0 B8R1.2 BrCC1=CN=CN=C1 1987AB [0,0,0,0,0,0|3,0,0]=3 1 B8R1.2 BrCC1=NC=NC=C1 6571AA [0,0,0,0,0,0|3,0,0]=3 2 B8R1.2 BrCC1=NC=NC=C1 7791AB [0,0,0,0,0,0|3,0,0]=3 3 B8R1.2 BrCC1=NN=CC=C1 X0198 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.2 ClCC1=CC=CC=N1 V2306 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.2 ClCC1=NC=CN=C1 Y8973 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.2 ClCC1=NC=NC=C1 7792AB [0,0,0,0,0,0|3,0,0]=3 7 B8R1.2 ClCC1=NN=CC=C1 5659AB [0,0,0,0,0,0|3,0,0]=3 8 B8R1.2 NCC1=CN=CN=C1 W4845 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 NCC1=NC=CC=N1 4855AH [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 NCC1=NC=CN=C1 9838AJ [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 NNC1=CC=CN=C1 Z1664 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.2 O=CC1=CC=NC=N1 W4791 [0,0,0,0,0,0|2,0,2]=4 13 B8R1.2 OCC1=CC=NC=C1 D932 [0,0,0,0,0,0|1,0,0]=1 14 B8R1.2 OCC1=NC=CC=C1 D931 [0,0,0,0,0,0|1,0,0]=1 15 B7R1.3 ClC1=NC=CC=N1 2179AC [1,0,0,0,0,0|3,0,0]=4 16 B7R1.3 IC1=CC=NN=C1 Z2883 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.3 IC1=NC=NC=C1 9969AD [1,0,0,0,0,0|3,0,0]=4 18 B7R1.3 IC1=NN=CC=C1 2308AJ [1,0,0,0,0,0|3,0,0]=4 19 B7R1.3 OC1=NC=CC=N1 Y4949 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.3 [O-]C1=CC=CN=C1 P818 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.1 BrCC1=CC=C(Br)N=N1 5427AC [0,1,0,0,0,0|3,0,0]=4 22 B9R1.1 CC1=CC=C(CO)N=N1 3088AC [0,1,0,0,0,0|2,0,0]=3 23 B9R1.1 CC1=CN=C(CCl)N=C1 5238AA [0,1,0,0,0,0|3,0,0]=4 24 B9R1.1 CC1=NC=C(CBr)C=N1 1051AC [0,1,0,0,0,0|3,0,0]=4 25 B9R1.1 CC1=NC=C(CCl)C=N1 5239AA [0,1,0,0,0,0|3,0,0]=4 26 B9R1.1 CC1=NC=C(CN)C=N1 6982AA [0,1,0,0,0,0|3,0,0]=4 27 B9R1.1 CCC1=CC=C(Cl)N=N1 2240AJ [0,1,0,0,0,0|3,0,0]=4 28 B9R1.1 CCC1=CN=C(Cl)C=C1 1065AA [0,1,0,0,0,0|2,0,0]=3 29 B9R1.1 CCC1=NC=C(Br)C=N1 W8957 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.1 CCC1=NC=C(C)C=C1 9500AA [0,1,0,0,0,0|2,0,0]=3 31 B9R1.1 CSC1=CN=C(N)C=C1 2168AC [0,1,0,0,0,0|3,0,0]=4 32 B9R1.1 ClC1=CN=C(CBr)C=C1 9045AB [0,1,0,0,0,0|2,0,0]=3 33 B9R1.1 ClC1=CN=C(CBr)N=C1 4345AA [0,1,0,0,0,0|3,0,0]=4 34 B9R1.1 ClC1=NN=C(CBr)C=C1 Z2643 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.1 ClCC1=CN=C(Cl)C=N1 1322AA [0,1,0,0,0,0|3,0,0]=4 36 B9R1.1 ClCC1=NC=C(Cl)C=N1 6189AC [0,1,0,0,0,0|3,0,0]=4 37 B9R1.1 FC1=NC=C(CBr)C=C1 Y6935 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.1 NC1=CC=C(C=O)C=C1 L628 [0,1,0,0,0,0|0,0,2]=3 39 B9R1.1 NC1=NC=C(CCl)C=N1 3625AA [0,1,0,0,0,0|3,0,0]=4 40 B9R1.1 NCC1=CC=C(Br)N=C1 4185AA [0,1,0,0,0,0|2,0,0]=3 41 B9R1.1 NCC1=CN=C(Cl)C=C1 8881AH [0,1,0,0,0,0|2,0,0]=3 42 B9R1.1 NCC1=CN=C(N)C=C1 4936AD [0,1,0,0,0,0|2,0,0]=3 43 B9R1.1 NCC1=CN=C(N)N=C1 0341AC [0,1,0,0,0,0|3,0,0]=4 44 B9R1.1 NCC1=NC=C(F)C=N1 3894AJ [0,1,0,0,0,0|3,0,0]=4 45 B9R1.1 NCC1=NC=C(F)C=N1 8843AH [0,1,0,0,0,0|3,0,0]=4 46 B9R1.1 NNC1=NC=C(F)C=C1 Y2066 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.1 O=CC1=CC=[N+]([O-])C=C1 0867AQ [0,1,0,0,0,0|1,0,2]=4 48 B9R1.2 C=CC1=CC=CC(Cl)=N1 6792AA [0,1,0,0,0,0|2,0,1]=4 49 B9R1.2 C=CC1=NC(Br)=CC=C1 5762AC [0,1,0,0,0,0|2,0,1]=4 50 B9R1.2 C=CC1=NC(F)=CC=C1 3676AC [0,1,0,0,0,0|2,0,1]=4 51 B9R1.2 C=CC1=NC=CC(Br)=C1 6873AB [0,1,0,0,0,0|2,0,1]=4 52 B9R1.2 CC1=NC=CC(CCl)=N1 4940AC [0,1,0,0,0,0|3,0,0]=4 53 B9R1.2 CCC1=CC(Cl)=CC=C1 9311AB [0,1,0,0,0,0|1,0,0]=2 54 B9R1.2 CCC1=CC=NC(Cl)=C1 5411AB [0,1,0,0,0,0|2,0,0]=3 55 B9R1.2 CNC1=NC=CC(N)=C1 5548AC [0,1,0,0,0,0|3,0,0]=4 56 B9R1.2 COC1=CC(O)=NC=C1 W9780 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.2 ClC1=NC=CC(CBr)=N1 Z3722 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.2 ClCC1=CC(I)=CC=C1 8955AB [0,1,0,0,0,0|1,0,0]=2 59 B9R1.2 NC1=CC=NC(CCl)=N1 2442AC [0,1,0,0,0,0|3,0,0]=4 60 B9R1.2 NC1=NC=CC(C=O)=C1 4853AC [0,1,0,0,0,0|1,0,2]=4 61 B9R1.2 NC1=NC=CC(CCl)=C1 3800AC [0,1,0,0,0,0|2,0,0]=3 62 B9R1.2 NC1=NC=NC(CO)=C1 3993AD [0,1,0,0,0,0|2,0,0]=3 63 B9R1.2 NCC1=CC(Cl)=NC=N1 3573AF [0,1,0,0,0,0|3,0,0]=4 64 B9R1.2 NCC1=CC(O)=CN=C1 Y1979 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.2 NCC1=NC(Cl)=CN=C1 1377AA [0,1,0,0,0,0|3,0,0]=4 66 B9R1.2 NCC1=NC=CC(Cl)=N1 8769AH [0,1,0,0,0,0|3,0,0]=4 67 B9R1.2 NCC1=NC=CC(F)=C1 Y4340 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.2 NNC1=NC=CC(F)=C1 2894AC [0,1,0,0,0,0|3,0,0]=4 69 B9R1.2 NNC1=NC=CC(I)=C1 Y3597 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.2 O=CC1=NC=CC(F)=C1 1362AA [0,1,0,0,0,0|1,0,2]=4 71 B9R1.2 OCC1=NC(O)=CC=C1 1325AE [0,1,0,0,0,0|1,0,0]=2 72 B9R1.6 C=C(F)C1=CC=CC=C1 1021AL [0,1,0,0,0,0|1,0,1]=3 73 B9R1.6 CC(=N)C1=CC=CN=C1 Y6078 [0,1,0,0,0,0|2,0,1]=4 74 B9R1.6 CC(Cl)C1=NC=CC=C1 Z2355 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.6 CC(Cl)C1=NC=CN=C1 Z2354 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.6 CC(N)C1=CN=NC=C1 0280AA [0,1,0,0,0,0|3,0,0]=4 77 B9R1.6 CC(N)C1=NC=CC=N1 6203AC [0,1,0,0,0,0|3,0,0]=4 78 B9R1.6 CC(O)C1=CC=NC=C1 W4712 [0,1,0,0,0,0|1,0,0]=2 79 B9R1.6 CC(O)C1=CN=CN=C1 9546AH [0,1,0,0,0,0|2,0,0]=3 80 B9R1.6 OB(O)C1=NC=NC=C1 X3657 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.8 C#C[I+]C1=CC=CC=C1 7930AL [0,1,0,0,0,0|1,0,1]=3 82 B9R1.8 CNCC1=CC=NC=N1 4986AA [0,1,0,0,0,0|3,0,0]=4 83 B9R1.8 CNCC1=CN=CC=C1 7435AH [0,1,0,0,0,0|2,0,0]=3 84 B9R1.8 ClC#CC1=CC=CC=C1 0032AQ [0,1,0,0,0,0|1,0,1]=3 85 B9R1.8 ClCCC1=CC=NC=C1 2738AB [0,1,0,0,0,0|2,0,0]=3 86 B9R1.8 ClCCC1=CN=CC=C1 5261AB [0,1,0,0,0,0|2,0,0]=3 87 B9R1.8 Cl[Mg]CC1=CC=CC=C1 8408AJ [0,1,0,0,0,0|1,0,0]=2 88 B9R1.8 IC#CC1=CC=CC=C1 0175AQ [0,1,0,0,0,0|1,0,1]=3 89 B9R1.8 N#CCC1=CN=NC=C1 9481AC [0,1,0,0,0,0|3,0,0]=4 90 B9R1.8 NCCC1=CN=CN=C1 3332AC [0,1,0,0,0,0|3,0,0]=4 91 B9R1.8 NCCC1=NC=CC=N1 4806AC [0,1,0,0,0,0|3,0,0]=4 92 B9R1.8 NCCC1=NC=NC=C1 1885AJ [0,1,0,0,0,0|3,0,0]=4 93 B9R1.8 NCCC1=NC=NC=C1 1886AJ [0,1,0,0,0,0|3,0,0]=4 94 B9R1.8 NNCC1=CC=CC=N1 4874AC [0,1,0,0,0,0|2,0,0]=3 95 B9R1.8 NNCC1=NC=CN=C1 1808AL [0,1,0,0,0,0|3,0,0]=4 96 B9R1.8 NNCC1=NC=CN=C1 5211AA [0,1,0,0,0,0|3,0,0]=4 97 B9R1.8 O=C=NC1=CC=NC=C1 Z2906 [0,1,0,0,0,0|1,0,2]=4 98 B9R1.8 O=CCC1=CC=CN=C1 5877AB [0,1,0,0,0,0|1,0,1]=3 99 B9R1.8 OCCC1=NC=CC=N1 1887AJ [0,1,0,0,0,0|2,0,0]=3 100 B9R1.8 OCCC1=NC=NC=C1 0497AC [0,1,0,0,0,0|2,0,0]=3 101 B9R1.8 O\N=C/C1=CC=CC=C1 9354AB [0,1,0,0,0,0|0,0,1]=2 102 B9R1.15 C#CC1=NC=CC=C1O 6972AA [0,1,0,0,0,0|2,0,1]=4 103 B9R1.15 C=CC1=CC=CNC1=O 5186AB [0,1,0,0,0,0|2,0,1]=4 104 B9R1.15 C=CC1=NC=CC=C1Br 2479AC [0,1,0,0,0,0|2,0,1]=4 105 B9R1.15 CC1=CN=CC=C1CO 4896AB [0,1,0,0,0,0|1,0,0]=2 106 B9R1.15 CC1=NC=CC=C1CBr X4783 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.15 CC1=NC=CC=C1CO X2884 [0,1,0,0,0,0|1,0,0]=2 108 B9R1.15 CC1=NC=CN=C1CO 8119AA [0,1,0,0,0,0|2,0,0]=3 109 B9R1.15 CCC1=CN=CN=C1O 3208AJ [0,1,0,0,0,0|3,0,0]=4 110 B9R1.15 COC1=C(Cl)C=NC=C1 3447AC [0,1,0,0,0,0|3,0,0]=4 111 B9R1.15 CSC1=NC=CC=C1Cl Z1214 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.15 N#CC1=CC=CNC1=S 4935AE [0,1,0,0,0,0|2,0,1]=4 113 B9R1.15 NCC1=C(F)N=CC=C1 3392AC [0,1,0,0,0,0|2,0,0]=3 114 B9R1.15 NCC1=C(N)C=CC=N1 5249AJ [0,1,0,0,0,0|2,0,0]=3 115 B9R1.15 NCC1=C(N)C=NC=C1 7105AA [0,1,0,0,0,0|2,0,0]=3 116 B9R1.15 NCC1=CC=CN=C1N 4362AD [0,1,0,0,0,0|2,0,0]=3 117 B9R1.15 NCC1=CC=CNC1=O Y1980 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.15 NCC1=NC=CN=C1N 5683AJ [0,1,0,0,0,0|3,0,0]=4 119 B9R1.15 O=CC1=C(F)C=CN=C1 Y1524 [0,1,0,0,0,0|1,0,2]=4 120 B9R1.15 OCC1=C(O)C=NC=C1 X7917 [0,1,0,0,0,0|1,0,0]=2 121 B7R0.1 C=CC\C=C\CCC 4639AL [0,0,1,0,0,0|1,0,2]=4 122 B7R1.1 BrCC1=CC=NO1 0787AC [0,0,0,0,1,0|3,0,0]=4 123 B7R1.1 BrCC1=CN=CS1 Y7777 [0,0,0,0,1,0|3,0,0]=4 124 B7R1.1 BrCC1=CNC=N1 2559AC [0,0,0,0,1,0|3,0,0]=4 125 B7R1.1 BrCC1=COC=C1 Z5546 [0,0,0,0,1,0|2,0,0]=3 126 B7R1.1 BrCC1=NC=CS1 5217AA [0,0,0,0,1,0|3,0,0]=4 127 B7R1.1 CCC1=CNN=C1 5501AD [0,0,0,0,1,0|3,0,0]=4 128 B7R1.1 CCC1=CSC=N1 9240AA [0,0,0,0,1,0|3,0,0]=4 129 B7R1.1 CCC1=[C-]CC=C1 3755AB [0,0,0,0,1,0|1,0,2]=4 130 B7R1.1 CSC1=CC=CO1 3661AD [0,0,0,0,1,0|3,0,0]=4 131 B7R1.1 ClCC1=CN=CO1 8892AA [0,0,0,0,1,0|3,0,0]=4 132 B7R1.1 ClCC1=CN=CS1 Z3006 [0,0,0,0,1,0|3,0,0]=4 133 B7R1.1 ClCC1=CNN=C1 8278AA [0,0,0,0,1,0|3,0,0]=4 134 B7R1.1 ClCC1=COC=N1 1964AC [0,0,0,0,1,0|3,0,0]=4 135 B7R1.1 ClCC1=NOC=C1 8517AB [0,0,0,0,1,0|3,0,0]=4 136 B7R1.1 NCC1=CC=NO1 5355AB [0,0,0,0,1,0|3,0,0]=4 137 B7R1.1 NCC1=CNN=C1 3378AA [0,0,0,0,1,0|3,0,0]=4 138 B7R1.1 NCC1=CON=C1 3103AA [0,0,0,0,1,0|3,0,0]=4 139 B7R1.1 NCC1=CON=C1 8976AA [0,0,0,0,1,0|3,0,0]=4 140 B7R1.1 NCC1=NC=CS1 Y9458 [0,0,0,0,1,0|3,0,0]=4 141 B7R1.1 OCC1=CC=NS1 8796AA [0,0,0,0,1,0|2,0,0]=3 142 B7R1.1 OCC1=CN=NS1 3511AA [0,0,0,0,1,0|3,0,0]=4 143 B7R1.1 OCC1=CSN=N1 7580AJ [0,0,0,0,1,0|3,0,0]=4 144 B7R1.1 OCC1=NC=CS1 1650AB [0,0,0,0,1,0|2,0,0]=3 145 B7R1.1 OCC1=NNN=C1 2970AC [0,0,0,0,1,0|3,0,0]=4 146 B9R1.89 N#CC1C=CC=CC=C1 6441AA [0,0,0,0,0,1|1,0,2]=4 147 B8R1.3 C[N+]1=CC=C(N)C=C1 9467AE [1,1,0,0,0,0|1,0,0]=3 148 B8R1.3 SC1=CC=C(Cl)C=N1 2810AE [1,1,0,0,0,0|1,1,0]=4 149 B8R1.4 CC1=CC(C)=NC=N1 W3390 [1,1,0,0,0,0|2,0,0]=4 150 B8R1.4 CC1=CC=CC(=S)N1 0770AQ [1,1,0,0,0,0|1,0,0]=3 151 B8R1.4 NC1=CC(O)=CC=C1 I722 [1,1,0,0,0,0|0,0,0]=2 152 B8R1.4 O=C1C=C(Cl)C=CO1 5500AA [1,1,0,0,0,0|1,0,1]=4 153 B8R1.4 SC1=CC(Cl)=NC=C1 Y5887 [1,1,0,0,0,0|1,1,0]=4 154 B8R1.5 CC1=C(F)C=CN=C1 2798AB [1,1,0,0,0,0|1,0,0]=3 155 B8R1.5 CC1=NC=CC=C1O 9469AJ [1,1,0,0,0,0|1,0,0]=3 156 B8R1.5 NC1=CC=CC=C1Br 6262AC [1,1,0,0,0,0|1,0,0]=3 157 B8R1.5 O=C1NC=CC=C1I 2032AA [1,1,0,0,0,0|1,0,1]=4 158 B8R1.1 BrCC1=CC(Br)=CS1 2458AC [0,1,0,0,1,0|2,0,0]=4 159 B8R1.1 CC1=CC(CO)=CO1 Y6575 [0,1,0,0,1,0|1,0,0]=3 160 B8R1.1 CC1=NC(CO)=CO1 Y7510 [0,1,0,0,1,0|2,0,0]=4 161 B8R1.1 NC1=NC(CO)=CO1 8478AH [0,1,0,0,1,0|2,0,0]=4 162 B8R1.1 NC1=NNC(CO)=C1 6290AC [0,1,0,0,1,0|2,0,0]=4 163 B8R1.1 NCC1=CC(Cl)=CS1 0924AB [0,1,0,0,1,0|2,0,0]=4 164 B8R1.1 NCC1=CC=C(Br)O1 4771AJ [0,1,0,0,1,0|2,0,0]=4 165 B8R1.1 NCC1=CSC(Cl)=C1 6085AC [0,1,0,0,1,0|2,0,0]=4 166 B8R1.1 O=C1C=C[C@@H](CO)O1 N842 [0,1,0,0,1,0|1,0,1]=4 167 B8R1.1 OCC1=CC(Br)=CN1 2105AC [0,1,0,0,1,0|1,0,0]=3 168 B8R1.1 OCC1=COC(Br)=N1 1802AA [0,1,0,0,1,0|2,0,0]=4 169 B8R1.1 OCC1=COC(Cl)=N1 Y5525 [0,1,0,0,1,0|2,0,0]=4 170 B8R1.7 O=C(O)N1C=CC=C1 Z3516 [0,1,0,0,1,0|1,0,1]=4 171 B8R1.7 OB(O)C1=CC=C[Se]1 4327AB [0,1,0,0,1,0|2,0,0]=4 172 B8R1.8 BrCCC1=CC=CO1 1031AJ [0,1,0,0,1,0|2,0,0]=4 173 B8R1.8 OCCC1=NC=CS1 4751AC [0,1,0,0,1,0|2,0,0]=4 174 B8R1.11 CC1=C(CO)C=NO1 8859AH [0,1,0,0,1,0|2,0,0]=4 175 B8R1.11 NCC1=C(Br)SC=C1 8483AH [0,1,0,0,1,0|2,0,0]=4 176 B10R1.1 C=COC1=CC=C(N)C=C1 7199AC [0,2,0,0,0,0|1,0,1]=4 177 B10R1.1 CC1=CC=C(N=[N+]=[N-])C=C1 0054AQ [0,2,0,0,0,0|2,0,0]=4 178 B10R1.1 CC1=NC=C(CNN)C=C1 0436AA [0,2,0,0,0,0|2,0,0]=4 179 B10R1.1 CNCC1=CN=C(Cl)C=C1 9683AL [0,2,0,0,0,0|2,0,0]=4 180 B10R1.1 COCC1=NN=C(Cl)C=C1 Z2718 [0,2,0,0,0,0|2,0,0]=4 181 B10R1.1 CSCC1=CN=C(Cl)C=C1 7608AC [0,2,0,0,0,0|1,1,0]=4 182 B10R1.1 NCCC1=CN=C(Br)C=C1 5186AC [0,2,0,0,0,0|2,0,0]=4 183 B10R1.1 NCCC1=CN=C(Cl)C=C1 7778AB [0,2,0,0,0,0|2,0,0]=4 184 B10R1.1 O=CNC1=CC=C(Br)C=C1 1242AQ [0,2,0,0,0,0|0,0,2]=4 185 B10R1.1 [N-]=[N+]=NC1=CC=C(Br)C=C1 0041AQ [0,2,0,0,0,0|2,0,0]=4 186 B10R1.1 [N-]=[N+]=NC1=CC=C(Cl)C=C1 0043AQ [0,2,0,0,0,0|2,0,0]=4 187 B10R1.1 [N-]=[N+]=NC1=CC=C(F)C=C1 0045AQ [0,2,0,0,0,0|2,0,0]=4 188 B10R1.3 C=CC1=NC=C(CC)C=C1 7768AB [0,2,0,0,0,0|2,0,0]=4 189 B10R1.3 COC1=CN=C(CCl)C=C1 1704AC [0,2,0,0,0,0|2,0,0]=4 190 B10R1.3 CSC1=CC=C(C#N)C=C1 D346 [0,2,0,0,0,0|1,0,1]=4 191 B10R1.3 NCC1=CC=C(CBr)C=C1 9484AE [0,2,0,0,0,0|1,0,0]=3 192 B10R1.3 NCC1=CC=C(CCl)C=C1 9520AE [0,2,0,0,0,0|1,0,0]=3 193 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 7866AF [0,2,0,0,0,0|1,0,1]=4 194 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 O022 [0,2,0,0,0,0|1,0,1]=4 195 B10R1.13 CC1=CN=C(C(C)C)C=C1 1750AJ [0,2,0,0,0,0|2,0,0]=4 196 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 W7028 [0,2,0,0,0,0|1,0,0]=3 197 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 W7688 [0,2,0,0,0,0|1,0,0]=3 198 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y6478 [0,2,0,0,0,0|2,0,0]=4 199 B10R1.13 ClC1=CC=C(C(Cl)Cl)C=N1 8779AE [0,2,0,0,0,0|2,0,0]=4 200 B10R1.25 C#CC1=CC=C(Br)C=C1F 3151AB [0,2,0,0,0,0|1,0,1]=4 201 B10R1.25 CC1=C(CO)C=NC(Br)=C1 Z0135 [0,2,0,0,0,0|1,0,0]=3 202 B10R1.25 CC1=C(CO)C=NC(Cl)=C1 Y3999 [0,2,0,0,0,0|1,0,0]=3 203 B10R1.25 CC1=C(NN)C=CC(Cl)=C1 0145AB [0,2,0,0,0,0|2,0,0]=4 204 B10R1.25 CC1=CC(C)=C(CBr)N=C1 8736AA [0,2,0,0,0,0|2,0,0]=4 205 B10R1.25 CC1=CC(F)=NC=C1CO Z0173 [0,2,0,0,0,0|1,0,0]=3 206 B10R1.25 CC1=CC(N)=C(C=O)C=C1 1510AJ [0,2,0,0,0,0|0,0,2]=4 207 B10R1.25 CC1=CC=C(CO)C(Cl)=N1 0639AC [0,2,0,0,0,0|1,0,0]=3 208 B10R1.25 CC1=NC(N)=C(CO)N=C1 3606AC [0,2,0,0,0,0|2,0,0]=4 209 B10R1.25 CC1=NC=C(CO)C(=O)N1 0808AC [0,2,0,0,0,0|2,0,0]=4 210 B10R1.25 COC1=CC=C(C)C=C1F Z0570 [0,2,0,0,0,0|2,0,0]=4 211 B10R1.25 CSC1=CC=C(F)C=C1O Y3948 [0,2,0,0,0,0|2,0,0]=4 212 B10R1.25 NC1=NC=C(CO)C(N)=N1 5841AB [0,2,0,0,0,0|2,0,0]=4 213 B10R1.25 NCC1=NC=C(Cl)C=C1F 4863AA [0,2,0,0,0,0|2,0,0]=4 214 B10R1.25 NNC1=C(Cl)C=C(I)C=C1 3038AB [0,2,0,0,0,0|2,0,0]=4 215 B10R1.25 NNC1=C(I)C=C(Cl)C=C1 3037AB [0,2,0,0,0,0|2,0,0]=4 216 B10R1.25 NNC1=CC=C(Br)C=C1F 8750AH [0,2,0,0,0,0|2,0,0]=4 217 B10R1.25 NNC1=CC=C(F)C=C1Br X6575 [0,2,0,0,0,0|2,0,0]=4 218 B10R1.25 OCC1=CC=C(Cl)N=C1Br 4352AA [0,2,0,0,0,0|1,0,0]=3 219 B10R1.176 CC1=C(F)C=CC(CO)=N1 5413AA [0,2,0,0,0,0|1,0,0]=3 220 B10R1.176 CC1=CC(CCl)=CC=C1Br V3412 [0,2,0,0,0,0|1,0,0]=3 221 B10R1.176 CC1=CC(CN)=NC=C1Br 4770AJ [0,2,0,0,0,0|2,0,0]=4 222 B10R1.176 CC1=CC(CO)=CN=C1Br Z0074 [0,2,0,0,0,0|1,0,0]=3 223 B10R1.176 CC1=CN=C(CO)C=C1Cl 4080AC [0,2,0,0,0,0|1,0,0]=3 224 B10R1.176 CCC1=CC(O)=C(O)C=C1 2184AA [0,2,0,0,0,0|1,0,0]=3 225 B10R1.176 CCC1=CC=C(O)C(C)=N1 X8291 [0,2,0,0,0,0|2,0,0]=4 226 B10R1.176 FC1=CC=C(CCl)C=C1I 3358AD [0,2,0,0,0,0|1,0,0]=3 227 B10R1.176 N#CC1=CC(S)=C(N)C=C1 9041AA [0,2,0,0,0,0|1,0,1]=4 228 B10R1.176 NC1=CC(C=O)=CC=C1Br V5484 [0,2,0,0,0,0|0,0,2]=4 229 B10R1.176 NCC1=CC=C(N)C(O)=C1 1512AJ [0,2,0,0,0,0|1,0,0]=3 230 B10R1.176 O=C1C=C(CO)NC=C1O Y3273 [0,2,0,0,0,0|1,0,0]=3 231 B10R1.176 O=C1C=C(C[O-])OC=C1O 8125AL [0,2,0,0,0,0|1,0,1]=4 232 B10R1.176 OCC1=CC(Br)=C(Cl)N=C1 2742AF [0,2,0,0,0,0|1,0,0]=3 233 B10R1.176 OCC1=CC(Cl)=C(Br)C=N1 0928AA [0,2,0,0,0,0|1,0,0]=3 234 B10R1.176 OCC1=CC=C(F)C(I)=C1 7762AD [0,2,0,0,0,0|0,0,0]=2 235 B10R1.176 OCC1=CC=C(O)C(Br)=N1 5393AD [0,2,0,0,0,0|1,0,0]=3 236 B10R1.2 CC1=C(F)C=CC=C1NN 8274AC [0,2,0,0,0,0|2,0,0]=4 237 B10R1.2 CC1=C(O)C(CO)=CC=C1 9889AL [0,2,0,0,0,0|0,0,0]=2 238 B10R1.2 CCC1=CC=CC(C)=C1I 5834AD [0,2,0,0,0,0|1,0,0]=3 239 B10R1.2 COC1=CC=CC(Cl)=C1O 1226AC [0,2,0,0,0,0|2,0,0]=4 240 B10R1.2 ClCC1=C(Cl)C(Cl)=NC=C1 0366AE [0,2,0,0,0,0|2,0,0]=4 241 B10R1.2 N#CC1=C(O)C(I)=CC=C1 2744AB [0,2,0,0,0,0|1,0,1]=4 242 B10R1.2 N#CC1=CC=CC(N)=C1S 1936AA [0,2,0,0,0,0|1,0,1]=4 243 B10R1.2 OCC1=C(Cl)C(Cl)=NC=C1 Z0520 [0,2,0,0,0,0|1,0,0]=3 244 B10R1.8 CC1=CC(Cl)=CC(CO)=N1 6880AC [0,2,0,0,0,0|1,0,0]=3 245 B10R1.8 CC1=NC(CO)=CC(N)=N1 3994AD [0,2,0,0,0,0|2,0,0]=4 246 B10R1.8 CC1=NC(CO)=NC(N)=C1 3378AD [0,2,0,0,0,0|2,0,0]=4 247 B10R1.8 CSC1=CC(F)=CC(Cl)=C1 Z0087 [0,2,0,0,0,0|2,0,0]=4 248 B10R1.8 N#CC1=CC(Br)=CC(I)=C1 2893AB [0,2,0,0,0,0|1,0,1]=4 249 B10R1.8 N#CC1=CC(I)=CC(F)=C1 W8104 [0,2,0,0,0,0|1,0,1]=4 250 B10R1.8 NCC1=CC(Cl)=CC(N)=C1 0652AA [0,2,0,0,0,0|1,0,0]=3 251 B10R1.8 OCC1=NC(O)=CC(O)=N1 X2136 [0,2,0,0,0,0|2,0,0]=4 252 B10R1.10 C=CCC1=CC(O)=CC=C1 5771AJ [0,2,0,0,0,0|1,0,0]=3 253 B10R1.10 C=CCC1=CC=CC(C)=C1 0989AQ [0,2,0,0,0,0|1,0,0]=3 254 B10R1.10 CC1=CC(CC=O)=CC=C1 8853AE [0,2,0,0,0,0|0,0,1]=3 255 B10R1.10 CC1=CC=CC(\C=N\O)=N1 7872AF [0,2,0,0,0,0|1,0,1]=4 256 B10R1.10 CC1=NC=CC(CCN)=C1 Y9654 [0,2,0,0,0,0|2,0,0]=4 257 B10R1.10 CC1=NC=CC(CNN)=C1 2499AD [0,2,0,0,0,0|2,0,0]=4 258 B10R1.10 CCCC1=CC(F)=CC=C1 2809AB [0,2,0,0,0,0|1,0,0]=3 259 B10R1.10 CCCC1=CC(N)=NC=C1 2921AJ [0,2,0,0,0,0|2,0,0]=4 260 B10R1.10 CCCC1=NC=CC(Cl)=C1 2766AJ [0,2,0,0,0,0|2,0,0]=4 261 B10R1.10 CCCC1=NC=CC(Cl)=C1 Z2848 [0,2,0,0,0,0|2,0,0]=4 262 B10R1.10 CNCC1=CC(Cl)=NC=C1 9152AE [0,2,0,0,0,0|2,0,0]=4 263 B10R1.10 N#CCC1=CC(N)=CC=C1 2233AA [0,2,0,0,0,0|1,0,0]=3 264 B10R1.10 NCCC1=CC(Br)=CN=C1 1207AJ [0,2,0,0,0,0|2,0,0]=4 265 B10R1.10 NCCC1=NC(Cl)=CC=C1 5821AC [0,2,0,0,0,0|2,0,0]=4 266 B10R1.10 NNCC1=CC=CC(O)=C1 W8565 [0,2,0,0,0,0|1,0,0]=3 267 B10R1.10 NOCC1=CC(Br)=CC=C1 7993AA [0,2,0,0,0,0|0,0,0]=2 268 B10R1.10 O=CCC1=CC(Cl)=CC=C1 3014AE [0,2,0,0,0,0|0,0,1]=3 269 B10R1.10 O=CCC1=CC(F)=CC=C1 9224AE [0,2,0,0,0,0|0,0,1]=3 270 B10R1.10 O=CCC1=CC=CC(Br)=C1 Y7020 [0,2,0,0,0,0|0,0,1]=3 271 B10R1.10 O=CCC1=NC(Br)=CC=C1 3706AA [0,2,0,0,0,0|1,0,1]=4 272 B10R1.30 CC1=C(CBr)C=C(Cl)C=C1 3694AC [0,2,0,0,0,0|1,0,0]=3 273 B10R1.30 CC1=CN=C(F)C(CO)=C1 Y3891 [0,2,0,0,0,0|1,0,0]=3 274 B10R1.30 CCC1=C(C)C=CC(C)=C1 5606AL [0,2,0,0,0,0|1,0,0]=3 275 B10R1.30 CCC1=C(N)C=CC(Cl)=N1 5191AC [0,2,0,0,0,0|2,0,0]=4 276 B10R1.30 CCC1=C(N)C=NC(Br)=C1 3463AJ [0,2,0,0,0,0|2,0,0]=4 277 B10R1.30 CNC1=CC(Br)=CC=C1C Z8011 [0,2,0,0,0,0|2,0,0]=4 278 B10R1.30 ClCC1=CC(Br)=CN=C1Cl 7443AC [0,2,0,0,0,0|2,0,0]=4 279 B10R1.30 NC1=CC=C(O)C(CO)=C1 0979AA [0,2,0,0,0,0|0,0,0]=2 280 B10R1.30 NCC1=CC(Cl)=CC=C1O 5223AB [0,2,0,0,0,0|1,0,0]=3 281 B10R1.30 NNC1=CC(Cl)=CC=C1F 5195AB [0,2,0,0,0,0|2,0,0]=4 282 B10R1.30 OCC1=CC(Br)=NC=C1Cl Y3910 [0,2,0,0,0,0|1,0,0]=3 283 B10R1.30 OCC1=CC(F)=CN=C1Cl 3708AC [0,2,0,0,0,0|1,0,0]=3 284 B10R1.30 OCC1=CC(F)=NC=C1Br 9922AL [0,2,0,0,0,0|1,0,0]=3 285 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 Y3806 [0,2,0,0,0,0|2,0,0]=4 286 B10R1.113 CC(N)C1=CC(O)=CC=C1 Y9690 [0,2,0,0,0,0|1,0,0]=3 287 B10R1.113 CC(N)C1=CC=CC(N)=C1 2191AL [0,2,0,0,0,0|1,0,0]=3 288 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 W3721 [0,2,0,0,0,0|1,0,0]=3 289 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 2975AH [0,2,0,0,0,0|1,0,0]=3 290 B10R1.113 FC(F)C1=CC(Br)=NC=C1 0946AD [0,2,0,0,0,0|2,0,0]=4 291 B10R1.113 FC(F)C1=NC=CC(Cl)=C1 0710AD [0,2,0,0,0,0|2,0,0]=4 292 B10R1.113 N=C(N)C1=CC(O)=CC=C1 7158AE [0,2,0,0,0,0|1,0,1]=4 293 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 2246AJ [0,2,0,0,0,0|1,0,1]=4 294 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 8289AJ [0,2,0,0,0,0|0,0,1]=3 295 B10R1.113 O=C(O)C1=NC=CC(O)=C1 6183AJ [0,2,0,0,0,0|1,0,1]=4 296 B10R1.113 O=C([O-])C1=CC(Cl)=CC=C1 3821AL [0,2,0,0,0,0|0,0,2]=4 297 B10R1.113 OB(O)C1=NC=CC(F)=C1 3642AA [0,2,0,0,0,0|2,0,0]=4 298 B10R1.172 C=CC1=CC=CC(C=O)=C1 0260AB [0,2,0,0,0,0|0,0,2]=4 299 B10R1.172 CCC1=CC(C=O)=NC=C1 X3712 [0,2,0,0,0,0|2,0,0]=4 300 B10R1.172 CCC1=CC(NN)=CC=C1 8645AH [0,2,0,0,0,0|1,0,0]=3 301 B10R1.172 CCC1=CC=CC(C#N)=N1 8795AB [0,2,0,0,0,0|2,0,0]=4 302 B10R1.172 CCC1=CC=CC(SC)=C1 Z0769 [0,2,0,0,0,0|1,0,0]=3 303 B10R1.172 COC1=CC(CCl)=NC=C1 6991AC [0,2,0,0,0,0|2,0,0]=4 304 B10R1.172 COC1=CC=CC(CN)=N1 6563AC [0,2,0,0,0,0|2,0,0]=4 305 B10R1.172 ClCC1=CN=CC(CCl)=C1 W9930 [0,2,0,0,0,0|2,0,0]=4 306 B10R1.172 OCC1=CN=CC(CO)=C1 1004AB [0,2,0,0,0,0|1,0,0]=3 307 B10R1.15 C#CC(O)C1=CC=NC=C1 1743AA [0,2,0,0,0,0|1,0,0]=3 308 B10R1.15 C=C(CBr)C1=CC=CC=C1 Z4610 [0,2,0,0,0,0|1,0,0]=3 309 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 1195AL [0,2,0,0,0,0|0,0,0]=2 310 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 2803AB [0,2,0,0,0,0|0,0,0]=2 311 B10R1.15 NC(CO)C1=CC=CC=N1 1469AJ [0,2,0,0,0,0|1,0,0]=3 312 B10R1.15 NC(CO)C1=CC=NC=C1 1231AC [0,2,0,0,0,0|1,0,0]=3 313 B10R1.15 NCC(=O)C1=CC=NC=C1 1463AJ [0,2,0,0,0,0|2,0,0]=4 314 B10R1.15 NCC(=O)C1=NC=CC=C1 1454AJ [0,2,0,0,0,0|2,0,0]=4 315 B10R1.15 NCC(=O)C1=NC=CC=C1 1462AJ [0,2,0,0,0,0|2,0,0]=4 316 B10R1.15 NCC(O)C1=CC=CC=C1 3929AE [0,2,0,0,0,0|0,0,0]=2 317 B10R1.15 NCC(O)C1=CC=NC=C1 1456AJ [0,2,0,0,0,0|1,0,0]=3 318 B10R1.15 NC[C@@H](F)C1=CC=CC=C1 0407AQ [0,2,0,0,0,0|1,0,0]=3 319 B10R1.15 O=CC(Br)C1=CC=CC=C1 8662AA [0,2,0,0,0,0|0,0,1]=3 320 B10R1.15 O\N=C(/Cl)C1=NC=CC=C1 0781AC [0,2,0,0,0,0|1,0,1]=4 321 B10R1.61 CC1=CC=CC=C1[C@@H](C)N X8767 [0,2,0,0,0,0|1,0,0]=3 322 B10R1.61 FC(F)C1=C(Cl)N=CC=C1 1022AF [0,2,0,0,0,0|2,0,0]=4 323 B10R1.61 FC(F)C1=CC=NC=C1Br 9491AC [0,2,0,0,0,0|2,0,0]=4 324 B10R1.61 N=C(N)C1=CC=CC=C1O Y9154 [0,2,0,0,0,0|1,0,1]=4 325 B10R1.61 NC1=CC=CC=C1C(F)F 0350AC [0,2,0,0,0,0|1,0,0]=3 326 B10R1.61 O=C(O)C1=CC=COC1=O 9602AD [0,2,0,0,0,0|1,0,1]=4 327 B10R1.61 O=C(O)C1=NC=CC=C1F 5886AJ [0,2,0,0,0,0|1,0,1]=4 328 B10R1.61 OB(O)C1=C(O)C=CC=N1 4677AA [0,2,0,0,0,0|2,0,0]=4 329 B10R1.61 OB(O)C1=NC=CC=C1F Z6915 [0,2,0,0,0,0|2,0,0]=4 330 B10R1.4 C=CCC1=C(Cl)C=CC=C1 7969AA [0,2,0,0,0,0|1,0,0]=3 331 B10R1.4 C=CCC1=C(F)C=CC=C1 5696AE [0,2,0,0,0,0|1,0,0]=3 332 B10R1.4 CC1=CC=CC=C1CC=O 7409AC [0,2,0,0,0,0|0,0,1]=3 333 B10R1.4 CC1=CC=CC=C1N=[N+]=[N-] 0050AQ [0,2,0,0,0,0|2,0,0]=4 334 B10R1.4 CCOC1=C(Cl)C=CN=C1 0184AA [0,2,0,0,0,0|2,0,0]=4 335 B10R1.4 CCOC1=CC=CN=C1F Z0876 [0,2,0,0,0,0|2,0,0]=4 336 B10R1.4 ClCOC1=C(Cl)C=CC=C1 8609AB [0,2,0,0,0,0|1,0,0]=3 337 B10R1.4 NC1=NC=CC=C1CCO 6447AC [0,2,0,0,0,0|1,0,0]=3 338 B10R1.4 NCCC1=C(F)C=CC=N1 1108AJ [0,2,0,0,0,0|2,0,0]=4 339 B10R1.4 NCCN1C=CC=CC1=O Y8846 [0,2,0,0,0,0|2,0,0]=4 340 B10R1.4 NOCC1=CC=CC=C1Br 7199AB [0,2,0,0,0,0|0,0,0]=2 341 B10R1.4 O=C1C=CC=CN1CCCl 7140AB [0,2,0,0,0,0|2,0,0]=4 342 B10R1.4 O=CCC1=CC=CC=C1Br X2126 [0,2,0,0,0,0|0,0,1]=3 343 B10R1.4 O=CCC1=CC=CC=C1Cl 5867AB [0,2,0,0,0,0|0,0,1]=3 344 B10R1.4 O\N=C\C1=C(Cl)C=CN=C1 4070AE [0,2,0,0,0,0|1,0,1]=4 345 B10R1.4 O\N=C\C1=C(Cl)N=CC=C1 7335AD [0,2,0,0,0,0|1,0,1]=4 346 B10R1.17 BrCCCC1=CN=CC=C1 8653AC [0,2,0,0,0,0|2,0,0]=4 347 B10R1.17 C#CCNC1=CC=CC=C1 6094AD [0,2,0,0,0,0|1,0,0]=3 348 B10R1.17 COCOC1=CC=CC=C1 0189AF [0,2,0,0,0,0|0,0,0]=2 349 B10R1.17 N#CNCC1=CN=CC=C1 6277AD [0,2,0,0,0,0|2,0,0]=4 350 B10R1.17 NC\C=C\C1=CC=CC=C1 5624AE [0,2,0,0,0,0|1,0,0]=3 351 B10R1.17 OCCCC1=NC=CC=N1 2038AJ [0,2,0,0,0,0|2,0,0]=4 352 B10R1.17 OCCCC1=NC=CN=C1 2035AJ [0,2,0,0,0,0|2,0,0]=4 353 B10R1.17 OC\C=C/C1=CC=NC=C1 5667AJ [0,2,0,0,0,0|1,0,0]=3 354 B10R1.18 C=C(C)CC1=NC=CC=C1 3662AF [0,2,0,0,0,0|2,0,0]=4 355 B10R1.18 CC(=O)CC1=CN=CC=C1 4586AH [0,2,0,0,0,0|1,0,1]=4 356 B10R1.18 CC(O)CC1=CC=CC=N1 5034AE [0,2,0,0,0,0|1,0,0]=3 357 B10R1.18 N=C(N)CC1=CN=CC=C1 4101AE [0,2,0,0,0,0|2,0,0]=4 358 B10R1.18 O=C([O-])CC1=NC=CC=C1 0459AC [0,2,0,0,0,0|1,0,1]=4 359 B10R1.20 CCC1=C(C#N)C=CN=C1 6074AA [0,2,0,0,0,0|2,0,0]=4 360 B10R1.20 COC1=CC=CC=C1CBr X5311 [0,2,0,0,0,0|1,0,0]=3 361 B10R1.20 COC1=NC=CC=C1CCl 8200AA [0,2,0,0,0,0|2,0,0]=4 362 B10R1.20 COC1=NC=CC=C1CCl Z3937 [0,2,0,0,0,0|2,0,0]=4 363 B10R1.20 N#CC1=CC=CN=C1CBr 2765AA [0,2,0,0,0,0|2,0,0]=4 364 B10R1.20 N#CC1=NC=CC=C1CCl 0559AB [0,2,0,0,0,0|2,0,0]=4 365 B10R1.20 O=CC1=C(CBr)C=CC=C1 1252AJ [0,2,0,0,0,0|1,0,0]=3 366 B10R1.20 OCC1=C(CO)N=CC=C1 4897AB [0,2,0,0,0,0|1,0,0]=3 367 B10R1.20 OCC1=CC=CN=C1CO 5844AB [0,2,0,0,0,0|1,0,0]=3 368 B10R1.245 CCC1=C(Br)C=NC=C1F Z4131 [0,2,0,0,0,0|2,0,0]=4 369 B10R1.245 CNC1=C(C)C=CC=C1C 9464AE [0,2,0,0,0,0|2,0,0]=4 370 B10R1.245 CNC1=C(F)C=CC=C1F 8158AB [0,2,0,0,0,0|2,0,0]=4 371 B10R2.31 NC1=CC2=C(C=C1)C=C2 8136AB [0,1,0,1,0,0|1,0,1]=4 372 B10R2.6 C1=CC(C2CC2)=CN=C1 Y1556 [0,1,0,1,0,0|2,0,0]=4 373 B10R2.7 C1=CC2=C(C=N1)CCC2 7574AB [0,1,0,1,0,0|2,0,0]=4 374 B10R2.7 C1=CC2=C(C=N1)CCN2 1362AJ [0,1,0,1,0,0|2,0,0]=4 375 B10R2.7 C1=CC2=C(C=N1)OC=C2 Y5330 [0,1,0,1,0,0|1,0,1]=4 376 B10R2.7 C1=CC=C2SCOC2=C1 2605AB [0,1,0,1,0,0|0,0,0]=2 377 B10R2.7 C1=CN=C2OCOC2=C1 1199AC [0,1,0,1,0,0|1,0,0]=3 378 B6R1.2 CC1=CNC=C1 W7383 [1,0,0,0,1,0|1,0,0]=3 379 B6R1.2 CC1=COC=C1 X5961 [1,0,0,0,1,0|1,0,0]=3 380 B6R1.2 FC1=CSC=C1 6051AL [1,0,0,0,1,0|2,0,0]=4 381 B6R1.2 NC1=CC=CS1 9727AA [1,0,0,0,1,0|2,0,0]=4 382 B6R1.2 NC1=CC=CS1 Y9627 [1,0,0,0,1,0|2,0,0]=4 383 B6R1.2 OC1=CC=CO1 X6571 [1,0,0,0,1,0|1,0,0]=3