0 B7R1.4 CC1=C(Br)OC=C1 Z5551 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.4 CC1=C(C)SC=C1 Z5548 [0,0,0,0,0,0|1,1,0]=2 2 B7R1.4 CC1=C(S)CCO1 R544 [0,0,0,0,0,0|0,0,2]=2 3 B7R1.4 CC1=CSN=C1Br 2193AJ [0,0,0,0,0,0|4,0,0]=4 4 B7R1.4 CN1C=CN=C1F 0253AC [0,0,0,0,0,0|4,0,0]=4 5 B7R1.4 NC1=CCOC1=O 3957AB [0,0,0,0,0,0|2,0,1]=3 6 B7R1.4 O=C1OCC=C1Br 1872AC [0,0,0,0,0,0|2,0,1]=3 7 B7R1.4 O=C1O[Ba]OC1=O 6788AF [0,0,0,0,0,0|3,1,0]=4 8 B7R1.4 O=C1O[Ca]OC1=O 6793AF [0,0,0,0,0,0|3,1,0]=4 9 B7R1.4 O=C1O[Cu]OC1=O 6805AF [0,0,0,0,0,0|3,1,0]=4 10 B7R1.4 O=C1O[Mn]OC1=O 6901AF [0,0,0,0,0,0|3,1,0]=4 11 B7R1.4 O=C1O[PbH2]OC1=O Z1767 [0,0,0,0,0,0|3,1,0]=4 12 B7R1.4 O=C1O[Sr]OC1=O 6917AF [0,0,0,0,0,0|3,1,0]=4 13 B7R1.4 O=C1O[Zn]OC1=O 6920AF [0,0,0,0,0,0|3,1,0]=4 14 B6R1.2 BrC1=CC=C[Se]1 7160AA [1,0,0,0,0,0|1,1,0]=3 15 B6R1.2 BrC1=CNC=C1 3908AC [1,0,0,0,0,0|2,0,0]=3 16 B6R1.2 CC1=NSC=C1 0717AC [1,0,0,0,0,0|2,0,0]=3 17 B6R1.2 CC1=[C-]CC=C1 Y1619 [1,0,0,0,0,0|1,0,1]=3 18 B6R1.2 CC1C=COC1 8769AA [1,0,0,0,0,0|1,0,2]=4 19 B6R1.2 ClC1=CNC=C1 X3741 [1,0,0,0,0,0|2,0,0]=3 20 B6R1.2 IC1=CC=CO1 Z5539 [1,0,0,0,0,0|1,0,0]=2 21 B6R1.2 NC1=CC=CS1 9765AB [1,0,0,0,0,0|1,1,0]=3 22 B6R1.2 NC1=CC=NN1 X3833 [1,0,0,0,0,0|3,0,0]=4 23 B6R1.2 NC1=CN=CO1 6270AC [1,0,0,0,0,0|2,0,0]=3 24 B6R1.2 NC1=CNC=C1 2960AB [1,0,0,0,0,0|2,0,0]=3 25 B6R1.2 NC1=COC=N1 2007AA [1,0,0,0,0,0|2,0,0]=3 26 B6R1.2 NC1=CSC=C1 W3870 [1,0,0,0,0,0|1,1,0]=3 27 B6R1.2 NC1=CSC=N1 Y1839 [1,0,0,0,0,0|2,1,0]=4 28 B6R1.2 NC1=NON=C1 1361AC [1,0,0,0,0,0|3,0,0]=4 29 B6R1.2 O=C1C=CNC1 8696AB [1,0,0,0,0,0|1,1,1]=4 30 B6R1.2 O=C1CC=CN1 2602AB [1,0,0,0,0,0|2,0,1]=4 31 B6R1.2 OC1=CC=CS1 X5173 [1,0,0,0,0,0|1,1,0]=3 32 B6R1.2 [Mn]C1=CC=CC1 X6016 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.11 CC1=C(CN)SC=C1 0965AA [0,1,0,0,0,0|1,1,0]=3 34 B8R1.11 CCC1=NNC=C1Br Y5291 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.11 NCC1=C(Br)SC=C1 8484AH [0,1,0,0,0,0|2,1,0]=4 36 B8R1.18 CC1=CC(C)=C(C)S1 Z5478 [0,1,0,0,0,0|1,1,0]=3 37 B8R1.18 CC1=NN(C)C(Cl)=C1 5331AE [0,1,0,0,0,0|3,0,0]=4 38 B8R1.18 ClC1=CC(Cl)=C(Cl)S1 Z2433 [0,1,0,0,0,0|2,1,0]=4 39 B8R1.50 BrC1=CSC(Br)=C1Br 9961AD [0,1,0,0,0,0|2,1,0]=4 40 B8R1.50 CC1=C(O)C(=O)CC1 5650AL [0,1,0,0,0,0|1,1,1]=4 41 B8R1.50 CC1=CSC(Br)=C1Br 4753AA [0,1,0,0,0,0|2,1,0]=4 42 B8R1.50 CC1=NC=C(N)N1C Y2099 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.50 CC1=NNC(N)=C1Cl 5535AA [0,1,0,0,0,0|3,0,0]=4 44 B6R0.3 C=C(C)C(=O)OC P536 [0,0,1,0,0,0|2,0,1]=4 45 B6R0.3 C=CC(N)C(=O)O 7462AB [0,0,1,0,0,0|2,0,1]=4 46 B6R0.3 C=C[C@H](N)C(=O)O 1008AC [0,0,1,0,0,0|2,0,1]=4 47 B8R1.4 BrC1=CC(Br)=NC=C1 4920AH [0,0,0,0,0,1|3,0,0]=4 48 B8R1.4 CC1=CC(Br)=CC=N1 2699AJ [0,0,0,0,0,1|2,0,0]=3 49 B8R1.4 FC1=CC=CC(F)=N1 9031AJ [0,0,0,0,0,1|3,0,0]=4 50 B8R1.4 NC1=CC=NC(=O)N1 9012AB [0,0,0,0,0,1|3,0,0]=4 51 B8R1.4 NC1=NC(=O)C=CN1 5499AL [0,0,0,0,0,1|2,1,0]=4 52 B8R1.4 OC1=CC=CC(O)=C1 O780 [0,0,0,0,0,1|2,1,0]=4 53 B8R1.4 OC1=CC=CC(O)=N1 5119AF [0,0,0,0,0,1|2,1,0]=4 54 B8R1.5 CC1=C(Br)C=CN=C1 N224 [0,0,0,0,0,1|2,0,0]=3 55 B8R1.5 CC1=C(Br)N=NC=C1 6897AA [0,0,0,0,0,1|3,0,0]=4 56 B8R1.5 ClC1=CC=CC=C1Cl 9816AF [0,0,0,0,0,1|3,0,0]=4 57 B8R1.5 NC1=C(F)C=CN=C1 Y6940 [0,0,0,0,0,1|3,0,0]=4 58 B8R1.5 NC1=C(S)C=NC=C1 7377AB [0,0,0,0,0,1|2,0,0]=3 59 B8R1.5 NC1=CC=CN=C1Cl 1676AJ [0,0,0,0,0,1|3,0,0]=4 60 B8R1.5 NC1=CN=CC=C1Br 2730AJ [0,0,0,0,0,1|3,0,0]=4 61 B8R1.5 OC1=C(Br)C=NC=N1 W4195 [0,0,0,0,0,1|3,0,0]=4 62 B8R1.5 OC1=C(F)C=CN=C1 1350AA [0,0,0,0,0,1|2,1,0]=4 63 B5R0.1 C=CC[C@@H](C)O 1174AL [1,0,1,0,0,0|0,0,2]=4 64 B5R0.2 C=C\C=C\C=O Y1559 [1,0,1,0,0,0|0,0,2]=4 65 B5R0.2 C=C\C=C\CC 4582AL [1,0,1,0,0,0|1,0,1]=4 66 B5R0.2 CCO\C=C/Br 7961AD [1,0,1,0,0,0|1,0,1]=4 67 B5R0.2 CO\C=C\C#N P738 [1,0,1,0,0,0|1,0,1]=4 68 B7R0.4 C\C=C\COC(C)=O 7476AF [0,1,1,0,0,0|1,0,1]=4 69 B7R1.1 BrCC1=CSC=N1 Y9346 [1,1,0,0,0,0|2,0,0]=4 70 B7R1.1 BrCC1=NC=CS1 Y7403 [1,1,0,0,0,0|1,1,0]=4 71 B7R1.1 CNC1=CC=CS1 1494AC [1,1,0,0,0,0|0,1,0]=3 72 B7R1.1 COC1=CC=CN1 Y1596 [1,1,0,0,0,0|1,0,0]=3 73 B7R1.1 COC1=COC=C1 W1886 [1,1,0,0,0,0|0,1,0]=3 74 B7R1.1 COC1=NSC=C1 Z1859 [1,1,0,0,0,0|2,0,0]=4 75 B7R1.1 ClCC1=CC=CO1 Z5545 [1,1,0,0,0,0|0,0,0]=2 76 B7R1.1 ClCC1=COC=C1 W3162 [1,1,0,0,0,0|1,0,0]=3 77 B7R1.1 ClCC1=CSC=N1 9485AJ [1,1,0,0,0,0|2,0,0]=4 78 B7R1.1 ClCC1=NC=CN1 5437AB [1,1,0,0,0,0|2,0,0]=4 79 B7R1.1 NCC1=CN=CO1 Y4206 [1,1,0,0,0,0|1,0,0]=3 80 B7R1.1 NCC1=NC=CO1 4279AC [1,1,0,0,0,0|1,0,0]=3 81 B7R1.1 NCC1=NN=CO1 1119AC [1,1,0,0,0,0|2,0,0]=4 82 B7R1.1 O=CC1=CC=NO1 8334AA [1,1,0,0,0,0|1,0,1]=4 83 B7R1.1 OCC1=CSC=N1 Y7005 [1,1,0,0,0,0|2,0,0]=4 84 B7R1.2 C=C1C=CC(=O)O1 1661AA [1,1,0,0,0,0|0,0,1]=3 85 B7R1.2 CC1=COC(C)=C1 Y6577 [1,1,0,0,0,0|0,0,0]=2 86 B7R1.2 CC1=NC(N)=CO1 7684AA [1,1,0,0,0,0|1,0,0]=3 87 B7R1.2 ClC1=CC=C(Cl)O1 Z5526 [1,1,0,0,0,0|1,0,0]=3 88 B7R1.2 NC1=CC=C(Cl)S1 X8823 [1,1,0,0,0,0|1,1,0]=4 89 B7R1.2 NC1=NC=C(Cl)O1 3170AJ [1,1,0,0,0,0|2,0,0]=4 90 B7R1.15 O=C1C=C([O-])C1=O 8854AJ [0,1,0,0,1,0|1,1,0]=4 91 B9R1.2 CC1=CC(NN)=CC=C1 7665AB [0,1,0,0,0,1|2,0,0]=4 92 B9R1.2 CNC1=NC=CC(I)=C1 Z1369 [0,1,0,0,0,1|2,0,0]=4 93 B9R1.2 CSC1=CC(F)=NC=C1 Z1346 [0,1,0,0,0,1|2,0,0]=4 94 B9R1.2 CSC1=NC=CC(=S)N1 Z2594 [0,1,0,0,0,1|1,0,1]=4 95 B9R1.2 NCC1=NC=CC(F)=N1 8778AH [0,1,0,0,0,1|2,0,0]=4 96 B9R1.2 OC1=NC(CCl)=NC=C1 Y3173 [0,1,0,0,0,1|1,1,0]=4 97 B9R1.3 CC1=NC=CC(Br)=C1O 4340AA [0,1,0,0,0,1|2,0,0]=4 98 B9R1.34 CC1=CC(C)=NC(C)=C1 8913AL [0,1,0,0,0,1|2,0,0]=4 99 B9R1.34 CC1=CC(I)=CC(C)=N1 2841AJ [0,1,0,0,0,1|2,0,0]=4 100 B9R1.34 CC1=CC(O)=CC(=O)N1 7748AJ [0,1,0,0,0,1|1,1,0]=4 101 B9R1.34 CC1=CC(O)=CC(F)=N1 X2038 [0,1,0,0,0,1|1,1,0]=4 102 B9R1.34 NC1=NC(N)=NC(S)=C1 Y4929 [0,1,0,0,0,1|2,0,0]=4 103 B9R1.69 CC1=CC(N)=C(N)C=N1 3453AC [0,1,0,0,0,1|2,0,0]=4 104 B9R1.69 CC1=CC=C(C)C(C)=N1 7915AF [0,1,0,0,0,1|2,0,0]=4 105 B9R1.69 CC1=CC=C(F)N=C1C Y3886 [0,1,0,0,0,1|2,0,0]=4 106 B9R1.69 CC1=NC=C(Cl)C(Cl)=C1 X3720 [0,1,0,0,0,1|2,0,0]=4 107 B9R1.69 NC1=C(S)C=C(Br)C=C1 1980AL [0,1,0,0,0,1|2,0,0]=4 108 B9R1.15 CC1=C(NN)C=CC=C1 1069AL [0,1,0,0,0,1|2,0,0]=4 109 B9R1.15 CC1=C(NN)C=CC=N1 8099AA [0,1,0,0,0,1|2,0,0]=4 110 B9R1.15 CCC1=C(C)C=CN=C1 R348 [0,1,0,0,0,1|2,0,0]=4 111 B9R1.15 CCC1=C(F)C=NC=C1 6558AA [0,1,0,0,0,1|2,0,0]=4 112 B9R1.15 CCC1=CC=CN=C1C X8230 [0,1,0,0,0,1|2,0,0]=4 113 B9R1.15 CNC1=NC=CC=C1I Y3706 [0,1,0,0,0,1|2,0,0]=4 114 B9R1.15 CSC1=C(Br)C=CN=C1 Z1487 [0,1,0,0,0,1|2,0,0]=4 115 B9R1.15 CSC1=CC=CN=C1Cl Z0760 [0,1,0,0,0,1|2,0,0]=4 116 B9R1.15 FC1=C(CBr)C=CN=C1 Y7275 [0,1,0,0,0,1|2,0,0]=4 117 B9R1.15 FC1=C(CBr)N=CC=C1 4239AA [0,1,0,0,0,1|2,0,0]=4 118 B9R1.15 N#CC1=C(S)C=CC=C1 Y1771 [0,1,0,0,0,1|1,0,1]=4 119 B9R1.15 OCC1=C(O)C=NC=C1 W7832 [0,1,0,0,0,1|1,1,0]=4 120 B9R1.14 CSC1=C(C=O)C=CS1 Z0839 [0,2,0,0,0,0|0,2,0]=4 121 B9R1.22 CC1=NC(CN)=C(C)O1 Y4347 [0,2,0,0,0,0|2,0,0]=4 122 B9R1.41 CC(=O)C1=C(Cl)C=CS1 4837AC [0,2,0,0,0,0|1,1,0]=4 123 B9R1.41 CC1=C([N+](=O)[O-])OC=C1 Z5516 [0,2,0,0,0,0|2,0,0]=4 124 B9R1.41 [O-]B(O)C1=C(Br)C=CO1 Y2493 [0,2,0,0,0,0|2,0,0]=4 125 B9R1.37 CC1OC(=O)C(O)=C1O 1519AE [0,2,0,0,0,0|0,1,1]=4 126 B9R2.3 C1=CC2=C(N=CS2)N1 3070AB [0,1,0,1,0,0|1,0,1]=4