0 B6R1.2 BrC1=CC=CO1 29495 [0,0,0,0,0,0|4,0,0]=4 1 B6R1.2 BrC1=CC=CS1 D77872 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 BrC1=CC=NN1 37887 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 BrC1=CN=CS1 CL2517 [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 BrC1=CNC=N1 CL2219 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 BrC1=CNN=C1 21504 [0,0,0,0,0,0|1,0,0]=1 6 B6R1.2 BrC1=COC=C1 35018 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 BrC1=CON=C1 34052 [0,0,0,0,0,0|2,0,0]=2 8 B6R1.2 BrC1=CSC=C1 P20051 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 BrC1=CSC=N1 50021 [0,0,0,0,0,0|4,0,0]=4 10 B6R1.2 BrC1=CSN=C1 53000 [0,0,0,0,0,0|2,0,0]=2 11 B6R1.2 BrC1=NC=NS1 26423 [0,0,0,0,0,0|4,0,0]=4 12 B6R1.2 BrC1=NN=CN1 O10963 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.2 BrC1=NN=CS1 38339 [0,0,0,0,0,0|4,0,0]=4 14 B6R1.2 BrC1=NNC=C1 23843 [0,0,0,0,0,0|3,0,0]=3 15 B6R1.2 BrC1=NNC=N1 50140 [0,0,0,0,0,0|4,0,0]=4 16 B6R1.2 BrC1=NOC=C1 F13554 [0,0,0,0,0,0|4,0,0]=4 17 B6R1.2 CC1=CC=CS1 F10310 [0,0,0,0,0,0|3,0,0]=3 18 B6R1.2 CC1=CC=NN1 FD18008 [0,0,0,0,0,0|2,0,0]=2 19 B6R1.2 CC1=CC=NO1 F14932 [0,0,0,0,0,0|2,0,0]=2 20 B6R1.2 CC1=CCC=C1 F13190 [0,0,0,0,0,0|2,0,0]=2 21 B6R1.2 CC1=CN=CS1 35579 [0,0,0,0,0,0|2,0,0]=2 22 B6R1.2 CC1=CNC=N1 73319 [0,0,0,0,0,0|2,0,0]=2 23 B6R1.2 CC1=CNN=C1 CL3422 [0,0,0,0,0,0|0,0,0]=0 24 B6R1.2 CC1=COC=N1 P11074 [0,0,0,0,0,0|3,0,0]=3 25 B6R1.2 CC1=CSC=C1 28845 [0,0,0,0,0,0|2,0,0]=2 26 B6R1.2 CC1=CSC=N1 P16589 [0,0,0,0,0,0|3,0,0]=3 27 B6R1.2 CC1=NC=CN1 D77862 [0,0,0,0,0,0|4,0,0]=4 28 B6R1.2 CC1=NC=CS1 26127 [0,0,0,0,0,0|4,0,0]=4 29 B6R1.2 CC1=NCCC1 35340 [0,0,0,0,0,0|3,0,1]=4 30 B6R1.2 CC1=NCCN1 S11926 [0,0,0,0,0,0|4,0,0]=4 31 B6R1.2 CC1=NCCO1 F16112 [0,0,0,0,0,0|4,0,0]=4 32 B6R1.2 CC1=NCCS1 D91305 [0,0,0,0,0,0|4,0,0]=4 33 B6R1.2 CC1=NN=CN1 FD9029 [0,0,0,0,0,0|3,0,0]=3 34 B6R1.2 CC1=NN=CO1 F13450 [0,0,0,0,0,0|3,0,0]=3 35 B6R1.2 CC1=NN=NN1 23089 [0,0,0,0,0,0|2,0,1]=3 36 B6R1.2 CC1=NNC=N1 50144 [0,0,0,0,0,0|3,0,0]=3 37 B6R1.2 CC1=NON=C1 C15436 [0,0,0,0,0,0|2,0,0]=2 38 B6R1.2 CN1C=CC=C1 D78235 [0,0,0,0,0,0|3,0,0]=3 39 B6R1.2 CN1C=CC=N1 39204 [0,0,0,0,0,0|4,0,0]=4 40 B6R1.2 CN1C=CN=C1 D70869 [0,0,0,0,0,0|2,0,0]=2 41 B6R1.2 CN1C=CN=C1 D92902 [0,0,0,0,0,0|2,0,0]=2 42 B6R1.2 CN1C=CN=N1 35170 [0,0,0,0,0,0|3,0,0]=3 43 B6R1.2 CN1C=NC=N1 35171 [0,0,0,0,0,0|3,0,0]=3 44 B6R1.2 CN1C=NN=N1 64027 [0,0,0,0,0,0|2,0,1]=3 45 B6R1.2 C[C@H]1CCNC1 69325 [0,0,0,0,0,0|1,0,3]=4 46 B6R1.2 C[C@H]1CCNC1 69329 [0,0,0,0,0,0|1,0,3]=4 47 B6R1.2 ClC1=CC=CS1 F10317 [0,0,0,0,0,0|4,0,0]=4 48 B6R1.2 ClC1=CC=NN1 27119 [0,0,0,0,0,0|3,0,0]=3 49 B6R1.2 ClC1=CN=CN1 35570 [0,0,0,0,0,0|3,0,0]=3 50 B6R1.2 ClC1=CNN=C1 64527 [0,0,0,0,0,0|1,0,0]=1 51 B6R1.2 ClC1=CSC=C1 75806 [0,0,0,0,0,0|3,0,0]=3 52 B6R1.2 ClC1=CSC=N1 26491 [0,0,0,0,0,0|4,0,0]=4 53 B6R1.2 ClC1=NC=NS1 25546 [0,0,0,0,0,0|4,0,0]=4 54 B6R1.2 ClC1=NNC=N1 76822 [0,0,0,0,0,0|4,0,0]=4 55 B6R1.2 FC1=CNN=C1 82131 [0,0,0,0,0,0|1,0,0]=1 56 B6R1.2 IC1=CC=CS1 20438 [0,0,0,0,0,0|4,0,0]=4 57 B6R1.2 IC1=CC=NN1 33948 [0,0,0,0,0,0|3,0,0]=3 58 B6R1.2 IC1=CNC=N1 CL2236 [0,0,0,0,0,0|3,0,0]=3 59 B6R1.2 IC1=CNN=C1 20446 [0,0,0,0,0,0|1,0,0]=1 60 B6R1.2 IC1=CON=C1 25301 [0,0,0,0,0,0|2,0,0]=2 61 B6R1.2 IC1=CSC=C1 35429 [0,0,0,0,0,0|3,0,0]=3 62 B6R1.2 IC1=NNC=C1 24468 [0,0,0,0,0,0|3,0,0]=3 63 B6R1.2 IC1=NNC=N1 I10222 [0,0,0,0,0,0|4,0,0]=4 64 B6R1.2 NC1=CC=NN1 78618 [0,0,0,0,0,0|3,0,0]=3 65 B6R1.2 NC1=CN=CS1 52084 [0,0,0,0,0,0|3,0,0]=3 66 B6R1.2 NC1=CN=NS1 FD13116 [0,0,0,0,0,0|2,0,1]=3 67 B6R1.2 NC1=CNN=C1 24919 [0,0,0,0,0,0|1,0,0]=1 68 B6R1.2 NC1=CNN=C1 29760 [0,0,0,0,0,0|1,0,0]=1 69 B6R1.2 NC1=CON=C1 26651 [0,0,0,0,0,0|2,0,0]=2 70 B6R1.2 NC1=CSC=C1 37334 [0,0,0,0,0,0|3,0,0]=3 71 B6R1.2 NC1=CSC=C1 CX1088 [0,0,0,0,0,0|3,0,0]=3 72 B6R1.2 NC1=CSC=C1 D78123 [0,0,0,0,0,0|3,0,0]=3 73 B6R1.2 NC1=NC=NS1 36264 [0,0,0,0,0,0|4,0,0]=4 74 B6R1.2 NC1=NC=NS1 77838 [0,0,0,0,0,0|4,0,0]=4 75 B6R1.2 NC1=NC=NS1 O10337 [0,0,0,0,0,0|4,0,0]=4 76 B6R1.2 NC1=NN=CN1 D70019 [0,0,0,0,0,0|4,0,0]=4 77 B6R1.2 NC1=NN=CO1 72550 [0,0,0,0,0,0|4,0,0]=4 78 B6R1.2 NC1=NN=CS1 D77857 [0,0,0,0,0,0|4,0,0]=4 79 B6R1.2 NC1=NN=NS1 H10454 [0,0,0,0,0,0|3,0,1]=4 80 B6R1.2 NC1=NNC=C1 38175 [0,0,0,0,0,0|3,0,0]=3 81 B6R1.2 NC1=NNC=N1 26310 [0,0,0,0,0,0|4,0,0]=4 82 B6R1.2 NC1=NNC=N1 52694 [0,0,0,0,0,0|4,0,0]=4 83 B6R1.2 NC1=NOC=C1 37672 [0,0,0,0,0,0|4,0,0]=4 84 B6R1.2 NN1C=CC=C1 37643 [0,0,0,0,0,0|4,0,0]=4 85 B6R1.2 NN1C=NN=C1 AC7809 [0,0,0,0,0,0|2,0,1]=3 86 B6R1.2 O=C1C=CCC1 23169 [0,0,0,0,0,0|3,0,1]=4 87 B6R1.2 O=C1C=CCO1 20453 [0,0,0,0,0,0|4,0,0]=4 88 B6R1.2 O=C1C=CNN1 F30274 [0,0,0,0,0,0|3,0,0]=3 89 B6R1.2 O=C1C=CSN1 BL007960 [0,0,0,0,0,0|4,0,0]=4 90 B6R1.2 O=C1CC=NN1 26372 [0,0,0,0,0,0|3,0,1]=4 91 B6R1.2 O=C1CCNC1 65410 [0,0,0,0,0,0|2,0,2]=4 92 B6R1.2 O=C1CCNN1 F15485 [0,0,0,0,0,0|3,0,1]=4 93 B6R1.2 O=C1N=CNN1 28965 [0,0,0,0,0,0|4,0,0]=4 94 B6R1.2 OC1=CC=NN1 S10713 [0,0,0,0,0,0|3,0,0]=3 95 B6R1.2 OC1=NNCC1 I10060 [0,0,0,0,0,0|3,0,1]=4 96 B6R1.2 S=C1N=CNN1 F11230 [0,0,0,0,0,0|4,0,0]=4 97 B6R1.2 SC1=NN=CS1 D71149 [0,0,0,0,0,0|4,0,0]=4 98 B6R1.2 [Fe]C1=CC=CC1 D78443 [0,0,0,0,0,0|3,0,1]=4 99 B6R1.2 [S-]C1=NNN=C1 D91393 [0,0,0,0,0,0|2,0,0]=2 100 B5R1.1 C1=CCC=C1 F16264 [1,0,0,0,0,0|2,0,0]=3 101 B5R1.1 C1=CCC=C1 S10330 [1,0,0,0,0,0|2,0,0]=3 102 B5R1.1 C1=CCC=C1 S10411 [1,0,0,0,0,0|2,0,0]=3 103 B5R1.1 C1=CCNC1 23121 [1,0,0,0,0,0|1,0,1]=3 104 B5R1.1 C1=CCNC1 39302 [1,0,0,0,0,0|1,0,1]=3 105 B5R1.1 C1=CCOC1 F11214 [1,0,0,0,0,0|2,0,1]=4 106 B5R1.1 C1=CNC=N1 AC9122 [1,0,0,0,0,0|2,0,0]=3 107 B5R1.1 C1=CNC=N1 P17516 [1,0,0,0,0,0|2,0,0]=3 108 B5R1.1 C1=CNN=C1 D78528 [1,0,0,0,0,0|0,0,0]=1 109 B5R1.1 C1=CNN=N1 24428 [1,0,0,0,0,0|1,0,0]=2 110 B5R1.1 C1=COC=N1 64701 [1,0,0,0,0,0|2,0,0]=3 111 B5R1.1 C1=CON=C1 F14866 [1,0,0,0,0,0|1,0,0]=2 112 B5R1.1 C1=CSC=N1 20469 [1,0,0,0,0,0|2,0,0]=3 113 B5R1.1 C1=CSN=C1 62862 [1,0,0,0,0,0|1,0,0]=2 114 B5R1.1 C1=C[CH-]C=C1 D89475 [1,0,0,0,0,0|2,0,0]=3 115 B5R1.1 C1=NC=NN1 70017 [1,0,0,0,0,0|1,0,0]=2 116 B5R1.1 C1=NNN=C1 D70752 [1,0,0,0,0,0|1,0,0]=2 117 B7R1.1 BrCC1=CSC=C1 54789 [0,1,0,0,0,0|2,0,0]=3 118 B7R1.1 C#CC1=CSC=C1 75818 [0,1,0,0,0,0|2,0,1]=4 119 B7R1.1 C=CC1=CSC=C1 D84207 [0,1,0,0,0,0|2,0,1]=4 120 B7R1.1 CCC1=CC=CO1 S10154 [0,1,0,0,0,0|3,0,0]=4 121 B7R1.1 CCC1=CC=CS1 D90498 [0,1,0,0,0,0|3,0,0]=4 122 B7R1.1 CCC1=CCC=C1 F14114 [0,1,0,0,0,0|2,0,0]=3 123 B7R1.1 CCC1=CN=CN1 32046 [0,1,0,0,0,0|2,0,0]=3 124 B7R1.1 CCC1=CSC=C1 F14946 [0,1,0,0,0,0|2,0,0]=3 125 B7R1.1 CCC1=NNC=N1 D70507 [0,1,0,0,0,0|3,0,0]=4 126 B7R1.1 CCN1C=CN=C1 D70860 [0,1,0,0,0,0|2,0,0]=3 127 B7R1.1 CCN1C=CN=N1 D80212 [0,1,0,0,0,0|3,0,0]=4 128 B7R1.1 COC1=CC=CS1 F14921 [0,1,0,0,0,0|3,0,0]=4 129 B7R1.1 COC1=CSC=C1 63554 [0,1,0,0,0,0|2,0,0]=3 130 B7R1.1 CSC1=CSC=C1 D97361 [0,1,0,0,0,0|2,0,0]=3 131 B7R1.1 CSC1=NN=NN1 F17102 [0,1,0,0,0,0|2,0,1]=4 132 B7R1.1 ClCC1=CN=CN1 70852 [0,1,0,0,0,0|2,0,0]=3 133 B7R1.1 ClCC1=CN=CS1 27423 [0,1,0,0,0,0|2,0,0]=3 134 B7R1.1 ClCC1=CSC=N1 CL2524 [0,1,0,0,0,0|3,0,0]=4 135 B7R1.1 ClCC1=NN=NN1 23544 [0,1,0,0,0,0|2,0,1]=4 136 B7R1.1 ClCC1=NNC=C1 29752 [0,1,0,0,0,0|2,0,0]=3 137 B7R1.1 N#CC1=CN=CN1 59451 [0,1,0,0,0,0|2,0,1]=4 138 B7R1.1 N#CC1=CN=CS1 27369 [0,1,0,0,0,0|2,0,1]=4 139 B7R1.1 N#CC1=CNC=C1 O10412 [0,1,0,0,0,0|1,0,1]=3 140 B7R1.1 N#CC1=CNC=N1 CL2218 [0,1,0,0,0,0|2,0,1]=4 141 B7R1.1 N#CC1=CNN=C1 25430 [0,1,0,0,0,0|0,0,1]=2 142 B7R1.1 N#CC1=CSC=C1 66666 [0,1,0,0,0,0|2,0,1]=4 143 B7R1.1 N#CC1=NNC=C1 BL003372 [0,1,0,0,0,0|2,0,1]=4 144 B7R1.1 NCC1=CC=CN1 24683 [0,1,0,0,0,0|3,0,0]=4 145 B7R1.1 NCC1=CC=CS1 77953 [0,1,0,0,0,0|3,0,0]=4 146 B7R1.1 NCC1=CC=NN1 79202 [0,1,0,0,0,0|2,0,0]=3 147 B7R1.1 NCC1=CN=CO1 34684 [0,1,0,0,0,0|2,0,0]=3 148 B7R1.1 NCC1=CN=CO1 38284 [0,1,0,0,0,0|2,0,0]=3 149 B7R1.1 NCC1=CN=CS1 20220 [0,1,0,0,0,0|2,0,0]=3 150 B7R1.1 NCC1=CN=CS1 P15769 [0,1,0,0,0,0|2,0,0]=3 151 B7R1.1 NCC1=CNC=N1 71831 [0,1,0,0,0,0|2,0,0]=3 152 B7R1.1 NCC1=COC=C1 F14683 [0,1,0,0,0,0|2,0,0]=3 153 B7R1.1 NCC1=COC=N1 AC7758 [0,1,0,0,0,0|3,0,0]=4 154 B7R1.1 NCC1=CSC=C1 23759 [0,1,0,0,0,0|2,0,0]=3 155 B7R1.1 NCC1=CSC=C1 84938 [0,1,0,0,0,0|2,0,0]=3 156 B7R1.1 NCC1=NN=NN1 S10255 [0,1,0,0,0,0|2,0,1]=4 157 B7R1.1 O=CC1=CCC=C1 F14116 [0,1,0,0,0,0|2,0,1]=4 158 B7R1.1 O=CC1=CN=CN1 30100 [0,1,0,0,0,0|2,0,1]=4 159 B7R1.1 O=CC1=CN=CS1 66596 [0,1,0,0,0,0|2,0,1]=4 160 B7R1.1 O=CC1=CNC=C1 65470 [0,1,0,0,0,0|1,0,1]=3 161 B7R1.1 O=CC1=CNC=N1 CL2201 [0,1,0,0,0,0|2,0,1]=4 162 B7R1.1 O=CC1=CNN=C1 24998 [0,1,0,0,0,0|0,0,1]=2 163 B7R1.1 O=CC1=CNN=C1 38080 [0,1,0,0,0,0|0,0,1]=2 164 B7R1.1 O=CC1=COC=C1 61504 [0,1,0,0,0,0|2,0,1]=4 165 B7R1.1 O=CC1=CSC=C1 24023 [0,1,0,0,0,0|2,0,1]=4 166 B7R1.1 O=CC1=NNC=C1 BL001484 [0,1,0,0,0,0|2,0,1]=4 167 B7R1.1 OCC1=CC=CS1 P10010 [0,1,0,0,0,0|3,0,0]=4 168 B7R1.1 OCC1=CCC=C1 F14117 [0,1,0,0,0,0|2,0,0]=3 169 B7R1.1 OCC1=CN=CN1 71235 [0,1,0,0,0,0|2,0,0]=3 170 B7R1.1 OCC1=CN=CO1 25731 [0,1,0,0,0,0|2,0,0]=3 171 B7R1.1 OCC1=CN=CS1 28400 [0,1,0,0,0,0|2,0,0]=3 172 B7R1.1 OCC1=CNC=N1 62333 [0,1,0,0,0,0|2,0,0]=3 173 B7R1.1 OCC1=CNN=C1 27794 [0,1,0,0,0,0|0,0,0]=1 174 B7R1.1 OCC1=COC=C1 35423 [0,1,0,0,0,0|2,0,0]=3 175 B7R1.1 OCC1=COC=N1 38413 [0,1,0,0,0,0|3,0,0]=4 176 B7R1.1 OCC1=CSC=C1 33113 [0,1,0,0,0,0|2,0,0]=3 177 B7R1.1 OCC1=CSC=N1 24603 [0,1,0,0,0,0|3,0,0]=4 178 B7R1.1 OCC1=CSN=N1 71543 [0,1,0,0,0,0|2,0,0]=3 179 B7R1.1 OCC1=NNC=C1 29405 [0,1,0,0,0,0|2,0,0]=3 180 B7R1.1 OCC1=NOC=C1 26711 [0,1,0,0,0,0|3,0,0]=4 181 B7R1.1 OCN1C=NC=N1 I10144 [0,1,0,0,0,0|3,0,0]=4 182 B7R1.2 BrC1=CC(Br)=NN1 P17315 [0,1,0,0,0,0|3,0,0]=4 183 B7R1.2 BrC1=CN=C(Br)S1 35045 [0,1,0,0,0,0|3,0,0]=4 184 B7R1.2 BrC1=CSC(Br)=C1 75333 [0,1,0,0,0,0|3,0,0]=4 185 B7R1.2 CC1=CC(=O)CC1 H10654 [0,1,0,0,0,0|2,0,1]=4 186 B7R1.2 CC1=CC(Br)=CS1 33723 [0,1,0,0,0,0|3,0,0]=4 187 B7R1.2 CC1=CC(Br)=NN1 25205 [0,1,0,0,0,0|2,0,0]=3 188 B7R1.2 CC1=CC(Br)=NO1 W10495 [0,1,0,0,0,0|2,0,0]=3 189 B7R1.2 CC1=CC(C)=NN1 P19711 [0,1,0,0,0,0|2,0,0]=3 190 B7R1.2 CC1=CC(C)=NO1 75710 [0,1,0,0,0,0|2,0,0]=3 191 B7R1.2 CC1=CC(I)=NN1 P13869 [0,1,0,0,0,0|2,0,0]=3 192 B7R1.2 CC1=CC(N)=NO1 52801 [0,1,0,0,0,0|2,0,0]=3 193 B7R1.2 CC1=CC(O)=NN1 A50988 [0,1,0,0,0,0|2,0,0]=3 194 B7R1.2 CC1=CC(O)=NO1 78261 [0,1,0,0,0,0|2,0,0]=3 195 B7R1.2 CC1=CC=C(Br)S1 O10685 [0,1,0,0,0,0|3,0,0]=4 196 B7R1.2 CC1=CC=C(C)N1 O10615 [0,1,0,0,0,0|3,0,0]=4 197 B7R1.2 CC1=CC=C(C)S1 F11266 [0,1,0,0,0,0|3,0,0]=4 198 B7R1.2 CC1=CC=C(Cl)S1 H11801 [0,1,0,0,0,0|3,0,0]=4 199 B7R1.2 CC1=CC=C(I)S1 54487 [0,1,0,0,0,0|3,0,0]=4 200 B7R1.2 CC1=CN(C)N=C1 29067 [0,1,0,0,0,0|0,0,0]=1 201 B7R1.2 CC1=CN=C(Br)S1 23849 [0,1,0,0,0,0|2,0,0]=3 202 B7R1.2 CC1=CN=C(C)S1 33730 [0,1,0,0,0,0|2,0,0]=3 203 B7R1.2 CC1=CN=C(Cl)S1 82946 [0,1,0,0,0,0|2,0,0]=3 204 B7R1.2 CC1=CN=C(I)N1 W10501 [0,1,0,0,0,0|2,0,0]=3 205 B7R1.2 CC1=CN=C(N)N1 C90519 [0,1,0,0,0,0|2,0,0]=3 206 B7R1.2 CC1=CN=C(N)S1 A56079 [0,1,0,0,0,0|2,0,0]=3 207 B7R1.2 CC1=CNC(Br)=N1 78588 [0,1,0,0,0,0|2,0,0]=3 208 B7R1.2 CC1=CNC(C)=C1 28362 [0,1,0,0,0,0|1,0,0]=2 209 B7R1.2 CC1=CNC(C)=N1 23196 [0,1,0,0,0,0|2,0,0]=3 210 B7R1.2 CC1=COC(C)=N1 T71266 [0,1,0,0,0,0|3,0,0]=4 211 B7R1.2 CC1=COC(N)=N1 30309 [0,1,0,0,0,0|3,0,0]=4 212 B7R1.2 CC1=CSC(=O)N1 S10245 [0,1,0,0,0,0|3,0,0]=4 213 B7R1.2 CC1=CSC(Br)=N1 23648 [0,1,0,0,0,0|3,0,0]=4 214 B7R1.2 CC1=CSC(C)=N1 O10604 [0,1,0,0,0,0|3,0,0]=4 215 B7R1.2 CC1=CSC(Cl)=N1 BL002552 [0,1,0,0,0,0|3,0,0]=4 216 B7R1.2 CC1=CSC(N)=N1 73687 [0,1,0,0,0,0|3,0,0]=4 217 B7R1.2 CC1=NC(=N)NO1 W17509 [0,1,0,0,0,0|3,0,0]=4 218 B7R1.2 CC1=NC(Br)=CN1 FD7296 [0,1,0,0,0,0|3,0,0]=4 219 B7R1.2 CC1=NC(Br)=NO1 D82619 [0,1,0,0,0,0|3,0,0]=4 220 B7R1.2 CC1=NC=C(I)N1 83403 [0,1,0,0,0,0|3,0,0]=4 221 B7R1.2 CC1=NN(C)C=C1 81639 [0,1,0,0,0,0|2,0,0]=3 222 B7R1.2 CC1=NN=C(Br)O1 F13394 [0,1,0,0,0,0|3,0,0]=4 223 B7R1.2 CC1=NN=C(Br)S1 33690 [0,1,0,0,0,0|3,0,0]=4 224 B7R1.2 CC1=NN=C(C)O1 36260 [0,1,0,0,0,0|3,0,0]=4 225 B7R1.2 CC1=NN=C(Cl)S1 AT18989 [0,1,0,0,0,0|3,0,0]=4 226 B7R1.2 CC1=NN=C(N)N1 35393 [0,1,0,0,0,0|3,0,0]=4 227 B7R1.2 CC1=NN=C(N)N1 D70754 [0,1,0,0,0,0|3,0,0]=4 228 B7R1.2 CC1=NN=C(N)S1 F13849 [0,1,0,0,0,0|3,0,0]=4 229 B7R1.2 CC1=NN=C(O)S1 E10313 [0,1,0,0,0,0|3,0,0]=4 230 B7R1.2 CC1=NN=C(S)S1 D70885 [0,1,0,0,0,0|3,0,0]=4 231 B7R1.2 CC1=NNC(=O)C1 AC8022 [0,1,0,0,0,0|2,0,1]=4 232 B7R1.2 CC1=NNC(=O)O1 24445 [0,1,0,0,0,0|3,0,0]=4 233 B7R1.2 CC1=NNC(Br)=C1 36545 [0,1,0,0,0,0|2,0,0]=3 234 B7R1.2 CC1=NNC(C)=N1 37269 [0,1,0,0,0,0|3,0,0]=4 235 B7R1.2 CC1=NNC(Cl)=C1 20413 [0,1,0,0,0,0|2,0,0]=3 236 B7R1.2 CC1=NNC(N)=C1 51350 [0,1,0,0,0,0|2,0,0]=3 237 B7R1.2 CC1=NNC(N)=N1 F30766 [0,1,0,0,0,0|3,0,0]=4 238 B7R1.2 CC1=NNC(O)=C1 P10123 [0,1,0,0,0,0|2,0,0]=3 239 B7R1.2 CC1=NNC(S)=N1 C16288 [0,1,0,0,0,0|3,0,0]=4 240 B7R1.2 CC1=NOC(N)=C1 71003 [0,1,0,0,0,0|3,0,0]=4 241 B7R1.2 CC1=NSC(Br)=C1 35562 [0,1,0,0,0,0|3,0,0]=4 242 B7R1.2 CC1=NSC(N)=C1 64312 [0,1,0,0,0,0|3,0,0]=4 243 B7R1.2 CN1C=C(Br)C=N1 54470 [0,1,0,0,0,0|1,0,0]=2 244 B7R1.2 CN1C=C(Br)N=N1 25225 [0,1,0,0,0,0|2,0,0]=3 245 B7R1.2 CN1C=C(Cl)C=N1 23811 [0,1,0,0,0,0|1,0,0]=2 246 B7R1.2 CN1C=C(I)C=N1 67386 [0,1,0,0,0,0|1,0,0]=2 247 B7R1.2 CN1C=C(N)C=N1 26879 [0,1,0,0,0,0|1,0,0]=2 248 B7R1.2 CN1C=C(N)C=N1 CL4553 [0,1,0,0,0,0|1,0,0]=2 249 B7R1.2 CN1C=C(N)C=N1 O10423 [0,1,0,0,0,0|1,0,0]=2 250 B7R1.2 CN1C=CC(=O)N1 F30645 [0,1,0,0,0,0|3,0,0]=4 251 B7R1.2 CN1C=CC(Br)=N1 81971 [0,1,0,0,0,0|3,0,0]=4 252 B7R1.2 CN1C=CC(Cl)=N1 70372 [0,1,0,0,0,0|3,0,0]=4 253 B7R1.2 CN1C=CC(I)=N1 30259 [0,1,0,0,0,0|3,0,0]=4 254 B7R1.2 CN1C=CC(N)=N1 27080 [0,1,0,0,0,0|3,0,0]=4 255 B7R1.2 CN1C=C[N+](C)=C1 39108 [0,1,0,0,0,0|2,0,0]=3 256 B7R1.2 CN1C=C[N+](C)=C1 A11308 [0,1,0,0,0,0|2,0,0]=3 257 B7R1.2 CN1C=C[N+](C)=C1 AC8878 [0,1,0,0,0,0|2,0,0]=3 258 B7R1.2 CN1C=C[N+](C)=C1 D90161 [0,1,0,0,0,0|2,0,0]=3 259 B7R1.2 CN1C=C[N+](C)=C1 D90386 [0,1,0,0,0,0|2,0,0]=3 260 B7R1.2 CN1C=NC(Br)=C1 CL2234 [0,1,0,0,0,0|2,0,0]=3 261 B7R1.2 CN1C=NC(Br)=N1 24691 [0,1,0,0,0,0|3,0,0]=4 262 B7R1.2 CN1C=NC(I)=C1 24558 [0,1,0,0,0,0|2,0,0]=3 263 B7R1.2 CN1C=NC(N)=C1 72733 [0,1,0,0,0,0|2,0,0]=3 264 B7R1.2 CN1C=NC(N)=N1 71399 [0,1,0,0,0,0|3,0,0]=4 265 B7R1.2 CN1N=CC(Br)=N1 72895 [0,1,0,0,0,0|2,0,0]=3 266 B7R1.2 CN1N=NC(N)=N1 AC1628 [0,1,0,0,0,0|3,0,0]=4 267 B7R1.2 C[N+]1=CN(N)C=N1 32021 [0,1,0,0,0,0|2,0,1]=4 268 B7R1.2 ClC1=CN=C(Br)S1 24539 [0,1,0,0,0,0|3,0,0]=4 269 B7R1.2 ClC1=NC=C(Br)S1 79219 [0,1,0,0,0,0|3,0,0]=4 270 B7R1.2 NC1=CC(=O)N=N1 D97375 [0,1,0,0,0,0|3,0,0]=4 271 B7R1.2 NC1=CC(Br)=NN1 38014 [0,1,0,0,0,0|3,0,0]=4 272 B7R1.2 NC1=CC(Cl)=NN1 37845 [0,1,0,0,0,0|3,0,0]=4 273 B7R1.2 NC1=CC(O)=NN1 F31400 [0,1,0,0,0,0|3,0,0]=4 274 B7R1.2 NC1=CSC(Br)=C1 P17645 [0,1,0,0,0,0|3,0,0]=4 275 B7R1.2 NC1=NC=C(Br)S1 55802 [0,1,0,0,0,0|3,0,0]=4 276 B7R1.2 NC1=NC=C(Br)S1 55806 [0,1,0,0,0,0|3,0,0]=4 277 B7R1.2 NC1=NC=C(Br)S1 CL2505 [0,1,0,0,0,0|3,0,0]=4 278 B7R1.2 NC1=NC=C(Cl)S1 35262 [0,1,0,0,0,0|3,0,0]=4 279 B7R1.2 NC1=NC=C(Cl)S1 F13828 [0,1,0,0,0,0|3,0,0]=4 280 B7R1.2 NC1=NC=C(F)S1 51004 [0,1,0,0,0,0|3,0,0]=4 281 B7R1.2 NC1=NNC(Br)=C1 25773 [0,1,0,0,0,0|3,0,0]=4 282 B7R1.2 NC1=NNC(Br)=C1 D78148 [0,1,0,0,0,0|3,0,0]=4 283 B7R1.2 NC1=NNC(O)=C1 38193 [0,1,0,0,0,0|3,0,0]=4 284 B7R1.4 BrC1=C(Br)NN=N1 35464 [0,1,0,0,0,0|2,0,0]=3 285 B7R1.4 BrC1=C(Br)SC=C1 FD14054 [0,1,0,0,0,0|3,0,0]=4 286 B7R1.4 BrC1=COC=C1Br 29742 [0,1,0,0,0,0|3,0,0]=4 287 B7R1.4 BrC1=CSC=C1Br 22528 [0,1,0,0,0,0|3,0,0]=4 288 B7R1.4 BrC1=NNN=C1Br O11125 [0,1,0,0,0,0|2,0,0]=3 289 B7R1.4 CC1=C(Br)C=CS1 23521 [0,1,0,0,0,0|3,0,0]=4 290 B7R1.4 CC1=C(Br)N=CN1 BL003355 [0,1,0,0,0,0|2,0,0]=3 291 B7R1.4 CC1=C(Br)N=CS1 W16846 [0,1,0,0,0,0|2,0,0]=3 292 B7R1.4 CC1=C(Br)SC=C1 21728 [0,1,0,0,0,0|2,0,0]=3 293 B7R1.4 CC1=C(Br)SC=N1 28391 [0,1,0,0,0,0|3,0,0]=4 294 B7R1.4 CC1=C(C)NC=N1 C76781 [0,1,0,0,0,0|2,0,0]=3 295 B7R1.4 CC1=C(C)NC=N1 F15152 [0,1,0,0,0,0|2,0,0]=3 296 B7R1.4 CC1=C(C)OC=C1 F30226 [0,1,0,0,0,0|2,0,0]=3 297 B7R1.4 CC1=C(C)OC=N1 A10890 [0,1,0,0,0,0|2,0,0]=3 298 B7R1.4 CC1=C(C)SC=N1 C10072 [0,1,0,0,0,0|2,0,0]=3 299 B7R1.4 CC1=C(Cl)SC=C1 F11210 [0,1,0,0,0,0|2,0,0]=3 300 B7R1.4 CC1=C(I)NC=N1 O11451 [0,1,0,0,0,0|2,0,0]=3 301 B7R1.4 CC1=C(N)C=NN1 D94835 [0,1,0,0,0,0|1,0,0]=2 302 B7R1.4 CC1=C(S)C=CO1 F15479 [0,1,0,0,0,0|3,0,0]=4 303 B7R1.4 CC1=CC=NN1C 60348 [0,1,0,0,0,0|2,0,0]=3 304 B7R1.4 CC1=CNC=C1C 39170 [0,1,0,0,0,0|1,0,0]=2 305 B7R1.4 CC1=CNN=C1Br 38069 [0,1,0,0,0,0|0,0,0]=1 306 B7R1.4 CC1=CNN=C1C 23641 [0,1,0,0,0,0|0,0,0]=1 307 B7R1.4 CC1=CNN=C1C F16140 [0,1,0,0,0,0|0,0,0]=1 308 B7R1.4 CC1=CSC=C1Br 77987 [0,1,0,0,0,0|2,0,0]=3 309 B7R1.4 CC1=CSC=C1C F14672 [0,1,0,0,0,0|2,0,0]=3 310 B7R1.4 CC1=NC=CN1C D78061 [0,1,0,0,0,0|2,0,0]=3 311 B7R1.4 CC1=NNC=C1Br 83424 [0,1,0,0,0,0|1,0,0]=2 312 B7R1.4 CC1=NNC=C1I 75873 [0,1,0,0,0,0|1,0,0]=2 313 B7R1.4 CC1=NON=C1C AC1718 [0,1,0,0,0,0|2,0,0]=3 314 B7R1.4 CN1C=CN=C1Br 63249 [0,1,0,0,0,0|2,0,0]=3 315 B7R1.4 CN1C=CN=C1Cl Y10383 [0,1,0,0,0,0|2,0,0]=3 316 B7R1.4 CN1C=CN=C1N F11602 [0,1,0,0,0,0|2,0,0]=3 317 B7R1.4 CN1C=CN=C1N FD10517 [0,1,0,0,0,0|2,0,0]=3 318 B7R1.4 CN1C=CN=C1S H10722 [0,1,0,0,0,0|2,0,0]=3 319 B7R1.4 CN1C=NC=C1Br CL2235 [0,1,0,0,0,0|2,0,0]=3 320 B7R1.4 CN1C=NC=C1Cl W10455 [0,1,0,0,0,0|2,0,0]=3 321 B7R1.4 CN1C=NC=C1I 24667 [0,1,0,0,0,0|2,0,0]=3 322 B7R1.4 CN1C=NNC1=S 73837 [0,1,0,0,0,0|1,0,0]=2 323 B7R1.4 CN1N=CC=C1Br 35940 [0,1,0,0,0,0|3,0,0]=4 324 B7R1.4 CN1N=CC=C1I 23590 [0,1,0,0,0,0|3,0,0]=4 325 B7R1.4 CN1N=CC=C1N 33709 [0,1,0,0,0,0|3,0,0]=4 326 B7R1.4 CN1N=CC=C1O 82961 [0,1,0,0,0,0|3,0,0]=4 327 B7R1.4 CN1N=CN=C1Br 26195 [0,1,0,0,0,0|3,0,0]=4 328 B7R1.4 CN1N=CN=C1N 50272 [0,1,0,0,0,0|3,0,0]=4 329 B7R1.4 CN1N=NN=C1N 25730 [0,1,0,0,0,0|2,0,1]=4 330 B7R1.4 CN1N=NN=C1S AT12113 [0,1,0,0,0,0|2,0,1]=4 331 B7R1.4 CN1NC=CC1=O F17237 [0,1,0,0,0,0|3,0,0]=4 332 B7R1.4 ClC1=C(Br)C=CS1 33697 [0,1,0,0,0,0|3,0,0]=4 333 B7R1.4 ClC1=C(Br)NN=C1 P18154 [0,1,0,0,0,0|1,0,0]=2 334 B7R1.4 ClC1=C(Br)SC=C1 C76494 [0,1,0,0,0,0|3,0,0]=4 335 B7R1.4 ClC1=C(Cl)NC=N1 D73871 [0,1,0,0,0,0|3,0,0]=4 336 B7R1.4 ClC1=C(Cl)SC=C1 A12147 [0,1,0,0,0,0|3,0,0]=4 337 B7R1.4 ClC1=NSN=C1Cl F14865 [0,1,0,0,0,0|3,0,0]=4 338 B7R1.4 ClC1=NS[S+]=C1Cl D78149 [0,1,0,0,0,0|3,0,0]=4 339 B7R1.4 IC1=C(I)NC=N1 CL2231 [0,1,0,0,0,0|3,0,0]=4 340 B7R1.4 NC1=CNN=C1Cl 75783 [0,1,0,0,0,0|1,0,0]=2 341 B7R1.4 NC1=CNN=C1N P14677 [0,1,0,0,0,0|1,0,0]=2 342 B7R1.4 NC1=CSC=C1N 75664 [0,1,0,0,0,0|3,0,0]=4 343 B7R1.4 NC1=CSC=C1N N12488 [0,1,0,0,0,0|3,0,0]=4 344 B7R1.4 NC1=NNC=C1Br 80218 [0,1,0,0,0,0|1,0,0]=2 345 B7R1.4 NC1=NOC=C1Br O11191 [0,1,0,0,0,0|2,0,0]=3 346 B7R1.4 NC1=NON=C1N 60642 [0,1,0,0,0,0|3,0,0]=4 347 B7R1.4 O=C1CCC=C1Br D82390 [0,1,0,0,0,0|3,0,0]=4 348 B7R1.4 O=C1CCC=C1O 25221 [0,1,0,0,0,0|3,0,0]=4 349 B5R0.1 C=C(C)CCBr 80247 [0,0,1,0,0,0|2,0,1]=4 350 B5R0.1 C=C(C)OCC 78535 [0,0,1,0,0,0|3,0,0]=4 351 B5R0.1 CC(=O)\C=N\O D72887 [0,0,1,0,0,0|2,0,0]=3 352 B5R0.1 CC(C)=CC=O 23180 [0,0,1,0,0,0|2,0,1]=4 353 B5R0.1 CC(C)=CCBr 75658 [0,0,1,0,0,0|2,0,1]=4 354 B5R0.1 CC(C)=CCO F20316 [0,0,1,0,0,0|2,0,1]=4 355 B5R0.1 C\C(N)=C/C#N F19804 [0,0,1,0,0,0|2,0,1]=4 356 B5R0.1 C\C=C\C(C)=O F17125 [0,0,1,0,0,0|3,0,0]=4 357 B5R0.2 C\C=C/CCC D90857 [0,0,1,0,0,0|2,0,1]=4 358 B5R1.2 CC1CNC1 80306 [0,0,0,0,1,0|0,0,3]=4 359 B5R1.2 C[C@H]1CCN1 86769 [0,0,0,0,1,0|1,0,2]=4 360 B5R1.2 O=C1CCN1 52806 [0,0,0,0,1,0|2,0,1]=4 361 B5R1.2 O=C1CNC1 51063 [0,0,0,0,1,0|1,0,2]=4 362 B7R1.3 BrC1=CC=NC=C1 21740 [0,0,0,0,0,1|2,0,0]=3 363 B7R1.3 BrC1=CN=CC=C1 CX1091 [0,0,0,0,0,1|2,0,0]=3 364 B7R1.3 BrC1=CN=CN=C1 23104 [0,0,0,0,0,1|1,0,1]=3 365 B7R1.3 BrC1=NC=CC=C1 S12408 [0,0,0,0,0,1|3,0,0]=4 366 B7R1.3 BrC1=NC=CN=C1 24207 [0,0,0,0,0,1|2,0,0]=3 367 B7R1.3 BrC1=NN=CC=C1 26986 [0,0,0,0,0,1|3,0,0]=4 368 B7R1.3 CC1=CC=CN=N1 35439 [0,0,0,0,0,1|2,0,0]=3 369 B7R1.3 CC1=CCCCC1 H10759 [0,0,0,0,0,1|2,0,1]=4 370 B7R1.3 CC1=CCCNC1 39250 [0,0,0,0,0,1|1,0,1]=3 371 B7R1.3 CC1=CCNCC1 39249 [0,0,0,0,0,1|1,0,1]=3 372 B7R1.3 CC1=CN=CN=C1 24009 [0,0,0,0,0,1|0,0,1]=2 373 B7R1.3 CC1=CN=NC=C1 23588 [0,0,0,0,0,1|0,0,1]=2 374 B7R1.3 CC1=NC=CC=N1 64045 [0,0,0,0,0,1|3,0,0]=4 375 B7R1.3 CC1=NC=CN=C1 D73175 [0,0,0,0,0,1|1,0,0]=2 376 B7R1.3 CC1=NC=NC=C1 63170 [0,0,0,0,0,1|1,0,0]=2 377 B7R1.3 C[N+]1=CC=CC=C1 50798 [0,0,0,0,0,1|3,0,0]=4 378 B7R1.3 C[N+]1=CC=CC=C1 D91495 [0,0,0,0,0,1|3,0,0]=4 379 B7R1.3 ClC1=CC=NC=C1 12319 [0,0,0,0,0,1|2,0,0]=3 380 B7R1.3 ClC1=CN=CN=C1 57598 [0,0,0,0,0,1|1,0,1]=3 381 B7R1.3 ClC1=NC=CN=C1 78522 [0,0,0,0,0,1|2,0,0]=3 382 B7R1.3 ClC1=NC=NC=C1 58071 [0,0,0,0,0,1|2,0,0]=3 383 B7R1.3 ClC1=NN=CC=C1 57589 [0,0,0,0,0,1|3,0,0]=4 384 B7R1.3 FC1=CC=NC=C1 FD2070 [0,0,0,0,0,1|2,0,0]=3 385 B7R1.3 FC1=CN=CC=C1 24142 [0,0,0,0,0,1|2,0,0]=3 386 B7R1.3 FC1=NC=CC=C1 P16538 [0,0,0,0,0,1|3,0,0]=4 387 B7R1.3 FC1=NC=CN=C1 61130 [0,0,0,0,0,1|2,0,0]=3 388 B7R1.3 IC1=CC=CC=C1 D77691 [0,0,0,0,0,1|3,0,0]=4 389 B7R1.3 IC1=CC=NC=C1 TD8150 [0,0,0,0,0,1|2,0,0]=3 390 B7R1.3 IC1=CN=CC=C1 CL0133 [0,0,0,0,0,1|2,0,0]=3 391 B7R1.3 IC1=CN=CN=C1 26143 [0,0,0,0,0,1|1,0,1]=3 392 B7R1.3 IC1=NC=CC=C1 34422 [0,0,0,0,0,1|3,0,0]=4 393 B7R1.3 IC1=NC=CN=C1 84031 [0,0,0,0,0,1|2,0,0]=3 394 B7R1.3 NC1=CC=CN=C1 CX1211 [0,0,0,0,0,1|2,0,0]=3 395 B7R1.3 NC1=CC=CN=N1 51045 [0,0,0,0,0,1|3,0,0]=4 396 B7R1.3 NC1=CC=NC=C1 79042 [0,0,0,0,0,1|2,0,0]=3 397 B7R1.3 NC1=CN=CN=C1 34674 [0,0,0,0,0,1|1,0,1]=3 398 B7R1.3 NC1=CN=NC=C1 23834 [0,0,0,0,0,1|1,0,1]=3 399 B7R1.3 NC1=CN=NC=C1 37053 [0,0,0,0,0,1|1,0,1]=3 400 B7R1.3 NC1=NC=CC=C1 P17100 [0,0,0,0,0,1|3,0,0]=4 401 B7R1.3 NC1=NC=CN=C1 CL4536 [0,0,0,0,0,1|2,0,0]=3 402 B7R1.3 NC1=NC=CN=N1 29300 [0,0,0,0,0,1|3,0,0]=4 403 B7R1.3 NC1=NC=NC=C1 83268 [0,0,0,0,0,1|2,0,0]=3 404 B7R1.3 NC1=NC=NC=N1 S12212 [0,0,0,0,0,1|3,0,0]=4 405 B7R1.3 O=C1C=CC=CN1 D87632 [0,0,0,0,0,1|3,0,0]=4 406 B7R1.3 O=C1C=CC=CO1 F16388 [0,0,0,0,0,1|3,0,0]=4 407 B7R1.3 O=C1C=CC=NN1 65442 [0,0,0,0,0,1|3,0,0]=4 408 B7R1.3 O=C1C=CN=CN1 30112 [0,0,0,0,0,1|2,0,0]=3 409 B7R1.3 O=C1C=CNC=C1 D82355 [0,0,0,0,0,1|2,0,0]=3 410 B7R1.3 O=C1C=CNC=N1 O12062 [0,0,0,0,0,1|2,0,0]=3 411 B7R1.3 O=C1C=COC=C1 C14156 [0,0,0,0,0,1|3,0,0]=4 412 B7R1.3 O=C1C=NC=CN1 FD9116 [0,0,0,0,0,1|2,0,0]=3 413 B7R1.3 OC1=CC=NC=C1 37339 [0,0,0,0,0,1|2,0,0]=3 414 B7R1.3 OC1=CN=CC=C1 D70736 [0,0,0,0,0,1|2,0,0]=3 415 B7R1.3 OC1=CN=CN=C1 25771 [0,0,0,0,0,1|1,0,1]=3 416 B7R1.3 OC1=CN=NC=C1 25993 [0,0,0,0,0,1|1,0,1]=3 417 B7R1.3 OC1=NC=CC=C1 P20525 [0,0,0,0,0,1|3,0,0]=4 418 B7R1.3 OC1=NC=CN=C1 BL005716 [0,0,0,0,0,1|2,0,0]=3 419 B7R1.3 OC1=NC=NC=C1 33064 [0,0,0,0,0,1|2,0,0]=3 420 B7R1.3 OC1=NC=NC=C1 AC8519 [0,0,0,0,0,1|2,0,0]=3 421 B7R1.3 S=C1C=CC=CN1 73778 [0,0,0,0,0,1|3,0,0]=4 422 B7R1.3 SC1=CC=NC=C1 F10307 [0,0,0,0,0,1|2,0,0]=3 423 B7R1.3 SC1=NC=NC=C1 H10027 [0,0,0,0,0,1|2,0,0]=3 424 B7R1.3 [O-]C1=CC=CC=C1 P16744 [0,0,0,0,0,1|3,0,0]=4 425 B7R1.3 [S-]C1=CC=CC=C1 66302 [0,0,0,0,0,1|3,0,0]=4 426 B7R1.3 [SeH]C1=CC=CC=C1 A12723 [0,0,0,0,0,1|3,0,0]=4 427 B7R1.3 [SiH3]C1=CC=CC=C1 FD15006 [0,0,0,0,0,1|2,1,0]=4 428 B7R1.3 [SnH6+3]C1=CC=CC=C1 D92098 [0,0,0,0,0,1|3,0,0]=4 429 B4R0.1 C=C(C)C=O H10713 [1,0,1,0,0,0|1,0,0]=3 430 B4R0.1 C=C(C)CBr 29319 [1,0,1,0,0,0|1,0,1]=4 431 B4R0.1 C=C(C)CN 29496 [1,0,1,0,0,0|0,0,1]=3 432 B4R0.1 C=C(C)CO H10780 [1,0,1,0,0,0|1,0,1]=4 433 B4R0.1 CC(=N)NO 74820 [1,0,1,0,0,0|2,0,0]=4 434 B4R0.1 CC(=O)CN 24448 [1,0,1,0,0,0|1,0,1]=4 435 B4R0.1 CC(=O)NBr 70825 [1,0,1,0,0,0|2,0,0]=4 436 B4R0.1 CC(=O)NN AB6005 [1,0,1,0,0,0|1,0,1]=4 437 B4R0.1 CC(=O)NO 78370 [1,0,1,0,0,0|2,0,0]=4 438 B4R0.1 CC(C)=CBr 29237 [1,0,1,0,0,0|1,0,1]=4 439 B4R0.1 CC(C)=NO D70154 [1,0,1,0,0,0|1,0,1]=4 440 B4R0.1 C\C(N)=N\O 35620 [1,0,1,0,0,0|2,0,0]=4 441 B4R0.1 N=C(N)CN 20106 [1,0,1,0,0,0|1,0,1]=4 442 B4R0.1 N=C(N)NN A11354 [1,0,1,0,0,0|2,0,0]=4 443 B4R0.1 N=C(N)NN AC8587 [1,0,1,0,0,0|2,0,0]=4 444 B4R0.2 C=CCCN 68196 [1,0,1,0,0,0|1,0,1]=4 445 B4R0.2 C=CCNC F21270 [1,0,1,0,0,0|1,0,1]=4 446 B4R0.2 C=CCNN 72911 [1,0,1,0,0,0|0,0,2]=4 447 B4R0.2 C=CCON 77603 [1,0,1,0,0,0|1,0,1]=4 448 B4R0.2 C\C=C/CC D91891 [1,0,1,0,0,0|1,0,1]=4 449 B4R0.2 C\C=C\OC 28751 [1,0,1,0,0,0|1,0,1]=4 450 B6R0.1 C\C(=C/N=O)NO 74110 [0,1,1,0,0,0|2,0,0]=4 451 B6R0.2 CC(=O)\C=C(\C)N A11050 [0,1,1,0,0,0|2,0,0]=4 452 B6R0.3 CC(=O)\C(C)=N\O F21281 [0,1,1,0,0,0|2,0,0]=4 453 B6R0.4 C=C(C)CNCC D95542 [0,1,1,0,0,0|1,0,1]=4 454 B6R0.6 C\C=C\C=C\C=O D90909 [0,1,1,0,0,0|2,0,0]=4 455 B8R1.2 BrCC1=CC=NC=C1 30281 [0,1,0,0,0,1|1,0,0]=3 456 B8R1.2 BrCC1=CN=CC=C1 30280 [0,1,0,0,0,1|1,0,0]=3 457 B8R1.2 BrCC1=NC=CC=C1 77889 [0,1,0,0,0,1|2,0,0]=4 458 B8R1.2 C#CC1=CC=CN=C1 75817 [0,1,0,0,0,1|1,0,1]=4 459 B8R1.2 C#CC1=CC=NC=C1 37302 [0,1,0,0,0,1|1,0,1]=4 460 B8R1.2 C#CC1=CC=NC=C1 60878 [0,1,0,0,0,1|1,0,1]=4 461 B8R1.2 CCC1=NC=CN=C1 O10771 [0,1,0,0,0,1|1,0,0]=3 462 B8R1.2 CNC1=CC=CC=C1 D91386 [0,1,0,0,0,1|2,0,0]=4 463 B8R1.2 CNC1=CC=CN=C1 34276 [0,1,0,0,0,1|1,0,0]=3 464 B8R1.2 CNC1=CC=NC=C1 76167 [0,1,0,0,0,1|1,0,0]=3 465 B8R1.2 CNC1=NC=CC=C1 F19549 [0,1,0,0,0,1|2,0,0]=4 466 B8R1.2 CNC1=NC=CN=C1 71735 [0,1,0,0,0,1|1,0,0]=3 467 B8R1.2 COC1=CC=NC=C1 78629 [0,1,0,0,0,1|1,0,0]=3 468 B8R1.2 COC1=CN=CC=C1 35432 [0,1,0,0,0,1|1,0,0]=3 469 B8R1.2 COC1=CN=NC=C1 F20587 [0,1,0,0,0,1|0,0,1]=3 470 B8R1.2 COC1=NC=CC=C1 26095 [0,1,0,0,0,1|2,0,0]=4 471 B8R1.2 COC1=NC=CN=C1 O10825 [0,1,0,0,0,1|1,0,0]=3 472 B8R1.2 COC1=NN=CC=C1 24851 [0,1,0,0,0,1|2,0,0]=4 473 B8R1.2 CSC1=CC=CC=C1 D72508 [0,1,0,0,0,1|2,0,0]=4 474 B8R1.2 CSC1=NC=CC=C1 75585 [0,1,0,0,0,1|2,0,0]=4 475 B8R1.2 CSC1=NC=CN=C1 W13055 [0,1,0,0,0,1|1,0,0]=3 476 B8R1.2 CSC1=NN=CC=N1 88638 [0,1,0,0,0,1|2,0,0]=4 477 B8R1.2 ClCC1=CC=NC=C1 82047 [0,1,0,0,0,1|1,0,0]=3 478 B8R1.2 ClCC1=CN=CC=C1 83428 [0,1,0,0,0,1|1,0,0]=3 479 B8R1.2 ClCC1=CN=CN=C1 37058 [0,1,0,0,0,1|0,0,1]=3 480 B8R1.2 ClCC1=NC=CC=C1 75521 [0,1,0,0,0,1|2,0,0]=4 481 B8R1.2 ClCC1=NC=CN=C1 79386 [0,1,0,0,0,1|1,0,0]=3 482 B8R1.2 FCC1=CC=NC=C1 76121 [0,1,0,0,0,1|1,0,0]=3 483 B8R1.2 ICC1=CC=CC=C1 27443 [0,1,0,0,0,1|2,0,0]=4 484 B8R1.2 N#CC1=CC=NC=C1 D77982 [0,1,0,0,0,1|1,0,1]=4 485 B8R1.2 N#CC1=CN=CC=C1 P19604 [0,1,0,0,0,1|1,0,1]=4 486 B8R1.2 N#CC1=CN=CN=C1 CL1906 [0,1,0,0,0,1|0,0,2]=4 487 B8R1.2 N#CC1=NC=CN=C1 44475 [0,1,0,0,0,1|1,0,1]=4 488 B8R1.2 N#CC1=NC=NC=C1 25754 [0,1,0,0,0,1|1,0,1]=4 489 B8R1.2 NCC1=CC=CC=C1 D70185 [0,1,0,0,0,1|2,0,0]=4 490 B8R1.2 NCC1=CC=CN=C1 D70555 [0,1,0,0,0,1|1,0,0]=3 491 B8R1.2 NCC1=CC=NC=C1 F11237 [0,1,0,0,0,1|1,0,0]=3 492 B8R1.2 NCC1=CN=CN=C1 P19941 [0,1,0,0,0,1|0,0,1]=3 493 B8R1.2 NCC1=NC=CC=C1 F11236 [0,1,0,0,0,1|2,0,0]=4 494 B8R1.2 NCC1=NC=CN=C1 34958 [0,1,0,0,0,1|1,0,0]=3 495 B8R1.2 NCC1=NC=CN=C1 AR1004 [0,1,0,0,0,1|1,0,0]=3 496 B8R1.2 NCC1=NC=NC=C1 26567 [0,1,0,0,0,1|1,0,0]=3 497 B8R1.2 NCC1=NC=NC=C1 36977 [0,1,0,0,0,1|1,0,0]=3 498 B8R1.2 NCC1=NC=NC=C1 P10494 [0,1,0,0,0,1|1,0,0]=3 499 B8R1.2 NNC1=CC=CN=C1 23837 [0,1,0,0,0,1|2,0,0]=4 500 B8R1.2 NNC1=CC=CN=C1 O11009 [0,1,0,0,0,1|2,0,0]=4 501 B8R1.2 NNC1=CC=NC=C1 24497 [0,1,0,0,0,1|2,0,0]=4 502 B8R1.2 NNC1=NC=CN=C1 62974 [0,1,0,0,0,1|2,0,0]=4 503 B8R1.2 O=CC1=CC=NC=C1 20088 [0,1,0,0,0,1|1,0,1]=4 504 B8R1.2 O=CC1=CN=CC=C1 65498 [0,1,0,0,0,1|1,0,1]=4 505 B8R1.2 O=CC1=CN=CN=C1 67525 [0,1,0,0,0,1|0,0,2]=4 506 B8R1.2 O=CC1=CN=NC=C1 37051 [0,1,0,0,0,1|0,0,2]=4 507 B8R1.2 O=CC1=NC=CN=C1 24785 [0,1,0,0,0,1|1,0,1]=4 508 B8R1.2 OCC1=CC=CC=C1 D70182 [0,1,0,0,0,1|2,0,0]=4 509 B8R1.2 OCC1=CC=NC=C1 20084 [0,1,0,0,0,1|1,0,0]=3 510 B8R1.2 OCC1=CN=CC=C1 P16746 [0,1,0,0,0,1|1,0,0]=3 511 B8R1.2 OCC1=CN=CN=C1 BL000247 [0,1,0,0,0,1|0,0,1]=3 512 B8R1.2 OCC1=NC=CC=C1 AC7883 [0,1,0,0,0,1|2,0,0]=4 513 B8R1.2 OCC1=NC=CN=C1 BL002777 [0,1,0,0,0,1|1,0,0]=3 514 B8R1.2 OCC1=NC=NC=C1 25637 [0,1,0,0,0,1|1,0,0]=3 515 B8R1.2 OCC1=NN=CC=C1 25292 [0,1,0,0,0,1|2,0,0]=4 516 B8R1.3 BrC1=CN=C(Br)C=C1 CX1094 [0,1,0,0,0,1|2,0,0]=4 517 B8R1.3 BrC1=CN=C(Br)C=N1 52689 [0,1,0,0,0,1|2,0,0]=4 518 B8R1.3 BrC1=CN=C(Br)N=C1 34363 [0,1,0,0,0,1|1,0,1]=4 519 B8R1.3 BrC1=CN=C(I)C=C1 54647 [0,1,0,0,0,1|2,0,0]=4 520 B8R1.3 BrC1=CN=C(I)C=N1 52904 [0,1,0,0,0,1|2,0,0]=4 521 B8R1.3 BrC1=CN=C(I)N=C1 54512 [0,1,0,0,0,1|1,0,1]=4 522 B8R1.3 BrC1=NC=C(I)C=C1 54629 [0,1,0,0,0,1|2,0,0]=4 523 B8R1.3 CC1=CC=C(Br)C=C1 36845 [0,1,0,0,0,1|2,0,0]=4 524 B8R1.3 CC1=CC=C(I)C=C1 D70830 [0,1,0,0,0,1|2,0,0]=4 525 B8R1.3 CC1=CC=C(N)C=C1 D97711 [0,1,0,0,0,1|2,0,0]=4 526 B8R1.3 CC1=CC=C(N)N=N1 25686 [0,1,0,0,0,1|2,0,0]=4 527 B8R1.3 CC1=CC=[N+](C)C=C1 D95896 [0,1,0,0,0,1|1,0,1]=4 528 B8R1.3 CC1=CC=[N+]([O-])C=C1 H10689 [0,1,0,0,0,1|1,0,1]=4 529 B8R1.3 CC1=CN=C(Br)C=C1 21508 [0,1,0,0,0,1|1,0,0]=3 530 B8R1.3 CC1=CN=C(Br)N=C1 RB3278 [0,1,0,0,0,1|0,0,1]=3 531 B8R1.3 CC1=CN=C(C)C=C1 I10249 [0,1,0,0,0,1|1,0,0]=3 532 B8R1.3 CC1=CN=C(C)C=N1 P19770 [0,1,0,0,0,1|1,0,0]=3 533 B8R1.3 CC1=CN=C(Cl)C=C1 24238 [0,1,0,0,0,1|1,0,0]=3 534 B8R1.3 CC1=CN=C(Cl)C=N1 20025 [0,1,0,0,0,1|1,0,0]=3 535 B8R1.3 CC1=CN=C(Cl)N=C1 24599 [0,1,0,0,0,1|0,0,1]=3 536 B8R1.3 CC1=CN=C(F)C=C1 F11222 [0,1,0,0,0,1|1,0,0]=3 537 B8R1.3 CC1=CN=C(I)C=C1 N12262 [0,1,0,0,0,1|1,0,0]=3 538 B8R1.3 CC1=CN=C(N)C=C1 RB8006 [0,1,0,0,0,1|1,0,0]=3 539 B8R1.3 CC1=CN=C(N)C=N1 51761 [0,1,0,0,0,1|1,0,0]=3 540 B8R1.3 CC1=CN=C(O)C=C1 79099 [0,1,0,0,0,1|1,0,0]=3 541 B8R1.3 CC1=CN=C(S)C=C1 D94854 [0,1,0,0,0,1|1,0,0]=3 542 B8R1.3 CC1=CNC(=O)C=C1 CK2605 [0,1,0,0,0,1|1,0,0]=3 543 B8R1.3 CC1=CNC(=O)N=C1 W16753 [0,1,0,0,0,1|0,0,0]=2 544 B8R1.3 CC1=NC=C(Br)C=C1 76234 [0,1,0,0,0,1|2,0,0]=4 545 B8R1.3 CC1=NC=C(Br)C=N1 66253 [0,1,0,0,0,1|1,0,1]=4 546 B8R1.3 CC1=NC=C(Cl)C=C1 22535 [0,1,0,0,0,1|2,0,0]=4 547 B8R1.3 CC1=NC=C(Cl)C=N1 27124 [0,1,0,0,0,1|1,0,1]=4 548 B8R1.3 CC1=NC=C(F)C=C1 82230 [0,1,0,0,0,1|2,0,0]=4 549 B8R1.3 CC1=NC=C(N)C=C1 AB1090 [0,1,0,0,0,1|2,0,0]=4 550 B8R1.3 CC1=NC=C(N)C=N1 68641 [0,1,0,0,0,1|1,0,1]=4 551 B8R1.3 CC1=NC=C(O)C=C1 CL0058 [0,1,0,0,0,1|2,0,0]=4 552 B8R1.3 CC1=NN=C(Br)C=C1 30338 [0,1,0,0,0,1|2,0,0]=4 553 B8R1.3 CC1=NN=C(Cl)C=C1 RB8008 [0,1,0,0,0,1|2,0,0]=4 554 B8R1.3 CC1=NN=C(I)C=C1 37532 [0,1,0,0,0,1|2,0,0]=4 555 B8R1.3 CC1=NN=C(O)C=C1 P14675 [0,1,0,0,0,1|2,0,0]=4 556 B8R1.3 CC1=NNC(=O)C=C1 35005 [0,1,0,0,0,1|2,0,0]=4 557 B8R1.3 CC1=NNC(=O)C=C1 AB7619 [0,1,0,0,0,1|2,0,0]=4 558 B8R1.3 ClC1=CN=C(Br)C=C1 22267 [0,1,0,0,0,1|2,0,0]=4 559 B8R1.3 ClC1=CN=C(Br)C=N1 P10599 [0,1,0,0,0,1|2,0,0]=4 560 B8R1.3 ClC1=CN=C(Br)N=C1 30343 [0,1,0,0,0,1|1,0,1]=4 561 B8R1.3 ClC1=CN=C(Cl)C=C1 78405 [0,1,0,0,0,1|2,0,0]=4 562 B8R1.3 ClC1=CN=C(Cl)C=N1 60538 [0,1,0,0,0,1|2,0,0]=4 563 B8R1.3 ClC1=CN=C(Cl)N=C1 34969 [0,1,0,0,0,1|1,0,1]=4 564 B8R1.3 ClC1=CN=C(I)C=C1 34765 [0,1,0,0,0,1|2,0,0]=4 565 B8R1.3 ClC1=CN=C(I)C=N1 27516 [0,1,0,0,0,1|2,0,0]=4 566 B8R1.3 ClC1=CN=C(I)N=C1 34789 [0,1,0,0,0,1|1,0,1]=4 567 B8R1.3 ClC1=NC=C(Br)C=C1 21554 [0,1,0,0,0,1|2,0,0]=4 568 B8R1.3 ClC1=NC=C(Br)C=N1 56945 [0,1,0,0,0,1|1,0,1]=4 569 B8R1.3 ClC1=NC=C(I)C=C1 CL0078 [0,1,0,0,0,1|2,0,0]=4 570 B8R1.3 ClC1=NC=C(I)C=N1 BL008327 [0,1,0,0,0,1|1,0,1]=4 571 B8R1.3 FC1=CN=C(Br)C=C1 RB1019 [0,1,0,0,0,1|2,0,0]=4 572 B8R1.3 FC1=CN=C(Br)N=C1 38373 [0,1,0,0,0,1|1,0,1]=4 573 B8R1.3 FC1=CN=C(Cl)C=C1 RB1022 [0,1,0,0,0,1|2,0,0]=4 574 B8R1.3 FC1=CN=C(Cl)N=C1 57822 [0,1,0,0,0,1|1,0,1]=4 575 B8R1.3 FC1=CN=C(F)C=C1 22537 [0,1,0,0,0,1|2,0,0]=4 576 B8R1.3 FC1=CN=C(I)C=C1 25748 [0,1,0,0,0,1|2,0,0]=4 577 B8R1.3 FC1=NC=C(Br)C=C1 22381 [0,1,0,0,0,1|2,0,0]=4 578 B8R1.3 FC1=NC=C(Br)C=N1 78708 [0,1,0,0,0,1|1,0,1]=4 579 B8R1.3 FC1=NC=C(Cl)C=C1 69231 [0,1,0,0,0,1|2,0,0]=4 580 B8R1.3 FC1=NC=C(I)C=C1 61092 [0,1,0,0,0,1|2,0,0]=4 581 B8R1.3 NC1=CN=C(Br)C=C1 RB1035 [0,1,0,0,0,1|2,0,0]=4 582 B8R1.3 NC1=CN=C(Br)C=N1 51590 [0,1,0,0,0,1|2,0,0]=4 583 B8R1.3 NC1=CN=C(Cl)C=C1 20448 [0,1,0,0,0,1|2,0,0]=4 584 B8R1.3 NC1=CN=C(Cl)C=N1 BL002581 [0,1,0,0,0,1|2,0,0]=4 585 B8R1.3 NC1=CN=C(Cl)N=C1 24229 [0,1,0,0,0,1|1,0,1]=4 586 B8R1.3 NC1=CN=C(F)C=C1 22357 [0,1,0,0,0,1|2,0,0]=4 587 B8R1.3 NC1=CN=C(I)C=N1 26788 [0,1,0,0,0,1|2,0,0]=4 588 B8R1.3 NC1=CN=C(N)C=C1 28654 [0,1,0,0,0,1|2,0,0]=4 589 B8R1.3 NC1=CN=C(N)N=C1 25291 [0,1,0,0,0,1|1,0,1]=4 590 B8R1.3 NC1=CN=C(O)C=C1 56039 [0,1,0,0,0,1|2,0,0]=4 591 B8R1.3 NC1=NC=C(Br)C=C1 CL0041 [0,1,0,0,0,1|2,0,0]=4 592 B8R1.3 NC1=NC=C(Br)C=N1 CL1918 [0,1,0,0,0,1|1,0,1]=4 593 B8R1.3 NC1=NC=C(Cl)C=C1 AB2782 [0,1,0,0,0,1|2,0,0]=4 594 B8R1.3 NC1=NC=C(Cl)C=N1 O11413 [0,1,0,0,0,1|1,0,1]=4 595 B8R1.3 NC1=NC=C(F)C=C1 82242 [0,1,0,0,0,1|2,0,0]=4 596 B8R1.3 NC1=NC=C(F)C=N1 84412 [0,1,0,0,0,1|1,0,1]=4 597 B8R1.3 NC1=NC=C(I)C=C1 20240 [0,1,0,0,0,1|2,0,0]=4 598 B8R1.3 NC1=NC=C(I)C=N1 52170 [0,1,0,0,0,1|1,0,1]=4 599 B8R1.3 NC1=NC=C(O)C=C1 97503 [0,1,0,0,0,1|2,0,0]=4 600 B8R1.3 NC1=NC=C(O)C=C1 CL0038 [0,1,0,0,0,1|2,0,0]=4 601 B8R1.3 O=C1C=CC(O)=CN1 36364 [0,1,0,0,0,1|2,0,0]=4 602 B8R1.3 O=C1N=CC(Br)=CN1 FD9019 [0,1,0,0,0,1|1,0,0]=3 603 B8R1.3 O=C1N=CC(Br)=CN1 P17992 [0,1,0,0,0,1|1,0,0]=3 604 B8R1.3 OC1=CN=C(Br)C=C1 54625 [0,1,0,0,0,1|2,0,0]=4 605 B8R1.3 OC1=CN=C(Br)C=N1 34803 [0,1,0,0,0,1|2,0,0]=4 606 B8R1.3 OC1=CN=C(Br)N=C1 54637 [0,1,0,0,0,1|1,0,1]=4 607 B8R1.3 OC1=CN=C(Cl)C=C1 22272 [0,1,0,0,0,1|2,0,0]=4 608 B8R1.3 OC1=CN=C(Cl)C=N1 24985 [0,1,0,0,0,1|2,0,0]=4 609 B8R1.3 OC1=CN=C(Cl)N=C1 11208 [0,1,0,0,0,1|1,0,1]=4 610 B8R1.3 OC1=CN=C(F)C=C1 RB1138 [0,1,0,0,0,1|2,0,0]=4 611 B8R1.3 OC1=CN=C(I)C=C1 20324 [0,1,0,0,0,1|2,0,0]=4 612 B8R1.3 OC1=NC=C(Br)C=C1 22271 [0,1,0,0,0,1|2,0,0]=4 613 B8R1.3 OC1=NC=C(Br)C=N1 23102 [0,1,0,0,0,1|1,0,1]=4 614 B8R1.3 OC1=NC=C(Cl)C=C1 I10252 [0,1,0,0,0,1|2,0,0]=4 615 B8R1.3 OC1=NC=C(Cl)C=N1 AT18417 [0,1,0,0,0,1|1,0,1]=4 616 B8R1.3 OC1=NC=C(F)C=C1 84411 [0,1,0,0,0,1|2,0,0]=4 617 B8R1.3 OC1=NC=C(I)C=C1 F10618 [0,1,0,0,0,1|2,0,0]=4 618 B8R1.3 OC1=NC=C(I)C=N1 83188 [0,1,0,0,0,1|1,0,1]=4 619 B8R1.3 SC1=NC=C(Br)C=C1 N12057 [0,1,0,0,0,1|2,0,0]=4 620 B8R1.3 SC1=NC=C(Cl)C=C1 78961 [0,1,0,0,0,1|2,0,0]=4 621 B8R1.4 BrC1=CC(Br)=NC=C1 CL0012 [0,1,0,0,0,1|2,0,0]=4 622 B8R1.4 BrC1=CC(Br)=NC=N1 23682 [0,1,0,0,0,1|2,0,0]=4 623 B8R1.4 BrC1=CC(I)=CN=C1 81980 [0,1,0,0,0,1|2,0,0]=4 624 B8R1.4 BrC1=CC=NC(Br)=N1 37120 [0,1,0,0,0,1|2,0,0]=4 625 B8R1.4 BrC1=CN=CC(Br)=C1 36869 [0,1,0,0,0,1|2,0,0]=4 626 B8R1.4 BrC1=CN=CC(Br)=N1 35953 [0,1,0,0,0,1|2,0,0]=4 627 B8R1.4 BrC1=NC=CC(I)=C1 BL007849 [0,1,0,0,0,1|2,0,0]=4 628 B8R1.4 CC1=CC(=O)NN=C1 24791 [0,1,0,0,0,1|0,0,0]=2 629 B8R1.4 CC1=CC(Br)=CN=C1 53604 [0,1,0,0,0,1|1,0,0]=3 630 B8R1.4 CC1=CC(Br)=NC=C1 AB2694 [0,1,0,0,0,1|1,0,0]=3 631 B8R1.4 CC1=CC(Br)=NC=N1 54205 [0,1,0,0,0,1|1,0,0]=3 632 B8R1.4 CC1=CC(C)=NC=N1 35009 [0,1,0,0,0,1|1,0,0]=3 633 B8R1.4 CC1=CC(Cl)=CN=C1 H10159 [0,1,0,0,0,1|1,0,0]=3 634 B8R1.4 CC1=CC(Cl)=NC=C1 57495 [0,1,0,0,0,1|1,0,0]=3 635 B8R1.4 CC1=CC(Cl)=NC=N1 35537 [0,1,0,0,0,1|1,0,0]=3 636 B8R1.4 CC1=CC(Cl)=NN=C1 57279 [0,1,0,0,0,1|0,0,1]=3 637 B8R1.4 CC1=CC(F)=CN=C1 22439 [0,1,0,0,0,1|1,0,0]=3 638 B8R1.4 CC1=CC(F)=NC=C1 C91259 [0,1,0,0,0,1|1,0,0]=3 639 B8R1.4 CC1=CC(N)=NC=C1 AB2620 [0,1,0,0,0,1|1,0,0]=3 640 B8R1.4 CC1=CC(N)=NC=N1 27127 [0,1,0,0,0,1|1,0,0]=3 641 B8R1.4 CC1=CC(O)=CN=C1 24996 [0,1,0,0,0,1|1,0,0]=3 642 B8R1.4 CC1=CC(O)=NC=C1 28679 [0,1,0,0,0,1|1,0,0]=3 643 B8R1.4 CC1=CC(O)=NC=N1 83011 [0,1,0,0,0,1|1,0,0]=3 644 B8R1.4 CC1=CC=CC(Br)=C1 A10695 [0,1,0,0,0,1|2,0,0]=4 645 B8R1.4 CC1=CC=CC(Br)=N1 63005 [0,1,0,0,0,1|2,0,0]=4 646 B8R1.4 CC1=CC=CC(Cl)=N1 22110 [0,1,0,0,0,1|2,0,0]=4 647 B8R1.4 CC1=CC=CC(F)=N1 D70847 [0,1,0,0,0,1|2,0,0]=4 648 B8R1.4 CC1=CC=CC(I)=C1 AC7852 [0,1,0,0,0,1|2,0,0]=4 649 B8R1.4 CC1=CC=CC(N)=C1 D85823 [0,1,0,0,0,1|2,0,0]=4 650 B8R1.4 CC1=CC=CC(N)=C1 D97463 [0,1,0,0,0,1|2,0,0]=4 651 B8R1.4 CC1=CC=CC(N)=N1 RB1111 [0,1,0,0,0,1|2,0,0]=4 652 B8R1.4 CC1=CC=CC(O)=N1 W10567 [0,1,0,0,0,1|2,0,0]=4 653 B8R1.4 CC1=CC=CC(S)=N1 C73538 [0,1,0,0,0,1|2,0,0]=4 654 B8R1.4 CC1=CC=C[N+]([O-])=C1 52661 [0,1,0,0,0,1|1,0,1]=4 655 B8R1.4 CC1=CC=NC(=S)N1 D73976 [0,1,0,0,0,1|1,0,0]=3 656 B8R1.4 CC1=CC=NC(Br)=N1 54482 [0,1,0,0,0,1|1,0,0]=3 657 B8R1.4 CC1=CC=NC(C)=N1 O10603 [0,1,0,0,0,1|1,0,0]=3 658 B8R1.4 CC1=CC=NC(Cl)=N1 SC2231 [0,1,0,0,0,1|1,0,0]=3 659 B8R1.4 CC1=CC=NC(N)=N1 20138 [0,1,0,0,0,1|1,0,0]=3 660 B8R1.4 CC1=CN=CC(=O)N1 35315 [0,1,0,0,0,1|1,0,0]=3 661 B8R1.4 CC1=CN=CC(Br)=N1 77930 [0,1,0,0,0,1|1,0,0]=3 662 B8R1.4 CC1=CN=CC(C)=N1 O10631 [0,1,0,0,0,1|1,0,0]=3 663 B8R1.4 CC1=CN=CC(Cl)=N1 23256 [0,1,0,0,0,1|1,0,0]=3 664 B8R1.4 CC1=CN=CC(N)=C1 20202 [0,1,0,0,0,1|1,0,0]=3 665 B8R1.4 CC1=CN=CC(N)=C1 22497 [0,1,0,0,0,1|1,0,0]=3 666 B8R1.4 CC1=CN=CC(N)=N1 BL002901 [0,1,0,0,0,1|1,0,0]=3 667 B8R1.4 CC1=CN=NC(N)=C1 29754 [0,1,0,0,0,1|0,0,1]=3 668 B8R1.4 CC1=NC(=O)NC=C1 64361 [0,1,0,0,0,1|1,0,0]=3 669 B8R1.4 CC1=NC(=O)NC=C1 P10883 [0,1,0,0,0,1|1,0,0]=3 670 B8R1.4 CC1=NC(=S)NC=C1 D97797 [0,1,0,0,0,1|1,0,0]=3 671 B8R1.4 CC1=NC=CC(Br)=C1 54496 [0,1,0,0,0,1|2,0,0]=4 672 B8R1.4 CC1=NC=CC(Br)=C1 55789 [0,1,0,0,0,1|2,0,0]=4 673 B8R1.4 CC1=NC=CC(Br)=N1 S11029 [0,1,0,0,0,1|2,0,0]=4 674 B8R1.4 CC1=NC=CC(Cl)=C1 22140 [0,1,0,0,0,1|2,0,0]=4 675 B8R1.4 CC1=NC=CC(Cl)=N1 58074 [0,1,0,0,0,1|2,0,0]=4 676 B8R1.4 CC1=NC=CC(F)=C1 22529 [0,1,0,0,0,1|2,0,0]=4 677 B8R1.4 CC1=NC=CC(N)=C1 CL0056 [0,1,0,0,0,1|2,0,0]=4 678 B8R1.4 CC1=NC=CC(N)=N1 78900 [0,1,0,0,0,1|2,0,0]=4 679 B8R1.4 CC1=NC=CC(O)=C1 CL0327 [0,1,0,0,0,1|2,0,0]=4 680 B8R1.4 CC1=NC=CC(O)=N1 23666 [0,1,0,0,0,1|2,0,0]=4 681 B8R1.4 CC1=NC=CC(O)=N1 D78263 [0,1,0,0,0,1|2,0,0]=4 682 B8R1.4 ClC1=CC(Br)=CN=C1 22543 [0,1,0,0,0,1|2,0,0]=4 683 B8R1.4 ClC1=CC(Br)=NC=C1 22483 [0,1,0,0,0,1|2,0,0]=4 684 B8R1.4 ClC1=CC(Cl)=NC=C1 68409 [0,1,0,0,0,1|2,0,0]=4 685 B8R1.4 ClC1=CC(Cl)=NC=N1 25007 [0,1,0,0,0,1|2,0,0]=4 686 B8R1.4 ClC1=CC(Cl)=NN=C1 24433 [0,1,0,0,0,1|1,0,1]=4 687 B8R1.4 ClC1=CC=NC(Cl)=N1 25238 [0,1,0,0,0,1|2,0,0]=4 688 B8R1.4 ClC1=CN=CC(Br)=N1 71793 [0,1,0,0,0,1|2,0,0]=4 689 B8R1.4 ClC1=CN=CC(Cl)=C1 78729 [0,1,0,0,0,1|2,0,0]=4 690 B8R1.4 ClC1=CN=CC(Cl)=N1 P16520 [0,1,0,0,0,1|2,0,0]=4 691 B8R1.4 ClC1=NC=CC(Br)=C1 22482 [0,1,0,0,0,1|2,0,0]=4 692 B8R1.4 ClC1=NC=CC(Br)=N1 67442 [0,1,0,0,0,1|2,0,0]=4 693 B8R1.4 ClC1=NC=CC(I)=C1 22375 [0,1,0,0,0,1|2,0,0]=4 694 B8R1.4 FC1=CC(Br)=CN=C1 33619 [0,1,0,0,0,1|2,0,0]=4 695 B8R1.4 FC1=CC(Br)=NC=C1 22675 [0,1,0,0,0,1|2,0,0]=4 696 B8R1.4 FC1=CC(Cl)=CN=C1 35049 [0,1,0,0,0,1|2,0,0]=4 697 B8R1.4 FC1=CC(Cl)=NC=C1 22489 [0,1,0,0,0,1|2,0,0]=4 698 B8R1.4 FC1=CC(F)=NC=C1 22531 [0,1,0,0,0,1|2,0,0]=4 699 B8R1.4 FC1=CC(F)=NC=N1 75984 [0,1,0,0,0,1|2,0,0]=4 700 B8R1.4 FC1=CC(I)=CN=C1 BL008236 [0,1,0,0,0,1|2,0,0]=4 701 B8R1.4 FC1=CC=NC(F)=N1 60030 [0,1,0,0,0,1|2,0,0]=4 702 B8R1.4 FC1=CN=CC(F)=C1 61832 [0,1,0,0,0,1|2,0,0]=4 703 B8R1.4 FC1=NC=CC(Br)=C1 22496 [0,1,0,0,0,1|2,0,0]=4 704 B8R1.4 FC1=NC=CC(Cl)=C1 BL006191 [0,1,0,0,0,1|2,0,0]=4 705 B8R1.4 FC1=NC=CC(I)=C1 62818 [0,1,0,0,0,1|2,0,0]=4 706 B8R1.4 IC1=CC=NC(I)=N1 23698 [0,1,0,0,0,1|2,0,0]=4 707 B8R1.4 IC1=CN=CC(I)=N1 25351 [0,1,0,0,0,1|2,0,0]=4 708 B8R1.4 NC1=CC(=O)NC=C1 P10774 [0,1,0,0,0,1|2,0,0]=4 709 B8R1.4 NC1=CC(Br)=CN=C1 22359 [0,1,0,0,0,1|2,0,0]=4 710 B8R1.4 NC1=CC(Br)=NC=C1 CL0174 [0,1,0,0,0,1|2,0,0]=4 711 B8R1.4 NC1=CC(Br)=NC=N1 25682 [0,1,0,0,0,1|2,0,0]=4 712 B8R1.4 NC1=CC(Cl)=CN=C1 22471 [0,1,0,0,0,1|2,0,0]=4 713 B8R1.4 NC1=CC(Cl)=NC=C1 26010 [0,1,0,0,0,1|2,0,0]=4 714 B8R1.4 NC1=CC(Cl)=NC=N1 51610 [0,1,0,0,0,1|2,0,0]=4 715 B8R1.4 NC1=CC(F)=CN=C1 82244 [0,1,0,0,0,1|2,0,0]=4 716 B8R1.4 NC1=CC(F)=NC=C1 22440 [0,1,0,0,0,1|2,0,0]=4 717 B8R1.4 NC1=CC(N)=NC=N1 28337 [0,1,0,0,0,1|2,0,0]=4 718 B8R1.4 NC1=CC(O)=NC=C1 CL0173 [0,1,0,0,0,1|2,0,0]=4 719 B8R1.4 NC1=CC=NC(=O)N1 22302 [0,1,0,0,0,1|2,0,0]=4 720 B8R1.4 NC1=CC=NC(=S)N1 D73961 [0,1,0,0,0,1|2,0,0]=4 721 B8R1.4 NC1=CC=NC(Br)=N1 C10064 [0,1,0,0,0,1|2,0,0]=4 722 B8R1.4 NC1=CC=NC(Cl)=N1 22010 [0,1,0,0,0,1|2,0,0]=4 723 B8R1.4 NC1=CC=NC(N)=N1 83219 [0,1,0,0,0,1|2,0,0]=4 724 B8R1.4 NC1=CN=CC(Br)=N1 26137 [0,1,0,0,0,1|2,0,0]=4 725 B8R1.4 NC1=CN=CC(Cl)=N1 52698 [0,1,0,0,0,1|2,0,0]=4 726 B8R1.4 NC1=CN=CC(N)=N1 23407 [0,1,0,0,0,1|2,0,0]=4 727 B8R1.4 NC1=NC=CC(=O)N1 23181 [0,1,0,0,0,1|2,0,0]=4 728 B8R1.4 NC1=NC=CC(Br)=C1 22361 [0,1,0,0,0,1|2,0,0]=4 729 B8R1.4 NC1=NC=CC(Br)=N1 25555 [0,1,0,0,0,1|2,0,0]=4 730 B8R1.4 NC1=NC=CC(Cl)=C1 CL0032 [0,1,0,0,0,1|2,0,0]=4 731 B8R1.4 NC1=NC=CC(Cl)=N1 21306 [0,1,0,0,0,1|2,0,0]=4 732 B8R1.4 NC1=NC=CC(F)=C1 84277 [0,1,0,0,0,1|2,0,0]=4 733 B8R1.4 NC1=NC=CC(I)=C1 32799 [0,1,0,0,0,1|2,0,0]=4 734 B8R1.4 NC1=NC=CC(I)=N1 27239 [0,1,0,0,0,1|2,0,0]=4 735 B8R1.4 NC1=NC=CC(O)=C1 20198 [0,1,0,0,0,1|2,0,0]=4 736 B8R1.4 NC1=NC=CC(O)=C1 55650 [0,1,0,0,0,1|2,0,0]=4 737 B8R1.4 NC1=NC=CC(O)=N1 H10127 [0,1,0,0,0,1|2,0,0]=4 738 B8R1.4 O=C1C=C(Br)C=CN1 38972 [0,1,0,0,0,1|2,0,0]=4 739 B8R1.4 O=C1C=C(Cl)C=NN1 23902 [0,1,0,0,0,1|1,0,0]=3 740 B8R1.4 O=C1C=C(Cl)N=CN1 30140 [0,1,0,0,0,1|2,0,0]=4 741 B8R1.4 O=C1C=C(Cl)NC=N1 FD7369 [0,1,0,0,0,1|2,0,0]=4 742 B8R1.4 O=C1C=C(I)C=CN1 RB3370 [0,1,0,0,0,1|2,0,0]=4 743 B8R1.4 O=C1C=C(I)C=NN1 25645 [0,1,0,0,0,1|1,0,0]=3 744 B8R1.4 O=C1C=C(O)C=CN1 CK2604 [0,1,0,0,0,1|2,0,0]=4 745 B8R1.4 O=C1C=CNC(=O)C1 D80820 [0,1,0,0,0,1|2,0,0]=4 746 B8R1.4 O=C1C=CNC(=S)N1 AB7033 [0,1,0,0,0,1|2,0,0]=4 747 B8R1.4 O=C1C=CNC(Cl)=C1 AB6909 [0,1,0,0,0,1|2,0,0]=4 748 B8R1.4 O=C1C=NNC(=O)N1 60644 [0,1,0,0,0,1|1,0,0]=3 749 B8R1.4 O=C1NC=CC(=S)N1 TD8160 [0,1,0,0,0,1|2,0,0]=4 750 B8R1.4 OC1=CC(Br)=CN=C1 RB1128 [0,1,0,0,0,1|2,0,0]=4 751 B8R1.4 OC1=CC(Br)=NC=C1 23490 [0,1,0,0,0,1|2,0,0]=4 752 B8R1.4 OC1=CC(Cl)=CN=C1 34546 [0,1,0,0,0,1|2,0,0]=4 753 B8R1.4 OC1=CC(Cl)=NC=C1 CL0074 [0,1,0,0,0,1|2,0,0]=4 754 B8R1.4 OC1=CC(Cl)=NC=N1 CL0237 [0,1,0,0,0,1|2,0,0]=4 755 B8R1.4 OC1=CC(F)=CN=C1 25080 [0,1,0,0,0,1|2,0,0]=4 756 B8R1.4 OC1=CC(O)=NC=N1 25011 [0,1,0,0,0,1|2,0,0]=4 757 B8R1.4 OC1=CC=NC(O)=N1 25240 [0,1,0,0,0,1|2,0,0]=4 758 B8R1.4 OC1=CN=CC(Cl)=N1 26167 [0,1,0,0,0,1|2,0,0]=4 759 B8R1.4 OC1=CN=CC(O)=C1 26379 [0,1,0,0,0,1|2,0,0]=4 760 B8R1.4 OC1=NC=CC(Br)=C1 22270 [0,1,0,0,0,1|2,0,0]=4 761 B8R1.4 OC1=NC=CC(Cl)=C1 68148 [0,1,0,0,0,1|2,0,0]=4 762 B8R1.5 BrC1=C(Br)C=NC=C1 34218 [0,1,0,0,0,1|2,0,0]=4 763 B8R1.5 BrC1=C(I)C=CC=N1 29082 [0,1,0,0,0,1|2,0,0]=4 764 B8R1.5 BrC1=C(I)C=CN=C1 I10242 [0,1,0,0,0,1|2,0,0]=4 765 B8R1.5 BrC1=CC=CN=C1Br 61756 [0,1,0,0,0,1|2,0,0]=4 766 B8R1.5 BrC1=CC=CN=C1I W17750 [0,1,0,0,0,1|2,0,0]=4 767 B8R1.5 BrC1=NC=CN=C1Br 26811 [0,1,0,0,0,1|2,0,0]=4 768 B8R1.5 CC1=C(Br)C=CC=N1 22258 [0,1,0,0,0,1|2,0,0]=4 769 B8R1.5 CC1=C(Br)C=CN=C1 56516 [0,1,0,0,0,1|1,0,0]=3 770 B8R1.5 CC1=C(Br)C=CN=C1 56517 [0,1,0,0,0,1|1,0,0]=3 771 B8R1.5 CC1=C(Br)C=NC=C1 22214 [0,1,0,0,0,1|1,0,0]=3 772 B8R1.5 CC1=C(Br)C=NC=N1 25690 [0,1,0,0,0,1|1,0,0]=3 773 B8R1.5 CC1=C(Cl)C=CC=N1 22523 [0,1,0,0,0,1|2,0,0]=4 774 B8R1.5 CC1=C(Cl)C=CN=C1 34650 [0,1,0,0,0,1|1,0,0]=3 775 B8R1.5 CC1=C(Cl)C=CN=C1 F10680 [0,1,0,0,0,1|1,0,0]=3 776 B8R1.5 CC1=C(Cl)C=NC=C1 34540 [0,1,0,0,0,1|1,0,0]=3 777 B8R1.5 CC1=C(F)C=CC=N1 22664 [0,1,0,0,0,1|2,0,0]=4 778 B8R1.5 CC1=C(F)C=CN=C1 C72099 [0,1,0,0,0,1|1,0,0]=3 779 B8R1.5 CC1=C(F)C=NC=C1 63229 [0,1,0,0,0,1|1,0,0]=3 780 B8R1.5 CC1=C(I)C=CC=C1 CK2327 [0,1,0,0,0,1|2,0,0]=4 781 B8R1.5 CC1=C(N)C=CC=C1 O12037 [0,1,0,0,0,1|2,0,0]=4 782 B8R1.5 CC1=C(N)C=CN=C1 CL0137 [0,1,0,0,0,1|1,0,0]=3 783 B8R1.5 CC1=C(N)C=NC=C1 51420 [0,1,0,0,0,1|1,0,0]=3 784 B8R1.5 CC1=C(N)N=NC=C1 29278 [0,1,0,0,0,1|0,0,1]=3 785 B8R1.5 CC1=C(O)C=CC=N1 CL0055 [0,1,0,0,0,1|2,0,0]=4 786 B8R1.5 CC1=C(O)C=CN=C1 CL0138 [0,1,0,0,0,1|1,0,0]=3 787 B8R1.5 CC1=C(O)C=NC=C1 CL8879 [0,1,0,0,0,1|1,0,0]=3 788 B8R1.5 CC1=CC=CN=C1Br 23100 [0,1,0,0,0,1|1,0,0]=3 789 B8R1.5 CC1=CC=CN=C1C P19755 [0,1,0,0,0,1|1,0,0]=3 790 B8R1.5 CC1=CC=CN=C1Cl 35875 [0,1,0,0,0,1|1,0,0]=3 791 B8R1.5 CC1=CC=CN=C1F 75536 [0,1,0,0,0,1|1,0,0]=3 792 B8R1.5 CC1=CC=CN=C1I W17869 [0,1,0,0,0,1|1,0,0]=3 793 B8R1.5 CC1=CC=CN=C1N AB2930 [0,1,0,0,0,1|1,0,0]=3 794 B8R1.5 CC1=CC=CN=C1O 33224 [0,1,0,0,0,1|1,0,0]=3 795 B8R1.5 CC1=CC=CNC1=O D97281 [0,1,0,0,0,1|1,0,0]=3 796 B8R1.5 CC1=CC=NN=C1Cl 38743 [0,1,0,0,0,1|0,0,1]=3 797 B8R1.5 CC1=CC=NN=C1O 62325 [0,1,0,0,0,1|0,0,1]=3 798 B8R1.5 CC1=CN=CN=C1Cl 24617 [0,1,0,0,0,1|0,0,1]=3 799 B8R1.5 CC1=CN=CN=C1N 27195 [0,1,0,0,0,1|0,0,1]=3 800 B8R1.5 CC1=NC=CC=C1N 22472 [0,1,0,0,0,1|2,0,0]=4 801 B8R1.5 CC1=NC=CN=C1C S12348 [0,1,0,0,0,1|1,0,0]=3 802 B8R1.5 CC1=NC=CN=C1Cl 23471 [0,1,0,0,0,1|1,0,0]=3 803 B8R1.5 CC1=NC=CN=C1N 23909 [0,1,0,0,0,1|1,0,0]=3 804 B8R1.5 CC1=NC=CN=C1O 29408 [0,1,0,0,0,1|1,0,0]=3 805 B8R1.5 CC1=[N+]([O-])C=CC=C1 E70334 [0,1,0,0,0,1|2,0,0]=4 806 B8R1.5 ClC1=C(Br)C=CC=N1 CL0158 [0,1,0,0,0,1|2,0,0]=4 807 B8R1.5 ClC1=C(Br)C=CN=C1 22511 [0,1,0,0,0,1|2,0,0]=4 808 B8R1.5 ClC1=C(Br)C=NC=C1 22268 [0,1,0,0,0,1|2,0,0]=4 809 B8R1.5 ClC1=C(Br)C=NC=C1 29920 [0,1,0,0,0,1|2,0,0]=4 810 B8R1.5 ClC1=C(Br)C=NC=N1 25495 [0,1,0,0,0,1|1,0,1]=4 811 B8R1.5 ClC1=C(Cl)C=NC=C1 22377 [0,1,0,0,0,1|2,0,0]=4 812 B8R1.5 ClC1=C(I)C=CC=N1 81862 [0,1,0,0,0,1|2,0,0]=4 813 B8R1.5 ClC1=C(I)C=CN=C1 23607 [0,1,0,0,0,1|2,0,0]=4 814 B8R1.5 ClC1=C(I)C=NC=C1 O11213 [0,1,0,0,0,1|2,0,0]=4 815 B8R1.5 ClC1=C(I)C=NC=C1 P10107 [0,1,0,0,0,1|2,0,0]=4 816 B8R1.5 ClC1=C(I)C=NC=N1 23830 [0,1,0,0,0,1|1,0,1]=4 817 B8R1.5 ClC1=CC=CN=C1Br CK2601 [0,1,0,0,0,1|2,0,0]=4 818 B8R1.5 ClC1=CC=CN=C1Cl FD9101 [0,1,0,0,0,1|2,0,0]=4 819 B8R1.5 ClC1=NC=CN=C1Cl P10041 [0,1,0,0,0,1|2,0,0]=4 820 B8R1.5 FC1=C(Br)C=CC=N1 22493 [0,1,0,0,0,1|2,0,0]=4 821 B8R1.5 FC1=C(Br)C=CN=C1 BL001418 [0,1,0,0,0,1|2,0,0]=4 822 B8R1.5 FC1=C(Br)C=NC=C1 22519 [0,1,0,0,0,1|2,0,0]=4 823 B8R1.5 FC1=C(Cl)C=CC=N1 22527 [0,1,0,0,0,1|2,0,0]=4 824 B8R1.5 FC1=C(Cl)C=CN=C1 22470 [0,1,0,0,0,1|2,0,0]=4 825 B8R1.5 FC1=C(I)C=CC=N1 61046 [0,1,0,0,0,1|2,0,0]=4 826 B8R1.5 FC1=C(I)C=CN=C1 62816 [0,1,0,0,0,1|2,0,0]=4 827 B8R1.5 FC1=CC=CN=C1Br RB1083 [0,1,0,0,0,1|2,0,0]=4 828 B8R1.5 FC1=CC=CN=C1Cl RB1059 [0,1,0,0,0,1|2,0,0]=4 829 B8R1.5 FC1=CC=CN=C1F 23290 [0,1,0,0,0,1|2,0,0]=4 830 B8R1.5 FC1=CC=CN=C1I 32970 [0,1,0,0,0,1|2,0,0]=4 831 B8R1.5 FC1=CN=CN=C1Cl P10750 [0,1,0,0,0,1|1,0,1]=4 832 B8R1.5 NC1=C(Br)C=CC=N1 RB1071 [0,1,0,0,0,1|2,0,0]=4 833 B8R1.5 NC1=C(Br)C=CN=C1 34317 [0,1,0,0,0,1|2,0,0]=4 834 B8R1.5 NC1=C(Br)C=NC=C1 CL0161 [0,1,0,0,0,1|2,0,0]=4 835 B8R1.5 NC1=C(Br)C=NC=N1 25698 [0,1,0,0,0,1|1,0,1]=4 836 B8R1.5 NC1=C(Cl)C=CC=N1 51602 [0,1,0,0,0,1|2,0,0]=4 837 B8R1.5 NC1=C(Cl)C=CN=C1 52085 [0,1,0,0,0,1|2,0,0]=4 838 B8R1.5 NC1=C(Cl)C=NC=C1 CL0145 [0,1,0,0,0,1|2,0,0]=4 839 B8R1.5 NC1=C(F)C=CC=N1 84156 [0,1,0,0,0,1|2,0,0]=4 840 B8R1.5 NC1=C(F)C=NC=C1 CL0178 [0,1,0,0,0,1|2,0,0]=4 841 B8R1.5 NC1=C(F)C=NC=N1 27475 [0,1,0,0,0,1|1,0,1]=4 842 B8R1.5 NC1=C(I)C=CC=N1 23827 [0,1,0,0,0,1|2,0,0]=4 843 B8R1.5 NC1=C(I)C=CN=C1 23289 [0,1,0,0,0,1|2,0,0]=4 844 B8R1.5 NC1=C(I)C=NC=C1 CL0177 [0,1,0,0,0,1|2,0,0]=4 845 B8R1.5 NC1=C(I)C=NC=N1 26773 [0,1,0,0,0,1|1,0,1]=4 846 B8R1.5 NC1=C(N)C=NC=C1 CL0116 [0,1,0,0,0,1|2,0,0]=4 847 B8R1.5 NC1=C(O)C=CC=N1 P16526 [0,1,0,0,0,1|2,0,0]=4 848 B8R1.5 NC1=C(O)C=CN=C1 CL0125 [0,1,0,0,0,1|2,0,0]=4 849 B8R1.5 NC1=C(O)C=NC=C1 22383 [0,1,0,0,0,1|2,0,0]=4 850 B8R1.5 NC1=C(O)C=NC=C1 84217 [0,1,0,0,0,1|2,0,0]=4 851 B8R1.5 NC1=C(O)C=NC=C1 D74103 [0,1,0,0,0,1|2,0,0]=4 852 B8R1.5 NC1=C(O)C=NC=N1 51881 [0,1,0,0,0,1|1,0,1]=4 853 B8R1.5 NC1=CC=CN=C1Br RB1053 [0,1,0,0,0,1|2,0,0]=4 854 B8R1.5 NC1=CC=CN=C1Cl P16534 [0,1,0,0,0,1|2,0,0]=4 855 B8R1.5 NC1=CC=CN=C1F 22436 [0,1,0,0,0,1|2,0,0]=4 856 B8R1.5 NC1=CC=CN=C1N 65488 [0,1,0,0,0,1|2,0,0]=4 857 B8R1.5 NC1=CC=CNC1=O 32959 [0,1,0,0,0,1|2,0,0]=4 858 B8R1.5 NC1=CC=CNC1=S 24684 [0,1,0,0,0,1|2,0,0]=4 859 B8R1.5 NC1=CN=CN=C1Br O11195 [0,1,0,0,0,1|1,0,1]=4 860 B8R1.5 NC1=CN=CN=C1Cl 59618 [0,1,0,0,0,1|1,0,1]=4 861 B8R1.5 NC1=CN=CN=C1O F10321 [0,1,0,0,0,1|1,0,1]=4 862 B8R1.5 NC1=CN=CN=C1O FD7399 [0,1,0,0,0,1|1,0,1]=4 863 B8R1.5 NC1=NC=CN=C1Cl 83269 [0,1,0,0,0,1|2,0,0]=4 864 B8R1.5 NC1=NC=CN=C1N 26762 [0,1,0,0,0,1|2,0,0]=4 865 B8R1.5 NC1=NC=CN=C1O 25554 [0,1,0,0,0,1|2,0,0]=4 866 B8R1.5 O=C1N=CNC=C1Br 20248 [0,1,0,0,0,1|1,0,0]=3 867 B8R1.5 O=C1NC=CC=C1Br 52546 [0,1,0,0,0,1|2,0,0]=4 868 B8R1.5 O=C1NC=CC=C1O P19753 [0,1,0,0,0,1|2,0,0]=4 869 B8R1.5 O=C1NC=CN=C1Cl C71237 [0,1,0,0,0,1|2,0,0]=4 870 B8R1.5 O=C1NC=NC=C1Br 24647 [0,1,0,0,0,1|1,0,0]=3 871 B8R1.5 O=C1NN=CC=C1Cl 25742 [0,1,0,0,0,1|1,0,0]=3 872 B8R1.5 OC1=C(Br)C=CN=C1 25396 [0,1,0,0,0,1|2,0,0]=4 873 B8R1.5 OC1=C(Br)C=NC=C1 CL0162 [0,1,0,0,0,1|2,0,0]=4 874 B8R1.5 OC1=C(Br)C=NC=N1 25995 [0,1,0,0,0,1|1,0,1]=4 875 B8R1.5 OC1=C(Cl)C=CC=N1 CL0143 [0,1,0,0,0,1|2,0,0]=4 876 B8R1.5 OC1=C(Cl)C=CN=C1 25966 [0,1,0,0,0,1|2,0,0]=4 877 B8R1.5 OC1=C(Cl)C=NC=C1 CL0146 [0,1,0,0,0,1|2,0,0]=4 878 B8R1.5 OC1=C(F)C=CC=N1 22417 [0,1,0,0,0,1|2,0,0]=4 879 B8R1.5 OC1=C(F)C=NC=C1 22545 [0,1,0,0,0,1|2,0,0]=4 880 B8R1.5 OC1=C(I)C=NC=C1 F11077 [0,1,0,0,0,1|2,0,0]=4 881 B8R1.5 OC1=CC=CN=C1Br 21556 [0,1,0,0,0,1|2,0,0]=4 882 B8R1.5 OC1=CC=CN=C1Cl 22109 [0,1,0,0,0,1|2,0,0]=4 883 B8R1.5 OC1=CC=CN=C1F 29146 [0,1,0,0,0,1|2,0,0]=4 884 B8R1.5 OC1=CC=CN=C1I 22137 [0,1,0,0,0,1|2,0,0]=4 885 B8R1.5 [BH3]N1=C(C)C=CC=C1 85538 [0,1,0,0,0,1|2,0,0]=4 886 B8R1.1 C=CN1C=C[N+](C)=C1 A11513 [0,2,0,0,0,0|2,0,0]=4 887 B8R1.1 CC1=CC(C#N)=NO1 24768 [0,2,0,0,0,0|2,0,0]=4 888 B8R1.1 CC1=CC(C=O)=NO1 29715 [0,2,0,0,0,0|2,0,0]=4 889 B8R1.1 CC1=CC(CN)=NO1 29741 [0,2,0,0,0,0|2,0,0]=4 890 B8R1.1 CC1=CC(CN)=NO1 71216 [0,2,0,0,0,0|2,0,0]=4 891 B8R1.1 CC1=CC(CO)=NO1 TD8128 [0,2,0,0,0,0|2,0,0]=4 892 B8R1.1 CC1=CN=C(CN)O1 P17743 [0,2,0,0,0,0|2,0,0]=4 893 B8R1.1 CC1=CSC(C=O)=C1 F10375 [0,2,0,0,0,0|2,0,0]=4 894 B8R1.1 CC1=CSC(CN)=C1 71583 [0,2,0,0,0,0|2,0,0]=4 895 B8R1.1 CC1=CSC(CO)=C1 30206 [0,2,0,0,0,0|2,0,0]=4 896 B8R1.1 CC1=NC=C(CCl)S1 W10368 [0,2,0,0,0,0|2,0,0]=4 897 B8R1.1 CC1=NC=C(CO)S1 W10514 [0,2,0,0,0,0|2,0,0]=4 898 B8R1.1 CC1=NNC(C=O)=C1 71136 [0,2,0,0,0,0|2,0,0]=4 899 B8R1.1 CC1=NNC(CN)=C1 AC1082 [0,2,0,0,0,0|2,0,0]=4 900 B8R1.1 CC1=NOC(CO)=C1 F52509 [0,2,0,0,0,0|2,0,0]=4 901 B8R1.1 CCC1=NC(C)=CN1 AC1597 [0,2,0,0,0,0|2,0,0]=4 902 B8R1.1 CCC1=NNC(N)=C1 50999 [0,2,0,0,0,0|2,0,0]=4 903 B8R1.1 CCN1C=C(Br)C=N1 86991 [0,2,0,0,0,0|1,0,0]=3 904 B8R1.1 CCN1C=C(N)C=N1 80697 [0,2,0,0,0,0|1,0,0]=3 905 B8R1.1 CCN1C=C(N)C=N1 A51019 [0,2,0,0,0,0|1,0,0]=3 906 B8R1.1 CCN1C=C[N+](C)=C1 A11510 [0,2,0,0,0,0|2,0,0]=4 907 B8R1.1 CCN1C=C[N+](C)=C1 AC1321 [0,2,0,0,0,0|2,0,0]=4 908 B8R1.1 CCN1C=C[N+](C)=C1 AC1322 [0,2,0,0,0,0|2,0,0]=4 909 B8R1.1 CCN1C=C[N+](C)=C1 AC1323 [0,2,0,0,0,0|2,0,0]=4 910 B8R1.1 CCN1C=C[N+](C)=C1 AC7797 [0,2,0,0,0,0|2,0,0]=4 911 B8R1.1 CCN1C=C[N+](C)=C1 C93466 [0,2,0,0,0,0|2,0,0]=4 912 B8R1.1 CCN1C=C[N+](C)=C1 D70792 [0,2,0,0,0,0|2,0,0]=4 913 B8R1.1 CCN1C=C[N+](C)=C1 D70998 [0,2,0,0,0,0|2,0,0]=4 914 B8R1.1 CCN1C=C[N+](C)=C1 D78163 [0,2,0,0,0,0|2,0,0]=4 915 B8R1.1 CCN1C=C[N+](C)=C1 D90575 [0,2,0,0,0,0|2,0,0]=4 916 B8R1.1 CCN1C=C[N+](C)=C1 D90612 [0,2,0,0,0,0|2,0,0]=4 917 B8R1.1 CCN1C=C[N+](C)=C1 D90613 [0,2,0,0,0,0|2,0,0]=4 918 B8R1.1 CCN1C=C[N+](C)=C1 E10137 [0,2,0,0,0,0|2,0,0]=4 919 B8R1.1 CCN1C=C[N+](C)=C1 E10138 [0,2,0,0,0,0|2,0,0]=4 920 B8R1.1 CCN1C=C[N+](C)=C1 H11269 [0,2,0,0,0,0|2,0,0]=4 921 B8R1.1 CCN1C=NC(Br)=C1 CS2253 [0,2,0,0,0,0|2,0,0]=4 922 B8R1.1 CC[N+]1=CN(C)C=C1 A10784 [0,2,0,0,0,0|2,0,0]=4 923 B8R1.1 CC[N+]1=CN(C)C=C1 D83002 [0,2,0,0,0,0|2,0,0]=4 924 B8R1.1 CN1C=C(C#N)C=N1 P10303 [0,2,0,0,0,0|0,0,1]=3 925 B8R1.1 CN1C=C(C=O)C=N1 81674 [0,2,0,0,0,0|0,0,1]=3 926 B8R1.1 CN1C=C(CBr)C=N1 P11671 [0,2,0,0,0,0|0,0,0]=2 927 B8R1.1 CN1C=C(CN)C=N1 26445 [0,2,0,0,0,0|0,0,0]=2 928 B8R1.1 CN1C=C(CN)C=N1 BL009313 [0,2,0,0,0,0|0,0,0]=2 929 B8R1.1 CN1C=C(CN)C=N1 P10826 [0,2,0,0,0,0|0,0,0]=2 930 B8R1.1 CN1C=C(CO)C=N1 81396 [0,2,0,0,0,0|0,0,0]=2 931 B8R1.1 CN1C=CC(CN)=N1 P10261 [0,2,0,0,0,0|2,0,0]=4 932 B8R1.1 CN1C=CC(CO)=N1 71763 [0,2,0,0,0,0|2,0,0]=4 933 B8R1.1 CN1C=NC(C=O)=C1 38399 [0,2,0,0,0,0|2,0,0]=4 934 B8R1.1 CN1C=NC(CCl)=C1 28134 [0,2,0,0,0,0|2,0,0]=4 935 B8R1.1 CN1C=NC(CN)=C1 P15771 [0,2,0,0,0,0|2,0,0]=4 936 B8R1.1 CN1C=NC(CO)=C1 83431 [0,2,0,0,0,0|2,0,0]=4 937 B8R1.1 COC1=CC(=O)NC1 C10650 [0,2,0,0,0,0|1,0,1]=4 938 B8R1.1 COC1=CC(N)=NN1 38045 [0,2,0,0,0,0|2,0,0]=4 939 B8R1.1 COC1=CC(N)=NO1 24049 [0,2,0,0,0,0|2,0,0]=4 940 B8R1.1 NC1=NC=C(CO)S1 F11503 [0,2,0,0,0,0|2,0,0]=4 941 B8R1.1 NCC1=CN=C(Cl)S1 23933 [0,2,0,0,0,0|2,0,0]=4 942 B8R1.1 NCC1=CN=C(Cl)S1 57398 [0,2,0,0,0,0|2,0,0]=4 943 B8R1.1 NCC1=CSC(Cl)=C1 37529 [0,2,0,0,0,0|2,0,0]=4 944 B8R1.1 O=CC1=CC(Br)=CN1 24720 [0,2,0,0,0,0|2,0,0]=4 945 B8R1.1 O=CC1=CC(I)=CN1 C74720 [0,2,0,0,0,0|2,0,0]=4 946 B8R1.1 OCC1=CN=C(Br)S1 24925 [0,2,0,0,0,0|2,0,0]=4 947 B8R1.1 OCC1=CN=C(Cl)S1 S12230 [0,2,0,0,0,0|2,0,0]=4 948 B8R1.7 CC(=O)C1=CCC=C1 TD8050 [0,2,0,0,0,0|2,0,0]=4 949 B8R1.7 CC(=O)C1=CNC=C1 30137 [0,2,0,0,0,0|1,0,0]=3 950 B8R1.7 CC(=O)C1=CNC=N1 50330 [0,2,0,0,0,0|2,0,0]=4 951 B8R1.7 CC(=O)C1=COC=C1 N12485 [0,2,0,0,0,0|2,0,0]=4 952 B8R1.7 CC(=O)C1=CSC=C1 50448 [0,2,0,0,0,0|2,0,0]=4 953 B8R1.7 CC(=O)C1=NNC=C1 36103 [0,2,0,0,0,0|2,0,0]=4 954 B8R1.7 CC(=O)C1=NNC=C1 D94907 [0,2,0,0,0,0|2,0,0]=4 955 B8R1.7 CC(=O)N1C=CN=C1 44451 [0,2,0,0,0,0|2,0,0]=4 956 B8R1.7 CC(C)=C1C=CC=C1 A10651 [0,2,0,0,0,0|2,0,0]=4 957 B8R1.7 CC(C)C1=NNC=C1 84161 [0,2,0,0,0,0|2,0,0]=4 958 B8R1.7 CC(C)N1C=CN=C1 28353 [0,2,0,0,0,0|2,0,0]=4 959 B8R1.7 C[C@H](N)C1=COC=C1 N12469 [0,2,0,0,0,0|2,0,0]=4 960 B8R1.7 C[C@H](O)C1=CCC=C1 F13266 [0,2,0,0,0,0|2,0,0]=4 961 B8R1.7 NC(=O)C1=CNN=C1 88190 [0,2,0,0,0,0|0,0,1]=3 962 B8R1.7 O=C(O)C1=CNC=C1 65414 [0,2,0,0,0,0|1,0,1]=4 963 B8R1.7 O=C(O)C1=CNN=C1 65412 [0,2,0,0,0,0|0,0,1]=3 964 B8R1.7 O=C(O)C1=CON=C1 25393 [0,2,0,0,0,0|1,0,1]=4 965 B8R1.7 O=[N+]([O-])C1=CNN=N1 29378 [0,2,0,0,0,0|2,0,0]=4 966 B8R1.7 OB(O)C1=CNN=C1 83165 [0,2,0,0,0,0|1,0,0]=3 967 B8R1.7 OB(O)C1=CON=C1 33949 [0,2,0,0,0,0|2,0,0]=4 968 B8R1.8 C=CCN1C=CN=C1 C93464 [0,2,0,0,0,0|2,0,0]=4 969 B8R1.8 CCCC1=CSC=C1 T71823 [0,2,0,0,0,0|2,0,0]=4 970 B8R1.8 CCCN1C=CN=C1 D70905 [0,2,0,0,0,0|2,0,0]=4 971 B8R1.8 CCSC1=NNN=N1 F15279 [0,2,0,0,0,0|2,0,0]=4 972 B8R1.8 CNCC1=CSC=C1 C73993 [0,2,0,0,0,0|2,0,0]=4 973 B8R1.8 COCN1C=CN=C1 36028 [0,2,0,0,0,0|2,0,0]=4 974 B8R1.8 ClCCN1C=CN=C1 D78072 [0,2,0,0,0,0|2,0,0]=4 975 B8R1.8 N#CCC1=CN=CN1 37557 [0,2,0,0,0,0|2,0,0]=4 976 B8R1.8 N#CCC1=CNC=N1 71077 [0,2,0,0,0,0|2,0,0]=4 977 B8R1.8 N#CCC1=CSC=C1 70757 [0,2,0,0,0,0|2,0,0]=4 978 B8R1.8 N#CCN1C=CN=C1 RB3041 [0,2,0,0,0,0|2,0,0]=4 979 B8R1.8 NCCC1=CN=CN1 73730 [0,2,0,0,0,0|2,0,0]=4 980 B8R1.8 NCCC1=CN=CN1 D90807 [0,2,0,0,0,0|2,0,0]=4 981 B8R1.8 NCCC1=CNC=N1 D97233 [0,2,0,0,0,0|2,0,0]=4 982 B8R1.8 NCCC1=CNC=N1 F10913 [0,2,0,0,0,0|2,0,0]=4 983 B8R1.8 NCCC1=CSC=C1 51624 [0,2,0,0,0,0|2,0,0]=4 984 B8R1.8 NCCN1C=CN=C1 AC7946 [0,2,0,0,0,0|2,0,0]=4 985 B8R1.8 NCCN1C=CN=C1 AR1130 [0,2,0,0,0,0|2,0,0]=4 986 B8R1.8 NCCN1C=CN=C1 FD13141 [0,2,0,0,0,0|2,0,0]=4 987 B8R1.8 OCCC1=CN=CN1 25474 [0,2,0,0,0,0|2,0,0]=4 988 B8R1.8 OCCC1=CN=CN1 C73445 [0,2,0,0,0,0|2,0,0]=4 989 B8R1.8 OCCC1=CNN=C1 CL3409 [0,2,0,0,0,0|0,0,0]=2 990 B8R1.8 OCCC1=CSC=C1 62948 [0,2,0,0,0,0|2,0,0]=4 991 B8R1.8 OCCC1=NNN=N1 C15103 [0,2,0,0,0,0|2,0,0]=4 992 B8R1.8 OCCN1C=CN=C1 74883 [0,2,0,0,0,0|2,0,0]=4 993 B8R1.11 BrCC1=C(Br)SC=C1 54458 [0,2,0,0,0,0|2,0,0]=4 994 B8R1.11 CC1=C(C#N)SC=C1 A51093 [0,2,0,0,0,0|2,0,0]=4 995 B8R1.11 CC1=C(C=O)NC=N1 79118 [0,2,0,0,0,0|2,0,0]=4 996 B8R1.11 CC1=C(C=O)SC=C1 75871 [0,2,0,0,0,0|2,0,0]=4 997 B8R1.11 CC1=C(CN)SC=N1 W10148 [0,2,0,0,0,0|2,0,0]=4 998 B8R1.11 CC1=C(CO)N=CN1 CK2461 [0,2,0,0,0,0|2,0,0]=4 999 B8R1.11 CC1=C(CO)N=CN1 W10531 [0,2,0,0,0,0|2,0,0]=4 1000 B8R1.11 CC1=C(CO)SC=C1 71542 [0,2,0,0,0,0|2,0,0]=4 1001 B8R1.11 CC1=C(CO)SN=N1 30313 [0,2,0,0,0,0|1,0,1]=4 1002 B8R1.11 CC1=NNC=C1C=O 24276 [0,2,0,0,0,0|0,0,1]=3 1003 B8R1.11 CC1=NON=C1CN 20188 [0,2,0,0,0,0|2,0,0]=4 1004 B8R1.11 CCC1=CNN=C1N 82129 [0,2,0,0,0,0|0,0,0]=2 1005 B8R1.11 CCN1C=CN=C1Cl 24215 [0,2,0,0,0,0|2,0,0]=4 1006 B8R1.11 CCN1C=NN=C1S 71152 [0,2,0,0,0,0|1,0,1]=4 1007 B8R1.11 CN1C=CN=C1C=O 33108 [0,2,0,0,0,0|2,0,0]=4 1008 B8R1.11 CN1C=CN=C1CCl 83186 [0,2,0,0,0,0|2,0,0]=4 1009 B8R1.11 CN1C=CN=C1CCl F17325 [0,2,0,0,0,0|2,0,0]=4 1010 B8R1.11 CN1C=CN=C1CN 29381 [0,2,0,0,0,0|2,0,0]=4 1011 B8R1.11 CN1C=CN=C1CO CL2202 [0,2,0,0,0,0|2,0,0]=4 1012 B8R1.11 CN1C=NC=C1C#N 38401 [0,2,0,0,0,0|2,0,0]=4 1013 B8R1.11 CN1C=NC=C1C=O 59378 [0,2,0,0,0,0|2,0,0]=4 1014 B8R1.11 CN1C=NC=C1CN 28542 [0,2,0,0,0,0|2,0,0]=4 1015 B8R1.11 CN1C=NC=C1CO 59376 [0,2,0,0,0,0|2,0,0]=4 1016 B8R1.11 CN1C=NN=C1CO 25600 [0,2,0,0,0,0|1,0,1]=4 1017 B8R1.11 CN1N=CC=C1CCl P10739 [0,2,0,0,0,0|2,0,0]=4 1018 B8R1.11 CN1N=CC=C1CN 30307 [0,2,0,0,0,0|2,0,0]=4 1019 B8R1.11 CN1N=CC=C1CN 72161 [0,2,0,0,0,0|2,0,0]=4 1020 B8R1.11 CN1N=CC=C1CO 30308 [0,2,0,0,0,0|2,0,0]=4 1021 B8R1.11 COC1=CC=NN1C D82675 [0,2,0,0,0,0|2,0,0]=4 1022 B8R1.11 CSC1=C(C)OC=C1 H11351 [0,2,0,0,0,0|2,0,0]=4 1023 B8R1.11 CSC1=NC=CN1C SC5098 [0,2,0,0,0,0|2,0,0]=4 1024 B8R1.11 N#CC1=C(Br)C=NN1 70770 [0,2,0,0,0,0|1,0,0]=3 1025 B8R1.11 N#CC1=C(Cl)C=NN1 38010 [0,2,0,0,0,0|1,0,0]=3 1026 B8R1.11 N#CC1=C(I)C=NN1 Y10381 [0,2,0,0,0,0|1,0,0]=3 1027 B8R1.11 N#CC1=CNN=C1N 52091 [0,2,0,0,0,0|0,0,1]=3 1028 B8R1.11 N#CC1=CON=C1N D93405 [0,2,0,0,0,0|1,0,1]=4 1029 B8R1.11 N#CC1=NNC=C1Br 24285 [0,2,0,0,0,0|1,0,0]=3 1030 B8R1.11 OCC1=C(Br)SC=C1 54783 [0,2,0,0,0,0|2,0,0]=4 1031 B8R1.18 CC1=C(Br)NC(Br)=N1 24091 [0,2,0,0,0,0|2,0,0]=4 1032 B8R1.18 CC1=C(Br)SC(Br)=C1 75355 [0,2,0,0,0,0|2,0,0]=4 1033 B8R1.18 CC1=C(C)SC(Br)=N1 25925 [0,2,0,0,0,0|2,0,0]=4 1034 B8R1.18 CC1=C(C)SC(N)=N1 35259 [0,2,0,0,0,0|2,0,0]=4 1035 B8R1.18 CC1=C(C)SC(N)=N1 71211 [0,2,0,0,0,0|2,0,0]=4 1036 B8R1.18 CC1=C(C)SC(N)=N1 D88503 [0,2,0,0,0,0|2,0,0]=4 1037 B8R1.18 CC1=C(C)SC(S)=N1 78634 [0,2,0,0,0,0|2,0,0]=4 1038 B8R1.18 CC1=C(Cl)SC(Cl)=C1 33093 [0,2,0,0,0,0|2,0,0]=4 1039 B8R1.18 CC1=CC(=O)NC1=O W17771 [0,2,0,0,0,0|1,0,0]=3 1040 B8R1.18 CC1=CC(=O)OC1=O 43889 [0,2,0,0,0,0|2,0,0]=4 1041 B8R1.18 CC1=CC(Br)=NN1C TD8130 [0,2,0,0,0,0|2,0,0]=4 1042 B8R1.18 CC1=CC(C)=NN1C 28977 [0,2,0,0,0,0|2,0,0]=4 1043 B8R1.18 CC1=CC(N)=NN1C TD8131 [0,2,0,0,0,0|2,0,0]=4 1044 B8R1.18 CC1=NC(Br)=CN1C 71592 [0,2,0,0,0,0|2,0,0]=4 1045 B8R1.18 CC1=NC(C)=C(C)O1 78979 [0,2,0,0,0,0|2,0,0]=4 1046 B8R1.18 CC1=NC(C)=C(C)S1 D92445 [0,2,0,0,0,0|2,0,0]=4 1047 B8R1.18 CC1=NN(C)C(Br)=C1 38096 [0,2,0,0,0,0|2,0,0]=4 1048 B8R1.18 CC1=NN(C)C(Cl)=C1 57533 [0,2,0,0,0,0|2,0,0]=4 1049 B8R1.18 CC1=NN(C)C(N)=C1 29232 [0,2,0,0,0,0|2,0,0]=4 1050 B8R1.18 CC1=NN(C)C(O)=C1 60058 [0,2,0,0,0,0|2,0,0]=4 1051 B8R1.18 CC1=NN(C)C=C1Br 71270 [0,2,0,0,0,0|1,0,0]=3 1052 B8R1.18 CC1=NN(C)C=C1N BL008602 [0,2,0,0,0,0|1,0,0]=3 1053 B8R1.18 CC1=NN(C)C=C1N W10154 [0,2,0,0,0,0|1,0,0]=3 1054 B8R1.18 CN1C=C(Br)C(N)=N1 83241 [0,2,0,0,0,0|1,0,0]=3 1055 B8R1.18 CN1C=C(Br)N=C1Br P10390 [0,2,0,0,0,0|2,0,0]=4 1056 B8R1.18 CN1N=C(Br)C(Br)=N1 95939 [0,2,0,0,0,0|2,0,0]=4 1057 B8R1.18 O=C1C=C(Br)C(=O)N1 AC8268 [0,2,0,0,0,0|2,0,0]=4 1058 B8R1.50 BrC1=NNC(Br)=C1Br 23299 [0,2,0,0,0,0|1,0,0]=3 1059 B8R1.50 CC1=C(Br)C(N)=NN1 71436 [0,2,0,0,0,0|1,0,0]=3 1060 B8R1.50 CC1=C(Br)C(N)=NN1 D95541 [0,2,0,0,0,0|1,0,0]=3 1061 B8R1.50 CC1=C(Br)C(N)=NO1 75738 [0,2,0,0,0,0|2,0,0]=4 1062 B8R1.50 CC1=C(Br)C=NN1C 71892 [0,2,0,0,0,0|1,0,0]=3 1063 B8R1.50 CC1=C(C)C(N)=NN1 50819 [0,2,0,0,0,0|0,0,0]=2 1064 B8R1.50 CC1=C(C)C(N)=NN1 52349 [0,2,0,0,0,0|0,0,0]=2 1065 B8R1.50 CC1=C(C)C(N)=NO1 34226 [0,2,0,0,0,0|1,0,0]=3 1066 B8R1.50 CC1=C(I)C=NN1C W10503 [0,2,0,0,0,0|1,0,0]=3 1067 B8R1.50 CC1=C(N)C=NN1C 71383 [0,2,0,0,0,0|1,0,0]=3 1068 B8R1.50 CC1=C(N)C=NN1C D70619 [0,2,0,0,0,0|1,0,0]=3 1069 B8R1.50 CC1=C(N)N(C)C=N1 31869 [0,2,0,0,0,0|2,0,0]=4 1070 B8R1.50 CC1=C(O)COC1=O 71338 [0,2,0,0,0,0|2,0,0]=4 1071 B8R1.50 CC1=NC=C(Br)N1C 71594 [0,2,0,0,0,0|2,0,0]=4 1072 B8R1.50 CC1=NNC(C)=C1Br F11233 [0,2,0,0,0,0|1,0,0]=3 1073 B8R1.50 CC1=NNC(C)=C1Cl F16198 [0,2,0,0,0,0|1,0,0]=3 1074 B8R1.50 CC1=NNC(C)=C1I 62782 [0,2,0,0,0,0|1,0,0]=3 1075 B8R1.50 CC1=NNC(C)=C1O W17399 [0,2,0,0,0,0|1,0,0]=3 1076 B8R1.50 CC1=NOC(C)=C1Br 37341 [0,2,0,0,0,0|2,0,0]=4 1077 B8R1.50 CC1=NOC(C)=C1I 28076 [0,2,0,0,0,0|2,0,0]=4 1078 B8R1.50 CC1=NOC(C)=C1N 51948 [0,2,0,0,0,0|2,0,0]=4 1079 B8R1.50 CC1=NOC(N)=C1C 66218 [0,2,0,0,0,0|1,0,0]=3 1080 B8R1.50 CC1=NSC(Br)=C1Br D81460 [0,2,0,0,0,0|2,0,0]=4 1081 B8R1.50 CN1C(=O)CNC1=O 72332 [0,2,0,0,0,0|2,0,0]=4 1082 B8R1.50 CN1C(Br)=CN=C1Br RB3001 [0,2,0,0,0,0|2,0,0]=4 1083 B8R1.50 CN1C(I)=CN=C1I L10012 [0,2,0,0,0,0|2,0,0]=4 1084 B8R1.50 CN1C=NC(Br)=C1Br 71261 [0,2,0,0,0,0|2,0,0]=4 1085 B8R1.50 CN1N=CC(Br)=C1N BL009251 [0,2,0,0,0,0|1,0,0]=3 1086 B8R1.50 CN1N=NC(Br)=C1Br 71226 [0,2,0,0,0,0|2,0,0]=4 1087 B6R1.1 C1=CC=NC=C1 AC7849 [0,0,1,1,0,0|1,0,1]=4 1088 B6R1.1 C1=CC=NC=C1 D77817 [0,0,1,1,0,0|1,0,1]=4 1089 B6R1.1 C1=CC=NC=C1 D78009 [0,0,1,1,0,0|1,0,1]=4 1090 B6R1.1 C1=CC=NC=C1 F16605 [0,0,1,1,0,0|1,0,1]=4 1091 B6R1.1 C1=CC=NC=C1 S12334 [0,0,1,1,0,0|1,0,1]=4 1092 B6R1.1 C1=CCNCC1 37471 [0,0,1,1,0,0|1,0,1]=4 1093 B6R1.1 C1=CCNCC1 AB7774 [0,0,1,1,0,0|1,0,1]=4 1094 B6R1.1 C1=CN=CN=C1 H10864 [0,0,1,1,0,0|2,0,0]=4 1095 B6R1.1 C1=CN=NC=C1 F14906 [0,0,1,1,0,0|0,0,2]=4 1096 B4R1.2 [Cl][Pt+]1C=C1 D81881 [0,0,0,0,2,0|2,0,0]=4