0 B7R1.1 BrCC1=CSC=N1 Y9346 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.1 BrCC1=NC=CS1 Y7403 [0,0,0,0,0,0|2,1,0]=3 2 B7R1.1 C#CC1=NC=CS1 Y5907 [0,0,0,0,0,0|1,1,2]=4 3 B7R1.1 C=CC1=NC=CN1 5965AB [0,0,0,0,0,0|2,0,2]=4 4 B7R1.1 CCN1C=NN=N1 Y5020 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.1 CNC1=CC=CS1 1494AC [0,0,0,0,0,0|1,1,0]=2 6 B7R1.1 COC1=CC=CN1 Y1596 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.1 COC1=COC=C1 W1886 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.1 COC1=NSC=C1 Z1859 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.1 ClCC1=CC=CO1 Z5545 [0,0,0,0,0,0|1,0,0]=1 10 B7R1.1 ClCC1=COC=C1 W3162 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.1 ClCC1=CSC=N1 9485AJ [0,0,0,0,0,0|3,0,0]=3 12 B7R1.1 ClCC1=NC=CN1 5437AB [0,0,0,0,0,0|3,0,0]=3 13 B7R1.1 NCC1=CN=CO1 Y4206 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.1 NCC1=NC=CO1 4279AC [0,0,0,0,0,0|2,0,0]=2 15 B7R1.1 NCC1=NN=CO1 1119AC [0,0,0,0,0,0|3,0,0]=3 16 B7R1.1 NCC1=NOC=N1 1943AC [0,0,0,0,0,0|4,0,0]=4 17 B7R1.1 NNC1=NC=CN1 8325AH [0,0,0,0,0,0|4,0,0]=4 18 B7R1.1 O=CC1=CC=NO1 8334AA [0,0,0,0,0,0|2,0,1]=3 19 B7R1.1 OCC1=CSC=N1 Y7005 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.1 OCC1=NNC=N1 8322AH [0,0,0,0,0,0|4,0,0]=4 21 B6R1.2 BrC1=CC=C[Se]1 7160AA [1,0,0,0,0,0|1,1,0]=3 22 B6R1.2 BrC1=CNC=C1 3908AC [1,0,0,0,0,0|3,0,0]=4 23 B6R1.2 CC1=NSC=C1 0717AC [1,0,0,0,0,0|2,0,0]=3 24 B6R1.2 CC1=[C-]CC=C1 Y1619 [1,0,0,0,0,0|1,0,1]=3 25 B6R1.2 CC1C=COC1 8769AA [1,0,0,0,0,0|2,0,1]=4 26 B6R1.2 ClC1=CNC=C1 X3741 [1,0,0,0,0,0|3,0,0]=4 27 B6R1.2 IC1=CC=CO1 Z5539 [1,0,0,0,0,0|1,0,0]=2 28 B6R1.2 NC1=CC=CS1 9765AB [1,0,0,0,0,0|1,1,0]=3 29 B6R1.2 NC1=CC=NN1 X3833 [1,0,0,0,0,0|3,0,0]=4 30 B6R1.2 NC1=CN=CO1 6270AC [1,0,0,0,0,0|2,0,0]=3 31 B6R1.2 NC1=CNC=C1 2960AB [1,0,0,0,0,0|3,0,0]=4 32 B6R1.2 NC1=COC=N1 2007AA [1,0,0,0,0,0|3,0,0]=4 33 B6R1.2 NC1=CSC=C1 W3870 [1,0,0,0,0,0|3,0,0]=4 34 B6R1.2 NC1=CSC=N1 Y1839 [1,0,0,0,0,0|3,0,0]=4 35 B6R1.2 O=C1C=CNC1 8696AB [1,0,0,0,0,0|3,0,0]=4 36 B6R1.2 O=C1CC=CN1 2602AB [1,0,0,0,0,0|2,0,1]=4 37 B6R1.2 OC1=CC=CS1 X5173 [1,0,0,0,0,0|1,1,0]=3 38 B6R1.2 [Mn]C1=CC=CC1 X6016 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.1 BrCC1=NC(Br)=NO1 3933AA [0,1,0,0,0,0|3,0,0]=4 40 B8R1.1 CC1=NC(CO)=CN1 6280AB [0,1,0,0,0,0|3,0,0]=4 41 B8R1.1 CC1=NC=C(CN)S1 8527AH [0,1,0,0,0,0|2,1,0]=4 42 B8R1.1 CC1=NN=C(CN)O1 X9622 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.1 CC1=NNC(CN)=C1 4748AJ [0,1,0,0,0,0|3,0,0]=4 44 B8R1.1 CCC1=CNC(N)=N1 2805AJ [0,1,0,0,0,0|2,0,0]=3 45 B8R1.1 CCC1=NN=C(O)O1 1883AE [0,1,0,0,0,0|2,0,0]=3 46 B8R1.1 CCN1C=C[N+](C)=C1 0694AP [0,1,0,0,0,0|3,0,0]=4 47 B8R1.1 CN1C=CC(CCl)=N1 Y4201 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.1 CSC1=CC=C(Br)S1 Z0912 [0,1,0,0,0,0|1,1,0]=3 49 B8R1.1 ClC1=CC=C([Mg]Br)S1 8222AJ [0,1,0,0,0,0|2,1,0]=4 50 B8R1.1 N#CC1=CC(Br)=CN1 4214AA [0,1,0,0,0,0|2,0,1]=4 51 B8R1.1 NCC1=CC(Br)=NO1 8995AD [0,1,0,0,0,0|2,0,0]=3 52 B8R1.7 CC(=O)C1=CC=NN1 9154AA [0,1,0,0,0,0|2,0,1]=4 53 B8R1.7 CC(C)C1=NN=CO1 7440AA [0,1,0,0,0,0|2,0,0]=3 54 B8R1.7 CC(N)C1=CN=CN1 9441AH [0,1,0,0,0,0|2,0,0]=3 55 B8R1.7 CC(N)C1=NNC=C1 Y5743 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.7 CC(O)C1=CC=CS1 2224AC [0,1,0,0,0,0|0,1,0]=2 57 B8R1.7 ClC(Cl)C1=NC=CO1 1688AJ [0,1,0,0,0,0|2,0,0]=3 58 B8R1.7 O=[N+]([O-])C1=CC=CO1 9109AB [0,1,0,0,0,0|2,0,0]=3 59 B8R1.7 OB(O)C1=NC=CO1 4717AC [0,1,0,0,0,0|3,0,0]=4 60 B8R1.8 CNCC1=CC=CO1 6487AB [0,1,0,0,0,0|0,0,0]=1 61 B8R1.8 CNCC1=NC=CN1 4098AE [0,1,0,0,0,0|2,0,0]=3 62 B8R1.8 ClCCC1=CNC=N1 6287AA [0,1,0,0,0,0|2,0,0]=3 63 B8R1.8 ClCCN1C=NC=N1 3602AB [0,1,0,0,0,0|3,0,0]=4 64 B8R1.8 NCCC1=NNC=C1 1009AJ [0,1,0,0,0,0|2,0,0]=3 65 B8R1.8 OCCN1C=NC=N1 0298AE [0,1,0,0,0,0|3,0,0]=4 66 B8R1.11 CC1=C(CN)SC=C1 0965AA [0,1,0,0,0,0|1,1,0]=3 67 B8R1.11 CCC1=NNC=C1Br Y5291 [0,1,0,0,0,0|2,0,0]=3 68 B8R1.11 CN1C=NC=C1CN Y9200 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.11 N#CC1=CC=CN1N W3457 [0,1,0,0,0,0|2,0,1]=4 70 B8R1.11 NCC1=C(Br)SC=C1 8484AH [0,1,0,0,0,0|3,0,0]=4 71 B6R0.1 C\C=C\C(C)CC 6598AL [0,0,1,0,0,0|1,0,2]=4 72 B6R0.9 C=CC(CC)CO 7511AB [0,0,1,0,0,0|2,0,1]=4 73 B8R2.55 C1=CC2(C=C1)CC2 1920AC [0,0,0,1,0,0|1,0,1]=3 74 B8R1.2 BrCC1=CN=CC=C1 0834AC [0,0,0,0,0,1|2,0,0]=3 75 B8R1.2 BrCC1=NC=CC=C1 8088AB [0,0,0,0,0,1|2,0,0]=3 76 B8R1.2 BrCC1=NC=CN=C1 Y9584 [0,0,0,0,0,1|2,0,0]=3 77 B8R1.2 CNC1=CC=CC=C1 7883AF [0,0,0,0,0,1|2,0,0]=3 78 B8R1.2 ClCC1=CN=CN=C1 0370AA [0,0,0,0,0,1|3,0,0]=4 79 B8R1.2 NCC1=CC=NN=C1 7280AB [0,0,0,0,0,1|3,0,0]=4 80 B8R1.2 NCC1=NC=CC=N1 Z1925 [0,0,0,0,0,1|2,0,0]=3 81 B8R1.2 NNC1=CC=CC=C1 5128AF [0,0,0,0,0,1|3,0,0]=4 82 B8R1.2 O=CC1=CC=NC=C1 7668AH [0,0,0,0,0,1|2,0,1]=4 83 B8R1.2 O=[IH2]C1=CC=CC=C1 X3757 [0,0,0,0,0,1|3,0,0]=4 84 B8R1.2 O[Hg]C1=CC=CC=C1 7647AF [0,0,0,0,0,1|3,0,0]=4 85 B5R0.1 C=CC[C@@H](C)O 1174AL [1,0,1,0,0,0|0,0,2]=4 86 B5R0.2 C=C\C=C\C=O Y1559 [1,0,1,0,0,0|0,0,2]=4 87 B5R0.2 C=C\C=C\CC 4582AL [1,0,1,0,0,0|0,0,0]=2 88 B5R0.2 CCO\C=C/Br 7961AD [1,0,1,0,0,0|1,0,0]=3 89 B5R0.2 OC\C=C\CCl Y3343 [1,0,1,0,0,0|1,0,1]=4 90 B5R0.3 C=CC(=O)CBr V2439 [1,0,1,0,0,0|1,0,1]=4 91 B5R0.3 C=CC(=O)CCl 0235AP [1,0,1,0,0,0|1,0,1]=4 92 B7R0.3 C=CCOC(=O)CC 7475AF [0,1,1,0,0,0|1,0,0]=3 93 B7R0.3 C=CCOC(=S)CC U627 [0,1,1,0,0,0|1,0,0]=3 94 B7R0.3 CCC(=O)\C=C\C=O Z6191 [0,1,1,0,0,0|0,0,1]=3 95 B7R0.3 COC(=O)\C=C\C=O 1381AC [0,1,1,0,0,0|1,0,1]=4 96 B7R0.1 C=CCOCCOC 9825AA [0,1,1,0,0,0|0,0,2]=4 97 B7R1.2 C=C1C=CC(=O)O1 1661AA [1,1,0,0,0,0|0,0,1]=3 98 B7R1.2 CC1=COC(C)=C1 Y6577 [1,1,0,0,0,0|0,0,0]=2 99 B7R1.2 CC1=NC(N)=CO1 7684AA [1,1,0,0,0,0|1,0,0]=3 100 B7R1.2 ClC1=CC=C(Cl)O1 Z5526 [1,1,0,0,0,0|1,0,0]=3 101 B7R1.2 NC1=CC=C(Cl)S1 X8823 [1,1,0,0,0,0|1,1,0]=4 102 B7R1.2 NC1=NC=C(Cl)O1 3170AJ [1,1,0,0,0,0|2,0,0]=4 103 B7R1.4 CC1=C(Br)OC=C1 Z5551 [1,1,0,0,0,0|1,0,0]=3 104 B7R1.4 CC1=C(C)SC=C1 Z5548 [1,1,0,0,0,0|0,1,0]=3 105 B7R1.4 CC1=C(S)CCO1 R544 [1,1,0,0,0,0|0,0,2]=4 106 B7R1.4 NC1=CCOC1=O 3957AB [1,1,0,0,0,0|1,0,1]=4 107 B7R1.4 O=C1OCC=C1Br 1872AC [1,1,0,0,0,0|1,0,1]=4 108 B9R1.1 CC1=CC=C(CN)C=N1 Y9493 [0,1,0,0,0,1|2,0,0]=4 109 B9R1.1 CC1=CC=C(CN)N=N1 0211AA [0,1,0,0,0,1|2,0,0]=4 110 B9R1.1 CC1=CN=C(CCl)C=C1 1952AC [0,1,0,0,0,1|2,0,0]=4 111 B9R1.1 CC1=NC=C(CBr)C=C1 2397AC [0,1,0,0,0,1|2,0,0]=4 112 B9R1.1 CCC1=CC=C(Br)N=N1 7660AA [0,1,0,0,0,1|1,0,0]=3 113 B9R1.1 CCC1=CN=C(C)C=C1 6769AL [0,1,0,0,0,1|1,0,0]=3 114 B9R1.1 COC1=NC=C(C)N=C1 2866AB [0,1,0,0,0,1|2,0,0]=4 115 B9R1.1 CSC1=CN=C(F)C=C1 Y3574 [0,1,0,0,0,1|2,0,0]=4 116 B9R1.1 CSC1=NC=C(C)N=C1 2880AB [0,1,0,0,0,1|2,0,0]=4 117 B9R1.1 NC1=CC=C(CCl)N=C1 5924AH [0,1,0,0,0,1|2,0,0]=4 118 B9R1.1 NCC1=NC=C(F)C=C1 Y2001 [0,1,0,0,0,1|2,0,0]=4 119 B9R1.2 CCC1=CC=C[N+]([O-])=C1 7429AA [0,1,0,0,0,1|1,0,0]=3 120 B9R1.2 CCC1=NC(C)=CN=C1 R550 [0,1,0,0,0,1|1,0,0]=3 121 B9R1.2 CNC1=NC(=O)NC=C1 Z2895 [0,1,0,0,0,1|2,0,0]=4 122 B9R1.2 CNC1=NC=CC(I)=C1 Z1369 [0,1,0,0,0,1|2,0,0]=4 123 B9R1.2 CSC1=CC(F)=NC=C1 Z1346 [0,1,0,0,0,1|2,0,0]=4 124 B9R1.2 CSC1=NC=CC(=S)N1 Z2594 [0,1,0,0,0,1|2,0,0]=4 125 B9R1.2 NCC1=CC(=O)NC=C1 5769AA [0,1,0,0,0,1|2,0,0]=4 126 B9R1.2 NCC1=NC=CC(F)=N1 8778AH [0,1,0,0,0,1|2,0,0]=4 127 B9R1.2 OC1=NC(CCl)=NC=C1 Y3173 [0,1,0,0,0,1|2,0,0]=4 128 B9R1.6 CC(=O)C1=CC=NC=C1 7859AF [0,1,0,0,0,1|1,0,1]=4 129 B9R1.6 CC(C)C1=NC=CN=C1 R572 [0,1,0,0,0,1|1,0,0]=3 130 B9R1.6 CC(I)C1=CC=CC=C1 7383AJ [0,1,0,0,0,1|1,0,0]=3 131 B9R1.6 CN(C)C1=CC=NC=C1 5677AH [0,1,0,0,0,1|2,0,0]=4 132 B9R1.6 CN(N)C1=CC=CC=C1 7753AF [0,1,0,0,0,1|2,0,0]=4 133 B9R1.6 CN(N)C1=CC=CC=C1 7754AF [0,1,0,0,0,1|2,0,0]=4 134 B9R1.6 C[PH](=O)C1=CC=CC=C1 0011AB [0,1,0,0,0,1|2,0,0]=4 135 B9R1.8 CCCC1=CN=CC=C1 6392AB [0,1,0,0,0,1|1,0,0]=3 136 B9R1.8 C\C=C\C1=NC=CC=C1 Y6273 [0,1,0,0,0,1|1,0,1]=4 137 B9R1.15 CCC1=C(C)C=CN=C1 R348 [0,1,0,0,0,1|1,0,0]=3 138 B9R1.15 CCC1=C(F)C=NC=C1 6558AA [0,1,0,0,0,1|1,0,0]=3 139 B9R1.15 CCC1=CC=CN=C1C X8230 [0,1,0,0,0,1|1,0,0]=3 140 B9R1.15 CCC1=CN=CNC1=O 3205AJ [0,1,0,0,0,1|2,0,0]=4 141 B9R1.15 CNC1=NC=CC=C1I Y3706 [0,1,0,0,0,1|2,0,0]=4 142 B9R1.15 CSC1=C(Br)C=CN=C1 Z1487 [0,1,0,0,0,1|2,0,0]=4 143 B9R1.15 CSC1=CC=CN=C1Cl Z0760 [0,1,0,0,0,1|2,0,0]=4 144 B9R1.15 FC1=C(CBr)C=CN=C1 Y7275 [0,1,0,0,0,1|2,0,0]=4 145 B9R1.15 FC1=C(CBr)N=CC=C1 4239AA [0,1,0,0,0,1|2,0,0]=4 146 B9R1.15 OCC1=C(O)C=NC=C1 W7832 [0,1,0,0,0,1|2,0,0]=4 147 B9R1.7 CCCC1=CC(N)=NN1 Y7343 [0,2,0,0,0,0|2,0,0]=4 148 B9R1.7 CCCC1=CN=C(Br)O1 Y3059 [0,2,0,0,0,0|1,0,0]=3 149 B9R1.7 CCOC1=NC=C(Br)S1 Y6999 [0,2,0,0,0,0|1,1,0]=4 150 B9R1.7 CNCC1=CC(C)=NO1 Y9016 [0,2,0,0,0,0|1,0,0]=3 151 B9R1.7 NCCC1=CC=C(Br)S1 4915AB [0,2,0,0,0,0|0,1,0]=3 152 B9R1.7 NCCC1=CC=C(Cl)S1 1212AJ [0,2,0,0,0,0|0,1,0]=3 153 B9R1.7 O=C1CC=C(CCO)O1 3979AC [0,2,0,0,0,0|0,0,1]=3 154 B9R1.21 CCC1=NC=C(CO)N1 1332AC [0,2,0,0,0,0|2,0,0]=4 155 B9R1.21 COC1=CC=C(OC)O1 9364AJ [0,2,0,0,0,0|1,0,0]=3 156 B9R1.21 CSC1=CC(C=O)=CS1 Z0992 [0,2,0,0,0,0|1,1,0]=4 157 B9R1.21 ClCC1=CC=C(CCl)S1 2808AB [0,2,0,0,0,0|1,1,0]=4 158 B9R1.21 N#CC1=CC=C(CN)O1 3082AJ [0,2,0,0,0,0|1,0,0]=3 159 B9R1.21 N#CC1=COC(CN)=C1 2979AJ [0,2,0,0,0,0|1,0,0]=3 160 B9R1.21 O=CC1=CC(CO)=CO1 Y6573 [0,2,0,0,0,0|1,0,1]=4 161 B9R1.21 O=CC1=COC(C=O)=C1 Y6580 [0,2,0,0,0,0|1,0,1]=4 162 B9R1.11 CCC(N)C1=CC=CS1 7066AE [0,2,0,0,0,0|0,1,0]=3 163 B9R1.11 C\C(=N/O)C1=CC=CO1 4345AE [0,2,0,0,0,0|0,0,1]=3 164 B9R1.11 C\C(=N/O)C1=CC=CO1 4346AE [0,2,0,0,0,0|0,0,1]=3 165 B9R1.11 C\C(=N/O)C1=CC=CS1 6597AD [0,2,0,0,0,0|0,1,1]=4 166 B9R1.11 NCC(O)C1=CC=CS1 9385AJ [0,2,0,0,0,0|0,1,0]=3 167 B9R1.11 NCC(O)C1=CSC=C1 9386AJ [0,2,0,0,0,0|2,0,0]=4 168 B9R1.19 CC(C)(C)C1=CC=CC1 5719AB [0,2,0,0,0,0|1,0,0]=3 169 B9R1.41 CC(=O)C1=C(Cl)C=CS1 4837AC [0,2,0,0,0,0|0,1,1]=4 170 B9R1.41 CC1=C([N+](=O)[O-])OC=C1 Z5516 [0,2,0,0,0,0|2,0,0]=4 171 B9R1.41 [O-]B(O)C1=C(Br)C=CO1 Y2493 [0,2,0,0,0,0|2,0,0]=4 172 B9R1.12 O=C=NCC1=CC=CO1 8553AE [0,2,0,0,0,0|0,0,1]=3 173 B9R1.12 S=COCC1=CC=CO1 M512 [0,2,0,0,0,0|0,0,1]=3 174 B9R1.13 CC(N)CC1=CC=CN1 9883AH [0,2,0,0,0,0|1,0,0]=3 175 B9R1.13 CC(N)CC1=CC=CS1 3185AB [0,2,0,0,0,0|0,1,0]=3 176 B9R1.13 CC(N)CC1=CNC=N1 1005AJ [0,2,0,0,0,0|2,0,0]=4 177 B9R1.13 C[C@@H](N)CC1=CNC=N1 4491AJ [0,2,0,0,0,0|2,0,0]=4 178 B9R1.13 C[C@H](N)CC1=CNC=N1 8564AH [0,2,0,0,0,0|2,0,0]=4 179 B9R1.33 CNCC1=CN=CN1C Y8946 [0,2,0,0,0,0|2,0,0]=4 180 B9R1.14 CCC1=NNC=C1C=O Y5289 [0,2,0,0,0,0|2,0,0]=4 181 B9R1.14 CSC1=C(C=O)C=CS1 Z0839 [0,2,0,0,0,0|1,1,0]=4 182 B7R1.3 OC1=CC=CC=C1 8781AL [0,0,1,1,0,0|0,0,2]=4 183 B7R1.3 OC1CC=CCC1 Y4155 [0,0,1,1,0,0|0,0,2]=4 184 B7R1.24 C1=CCCCC=C1 5492AB [0,0,1,1,0,0|1,0,0]=3 185 B9R2.3 C1=C2CNCC2=CS1 3034AJ [0,1,0,1,0,0|2,0,0]=4 186 B9R2.3 C1=NC2=C(CNC2)N1 X3576 [0,1,0,1,0,0|2,0,0]=4 187 B9R2.3 C1=NC2=C(CNC2)S1 3032AJ [0,1,0,1,0,0|1,1,0]=4 188 B9R2.3 C1=NC2=C(CNC2)S1 3033AJ [0,1,0,1,0,0|1,1,0]=4 189 B9R2.3 C1=NNC2=C1CCC2 1521AL [0,1,0,1,0,0|2,0,0]=4