=C1C D81739 [0,1,0,0,0,1|0,0,1]=3 691 B10R1.61 CC(=O)C1=NC=CN=C1Cl 52561 [0,1,0,0,0,1|0,0,1]=3 692 B10R1.61 CC1=C(C(=O)Cl)C=CC=C1 40013 [0,1,0,0,0,1|2,0,0]=4 693 B10R1.61 CC1=C(C(=O)O)C=CC=C1 D77873 [0,1,0,0,0,1|2,0,0]=4 694 B10R1.61 CC1=C(C(=O)O)C=CC=N1 63182 [0,1,0,0,0,1|1,0,1]=4 695 B10R1.61 CC1=C(C(=O)O)C=CN=C1 63805 [0,1,0,0,0,1|2,0,0]=4 696 B10R1.61 CC1=C(C(=O)O)C=NC=C1 64774 [0,1,0,0,0,1|1,0,1]=4 697 B10R1.61 CC1=C(C(N)=O)C=CC=C1 D97423 [0,1,0,0,0,1|2,0,0]=4 698 B10R1.61 CC1=C(C(N)=O)C=CC=N1 83112 [0,1,0,0,0,1|1,0,1]=4 699 B10R1.61 CC1=CC=CN=C1C(=O)O 23371 [0,1,0,0,0,1|1,0,1]=4 700 B10R1.61 CC1=CC=CN=C1C(=O)O 30047 [0,1,0,0,0,1|1,0,1]=4 701 B10R1.61 CC1=CC=CN=C1C(N)=O 30041 [0,1,0,0,0,1|1,0,1]=4 702 B10R1.61 CC1=NC=CN=C1C(=O)O CL3443 [0,1,0,0,0,1|1,0,1]=4 703 B10R1.61 CC1=NC=CN=C1C(N)=O D96758 [0,1,0,0,0,1|1,0,1]=4 704 B10R1.61 C[S@](=O)C1=C(Br)C=CC=C1 T71275 [0,1,0,0,0,1|2,0,0]=4 705 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 F11343 [0,1,0,0,0,1|2,0,0]=4 706 B10R1.61 NC(=O)C1=C(Br)C=CC=N1 D83286 [0,1,0,0,0,1|1,0,1]=4 707 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 25505 [0,1,0,0,0,1|2,0,0]=4 708 B10R1.61 NC(=O)C1=C(Cl)C=CC=C1 78527 [0,1,0,0,0,1|2,0,0]=4 709 B10R1.61 NC(=O)C1=C(Cl)C=CC=N1 CL0289 [0,1,0,0,0,1|1,0,1]=4 710 B10R1.61 NC(=O)C1=C(Cl)C=CN=C1 52346 [0,1,0,0,0,1|1,0,1]=4 711 B10R1.61 NC(=O)C1=C(F)C=CC=C1 75548 [0,1,0,0,0,1|2,0,0]=4 712 B10R1.61 NC(=O)C1=C(I)C=CC=C1 TD1375 [0,1,0,0,0,1|2,0,0]=4 713 B10R1.61 NC(=O)C1=C(N)C=CC=C1 D71115 [0,1,0,0,0,1|2,0,0]=4 714 B10R1.61 NC(=O)C1=C(N)C=CN=C1 24282 [0,1,0,0,0,1|1,0,1]=4 715 B10R1.61 NC(=O)C1=C(N)C=CN=C1 38057 [0,1,0,0,0,1|1,0,1]=4 716 B10R1.61 NC(=O)C1=C(N)C=NC=C1 31593 [0,1,0,0,0,1|2,0,0]=4 717 B10R1.61 NC(=O)C1=C(N)C=NC=C1 CL0131 [0,1,0,0,0,1|2,0,0]=4 718 B10R1.61 NC(=O)C1=C(N)N=CC=C1 CL0049 [0,1,0,0,0,1|1,0,1]=4 719 B10R1.61 NC(=O)C1=CC=CN=C1Br 80213 [0,1,0,0,0,1|1,0,1]=4 720 B10R1.61 NC(=O)C1=CC=CN=C1Cl O10758 [0,1,0,0,0,1|1,0,1]=4 721 B10R1.61 NC(=O)C1=NC=CC=C1N 20232 [0,1,0,0,0,1|1,0,1]=4 722 B10R1.61 NC(=O)C1=NC=CN=C1Cl 36379 [0,1,0,0,0,1|1,0,1]=4 723 B10R1.61 NC(=O)C1=NC=CN=C1O 29919 [0,1,0,0,0,1|1,0,1]=4 724 B10R1.61 NC(=O)C1=NC=CNC1=O C11570 [0,1,0,0,0,1|1,0,1]=4 725 B10R1.61 NC1=C(C(=O)O)C=CC=N1 CX1070 [0,1,0,0,0,1|1,0,1]=4 726 B10R1.61 NC1=C(C(=O)O)C=CN=C1 20104 [0,1,0,0,0,1|2,0,0]=4 727 B10R1.61 NC1=C(C(=O)O)C=NC=C1 CL0180 [0,1,0,0,0,1|1,0,1]=4 728 B10R1.61 NC1=CC=CN=C1C(=O)O CL0127 [0,1,0,0,0,1|1,0,1]=4 729 B10R1.61 NC1=NC=CN=C1C(=O)O 20504 [0,1,0,0,0,1|1,0,1]=4 730 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 D70825 [0,1,0,0,0,1|2,0,0]=4 731 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 F11409 [0,1,0,0,0,1|2,0,0]=4 732 B10R1.61 O=C(Cl)C1=CC=CN=C1Cl F10901 [0,1,0,0,0,1|1,0,1]=4 733 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 AB10300 [0,1,0,0,0,1|2,0,0]=4 734 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 54639 [0,1,0,0,0,1|1,0,1]=4 735 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 21001 [0,1,0,0,0,1|1,0,1]=4 736 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 22146 [0,1,0,0,0,1|2,0,0]=4 737 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 D77315 [0,1,0,0,0,1|2,0,0]=4 738 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 CL0142 [0,1,0,0,0,1|1,0,1]=4 739 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 57485 [0,1,0,0,0,1|1,0,1]=4 740 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 CL0148 [0,1,0,0,0,1|2,0,0]=4 741 B10R1.61 O=C(O)C1=C(F)C=CC=C1 D70123 [0,1,0,0,0,1|2,0,0]=4 742 B10R1.61 O=C(O)C1=C(F)C=CC=N1 22521 [0,1,0,0,0,1|1,0,1]=4 743 B10R1.61 O=C(O)C1=C(F)C=NC=C1 61242 [0,1,0,0,0,1|2,0,0]=4 744 B10R1.61 O=C(O)C1=C(I)C=CC=C1 36681 [0,1,0,0,0,1|2,0,0]=4 745 B10R1.61 O=C(O)C1=C(I)C=CC=N1 25750 [0,1,0,0,0,1|1,0,1]=4 746 B10R1.61 O=C(O)C1=C(I)C=NC=C1 62710 [0,1,0,0,0,1|2,0,0]=4 747 B10R1.61 O=C(O)C1=C(O)C=CC=C1 AC1613 [0,1,0,0,0,1|2,0,0]=4 748 B10R1.61 O=C(O)C1=C(O)C=CC=C1 D70842 [0,1,0,0,0,1|2,0,0]=4 749 B10R1.61 O=C(O)C1=C(O)C=CC=C1 D81871 [0,1,0,0,0,1|2,0,0]=4 750 B10R1.61 O=C(O)C1=C(O)C=CN=C1 BL001825 [0,1,0,0,0,1|1,0,1]=4 751 B10R1.61 O=C(O)C1=C(O)C=NC=C1 CL0149 [0,1,0,0,0,1|2,0,0]=4 752 B10R1.61 O=C(O)C1=C(S)C=CC=C1 AT20777 [0,1,0,0,0,1|2,0,0]=4 753 B10R1.61 O=C(O)C1=CC=CN=C1Br 54586 [0,1,0,0,0,1|1,0,1]=4 754 B10R1.61 O=C(O)C1=CC=CN=C1Cl P16536 [0,1,0,0,0,1|1,0,1]=4 755 B10R1.61 O=C(O)C1=CC=CN=C1F 22142 [0,1,0,0,0,1|1,0,1]=4 756 B10R1.61 O=C(O)C1=CC=CNC1=O AB7337 [0,1,0,0,0,1|1,0,0]=3 757 B10R1.61 O=C(O)C1=CC=CNC1=S 78639 [0,1,0,0,0,1|1,0,0]=3 758 B10R1.61 O=C(O)C1=CC=NNC1=O 27541 [0,1,0,0,0,1|2,0,0]=4 759 B10R1.61 O=C(O)C1=CN=CNC1=O FD7408 [0,1,0,0,0,1|2,0,0]=4 760 B10R1.61 O=C(O)C1=NC=CC=C1O 33773 [0,1,0,0,0,1|1,0,1]=4 761 B10R1.61 O=C(O)C1=NC=CN=C1Cl 58252 [0,1,0,0,0,1|1,0,1]=4 762 B10R1.61 O=C(O)C1=NC=CN=C1O AB2876 [0,1,0,0,0,1|1,0,1]=4 763 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 CK1072 [0,1,0,0,0,1|2,0,0]=4 764 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 A11496 [0,1,0,0,0,1|2,0,0]=4 765 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D83111 [0,1,0,0,0,1|2,0,0]=4 766 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D95369 [0,1,0,0,0,1|2,0,0]=4 767 B10R1.61 O=C([O-])C1=C(S)C=CC=C1 D92321 [0,1,0,0,0,1|2,0,0]=4 768 B10R1.61 O=C1C=CNC=C1[N+](=O)[O-] 64520 [0,1,0,0,0,1|2,0,0]=4 769 B10R1.61 O=C1NC=CC=C1[N+](=O)[O-] 26512 [0,1,0,0,0,1|2,0,0]=4 770 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 71412 [0,1,0,0,0,1|0,0,1]=3 771 B10R1.113 CC(=O)C1=CC(C)=CC=C1 28342 [0,1,0,0,0,1|1,0,0]=3 772 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 80227 [0,1,0,0,0,1|1,0,0]=3 773 B10R1.113 CC(=O)C1=CC(N)=CC=C1 D70852 [0,1,0,0,0,1|1,0,0]=3 774 B10R1.113 CC(=O)C1=CC(O)=CC=C1 44505 [0,1,0,0,0,1|1,0,0]=3 775 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 D70815 [0,1,0,0,0,1|1,0,0]=3 776 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 34635 [0,1,0,0,0,1|0,0,1]=3 777 B10R1.113 CC(=O)C1=CC=CC(Cl)=N1 AB8941 [0,1,0,0,0,1|0,0,1]=3 778 B10R1.113 CC(=O)C1=CC=CC(F)=C1 34142 [0,1,0,0,0,1|1,0,0]=3 779 B10R1.113 CC(=O)C1=CC=CC(I)=C1 CK2572 [0,1,0,0,0,1|1,0,0]=3 780 B10R1.113 CC(=O)C1=CC=NC(Cl)=N1 89643 [0,1,0,0,0,1|0,0,1]=3 781 B10R1.113 CC(=O)C1=CN=CC(C)=C1 I11175 [0,1,0,0,0,1|0,0,1]=3 782 B10R1.113 CC(=O)C1=NC(C)=CC=C1 34681 [0,1,0,0,0,1|0,0,1]=3 783 B10R1.113 CC(=O)C1=NC=CC(C)=C1 AB1018 [0,1,0,0,0,1|0,0,1]=3 784 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 72047 [0,1,0,0,0,1|0,0,1]=3 785 B10R1.113 CC(=O)C1=NC=NC(C)=C1 FD13029 [0,1,0,0,0,1|0,0,1]=3 786 B10R1.113 CC1=CC(C(=O)O)=CN=C1 63156 [0,1,0,0,0,1|1,0,1]=4 787 B10R1.113 CC1=CC(C(=O)O)=NC=C1 59430 [0,1,0,0,0,1|1,0,1]=4 788 B10R1.113 CC1=CC(C(=O)O)=NC=N1 P10833 [0,1,0,0,0,1|1,0,1]=4 789 B10R1.113 CC1=CC(C(N)=O)=CN=C1 AB11819 [0,1,0,0,0,1|1,0,1]=4 790 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 D78225 [0,1,0,0,0,1|2,0,0]=4 791 B10R1.113 CC1=CC=CC(C(=O)O)=C1 D70873 [0,1,0,0,0,1|2,0,0]=4 792 B10R1.113 CC1=CC=CC(C(=O)O)=N1 CL0233 [0,1,0,0,0,1|1,0,1]=4 793 B10R1.113 CC1=CC=NC(C(N)=O)=N1 D82541 [0,1,0,0,0,1|1,0,1]=4 794 B10R1.113 CC1=CN=CC(C(=O)O)=N1 25557 [0,1,0,0,0,1|1,0,1]=4 795 B10R1.113 CC1=CN=CC(C(N)=O)=N1 D80234 [0,1,0,0,0,1|1,0,1]=4 796 B10R1.113 CC1=NC=CC(C(=O)O)=C1 63948 [0,1,0,0,0,1|2,0,0]=4 797 B10R1.113 CC1=NC=CC(C(=O)O)=N1 24979 [0,1,0,0,0,1|1,0,1]=4 798 B10R1.113 C[N+]1=CC=CC(C(=O)O)=C1 42967 [0,1,0,0,0,1|1,0,1]=4 799 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 D80780 [0,1,0,0,0,1|1,0,1]=4 800 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 D91325 [0,1,0,0,0,1|1,0,1]=4 801 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 20585 [0,1,0,0,0,1|1,0,1]=4 802 B10R1.113 NC(=O)C1=CC(Br)=NC=C1 F19938 [0,1,0,0,0,1|2,0,0]=4 803 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 78772 [0,1,0,0,0,1|2,0,0]=4 804 B10R1.113 NC(=O)C1=CC(F)=CN=C1 29187 [0,1,0,0,0,1|1,0,1]=4 805 B10R1.113 NC(=O)C1=CC(N)=CC=C1 35377 [0,1,0,0,0,1|2,0,0]=4 806 B10R1.113 NC(=O)C1=CC(N)=NC=C1 29050 [0,1,0,0,0,1|2,0,0]=4 807 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 26029 [0,1,0,0,0,1|2,0,0]=4 808 B10R1.113 NC(=O)C1=CC=CC(Br)=N1 56614 [0,1,0,0,0,1|1,0,1]=4 809 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 D70126 [0,1,0,0,0,1|2,0,0]=4 810 B10R1.113 NC(=O)C1=CC=CC(F)=C1 D71217 [0,1,0,0,0,1|2,0,0]=4 811 B10R1.113 NC(=O)C1=CC=CC(F)=N1 88350 [0,1,0,0,0,1|1,0,1]=4 812 B10R1.113 NC(=O)C1=CC=CC(I)=C1 T71545 [0,1,0,0,0,1|2,0,0]=4 813 B10R1.113 NC(=O)C1=CN=CC(Cl)=N1 78115 [0,1,0,0,0,1|1,0,1]=4 814 B10R1.113 NC(=O)C1=CN=CC(N)=C1 25964 [0,1,0,0,0,1|1,0,1]=4 815 B10R1.113 NC(=O)C1=C[N+]([O-])=CC=C1 78309 [0,1,0,0,0,1|1,0,1]=4 816 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 39241 [0,1,0,0,0,1|1,0,1]=4 817 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 CL0190 [0,1,0,0,0,1|1,0,1]=4 818 B10R1.113 NC(=O)C1=NC=CC(F)=C1 30416 [0,1,0,0,0,1|1,0,1]=4 819 B10R1.113 NC1=CC(C(=O)O)=CN=C1 23148 [0,1,0,0,0,1|1,0,1]=4 820 B10R1.113 NC1=CC(C(=O)O)=NC=C1 31876 [0,1,0,0,0,1|1,0,1]=4 821 B10R1.113 NC1=CC(C(=O)O)=NC=C1 36296 [0,1,0,0,0,1|1,0,1]=4 822 B10R1.113 NC1=CC(C(=O)O)=NC=C1 CL0353 [0,1,0,0,0,1|1,0,1]=4 823 B10R1.113 NC1=CC(C(=O)O)=NC=N1 D84123 [0,1,0,0,0,1|1,0,1]=4 824 B10R1.113 NC1=CC=CC(C(=O)O)=C1 D70484 [0,1,0,0,0,1|2,0,0]=4 825 B10R1.113 NC1=CC=CC(C(=O)O)=N1 CL0230 [0,1,0,0,0,1|1,0,1]=4 826 B10R1.113 NC1=NC=CC(C(=O)O)=C1 20144 [0,1,0,0,0,1|2,0,0]=4 827 B10R1.113 NC1=NC=CC(C(=O)O)=N1 BL000508 [0,1,0,0,0,1|1,0,1]=4 828 B10R1.113 O=C(Cl)C1=CC(Br)=CN=C1 A10427 [0,1,0,0,0,1|1,0,1]=4 829 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 75835 [0,1,0,0,0,1|2,0,0]=4 830 B10R1.113 O=C(Cl)C1=CC=CC(Br)=C1 67715 [0,1,0,0,0,1|2,0,0]=4 831 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=C1 D77316 [0,1,0,0,0,1|2,0,0]=4 832 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 AB6459 [0,1,0,0,0,1|1,0,1]=4 833 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 52660 [0,1,0,0,0,1|2,0,0]=4 834 B10R1.113 O=C(O)C1=CC(Cl)=CN=C1 33164 [0,1,0,0,0,1|1,0,1]=4 835 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 P16537 [0,1,0,0,0,1|2,0,0]=4 836 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 P10631 [0,1,0,0,0,1|1,0,1]=4 837 B10R1.113 O=C(O)C1=CC(F)=CN=C1 82240 [0,1,0,0,0,1|1,0,1]=4 838 B10R1.113 O=C(O)C1=CC(F)=NC=C1 22391 [0,1,0,0,0,1|2,0,0]=4 839 B10R1.113 O=C(O)C1=CC(I)=CN=C1 26596 [0,1,0,0,0,1|1,0,1]=4 840 B10R1.113 O=C(O)C1=CC(I)=NC=C1 A10522 [0,1,0,0,0,1|2,0,0]=4 841 B10R1.113 O=C(O)C1=CC(O)=NC=C1 62227 [0,1,0,0,0,1|2,0,0]=4 842 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 22039 [0,1,0,0,0,1|2,0,0]=4 843 B10R1.113 O=C(O)C1=CC=CC(Br)=N1 56092 [0,1,0,0,0,1|1,0,1]=4 844 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 AC7860 [0,1,0,0,0,1|2,0,0]=4 845 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 58082 [0,1,0,0,0,1|1,0,1]=4 846 B10R1.113 O=C(O)C1=CC=CC(F)=C1 AC7508 [0,1,0,0,0,1|2,0,0]=4 847 B10R1.113 O=C(O)C1=CC=CC(F)=N1 88349 [0,1,0,0,0,1|1,0,1]=4 848 B10R1.113 O=C(O)C1=CC=CC(I)=C1 36348 [0,1,0,0,0,1|2,0,0]=4 849 B10R1.113 O=C(O)C1=CC=CC(S)=C1 C10086 [0,1,0,0,0,1|2,0,0]=4 850 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 24532 [0,1,0,0,0,1|1,0,1]=4 851 B10R1.113 O=C(O)C1=CN=CC(Br)=N1 Y10050 [0,1,0,0,0,1|1,0,1]=4 852 B10R1.113 O=C(O)C1=CN=CC(Cl)=N1 RB3064 [0,1,0,0,0,1|1,0,1]=4 853 B10R1.113 O=C(O)C1=CN=CC(O)=C1 69574 [0,1,0,0,0,1|1,0,1]=4 854 B10R1.113 O=C(O)C1=C[N+]([O-])=CC=C1 AC8656 [0,1,0,0,0,1|1,0,1]=4 855 B10R1.113 O=C(O)C1=NC(O)=CC=C1 22204 [0,1,0,0,0,1|1,0,1]=4 856 B10R1.113 O=C(O)C1=NC(O)=NC=C1 24239 [0,1,0,0,0,1|1,0,1]=4 857 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 54504 [0,1,0,0,0,1|1,0,1]=4 858 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 57846 [0,1,0,0,0,1|1,0,1]=4 859 B10R1.113 O=C(O)C1=NC=CC(I)=C1 CL0291 [0,1,0,0,0,1|1,0,1]=4 860 B10R1.113 O=C(O)C1=NC=CC(O)=C1 52376 [0,1,0,0,0,1|1,0,1]=4 861 B10R1.113 O=C(O)C1=NC=NC(O)=C1 63339 [0,1,0,0,0,1|1,0,1]=4 862 B10R1.113 O=C1C=COC(C(=O)O)=C1 78186 [0,1,0,0,0,1|2,0,0]=4 863 B10R1.113 O=C1C=NC=C(C(=O)O)N1 O11623 [0,1,0,0,0,1|1,0,0]=3 864 B10R1.113 O=C1CC(C(=O)O)=CC=N1 D72730 [0,1,0,0,0,1|2,0,0]=4 865 B10R1.113 O=C1N=CC=C(C(=O)O)N1 26790 [0,1,0,0,0,1|1,0,0]=3 866 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 A50311 [0,1,0,0,0,1|2,0,0]=4 867 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 D83264 [0,1,0,0,0,1|2,0,0]=4 868 B10R1.23 O=C(O)C(=O)C1=CC=CS1 C80077 [0,1,0,0,0,1|2,0,0]=4 869 B10R1.27 COC(=O)CC1=CC=CS1 D70882 [0,1,0,0,0,1|1,0,0]=3 870 B10R1.27 COC(=O)CC1=CSC=C1 P10051 [0,1,0,0,0,1|2,0,0]=4 871 B10R1.54 CC(=O)NC1=NC(C)=CS1 C13635 [0,1,0,0,0,1|1,0,1]=4 872 B10R1.54 CC(=O)NC1=NC=C(Br)S1 81300 [0,1,0,0,0,1|1,0,1]=4 873 B10R1.54 CC(=O)NC1=NC=C(Cl)S1 D97755 [0,1,0,0,0,1|1,0,1]=4 874 B10R1.54 CC(=O)NC1=NNC(C)=C1 W12887 [0,1,0,0,0,1|1,0,1]=4 875 B10R1.54 O=C(O)CC1=CC(Br)=CS1 D97326 [0,1,0,0,0,1|2,0,0]=4 876 B10R1.54 O=C(O)CC1=CC=C(Cl)S1 71335 [0,1,0,0,0,1|2,0,0]=4 877 B10R1.11 CCOC(=O)C1=CC=CN1 60866 [0,2,0,0,0,0|0,0,0]=2 878 B10R1.11 CCOC(=O)C1=CC=CO1 H11621 [0,2,0,0,0,0|1,0,0]=3 879 B10R1.11 CCOC(=O)C1=CC=CS1 76537 [0,2,0,0,0,0|1,0,0]=3 880 B10R1.11 CCOC(=O)C1=CC=NO1 F13842 [0,2,0,0,0,0|2,0,0]=4 881 B10R1.11 CCOC(=O)C1=CN=CO1 23210 [0,2,0,0,0,0|2,0,0]=4 882 B10R1.11 CCOC(=O)C1=CN=CS1 69868 [0,2,0,0,0,0|2,0,0]=4 883 B10R1.11 CCOC(=O)C1=CNC=C1 26995 [0,2,0,0,0,0|2,0,0]=4 884 B10R1.11 CCOC(=O)C1=CNC=N1 60951 [0,2,0,0,0,0|1,0,1]=4 885 B10R1.11 CCOC(=O)C1=COC=C1 N11964 [0,2,0,0,0,0|2,0,0]=4 886 B10R1.11 CCOC(=O)C1=COC=N1 25319 [0,2,0,0,0,0|1,0,1]=4 887 B10R1.11 CCOC(=O)C1=CSC=C1 33869 [0,2,0,0,0,0|2,0,0]=4 888 B10R1.11 CCOC(=O)C1=CSC=N1 CL2512 [0,2,0,0,0,0|1,0,1]=4 889 B10R1.11 CCOC(=O)C1=NC=CN1 CL2212 [0,2,0,0,0,0|1,0,0]=3 890 B10R1.11 CCOC(=O)C1=NC=CO1 25317 [0,2,0,0,0,0|1,0,1]=4 891 B10R1.11 CCOC(=O)C1=NNC=C1 61496 [0,2,0,0,0,0|1,0,1]=4 892 B10R1.11 CCOC(=O)C1=NOC=C1 33341 [0,2,0,0,0,0|1,0,1]=4 893 B10R1.11 N#CCC(=O)C1=CC=CN1 71647 [0,2,0,0,0,0|0,0,0]=2 894 B10R1.11 N#CCC(=O)C1=CC=CO1 W11912 [0,2,0,0,0,0|1,0,0]=3 895 B10R1.11 N#CCC(=O)C1=CC=CS1 P10049 [0,2,0,0,0,0|1,0,0]=3 896 B10R1.14 CC1=NNC(C(=O)NN)=C1 AT10954 [0,2,0,0,0,0|2,0,0]=4 897 B10R1.14 CCC(=O)C1=CC=C(Br)S1 W15743 [0,2,0,0,0,0|1,0,0]=3 898 B10R1.14 CCC(=O)C1=CC=C(C)O1 N10391 [0,2,0,0,0,0|1,0,0]=3 899 B10R1.14 CNC(=O)C1=CSC(Br)=N1 D94836 [0,2,0,0,0,0|1,0,1]=4 900 B10R1.14 COC(=O)C1=CC(Br)=CN1 CL2807 [0,2,0,0,0,0|0,0,0]=2 901 B10R1.14 COC(=O)C1=CC(Br)=CO1 25677 [0,2,0,0,0,0|1,0,0]=3 902 B10R1.14 COC(=O)C1=CC(Br)=CS1 25584 [0,2,0,0,0,0|1,0,0]=3 903 B10R1.14 COC(=O)C1=CC(Br)=NN1 D70033 [0,2,0,0,0,0|1,0,0]=3 904 B10R1.14 COC(=O)C1=CC(N)=CS1 26318 [0,2,0,0,0,0|1,0,0]=3 905 B10R1.14 COC(=O)C1=CC(N)=NN1 38195 [0,2,0,0,0,0|1,0,0]=3 906 B10R1.14 COC(=O)C1=CC(O)=NO1 11171 [0,2,0,0,0,0|2,0,0]=4 907 B10R1.14 COC(=O)C1=CC=C(Br)N1 26294 [0,2,0,0,0,0|0,0,0]=2 908 B10R1.14 COC(=O)C1=CC=C(Br)O1 33174 [0,2,0,0,0,0|1,0,0]=3 909 B10R1.14 COC(=O)C1=CC=C(Br)S1 24044 [0,2,0,0,0,0|1,0,0]=3 910 B10R1.14 COC(=O)C1=CC=C(C)N1 F19949 [0,2,0,0,0,0|0,0,0]=2 911 B10R1.14 COC(=O)C1=CC=C(C)O1 Y10250 [0,2,0,0,0,0|1,0,0]=3 912 B10R1.14 COC(=O)C1=CC=C(C)S1 S10433 [0,2,0,0,0,0|1,0,0]=3 913 B10R1.14 COC(=O)C1=CC=C(N)O1 38243 [0,2,0,0,0,0|1,0,0]=3 914 B10R1.14 COC(=O)C1=CC=C(N)S1 26088 [0,2,0,0,0,0|1,0,0]=3 915 B10R1.14 COC(=O)C1=CN(C)C=N1 VT1447 [0,2,0,0,0,0|1,0,1]=4 916 B10R1.14 COC(=O)C1=CN=C(Br)S1 33092 [0,2,0,0,0,0|2,0,0]=4 917 B10R1.14 COC(=O)C1=CN=C(C)O1 64594 [0,2,0,0,0,0|2,0,0]=4 918 B10R1.14 COC(=O)C1=CN=C(C)S1 F12364 [0,2,0,0,0,0|2,0,0]=4 919 B10R1.14 COC(=O)C1=CN=C(Cl)S1 24982 [0,2,0,0,0,0|2,0,0]=4 920 B10R1.14 COC(=O)C1=CN=C(N)S1 82899 [0,2,0,0,0,0|2,0,0]=4 921 B10R1.14 COC(=O)C1=COC(C)=N1 49472 [0,2,0,0,0,0|1,0,1]=4 922 B10R1.14 COC(=O)C1=COC(Cl)=N1 35980 [0,2,0,0,0,0|1,0,1]=4 923 B10R1.14 COC(=O)C1=CSC(Br)=C1 P11679 [0,2,0,0,0,0|2,0,0]=4 924 B10R1.14 COC(=O)C1=CSC(Br)=N1 64123 [0,2,0,0,0,0|1,0,1]=4 925 B10R1.14 COC(=O)C1=CSC(C)=N1 S10725 [0,2,0,0,0,0|1,0,1]=4 926 B10R1.14 COC(=O)C1=CSC(Cl)=C1 38490 [0,2,0,0,0,0|2,0,0]=4 927 B10R1.14 COC(=O)C1=CSC(Cl)=N1 CL2506 [0,2,0,0,0,0|1,0,1]=4 928 B10R1.14 COC(=O)C1=CSC(N)=N1 34082 [0,2,0,0,0,0|1,0,1]=4 929 B10R1.14 COC(=O)C1=NC(Br)=CN1 D82705 [0,2,0,0,0,0|1,0,0]=3 930 B10R1.14 COC(=O)C1=NC(Br)=CS1 CS1491 [0,2,0,0,0,0|1,0,1]=4 931 B10R1.14 COC(=O)C1=NC(Br)=NN1 72381 [0,2,0,0,0,0|2,0,0]=4 932 B10R1.14 COC(=O)C1=NC(C)=CS1 35804 [0,2,0,0,0,0|1,0,1]=4 933 B10R1.14 COC(=O)C1=NC(Cl)=NN1 F14181 [0,2,0,0,0,0|2,0,0]=4 934 B10R1.14 COC(=O)C1=NC(N)=NN1 39411 [0,2,0,0,0,0|2,0,0]=4 935 B10R1.14 COC(=O)C1=NC=C(C)O1 P10796 [0,2,0,0,0,0|1,0,1]=4 936 B10R1.14 COC(=O)C1=NN(C)C=C1 32285 [0,2,0,0,0,0|1,0,1]=4 937 B10R1.14 COC(=O)C1=NN=C(Br)N1 26631 [0,2,0,0,0,0|2,0,0]=4 938 B10R1.14 COC(=O)C1=NNC(Br)=C1 36428 [0,2,0,0,0,0|1,0,1]=4 939 B10R1.14 COC(=O)C1=NNC(C)=C1 F11978 [0,2,0,0,0,0|1,0,1]=4 940 B10R1.14 COC(=O)C1=NOC(C)=C1 76675 [0,2,0,0,0,0|1,0,1]=4 941 B10R1.14 NNC(=O)C1=CC=C(Br)O1 D95740 [0,2,0,0,0,0|2,0,0]=4 942 B10R1.14 NNC(=O)C1=CC=C(Br)S1 78093 [0,2,0,0,0,0|2,0,0]=4 943 B10R1.14 O=C(CBr)C1=CC=C(Cl)S1 S12170 [0,2,0,0,0,0|1,0,0]=3 944 B10R1.149 CN1C=CC=C1C(=O)CBr D82711 [0,2,0,0,0,0|0,0,0]=2 945 B10R1.149 CN1C=CC=C1C(=O)CCl 30853 [0,2,0,0,0,0|0,0,0]=2 946 B10R1.149 CN1C=CN=C1C(=O)CBr D81894 [0,2,0,0,0,0|1,0,0]=3 947 B10R1.149 COC(=O)C1=C(Br)C=CN1 32712 [0,2,0,0,0,0|0,0,0]=2 948 B10R1.149 COC(=O)C1=C(Br)C=CS1 23408 [0,2,0,0,0,0|1,0,0]=3 949 B10R1.149 COC(=O)C1=C(Br)SC=C1 F10378 [0,2,0,0,0,0|2,0,0]=4 950 B10R1.149 COC(=O)C1=C(Br)SC=N1 CL2513 [0,2,0,0,0,0|1,0,1]=4 951 B10R1.149 COC(=O)C1=C(C)C=CO1 F16312 [0,2,0,0,0,0|1,0,0]=3 952 B10R1.149 COC(=O)C1=C(C)C=CS1 64772 [0,2,0,0,0,0|1,0,0]=3 953 B10R1.149 COC(=O)C1=C(C)N=CS1 23937 [0,2,0,0,0,0|2,0,0]=4 954 B10R1.149 COC(=O)C1=C(C)NC=C1 D94975 [0,2,0,0,0,0|2,0,0]=4 955 B10R1.149 COC(=O)C1=C(C)OC=C1 91172 [0,2,0,0,0,0|2,0,0]=4 956 B10R1.149 COC(=O)C1=C(C)OC=N1 23804 [0,2,0,0,0,0|1,0,1]=4 957 B10R1.149 COC(=O)C1=C(C)SC=C1 24731 [0,2,0,0,0,0|2,0,0]=4 958 B10R1.149 COC(=O)C1=C(Cl)C=CN1 25943 [0,2,0,0,0,0|0,0,0]=2 959 B10R1.149 COC(=O)C1=C(Cl)C=CS1 29725 [0,2,0,0,0,0|1,0,0]=3 960 B10R1.149 COC(=O)C1=C(Cl)SC=C1 C76443 [0,2,0,0,0,0|2,0,0]=4 961 B10R1.149 COC(=O)C1=C(F)C=CS1 A11289 [0,2,0,0,0,0|1,0,0]=3 962 B10R1.149 COC(=O)C1=C(I)C=CS1 F14184 [0,2,0,0,0,0|1,0,0]=3 963 B10R1.149 COC(=O)C1=C(N)C=CO1 59870 [0,2,0,0,0,0|1,0,0]=3 964 B10R1.149 COC(=O)C1=C(N)C=CO1 P16240 [0,2,0,0,0,0|1,0,0]=3 965 B10R1.149 COC(=O)C1=C(N)C=CS1 26087 [0,2,0,0,0,0|1,0,0]=3 966 B10R1.149 COC(=O)C1=C(N)C=NN1 26680 [0,2,0,0,0,0|1,0,0]=3 967 B10R1.149 COC(=O)C1=C(N)NC=N1 87452 [0,2,0,0,0,0|1,0,1]=4 968 B10R1.149 COC(=O)C1=C(N)SC=C1 74370 [0,2,0,0,0,0|2,0,0]=4 969 B10R1.149 COC(=O)C1=C(O)C=CS1 F14183 [0,2,0,0,0,0|1,0,0]=3 970 B10R1.149 COC(=O)C1=CC=CN1C 64035 [0,2,0,0,0,0|0,0,0]=2 971 B10R1.149 COC(=O)C1=CC=NN1C 26263 [0,2,0,0,0,0|1,0,0]=3 972 B10R1.149 COC(=O)C1=CN=CN1C CL2208 [0,2,0,0,0,0|1,0,0]=3 973 B10R1.149 COC(=O)C1=CNC=C1C P15508 [0,2,0,0,0,0|2,0,0]=4 974 B10R1.149 COC(=O)C1=CSC=C1N 23611 [0,2,0,0,0,0|2,0,0]=4 975 B10R1.149 COC(=O)C1=NC=CN1C P10222 [0,2,0,0,0,0|1,0,0]=3 976 B10R1.149 COC(=O)C1=NC=NN1C W10886 [0,2,0,0,0,0|2,0,0]=4 977 B10R1.149 COC(=O)C1=NNC=C1Br 24582 [0,2,0,0,0,0|1,0,1]=4 978 B10R1.149 COC(=O)C1=NNC=C1Cl 36115 [0,2,0,0,0,0|1,0,1]=4 979 B10R1.31 CC(=O)C1=CC=C(C#N)S1 89047 [0,2,0,0,0,0|1,0,0]=3 980 B10R1.31 CC(=O)C1=CC=C(C=O)S1 C75230 [0,2,0,0,0,0|1,0,0]=3 981 B10R1.31 CSC1=CC=C(C(=O)O)S1 W17807 [0,2,0,0,0,0|2,0,0]=4 982 B10R1.31 N#CC1=CNC(C(=O)O)=C1 59469 [0,2,0,0,0,0|1,0,0]=3 983 B10R1.31 O=C(O)C1=CC(CO)=CS1 D82538 [0,2,0,0,0,0|2,0,0]=4 984 B10R1.31 O=C(O)C1=CC=C(CO)O1 67726 [0,2,0,0,0,0|2,0,0]=4 985 B10R1.31 O=CC1=CC=C(C(=O)O)N1 F17110 [0,2,0,0,0,0|1,0,0]=3 986 B10R1.31 O=CC1=CC=C(C(=O)O)O1 O11442 [0,2,0,0,0,0|2,0,0]=4 987 B10R1.31 O=CC1=CC=C(C(=O)O)S1 76294 [0,2,0,0,0,0|2,0,0]=4 988 B10R1.58 CC1=C(Br)SC(C(=O)O)=C1 F19706 [0,2,0,0,0,0|2,0,0]=4 989 B10R1.58 CC1=C(C)OC(C(=O)O)=C1 83430 [0,2,0,0,0,0|2,0,0]=4 990 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 33084 [0,2,0,0,0,0|2,0,0]=4 991 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 91269 [0,2,0,0,0,0|2,0,0]=4 992 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)S1 26271 [0,2,0,0,0,0|2,0,0]=4 993 B10R1.59 CC(=O)C1=C(Br)SC(Br)=C1 AC1204 [0,2,0,0,0,0|2,0,0]=4 994 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 F20383 [0,2,0,0,0,0|2,0,0]=4 995 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 54397 [0,2,0,0,0,0|2,0,0]=4 996 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 AT17488 [0,2,0,0,0,0|2,0,0]=4 997 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 O10254 [0,2,0,0,0,0|2,0,0]=4 998 B10R1.59 CC(=O)C1=C(Cl)SC(Cl)=C1 P10027 [0,2,0,0,0,0|2,0,0]=4 999 B10R1.59 CC1=C(C(=O)O)OC(Br)=C1 F19166 [0,2,0,0,0,0|2,0,0]=4 1000 B10R1.59 CC1=C(C(=O)O)SC(Br)=C1 73459 [0,2,0,0,0,0|2,0,0]=4 1001 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 CL3405 [0,2,0,0,0,0|2,0,0]=4 1002 B10R1.59 CC1=NN(C)C(C(N)=O)=C1 TD8060 [0,2,0,0,0,0|2,0,0]=4 1003 B10R1.194 CC1=C(C(=O)O)SC=C1Br H10542 [0,2,0,0,0,0|2,0,0]=4 1004 B10R1.194 CC1=CNC(C(=O)O)=C1C 38037 [0,2,0,0,0,0|1,0,0]=3 1005 B10R1.194 CC1=CSC(C(=O)O)=C1Cl W16284 [0,2,0,0,0,0|2,0,0]=4 1006 B10R1.194 CC1=NC=C(C(=O)O)N1C W10998 [0,2,0,0,0,0|2,0,0]=4 1007 B10R1.194 CN1C(C(=O)O)=CN=C1S W11425 [0,2,0,0,0,0|2,0,0]=4 1008 B10R1.39 CCN1C=CC=C1C(C)=O AC7924 [0,2,0,0,0,0|0,0,0]=2 1009 B10R1.39 CCN1N=CC=C1C(=O)O 30872 [0,2,0,0,0,0|2,0,0]=4 1010 B10R1.39 N#CC1=C(C(N)=O)NC=N1 D89395 [0,2,0,0,0,0|2,0,0]=4 1011 B10R1.192 CC(=O)C1=C(C)NC=C1C S10046 [0,2,0,0,0,0|2,0,0]=4 1012 B10R1.192 CN1N=CC(Br)=C1C(=O)O 71214 [0,2,0,0,0,0|2,0,0]=4 1013 B10R1.192 CN1N=CC(I)=C1C(=O)O 24519 [0,2,0,0,0,0|2,0,0]=4 1014 B8R1.4 CC1=CC(N)=NC=C1 AB2620 [0,0,1,1,0,0|2,0,0]=4 1015 B8R1.4 CC1=CC=CC(Br)=C1 A10695 [0,0,1,1,0,0|2,0,0]=4 1016 B8R1.4 CC1=CC=CC(Br)=N1 63005 [0,0,1,1,0,0|2,0,0]=4 1017 B8R1.4 CC1=CC=CC(Cl)=N1 22110 [0,0,1,1,0,0|2,0,0]=4 1018 B8R1.4 CC1=CC=CC(F)=N1 D70847 [0,0,1,1,0,0|2,0,0]=4 1019 B8R1.4 CC1=CC=CC(I)=C1 AC7852 [0,0,1,1,0,0|2,0,0]=4 1020 B8R1.4 CC1=CC=CC(N)=C1 D85823 [0,0,1,1,0,0|1,0,0]=3 1021 B8R1.4 CC1=CC=CC(N)=C1 D97463 [0,0,1,1,0,0|1,0,0]=3 1022 B8R1.4 CC1=CC=CC(N)=N1 RB1111 [0,0,1,1,0,0|1,0,0]=3 1023 B8R1.4 CC1=CC=CC(O)=N1 W10567 [0,0,1,1,0,0|2,0,0]=4 1024 B8R1.4 CC1=CC=CC(S)=N1 C73538 [0,0,1,1,0,0|2,0,0]=4 1025 B8R1.4 CC1=CC=NC(N)=N1 20138 [0,0,1,1,0,0|2,0,0]=4 1026 B8R1.4 CC1=CN=CC(N)=C1 20202 [0,0,1,1,0,0|2,0,0]=4 1027 B8R1.4 CC1=CN=CC(N)=C1 22497 [0,0,1,1,0,0|2,0,0]=4 1028 B8R1.4 CC1=CN=CC(N)=N1 BL002901 [0,0,1,1,0,0|2,0,0]=4 1029 B8R1.4 CC1=NC=CC(N)=C1 CL0056 [0,0,1,1,0,0|2,0,0]=4 1030 B8R1.4 CC1=NC=CC(N)=N1 78900 [0,0,1,1,0,0|2,0,0]=4 1031 B8R1.4 NC1=CC(=O)NC=C1 P10774 [0,0,1,1,0,0|1,0,1]=4 1032 B8R1.4 NC1=CC=CC(=O)N1 33727 [0,0,1,1,0,0|1,0,0]=3 1033 B8R1.4 NC1=CC=CC(Br)=N1 CL0046 [0,0,1,1,0,0|2,0,0]=4 1034 B8R1.4 NC1=CC=CC(Cl)=C1 CK1168 [0,0,1,1,0,0|1,0,1]=4 1035 B8R1.4 NC1=CC=CC(Cl)=N1 CL0045 [0,0,1,1,0,0|2,0,0]=4 1036 B8R1.4 NC1=CC=CC(F)=C1 36796 [0,0,1,1,0,0|1,0,1]=4 1037 B8R1.4 NC1=CC=CC(F)=C1 61028 [0,0,1,1,0,0|1,0,1]=4 1038 B8R1.4 NC1=CC=CC(F)=N1 22541 [0,0,1,1,0,0|2,0,0]=4 1039 B8R1.4 NC1=CC=CC(I)=C1 N10375 [0,0,1,1,0,0|1,0,1]=4 1040 B8R1.4 NC1=CC=CC(N)=C1 D92171 [0,0,1,1,0,0|1,0,1]=4 1041 B8R1.4 NC1=CC=CC(N)=C1 H10767 [0,0,1,1,0,0|1,0,1]=4 1042 B8R1.4 NC1=CC=CC(N)=N1 D77864 [0,0,1,1,0,0|2,0,0]=4 1043 B8R1.4 NC1=CC=CC(N)=N1 D95779 [0,0,1,1,0,0|2,0,0]=4 1044 B8R1.4 NC1=CC=CC(O)=C1 D95823 [0,0,1,1,0,0|0,0,2]=4 1045 B8R1.4 NC1=CC=CC(O)=N1 28394 [0,0,1,1,0,0|1,0,1]=4 1046 B8R1.4 NC1=CC=CC(S)=C1 AT20842 [0,0,1,1,0,0|0,1,1]=4 1047 B8R1.4 NC1=CC=NC(=O)N1 22302 [0,0,1,1,0,0|2,0,0]=4 1048 B8R1.4 NC1=NC=CC(=O)N1 23181 [0,0,1,1,0,0|2,0,0]=4 1049 B8R1.4 O=C1C=CNC(=O)C1 D80820 [0,0,1,1,0,0|2,0,0]=4 1050 B8R1.22 O=C1C=CC=CC=C1 D74673 [0,0,1,1,0,0|1,0,1]=4 1051 B8R1.5 CC1=C(Br)C=CC=N1 22258 [0,0,1,1,0,0|2,0,0]=4 1052 B8R1.5 CC1=C(Cl)C=CC=N1 22523 [0,0,1,1,0,0|2,0,0]=4 1053 B8R1.5 CC1=C(F)C=CC=N1 22664 [0,0,1,1,0,0|2,0,0]=4 1054 B8R1.5 CC1=C(I)C=CC=C1 CK2327 [0,0,1,1,0,0|2,0,0]=4 1055 B8R1.5 CC1=C(N)C=CC=C1 O12037 [0,0,1,1,0,0|1,0,0]=3 1056 B8R1.5 CC1=C(N)C=CN=C1 CL0137 [0,0,1,1,0,0|2,0,0]=4 1057 B8R1.5 CC1=C(N)C=NC=C1 51420 [0,0,1,1,0,0|2,0,0]=4 1058 B8R1.5 CC1=C(O)C=CC=N1 CL0055 [0,0,1,1,0,0|2,0,0]=4 1059 B8R1.5 CC1=CC=CN=C1C P19755 [0,0,1,1,0,0|2,0,0]=4 1060 B8R1.5 CC1=CC=CN=C1N AB2930 [0,0,1,1,0,0|2,0,0]=4 1061 B8R1.5 CC1=CC=CNC1=O D97281 [0,0,1,1,0,0|2,0,0]=4 1062 B8R1.5 CC1=NC=CC=C1N 22472 [0,0,1,1,0,0|1,0,0]=3 1063 B8R1.5 CC1=NC=CN=C1N 23909 [0,0,1,1,0,0|2,0,0]=4 1064 B8R1.5 NC1=C(Br)C=CC=C1 20437 [0,0,1,1,0,0|1,0,1]=4 1065 B8R1.5 NC1=C(Cl)C=CC=C1 D89201 [0,0,1,1,0,0|1,0,1]=4 1066 B8R1.5 NC1=C(F)C=CC=C1 36806 [0,0,1,1,0,0|1,0,1]=4 1067 B8R1.5 NC1=C(I)C=CC=C1 67639 [0,0,1,1,0,0|1,0,1]=4 1068 B8R1.5 NC1=C(N)C=CC=C1 73739 [0,0,1,1,0,0|1,0,1]=4 1069 B8R1.5 NC1=C(O)C=CC=C1 D88256 [0,0,1,1,0,0|0,0,2]=4 1070 B8R1.5 NC1=C(O)C=CC=C1 D88377 [0,0,1,1,0,0|0,0,2]=4 1071 B8R1.5 NC1=C(O)C=CC=C1 D95812 [0,0,1,1,0,0|0,0,2]=4 1072 B8R1.5 NC1=CC=CN=C1Br RB1053 [0,0,1,1,0,0|2,0,0]=4 1073 B8R1.5 NC1=CC=CN=C1Cl P16534 [0,0,1,1,0,0|2,0,0]=4 1074 B8R1.5 NC1=CC=CN=C1F 22436 [0,0,1,1,0,0|2,0,0]=4 1075 B8R1.5 NC1=CC=CN=C1N 65488 [0,0,1,1,0,0|2,0,0]=4 1076 B8R1.5 NC1=CC=CNC1=O 32959 [0,0,1,1,0,0|1,0,0]=3 1077 B8R1.5 NC1=CC=CNC1=S 24684 [0,0,1,1,0,0|1,1,0]=4 1078 B8R1.5 O=C1NC=CC=C1Br 52546 [0,0,1,1,0,0|2,0,0]=4 1079 B8R1.5 O=C1NC=CC=C1O P19753 [0,0,1,1,0,0|2,0,0]=4 1080 B8R1.5 O=C1OC=CC=C1O FD13146 [0,0,1,1,0,0|2,0,0]=4 1081 B10R2.32 O=C1CCC2=C1C=CS2 94514 [0,1,0,1,0,0|2,0,0]=4 1082 B10R2.32 O=C1CCC2=C1SC=C2 26495 [0,1,0,1,0,0|1,0,0]=3 1083 B8R1.2 CCC1=NC=CN=C1 O10771 [1,0,0,0,0,1|0,0,2]=4 1084 B8R1.2 CNC1=CC=CC=C1 D91386 [1,0,0,0,0,1|2,0,0]=4 1085 B8R1.2 CNC1=CC=CN=C1 34276 [1,0,0,0,0,1|1,0,1]=4 1086 B8R1.2 CNC1=CC=NC=C1 76167 [1,0,0,0,0,1|2,0,0]=4 1087 B8R1.2 CNC1=NC=CC=C1 F19549 [1,0,0,0,0,1|1,0,1]=4 1088 B8R1.2 CNC1=NC=CC=N1 F30217 [1,0,0,0,0,1|1,0,1]=4 1089 B8R1.2 CNC1=NC=CN=C1 71735 [1,0,0,0,0,1|1,0,1]=4 1090 B8R1.2 COC1=CC=NC=C1 78629 [1,0,0,0,0,1|2,0,0]=4 1091 B8R1.2 COC1=CN=CC=C1 35432 [1,0,0,0,0,1|1,0,1]=4 1092 B8R1.2 COC1=NC=CC=C1 26095 [1,0,0,0,0,1|1,0,1]=4 1093 B8R1.2 COC1=NC=CC=N1 D70334 [1,0,0,0,0,1|1,0,1]=4 1094 B8R1.2 COC1=NC=CN=C1 O10825 [1,0,0,0,0,1|1,0,1]=4 1095 B8R1.2 COC1=NN=CC=C1 24851 [1,0,0,0,0,1|1,0,1]=4 1096 B8R1.2 CSC1=CC=CC=C1 D72508 [1,0,0,0,0,1|2,0,0]=4 1097 B8R1.2 CSC1=NC=CC=C1 75585 [1,0,0,0,0,1|1,0,1]=4 1098 B8R1.2 CSC1=NC=CN=C1 W13055 [1,0,0,0,0,1|1,0,1]=4 1099 B8R1.2 O=CC1=CC=NC=C1 20088 [1,0,0,0,0,1|1,0,0]=3 1100 B8R1.2 O=CC1=CN=CC=C1 65498 [1,0,0,0,0,1|0,0,1]=3 1101 B8R1.2 O=CC1=CN=CN=C1 67525 [1,0,0,0,0,1|1,0,1]=4 1102 B8R1.2 O=CC1=CN=NC=C1 37051 [1,0,0,0,0,1|1,0,1]=4 1103 B8R1.2 O=CC1=NC=CC=C1 D77679 [1,0,0,0,0,1|0,0,1]=3 1104 B8R1.2 O=CC1=NC=CC=N1 29684 [1,0,0,0,0,1|0,0,1]=3 1105 B8R1.2 O=CC1=NC=CN=C1 24785 [1,0,0,0,0,1|0,0,1]=3 1106 B8R1.2 O=CC1=NN=CC=C1 37062 [1,0,0,0,0,1|0,0,1]=3 1107 B8R1.2 O=NC1=CC=CC=C1 I10262 [1,0,0,0,0,1|2,0,0]=4 1108 B8R1.2 O=[As]C1=CC=CC=C1 D91908 [1,0,0,0,0,1|2,0,0]=4 1109 B8R1.2 O=[IH2]C1=CC=CC=C1 A11021 [1,0,0,0,0,1|2,0,0]=4 1110 B10R1.18 CC(=O)CC1=CC=NC=C1 32302 [0,0,0,0,0,2|1,0,0]=3 1111 B10R1.18 CC(=O)CC1=CC=NC=C1 65526 [0,0,0,0,0,2|1,0,0]=3 1112 B10R1.18 CC(=O)CC1=NC=CC=C1 65544 [0,0,0,0,0,2|0,0,1]=3 1113 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 D88335 [0,0,0,0,0,2|2,0,0]=4 1114 B10R1.18 CC(=O)NC1=CC=NC=C1 D88476 [0,0,0,0,0,2|1,0,0]=3 1115 B10R1.18 CC(=O)NC1=CN=CC=C1 D76087 [0,0,0,0,0,2|0,0,1]=3 1116 B10R1.18 CC(=O)NC1=NC=CC=C1 H10380 [0,0,0,0,0,2|0,0,1]=3 1117 B10R1.18 CC(=O)NC1=NC=CC=N1 D97299 [0,0,0,0,0,2|0,0,1]=3 1118 B10R1.18 CC(=O)OC1=CC=CC=C1 D88203 [0,0,0,0,0,2|1,0,0]=3 1119 B10R1.18 CC(=O)OC1=CN=CC=C1 D88394 [0,0,0,0,0,2|0,0,1]=3 1120 B10R1.18 CC(=O)SC1=CC=CC=C1 H12050 [0,0,0,0,0,2|1,0,0]=3 1121 B10R1.18 CC(=S)NC1=CC=CC=C1 81311 [0,0,0,0,0,2|1,1,0]=4 1122 B10R1.18 CC(C)=CC1=CC=CC=C1 W16227 [0,0,0,0,0,2|2,0,0]=4 1123 B10R1.18 NC(=O)CC1=CC=CC=C1 20020 [0,0,0,0,0,2|2,0,0]=4 1124 B10R1.18 NC(=O)CC1=CN=CC=C1 F30204 [0,0,0,0,0,2|1,0,1]=4 1125 B10R1.18 NC(=O)NC1=CC=CC=C1 C11241 [0,0,0,0,0,2|2,0,0]=4 1126 B10R1.18 NC(=O)OC1=CC=CC=C1 81483 [0,0,0,0,0,2|2,0,0]=4 1127 B10R1.18 O=C(Cl)CC1=CC=CC=C1 S11991 [0,0,0,0,0,2|2,0,0]=4 1128 B10R1.18 O=C(O)CC1=CC=CC=C1 A12791 [0,0,0,0,0,2|2,0,0]=4 1129 B10R1.18 O=C(O)CC1=CC=NC=C1 65460 [0,0,0,0,0,2|2,0,0]=4 1130 B10R1.18 O=C(O)CC1=CC=NC=C1 65461 [0,0,0,0,0,2|2,0,0]=4 1131 B10R1.18 O=C(O)CC1=CN=CC=C1 23119 [0,0,0,0,0,2|1,0,1]=4 1132 B10R1.18 O=C(O)CC1=CN=CC=C1 28500 [0,0,0,0,0,2|1,0,1]=4 1133 B10R1.18 O=C(O)CC1=NC=CC=C1 31161 [0,0,0,0,0,2|1,0,1]=4 1134 B10R1.18 O=C(O)CC1=NC=CC=N1 29338 [0,0,0,0,0,2|1,0,1]=4 1135 B10R1.18 O=C(O)CC1=NC=CN=C1 69865 [0,0,0,0,0,2|1,0,1]=4 1136 B10R1.18 O=C([O-])CC1=NC=CC=N1 P14674 [0,0,0,0,0,2|1,0,1]=4 1137 B10R1.66 CC(=O)OCC1=CC=CO1 F14839 [0,0,0,0,0,2|1,0,0]=3 1138 B10R1.66 CC(=O)\C=C\C1=CC=CO1 D90647 [0,0,0,0,0,2|1,0,0]=3 1139 B10R1.66 CC(=O)\C=C\C1=CC=CS1 F52717 [0,0,0,0,0,2|1,0,0]=3 1140 B10R1.66 O=C(O)CCC1=CC=CO1 68597 [0,0,0,0,0,2|2,0,0]=4 1141 B10R1.66 O=C(O)\C=C/C1=CC=CS1 A10226 [0,0,0,0,0,2|2,0,0]=4 1142 B10R1.66 O=C(O)\C=C\C1=CC=CO1 75613 [0,0,0,0,0,2|2,0,0]=4 1143 B10R1.66 O=C(O)\C=C\C1=CC=CO1 P20225 [0,0,0,0,0,2|2,0,0]=4 1144 B10R1.66 O=C(O)\C=C\C1=CC=CS1 33961 [0,0,0,0,0,2|2,0,0]=4 1145 B10R1.66 O=C(O)\C=C\C1=CN=CN1 A11380 [0,0,0,0,0,2|2,0,0]=4 1146 B10R1.66 O=C(O)\C=C\C1=CN=CN1 E72446 [0,0,0,0,0,2|2,0,0]=4