0 B12R1.118 COC(CN)CC1=CC=CC=C1 1715AF [0,0,0,0,0,0|2,0,0]=2 1 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y7506 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.40 CC(C#N)NC1=CC=CC=C1 5308AJ [1,0,0,0,0,0|3,0,0]=4 3 B11R1.40 CC(CN)CC1=CC=CC=C1 2217AC [1,0,0,0,0,0|2,0,0]=3 4 B11R1.40 CC(CN)OC1=CC=CC=C1 Y9709 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.40 CNC(C)CC1=NC=CN=C1 3718AF [1,0,0,0,0,0|3,0,0]=4 6 B11R1.40 COC(=O)CC1=CC=CN=C1 7040AJ [1,0,0,0,0,0|1,0,2]=4 7 B13R1.145 CCN(CC)CC1=CC=C(N)C=C1 9815AB [0,1,0,0,0,0|3,0,0]=4 8 B13R1.145 COC(CC1=CC=C(C)C=C1)OC 0502AQ [0,1,0,0,0,0|0,0,0]=1 9 B13R1.145 COC(CC1=CC=C(F)C=C1)OC 0497AQ [0,1,0,0,0,0|0,0,0]=1 10 B13R1.145 COC(CC1=CC=C(N)C=C1)OC 5135AB [0,1,0,0,0,0|0,0,0]=1 11 B13R1.146 CCN(CC)CC1=CC=CC(Br)=C1 Z0469 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.146 COC(CC1=CC=CC(C)=C1)OC 0482AQ [0,1,0,0,0,0|0,0,0]=1 13 B13R1.335 CCN(CC)CC1=CC=CC=C1N 0294AD [0,1,0,0,0,0|3,0,0]=4 14 B13R1.335 COC(CC1=CC=CC=C1C)OC 1070AQ [0,1,0,0,0,0|0,0,0]=1 15 B13R1.3080 COP(=O)(CC1=CC=CC=C1)OC I556 [0,1,0,0,0,0|1,0,0]=2 16 B13R2.45 CCC1CC2=C(C=CC=C2)C1=O 1301AB [0,0,0,1,0,0|3,0,0]=4 17 B13R2.57 CNC1CCC2=CC=CC=C2C1 1367AB [0,0,0,1,0,0|2,0,0]=3 18 B13R2.57 NCC1CCC2=CC=CC=C2C1 4602AH [0,0,0,1,0,0|3,0,0]=4 19 B13R2.57 OCC1CC2=CC=CC=C2CN1 9556AB [0,0,0,1,0,0|3,0,0]=4 20 B11R1.12 CCC(CC)C1=NC=CC=C1 5008AL [0,0,0,0,1,0|3,0,0]=4 21 B11R1.12 CCC(CN)C1=CC=CC=C1 V4239 [0,0,0,0,1,0|3,0,0]=4 22 B11R1.12 CCC(NC)C1=CC=CC=C1 8595AL [0,0,0,0,1,0|2,0,0]=3 23 B11R1.12 CCC(NN)C1=CC=CC=C1 8342AH [0,0,0,0,1,0|3,0,0]=4 24 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 3045AC [0,0,0,0,1,0|3,0,0]=4 25 B11R1.12 CN[C@H](CO)C1=CC=CC=C1 7034AA [0,0,0,0,1,0|3,0,0]=4 26 B13R1.417 COC(COC1=CC=CC=C1)OC 4449AJ [0,0,0,0,0,1|0,0,0]=1 27 B10R1.17 CCCCC1=CC=CN=C1 X7086 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.17 CCCCC1=NC=CC=C1 S413 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.17 CNCCC1=CC=CN=C1 7424AH [2,0,0,0,0,0|2,0,0]=4 30 B10R1.17 CNCCC1=CC=NC=C1 5552AE [2,0,0,0,0,0|2,0,0]=4 31 B10R1.17 CNCCC1=CC=NC=C1 X8552 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.17 CNCCC1=CN=CC=C1 6627AD [2,0,0,0,0,0|2,0,0]=4 33 B10R1.17 COCCC1=NC=CC=C1 4987AL [2,0,0,0,0,0|1,0,0]=3 34 B10R1.18 CC(C)=CC1=CC=CC=C1 1982AC [2,0,0,0,0,0|0,0,2]=4 35 B10R1.18 CC(C)CC1=CC=CC=N1 9571AB [2,0,0,0,0,0|1,0,0]=3 36 B10R1.18 CC(C)CC1=CC=NC=C1 6191AJ [2,0,0,0,0,0|1,0,0]=3 37 B10R1.18 CC(C)CC1=NC=CN=C1 R582 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.18 CC(N)CC1=CC=CC=N1 4560AE [2,0,0,0,0,0|2,0,0]=4 39 B10R1.18 CC(O)CC1=CC=CC=N1 5034AE [2,0,0,0,0,0|1,0,0]=3 40 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 7881AA [2,0,0,0,0,0|0,0,0]=2 41 B10R1.18 C[C@H](O)CC1=CC=CC=C1 7611AA [2,0,0,0,0,0|0,0,0]=2 42 B12R1.43 CC(=O)C(C)CC1=CC=CC=C1 2082AB [1,1,0,0,0,0|1,0,0]=3 43 B12R1.49 CCC(C)OC1=CC=C(N)C=C1 6254AE [1,1,0,0,0,0|2,0,0]=4 44 B12R1.50 CCC(C)OC1=CC(N)=CC=C1 7479AE [1,1,0,0,0,0|2,0,0]=4 45 B12R1.13 COC(OC)C1=CC(N)=NC=C1 Y4571 [0,1,0,0,1,0|1,0,0]=3 46 B12R1.475 CCC(N)(CC)C1=CC=CC=C1 X8702 [0,1,0,0,1,0|2,0,0]=4 47 B14R1.529 COC(COC1=CC=C(Br)C=C1)OC 5940AJ [0,1,0,0,0,1|0,0,0]=2 48 B14R1.529 COC(CSC1=CC=C(Br)C=C1)OC X9275 [0,1,0,0,0,1|0,0,0]=2 49 B14R1.532 COC(OC)C(=O)NC1=CC=CC=C1 W9040 [0,1,0,0,0,1|0,0,1]=3 50 B14R1.547 COC(CNC1=CC(Cl)=NC=N1)OC 8882AH [0,1,0,0,0,1|2,0,0]=4 51 B14R1.494 CCOC(OCC)OC1=CC=CC=C1 7643AL [0,2,0,0,0,0|1,0,0]=3 52 B14R1.1031 CNC(CC1=CC=CC=C1)C(=O)OC 7561AH [0,2,0,0,0,0|1,0,0]=3 53 B14R1.1031 COC(=O)C(CN)CC1=CC=CC=C1 X3980 [0,2,0,0,0,0|2,0,0]=4 54 B14R1.6 COC1=CC=C(CC(OC)OC)C=C1 0501AQ [0,2,0,0,0,0|0,0,0]=2 55 B14R1.3136 COC1=CC=CC=C1CC(OC)OC 1063AQ [0,2,0,0,0,0|0,0,0]=2 56 B12R2.24 CN1CCC2=C(C=CC=C2)C1 8158AA [1,0,0,1,0,0|2,0,0]=4 57 B12R2.24 NC1CCC2=C(C=CC=C2)C1 W3803 [1,0,0,1,0,0|2,0,0]=4 58 B12R2.24 NC1CCC2=CC=CC=C2C1 3016AB [1,0,0,1,0,0|2,0,0]=4 59 B12R2.27 OCC1CC1C2=CC=CC=C2 9271AB [1,0,0,1,0,0|2,0,0]=4 60 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 7395AJ [1,0,0,1,0,0|2,0,0]=4 61 B12R2.32 CNC1CC2=CC=CC=C2C1 0955AA [1,0,0,1,0,0|1,0,0]=3 62 B12R2.32 NCC1CC2=C(C=CC=C2)C1 1348AJ [1,0,0,1,0,0|2,0,0]=4 63 B12R2.32 NCC1CC2=C(C=CC=C2)O1 0279AB [1,0,0,1,0,0|2,0,0]=4 64 B12R2.32 NCC1CC2=C(C=CC=C2)O1 0817AB [1,0,0,1,0,0|2,0,0]=4 65 B12R2.32 NNC1CC2=C(C=CC=C2)C1 0304AD [1,0,0,1,0,0|2,0,0]=4 66 B12R2.94 NC1(CC2=CC=CC=C2)CC1 8899AD [1,0,0,1,0,0|2,0,0]=4 67 B12R2.1 CNC1CCC2=C1C=CC=C2 4380AJ [0,0,0,1,1,0|2,0,0]=4 68 B12R2.2 C1=CC=C(C2CCCC2)C=C1 8394AE [0,0,0,1,1,0|2,0,0]=4 69 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 9247AJ [0,0,0,1,1,0|2,0,0]=4 70 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 9228AJ [0,0,0,1,1,0|2,0,0]=4 71 B14R2.101 C1=CC=C(CCC2CCCN2)C=C1 4774AH [0,0,0,1,0,1|2,0,0]=4 72 B14R2.6 C1=CC=C(CC2CNCCN2)C=C1 W8711 [0,1,0,1,0,0|2,0,0]=4 73 B14R2.30 O=C1CCCC1CC2=CC=CC=C2 2822AB [0,1,0,1,0,0|2,0,0]=4 74 B14R2.72 CC1=CC=C(CC2OCCO2)C=C1 3709AE [0,1,0,1,0,0|0,0,0]=2 75 B14R2.72 FC1=CC=C(CC2CCCN2)C=C1 4820AH [0,1,0,1,0,0|2,0,0]=4 76 B14R2.716 BrC1=CC=CC(CC2OCCO2)=C1 2938AC [0,1,0,1,0,0|0,0,0]=2 77 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 4800AJ [1,0,0,0,1,0|1,0,1]=4 78 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 4836AJ [1,0,0,0,1,0|1,0,1]=4 79 B10R1.15 CCC(Cl)C1=CC=CC=C1 1017AL [1,0,0,0,1,0|2,0,0]=4 80 B10R1.15 CCC(N)C1=CC=CC=C1 8188AD [1,0,0,0,1,0|2,0,0]=4 81 B10R1.15 C[C@H](CO)C1=CC=CC=C1 4835AB [1,0,0,0,1,0|2,0,0]=4 82 B10R1.15 OC(CBr)C1=CC=CC=C1 W4218 [1,0,0,0,1,0|2,0,0]=4 83 B10R1.9 COC(OC)C1=NC=CN1 2202AA [0,0,0,0,2,0|2,0,0]=4 84 B12R1.27 CC(CO)NCC1=CC=CC=C1 8255AE [1,0,0,0,0,1|2,0,0]=4 85 B12R1.27 CCC(O)C#CC1=CC=CC=C1 1009AQ [1,0,0,0,0,1|1,0,1]=4 86 B12R1.27 COC(=O)NCC1=CC=CC=C1 6020AE [1,0,0,0,0,1|0,0,2]=4