0 B6R1.1 C1=CC=CC=C1 78158 [0,0,0,0,0,0|0,0,0]=0 1 B6R1.1 C1=CC=NC=C1 T72767 [0,0,0,0,0,0|1,0,0]=1 2 B6R1.1 C1=CN=NC=C1 C75894 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 BrC1=CN=NC=C1 85151 [0,1,0,0,0,0|2,0,0]=3 4 B7R1.3 BrC1=CN=NN=C1 74040 [0,1,0,0,0,0|3,0,0]=4 5 B7R1.3 BrC1=NC=NC=C1 54642 [0,1,0,0,0,0|2,0,0]=3 6 B7R1.3 BrC1=NC=NC=C1 54644 [0,1,0,0,0,0|2,0,0]=3 7 B7R1.3 CC1=NC=CN=N1 C74235 [0,1,0,0,0,0|3,0,0]=4 8 B7R1.3 ClC1=CN=CC=C1 P19758 [0,1,0,0,0,0|1,0,0]=2 9 B7R1.3 ClC1=NN=CC=C1 57588 [0,1,0,0,0,0|2,0,0]=3 10 B7R1.3 NC1=CC=CC=C1 T70935 [0,1,0,0,0,0|0,0,0]=1 11 B7R1.3 NC1=CC=CC=C1 T71037 [0,1,0,0,0,0|0,0,0]=1 12 B7R1.3 O=C1C=CCCN1 88830 [0,1,0,0,0,0|1,0,2]=4 13 B7R1.3 O=C1C=CCOC1 O10790 [0,1,0,0,0,0|1,0,2]=4 14 B7R1.3 O=C1C=CNN=C1 D87946 [0,1,0,0,0,0|2,0,0]=3 15 B7R1.3 SC1=NC=CN=C1 F16108 [0,1,0,0,0,0|2,0,0]=3 16 B7R1.3 [O-][N+]1=CC=NC=C1 O12055 [0,1,0,0,0,0|2,0,0]=3 17 B5R1.1 C1=CCSC1 F20684 [0,0,0,0,1,0|1,0,2]=4 18 B5R1.1 C1=C[Se]C=C1 A12389 [0,0,0,0,1,0|1,0,0]=2 19 B4R0.2 C=C\C=C/C T71862 [1,0,1,0,0,0|0,0,1]=3 20 B4R0.2 N\C=C\C=O W10858 [1,0,1,0,0,0|2,0,0]=4 21 B6R1.2 BrC1=NC=CO1 N12756 [0,1,0,0,1,0|2,0,0]=4 22 B6R1.2 BrC1=NSC=C1 27111 [0,1,0,0,1,0|2,0,0]=4 23 B6R1.2 CC1=CC=CN1 23756 [0,1,0,0,1,0|1,0,0]=3 24 B6R1.2 CC1=CNC=C1 59365 [0,1,0,0,1,0|1,0,0]=3 25 B6R1.2 CC1=CNN=C1 AT22811 [0,1,0,0,1,0|2,0,0]=4 26 B6R1.2 CC1=COC=C1 W18310 [0,1,0,0,1,0|1,0,0]=3 27 B6R1.2 CC1=NOC=C1 35767 [0,1,0,0,1,0|2,0,0]=4 28 B6R1.2 ClC1=NC=CN1 71370 [0,1,0,0,1,0|2,0,0]=4 29 B6R1.2 FC1=CC=NN1 P13416 [0,1,0,0,1,0|2,0,0]=4 30 B6R1.2 FC1=CN=CN1 71921 [0,1,0,0,1,0|2,0,0]=4 31 B6R1.2 FC1=CNN=C1 89373 [0,1,0,0,1,0|2,0,0]=4 32 B6R1.2 IC1=NC=CO1 38371 [0,1,0,0,1,0|2,0,0]=4 33 B6R1.2 NC1=CC=NO1 AB9529 [0,1,0,0,1,0|2,0,0]=4 34 B6R1.2 NC1=CC=NS1 S11666 [0,1,0,0,1,0|2,0,0]=4 35 B6R1.2 NC1=CN=CS1 52083 [0,1,0,0,1,0|2,0,0]=4 36 B6R1.2 NC1=CNC=C1 D82737 [0,1,0,0,1,0|1,0,0]=3 37 B6R1.2 NC1=CNC=N1 21115 [0,1,0,0,1,0|2,0,0]=4 38 B6R1.2 NC1=CNC=N1 52247 [0,1,0,0,1,0|2,0,0]=4 39 B6R1.2 NC1=CON=C1 F14139 [0,1,0,0,1,0|2,0,0]=4 40 B6R1.2 NC1=CSC=C1 D77326 [0,1,0,0,1,0|1,0,0]=3 41 B6R1.2 NC1=CSN=C1 83206 [0,1,0,0,1,0|2,0,0]=4 42 B6R1.2 NC1=CSN=C1 85313 [0,1,0,0,1,0|2,0,0]=4 43 B6R1.2 NN1C=CN=C1 C76661 [0,1,0,0,1,0|2,0,0]=4 44 B6R1.2 NN1C=CN=C1 Y10352 [0,1,0,0,1,0|2,0,0]=4 45 B6R1.2 O=C1C=CCN1 AC1277 [0,1,0,0,1,0|1,0,1]=4 46 B6R1.2 OC1=CNN=C1 76131 [0,1,0,0,1,0|2,0,0]=4 47 B6R1.2 OC1=NC=CS1 25638 [0,1,0,0,1,0|2,0,0]=4 48 B6R1.2 OC1=NOC=C1 W15437 [0,1,0,0,1,0|2,0,0]=4 49 B6R1.2 SC1=CC=CS1 23061 [0,1,0,0,1,0|1,0,0]=3 50 B6R1.2 SC1=CSC=C1 79297 [0,1,0,0,1,0|1,0,0]=3 51 B8R1.2 BrCC1=CN=CN=C1 O11299 [0,2,0,0,0,0|2,0,0]=4 52 B8R1.2 BrCC1=NC=CN=C1 31757 [0,2,0,0,0,0|2,0,0]=4 53 B8R1.2 BrCC1=NC=NC=C1 Y10744 [0,2,0,0,0,0|2,0,0]=4 54 B8R1.2 BrCC1=NN=CC=C1 27114 [0,2,0,0,0,0|2,0,0]=4 55 B8R1.2 C#CC1=CN=CN=C1 25642 [0,2,0,0,0,0|2,0,0]=4 56 B8R1.2 C#CC1=NC=CN=C1 P11646 [0,2,0,0,0,0|2,0,0]=4 57 B8R1.2 CCC1=NC=NC=C1 F17281 [0,2,0,0,0,0|2,0,0]=4 58 B8R1.2 CNC1=CN=CN=C1 Y10181 [0,2,0,0,0,0|2,0,0]=4 59 B8R1.2 CNC1=CN=NC=C1 A10648 [0,2,0,0,0,0|2,0,0]=4 60 B8R1.2 CNC1=NC=NC=C1 W10133 [0,2,0,0,0,0|2,0,0]=4 61 B8R1.2 COC1=NC=NC=C1 T72699 [0,2,0,0,0,0|2,0,0]=4 62 B8R1.2 ClCC1=NC=CN=C1 37060 [0,2,0,0,0,0|2,0,0]=4 63 B8R1.2 ClCC1=NN=CC=C1 37063 [0,2,0,0,0,0|2,0,0]=4 64 B8R1.2 N#CC1=CN=NC=C1 37055 [0,2,0,0,0,0|2,0,0]=4 65 B8R1.2 N#CC1=NC=CC=C1 D77869 [0,2,0,0,0,0|1,0,0]=3 66 B8R1.2 N#CC1=NN=CC=C1 82702 [0,2,0,0,0,0|2,0,0]=4 67 B8R1.2 NCC1=CC=CC=C1 RB3068 [0,2,0,0,0,0|0,0,0]=2 68 B8R1.2 NCC1=CC=CN=N1 36976 [0,2,0,0,0,0|2,0,0]=4 69 B8R1.2 NCC1=CC=CN=N1 AT13034 [0,2,0,0,0,0|2,0,0]=4 70 B8R1.2 NCC1=CC=CN=N1 P15536 [0,2,0,0,0,0|2,0,0]=4 71 B8R1.2 NCC1=CC=NC=C1 35876 [0,2,0,0,0,0|1,0,0]=3 72 B8R1.2 NCC1=CN=CN=C1 26963 [0,2,0,0,0,0|2,0,0]=4 73 B8R1.2 NCC1=CN=NC=C1 27223 [0,2,0,0,0,0|2,0,0]=4 74 B8R1.2 NCC1=CN=NC=C1 36975 [0,2,0,0,0,0|2,0,0]=4 75 B8R1.2 NCC1=NC=CN=C1 67569 [0,2,0,0,0,0|2,0,0]=4 76 B8R1.2 NNC1=CC=CN=C1 S12141 [0,2,0,0,0,0|1,0,0]=3 77 B8R1.2 NNC1=CN=CN=C1 AT18412 [0,2,0,0,0,0|2,0,0]=4 78 B8R1.2 NNC1=NC=NC=C1 N12626 [0,2,0,0,0,0|2,0,0]=4 79 B8R1.2 O=CC1=NC=NC=C1 26359 [0,2,0,0,0,0|2,0,0]=4 80 B8R1.2 OCC1=CN=NC=C1 37054 [0,2,0,0,0,0|2,0,0]=4 81 B8R1.2 SCC1=CC=NC=C1 F18336 [0,2,0,0,0,0|1,0,0]=3 82 B8R1.2 SCC1=CN=CC=C1 F18343 [0,2,0,0,0,0|1,0,0]=3 83 B8R1.2 SCC1=NC=CC=C1 Y10072 [0,2,0,0,0,0|1,0,0]=3 84 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [0,2,0,0,0,0|0,0,0]=2 85 B8R1.3 BrC1=NC=C(I)C=N1 55463 [0,2,0,0,0,0|2,0,0]=4 86 B8R1.3 CC1=CC=C(C)N=N1 S11370 [0,2,0,0,0,0|2,0,0]=4 87 B8R1.3 CC1=CN=C(Br)C=N1 88781 [0,2,0,0,0,0|2,0,0]=4 88 B8R1.3 CC1=CN=C(F)N=C1 F11686 [0,2,0,0,0,0|2,0,0]=4 89 B8R1.3 CC1=CN=C(I)C=N1 W17940 [0,2,0,0,0,0|2,0,0]=4 90 B8R1.3 CC1=CN=C(N)C=N1 52044 [0,2,0,0,0,0|2,0,0]=4 91 B8R1.3 CC1=CN=C(N)N=C1 51196 [0,2,0,0,0,0|2,0,0]=4 92 B8R1.3 CC1=CN=C(O)C=N1 84954 [0,2,0,0,0,0|2,0,0]=4 93 B8R1.3 CC1=NC=C(F)C=N1 O11437 [0,2,0,0,0,0|2,0,0]=4 94 B8R1.3 CC1=NC=C(I)C=C1 C10582 [0,2,0,0,0,0|1,0,0]=3 95 B8R1.3 CC1=NC=C(O)C=N1 25911 [0,2,0,0,0,0|2,0,0]=4 96 B8R1.3 FC1=CN=C(Br)C=N1 Y10496 [0,2,0,0,0,0|2,0,0]=4 97 B8R1.3 FC1=NC=C(I)C=N1 O10782 [0,2,0,0,0,0|2,0,0]=4 98 B8R1.3 FC1=NN=C(Br)C=C1 C72413 [0,2,0,0,0,0|2,0,0]=4 99 B8R1.3 IC1=CN=C(I)C=N1 I11480 [0,2,0,0,0,0|2,0,0]=4 100 B8R1.3 NC1=CC=C(O)C=C1 C75965 [0,2,0,0,0,0|0,0,0]=2 101 B8R1.3 NC1=CN=C(Br)N=C1 26764 [0,2,0,0,0,0|2,0,0]=4 102 B8R1.3 NC1=CN=C(I)N=C1 P19402 [0,2,0,0,0,0|2,0,0]=4 103 B8R1.3 NC1=CN=C(N)C=N1 C14950 [0,2,0,0,0,0|2,0,0]=4 104 B8R1.3 NC1=CN=C(N)C=N1 F20076 [0,2,0,0,0,0|2,0,0]=4 105 B8R1.3 NC1=NC=C(O)C=C1 BL008086 [0,2,0,0,0,0|1,0,0]=3 106 B8R1.3 NC1=NC=C(O)C=N1 24754 [0,2,0,0,0,0|2,0,0]=4 107 B8R1.3 NC1=NN=C(F)C=C1 C71319 [0,2,0,0,0,0|2,0,0]=4 108 B8R1.3 NC1=NNC(=O)C=C1 A11691 [0,2,0,0,0,0|2,0,0]=4 109 B8R1.3 OC1=NC=C(F)C=N1 61070 [0,2,0,0,0,0|2,0,0]=4 110 B8R1.3 SC1=CC=C(I)C=C1 F20637 [0,2,0,0,0,0|0,0,0]=2 111 B8R1.3 [O-][N+]1=CC=C(F)C=C1 38173 [0,2,0,0,0,0|1,0,0]=3 112 B8R1.4 BrC1=CC(Br)=NN=C1 26403 [0,2,0,0,0,0|2,0,0]=4 113 B8R1.4 BrC1=NC=CC(I)=N1 81854 [0,2,0,0,0,0|2,0,0]=4 114 B8R1.4 CC1=CC(=S)NC=C1 I11274 [0,2,0,0,0,0|1,0,0]=3 115 B8R1.4 CC1=CC(=S)NC=N1 C75430 [0,2,0,0,0,0|2,0,0]=4 116 B8R1.4 CC1=CC=CC(I)=N1 S10876 [0,2,0,0,0,0|1,0,0]=3 117 B8R1.4 CC1=NC=CC(I)=C1 25628 [0,2,0,0,0,0|1,0,0]=3 118 B8R1.4 CC1=NC=CC(N)=N1 25050 [0,2,0,0,0,0|2,0,0]=4 119 B8R1.4 ClC1=CC(Br)=CN=N1 P15413 [0,2,0,0,0,0|2,0,0]=4 120 B8R1.4 ClC1=CC(I)=CN=C1 C76473 [0,2,0,0,0,0|1,0,0]=3 121 B8R1.4 ClC1=CC(I)=NC=C1 O11208 [0,2,0,0,0,0|1,0,0]=3 122 B8R1.4 ClC1=CN=CC(I)=N1 N11783 [0,2,0,0,0,0|2,0,0]=4 123 B8R1.4 ClC1=NC=CC(I)=N1 F50757 [0,2,0,0,0,0|2,0,0]=4 124 B8R1.4 FC1=CN=CC(Br)=N1 D82262 [0,2,0,0,0,0|2,0,0]=4 125 B8R1.4 IC1=CC(I)=NC=N1 N10410 [0,2,0,0,0,0|2,0,0]=4 126 B8R1.4 IC1=CN=CC(I)=C1 83196 [0,2,0,0,0,0|1,0,0]=3 127 B8R1.4 NC1=CC(Cl)=NN=C1 26681 [0,2,0,0,0,0|2,0,0]=4 128 B8R1.4 NC1=CC(I)=NC=N1 27194 [0,2,0,0,0,0|2,0,0]=4 129 B8R1.4 NC1=CC(N)=NC=C1 25421 [0,2,0,0,0,0|1,0,0]=3 130 B8R1.4 NC1=CC(O)=CN=C1 24928 [0,2,0,0,0,0|1,0,0]=3 131 B8R1.4 NC1=CC(O)=CN=C1 26279 [0,2,0,0,0,0|1,0,0]=3 132 B8R1.4 NC1=CC=CC(I)=N1 76368 [0,2,0,0,0,0|1,0,0]=3 133 B8R1.4 NC1=CC=NC(F)=N1 90479 [0,2,0,0,0,0|2,0,0]=4 134 B8R1.4 NC1=CN=CC(N)=C1 26714 [0,2,0,0,0,0|1,0,0]=3 135 B8R1.4 NC1=CN=CC(N)=N1 30602 [0,2,0,0,0,0|2,0,0]=4 136 B8R1.4 O=C1C=C(Br)NC=N1 F10443 [0,2,0,0,0,0|2,0,0]=4 137 B8R1.4 O=C1N=C(Br)C=CN1 D96558 [0,2,0,0,0,0|2,0,0]=4 138 B8R1.4 OC1=CC(F)=NC=C1 26765 [0,2,0,0,0,0|1,0,0]=3 139 B8R1.4 OC1=CC=NC(Cl)=N1 29860 [0,2,0,0,0,0|2,0,0]=4 140 B8R1.4 OC1=CN=CC(Br)=N1 P20532 [0,2,0,0,0,0|2,0,0]=4 141 B8R1.4 OC1=NC=CC(Cl)=N1 78049 [0,2,0,0,0,0|2,0,0]=4 142 B8R1.4 OC1=NC=CC(F)=C1 22624 [0,2,0,0,0,0|1,0,0]=3 143 B8R1.4 SC1=CC(Br)=CN=C1 AT25650 [0,2,0,0,0,0|1,0,0]=3 144 B8R1.5 BrC1=C(I)C=NC=C1 C76998 [0,2,0,0,0,0|1,0,0]=3 145 B8R1.5 CC1=C(Cl)C=NC=N1 F17326 [0,2,0,0,0,0|2,0,0]=4 146 B8R1.5 CC1=C(F)C=CN=C1 F19730 [0,2,0,0,0,0|1,0,0]=3 147 B8R1.5 CC1=C(I)C=CC=N1 F19761 [0,2,0,0,0,0|1,0,0]=3 148 B8R1.5 CC1=C(I)C=NC=C1 C74973 [0,2,0,0,0,0|1,0,0]=3 149 B8R1.5 CC1=C(I)C=NC=N1 27820 [0,2,0,0,0,0|2,0,0]=4 150 B8R1.5 CC1=CC=NN=C1Br N13316 [0,2,0,0,0,0|2,0,0]=4 151 B8R1.5 CC1=CC=NN=C1Cl 38744 [0,2,0,0,0,0|2,0,0]=4 152 B8R1.5 CC1=CN=CN=C1Br 27819 [0,2,0,0,0,0|2,0,0]=4 153 B8R1.5 CC1=CN=CN=C1O 25833 [0,2,0,0,0,0|2,0,0]=4 154 B8R1.5 CC1=NC=CN=C1Br 26975 [0,2,0,0,0,0|2,0,0]=4 155 B8R1.5 CC1=NC=NC=C1N 25415 [0,2,0,0,0,0|2,0,0]=4 156 B8R1.5 ClC1=CC=CN=C1I 68801 [0,2,0,0,0,0|1,0,0]=3 157 B8R1.5 ClC1=CC=NN=C1Cl 27407 [0,2,0,0,0,0|2,0,0]=4 158 B8R1.5 ClC1=CN=CN=C1Cl 25142 [0,2,0,0,0,0|2,0,0]=4 159 B8R1.5 ClC1=NC=CN=C1Br C71707 [0,2,0,0,0,0|2,0,0]=4 160 B8R1.5 ClC1=NC=CN=C1I AC1564 [0,2,0,0,0,0|2,0,0]=4 161 B8R1.5 FC1=CN=CN=C1Br 77431 [0,2,0,0,0,0|2,0,0]=4 162 B8R1.5 FC1=NC=CN=C1Br W17938 [0,2,0,0,0,0|2,0,0]=4 163 B8R1.5 NC1=C(Br)C=NN=C1 FD10591 [0,2,0,0,0,0|2,0,0]=4 164 B8R1.5 NC1=C(Cl)C=NC=N1 26794 [0,2,0,0,0,0|2,0,0]=4 165 B8R1.5 NC1=C(Cl)C=NN=C1 P11076 [0,2,0,0,0,0|2,0,0]=4 166 B8R1.5 NC1=C(O)C=CN=N1 D83804 [0,2,0,0,0,0|2,0,0]=4 167 B8R1.5 NC1=C(S)C=CN=C1 AT18151 [0,2,0,0,0,0|1,0,0]=3 168 B8R1.5 NC1=CC=CN=C1I RB1070 [0,2,0,0,0,0|1,0,0]=3 169 B8R1.5 NC1=CC=NN=C1Cl 27714 [0,2,0,0,0,0|2,0,0]=4 170 B8R1.5 NC1=CN=CN=C1I C10176 [0,2,0,0,0,0|2,0,0]=4 171 B8R1.5 NC1=CN=CN=C1N 65496 [0,2,0,0,0,0|2,0,0]=4 172 B8R1.5 NC1=CN=NC=C1N F10831 [0,2,0,0,0,0|2,0,0]=4 173 B8R1.5 NC1=NC=CN=C1Br 27472 [0,2,0,0,0,0|2,0,0]=4 174 B8R1.5 NC1=NC=CN=C1I 27241 [0,2,0,0,0,0|2,0,0]=4 175 B8R1.5 NC1=[N+]([O-])C=CC=C1 T70263 [0,2,0,0,0,0|1,0,0]=3 176 B8R1.5 O=C1NC=CNC1=O W18441 [0,2,0,0,0,0|2,0,0]=4 177 B8R1.5 O=C1NC=NC=C1O 25860 [0,2,0,0,0,0|2,0,0]=4 178 B8R1.5 O=C1NC=NC=C1O C73082 [0,2,0,0,0,0|2,0,0]=4 179 B8R1.5 OC1=C(Cl)C=NN=C1 F10592 [0,2,0,0,0,0|2,0,0]=4 180 B8R1.5 OC1=C(I)C=CC=N1 CS1389 [0,2,0,0,0,0|1,0,0]=3 181 B8R1.5 OC1=C(I)C=CN=C1 25190 [0,2,0,0,0,0|1,0,0]=3 182 B8R1.5 OC1=C(I)C=NC=N1 25919 [0,2,0,0,0,0|2,0,0]=4 183 B8R1.5 OC1=C(O)C=NC=C1 C14003 [0,2,0,0,0,0|1,0,0]=3 184 B8R1.5 OC1=NC=CN=C1Br A11981 [0,2,0,0,0,0|2,0,0]=4 185 B8R1.5 OC1=NC=CN=C1O C74124 [0,2,0,0,0,0|2,0,0]=4 186 B8R1.5 SC1=C(Br)C=NC=C1 C12894 [0,2,0,0,0,0|1,0,0]=3 187 B8R1.49 C1=CCCC=CCC1 A11943 [0,0,0,0,0,2|0,0,2]=4 188 B8R1.49 C1=CCCC=CCC1 C10709 [0,0,0,0,0,2|0,0,2]=4 189 B8R1.49 C1=CCCC=CCC1 D94664 [0,0,0,0,0,2|0,0,2]=4 190 B8R1.49 C1=CCCC=CCC1 F16608 [0,0,0,0,0,2|0,0,2]=4 191 B8R1.49 C1=CCCC=CCC1 F16639 [0,0,0,0,0,2|0,0,2]=4 192 B8R1.49 C1=CCCC=CCC1 H10532 [0,0,0,0,0,2|0,0,2]=4 193 B8R1.49 C1=CCCC=CCC1 O11699 [0,0,0,0,0,2|0,0,2]=4 194 B8R1.49 C1=CCCC=CCC1 S12179 [0,0,0,0,0,2|0,0,2]=4 195 B8R1.49 C1=CCCC=CCC1 T72889 [0,0,0,0,0,2|0,0,2]=4