0 B12R1.71 C=CCCC1=CC=C(OC)C=C1 AC5393 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.71 C=CCOC1=CC=C(OC)C=C1 W18721 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.71 COC1=CC=C(CCC=O)C=C1 C15265 [0,0,0,0,0,0|0,0,2]=2 3 B12R1.71 COC1=CC=C(CCCI)C=C1 C77768 [0,0,0,0,0,0|1,0,3]=4 4 B12R1.71 COC1=CC=C(NCCN)C=C1 AC5715 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.1 C=C\C=C\C1=CC=C(F)C=C1 59824 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.1 ClC1=CC=C(\C=C\CBr)C=C1 72674 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.1 O=CNCC1=CC=C(Cl)C=C1 AB6809 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 AT26502 [1,0,0,0,0,0|1,0,2]=4 9 B11R1.83 [C-]#[N+]CC1=CC=C(OC)C=C1 AB1475 [1,0,0,0,0,0|1,0,2]=4 10 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 F16131 [0,1,0,0,0,0|0,0,2]=3 11 B13R1.3 O=C(O)\C=C\C1=CC=C(CO)C=C1 44458 [0,1,0,0,0,0|2,0,0]=3 12 B13R1.3 O=CC1=CC=C(\C=C\C(=O)O)C=C1 D87889 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.5 COC1=CC=C(\C=C(/C)C=O)C=C1 F15127 [0,1,0,0,0,0|0,0,0]=1 14 B13R1.74 CN(C)C1=CC=C(\C=C\C#N)C=C1 T70775 [0,1,0,0,0,0|2,0,1]=4 15 B13R1.452 C=CC[C@H](O)C1=CC=C(OC)C=C1 W18879 [0,1,0,0,0,0|1,0,2]=4 16 B13R1.452 COC1=CC=C(\C(Cl)=C\C#N)C=C1 32322 [0,1,0,0,0,0|1,0,1]=3 17 B13R2.57 BrCC1=CC2=NC=CC=C2C=C1 AT24126 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.57 COC1=CC2=NC=NC=C2C=C1 76421 [0,0,0,1,0,0|2,0,0]=3 19 B13R2.57 CSC1=NC2=CC=CC=C2C=C1 H11532 [0,0,0,1,0,0|2,1,0]=4 20 B13R2.57 ClCC1=CC2=NC=CC=C2C=C1 AT24125 [0,0,0,1,0,0|3,0,0]=4 21 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 F21338 [0,0,0,1,0,0|3,0,0]=4 22 B13R2.57 OCC1=CC2=NC=CC=C2C=C1 AT24124 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.669 CCC1=CC2=C(C=C1)OCC2=O AC6735 [0,0,0,1,0,0|2,0,1]=4 24 B13R2.669 COC1=CC2=C(Br)C=NN2C=C1 51014 [0,0,0,1,0,0|3,0,0]=4 25 B13R2.669 COC1=CC2=C(C=C1)NN=C2I 75851 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.669 COC1=CC2=C(C=C1)OC=C2Br C74713 [0,0,0,1,0,0|2,0,0]=3 27 B13R2.669 COC1=CC2=C(C=C1)OC=C2C 82257 [0,0,0,1,0,0|2,0,0]=3 28 B13R2.669 COC1=CC2=C(C=C1)ON=C2Cl AT10780 [0,0,0,1,0,0|3,0,0]=4 29 B13R2.669 COC1=CC2=C(C=C1)ONC2=O D78696 [0,0,0,1,0,0|2,0,0]=3 30 B13R2.669 COC1=CC2=C(C=C1)SC=C2C AC9273 [0,0,0,1,0,0|2,0,0]=3 31 B10R1.1 CC1=CC=C(\C=N\O)C=C1 AC8737 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.1 CC1=NC=C(\C=C\Br)C=C1 F50214 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.1 N\N=C\C1=CC=C(O)C=C1 F15571 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.1 O=CNC1=CC=C(F)C=C1 F21300 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [2,0,0,0,0,0|1,0,1]=4 36 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [2,0,0,0,0,0|1,0,1]=4 37 B10R1.17 O=C\C=C\C1=CC=NC=C1 T72403 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.3 C=CC1=CC=C(C#N)C=C1 D76989 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.3 C=CC1=CN=C(OC)C=C1 P11583 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.3 CCC1=CN=C(C=O)C=C1 C74094 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.3 CSC1=NC=C(C=O)C=C1 54709 [2,0,0,0,0,0|1,1,0]=4 42 B10R1.3 NCC1=CC=C(C=O)C=C1 N13169 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 AT23890 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 D77831 [1,1,0,0,0,0|0,0,2]=4 45 B12R1.21 CC1=CC=C(\C=C\C(N)=O)C=C1 H11524 [1,1,0,0,0,0|0,0,0]=2 46 B12R1.21 O=C(O)CSC1=CC=C(O)C=C1 AT20930 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.49 C=CC(=O)NC1=CC=C(C)C=C1 N11698 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.385 O=C\C=C\C1=CC(F)=C(F)C=C1 43886 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 S12245 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.5 C=C[C@H](N)C1=CC=C(CC)C=C1 N15274 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.5 C=C[C@H](N)C1=CC=C(CC)C=C1 N15275 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.5 C=C[C@H](N)C1=CC=C(CC)C=C1 N15276 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.5 C=C[C@H](N)C1=CC=C(OC)C=C1 N15289 [1,1,0,0,0,0|0,0,1]=3 54 B12R1.5 C=C[C@H](N)C1=CC=C(OC)C=C1 N15290 [1,1,0,0,0,0|0,0,1]=3 55 B12R1.5 C=C[C@H](N)C1=CC=C(OC)C=C1 N15291 [1,1,0,0,0,0|0,0,1]=3 56 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 23929 [1,1,0,0,0,0|1,0,0]=3 57 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 76157 [1,1,0,0,0,0|0,0,0]=2 58 B12R1.5 COC1=CC=C(C(=O)CO)C=C1 AC6103 [1,1,0,0,0,0|0,0,2]=4 59 B14R1.3 COC1=CC=C(C[C@H](C)C(=O)O)C=C1 D71902 [0,2,0,0,0,0|0,0,2]=4 60 B14R1.103 COC1=CC(C)=C(CCC(=O)O)C=C1 F52913 [0,2,0,0,0,0|0,0,2]=4 61 B14R1.103 COC1=CC(Cl)=C(\C=C\C(=O)O)C=C1 75499 [0,2,0,0,0,0|0,0,0]=2 62 B14R1.103 COC1=CC(O)=C(C=CC(=O)O)C=C1 D87966 [0,2,0,0,0,0|0,0,0]=2 63 B14R1.419 O=C(Cl)\C=C\C1=CC=C([N+](=O)[O-])C=C1 F21275 [0,2,0,0,0,0|2,0,0]=4 64 B14R1.954 C\C=C\C(C)=C\C1=CC=C(OC)C=C1 F16033 [0,2,0,0,0,0|1,0,0]=3 65 B14R1.65 COC(=O)C1=CC=C(CCC=O)C=C1 AB10160 [0,2,0,0,0,0|0,0,2]=4 66 B14R1.68 CC(=O)OC1=CC=C(\C=C\CO)C=C1 AC9160 [0,2,0,0,0,0|0,0,2]=4 67 B14R1.70 CCCOC1=CC=C(CCC=O)C=C1 P16980 [0,2,0,0,0,0|0,0,2]=4 68 B14R1.4 COC1=CC=C(CNCC(=O)O)C=C1 D84316 [0,2,0,0,0,0|0,0,2]=4 69 B12R2.132 CC1=CC2=C(C=C1)COC2=O F13924 [1,0,0,1,0,0|1,0,1]=4 70 B12R2.132 CC1=CC2=C(C=C1)SC=C2C 60584 [1,0,0,1,0,0|2,0,0]=4 71 B12R2.132 O=C1C=CC2=C1C=C(Br)C=C2 D78663 [1,0,0,1,0,0|1,0,0]=3 72 B12R2.44 CCC1=CC2=C(C=CN2)C=C1 72108 [1,0,0,1,0,0|2,0,0]=4 73 B12R2.44 COC1=CC2=C(C=CC2)C=C1 A10637 [1,0,0,1,0,0|0,0,1]=3 74 B12R2.44 CSC1=CC2=C(C=CN2)C=C1 F17545 [1,0,0,1,0,0|1,1,0]=4 75 B14R2.27 COC1=CC=C(C2CC(=O)C2)C=C1 91862 [0,1,0,1,0,0|0,0,2]=4 76 B14R2.134 COC1=CC2=C(C=C1)C=NC(=O)N2 F15809 [0,1,0,1,0,0|1,0,0]=3 77 B14R2.134 COC1=CC2=C(C=C1)CNC(=O)C2 54449 [0,1,0,1,0,0|1,0,1]=4 78 B14R2.134 COC1=CC2=C(C=C1)COC(=O)N2 AC3130 [0,1,0,1,0,0|1,0,1]=4 79 B14R2.134 COC1=CC2=C(C=C1)OCC(=O)N2 AC6243 [0,1,0,1,0,0|1,0,1]=4 80 B14R2.134 COC1=CC2=C(C=CC(=O)N2)C=C1 F53567 [0,1,0,1,0,0|0,0,0]=2 81 B14R2.134 COC1=CC2=C(C=CC(=O)N2)N=C1 91723 [0,1,0,1,0,0|1,0,0]=3 82 B14R2.134 COC1=CC2=CC(N)=NC=C2C=C1 68513 [0,1,0,1,0,0|2,0,0]=4 83 B14R2.134 COC1=CC2=NC(N)=CN=C2C=C1 92061 [0,1,0,1,0,0|2,0,0]=4 84 B14R2.134 COC1=CC2=NC(N)=CN=C2C=C1 92063 [0,1,0,1,0,0|2,0,0]=4 85 B14R2.134 COC1=CC=C2C=CC(F)=CC2=C1 N14594 [0,1,0,1,0,0|1,0,0]=3 86 B14R2.134 COC1=CC=C2C=NC(Cl)=CC2=C1 79131 [0,1,0,1,0,0|2,0,0]=4 87 B14R2.134 COC1=CN=C2C=CC(Br)=CC2=C1 C71683 [0,1,0,1,0,0|2,0,0]=4 88 B14R2.134 COC1=NC=C2C=CC(Br)=CC2=C1 C91004 [0,1,0,1,0,0|2,0,0]=4 89 B14R2.2496 COC1=CC2=C(C=C1)C=CS2(=O)=O D85612 [0,1,0,1,0,0|1,0,0]=3 90 B14R2.2332 CNC1=CC=C2C=C(Br)C=CC2=C1 E71252 [0,1,0,1,0,0|2,0,0]=4 91 B14R2.2332 COC1=CC2=C(C=C1)C=C(Br)CC2 F52285 [0,1,0,1,0,0|1,0,1]=4 92 B14R2.2332 COC1=CC2=CC=C(C)C=C2C=C1 N14597 [0,1,0,1,0,0|1,0,0]=3 93 B14R2.2332 COC1=CC2=CN=C(N)C=C2C=C1 F31205 [0,1,0,1,0,0|2,0,0]=4 94 B14R2.2332 COC1=CC2=NC=C(N)N=C2C=C1 92036 [0,1,0,1,0,0|2,0,0]=4 95 B14R2.2332 COC1=CC=C2C=C(Cl)C=NC2=C1 K10008 [0,1,0,1,0,0|1,0,0]=3 96 B14R2.2332 COC1=CC=C2N=C(F)C=CC2=C1 55499 [0,1,0,1,0,0|2,0,0]=4 97 B14R2.2332 COC1=NC2=CC=C(N)C=C2C=C1 CS1596 [0,1,0,1,0,0|2,0,0]=4 98 B14R2.2332 COC1=NC=C2C=C(Br)C=CC2=C1 C91486 [0,1,0,1,0,0|2,0,0]=4 99 B14R2.3274 COC1=CC2=C(C=C1)C[C@H](Br)C2=O I11679 [0,1,0,1,0,0|0,0,2]=4 100 B14R2.3304 COC1=CC2=C(C=C1)C=C(C#N)O2 AC5974 [0,1,0,1,0,0|1,0,1]=4 101 B14R2.3304 COC1=CC2=C(C=C1)N=C(C=O)S2 98418 [0,1,0,1,0,0|1,0,0]=3 102 B14R2.3304 COC1=CC2=C(C=C1)NC(C=O)=N2 S11043 [0,1,0,1,0,0|1,0,0]=3 103 B14R2.781 CC(=O)C1=CC2=NC=CC=C2C=C1 92480 [0,1,0,1,0,0|2,0,0]=4 104 B14R2.781 C[C@H](Cl)C1=CC2=NC=CC=C2C=C1 92482 [0,1,0,1,0,0|2,0,0]=4 105 B14R2.1019 COC1=CC2=CC=CN=C2C(O)=C1 63440 [0,1,0,1,0,0|2,0,0]=4 106 B14R2.1019 COC1=CC2=CC=NC=C2C(Br)=C1 88827 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.19613 COC1=CC(Cl)=C2CCC(=O)C2=C1 F52784 [0,1,0,1,0,0|0,0,2]=4 108 B14R2.19613 COC1=CC(F)=C2CCC(=O)C2=C1 F52787 [0,1,0,1,0,0|0,0,2]=4 109 B14R2.19613 COC1=CC2=C(CCC2=O)C(C)=C1 F52792 [0,1,0,1,0,0|0,0,2]=4 110 B14R2.112 NCCC1=CC2=CC=CC=C2C=C1 C15255 [0,1,0,1,0,0|2,0,0]=4 111 B14R2.112 NCCC1=CC2=CC=CC=C2C=C1 C78028 [0,1,0,1,0,0|2,0,0]=4 112 B14R2.475 CCOC1=CC2=C(C=C1)OCC2=O AC3037 [0,1,0,1,0,0|1,0,1]=4 113 B14R2.1 COC1=CC=C(C2=NC=CN2)C=C1 AC6289 [0,1,0,1,0,0|1,0,0]=3 114 B14R2.142 COC1=CC2=C(C=C1)COCC2=O 96402 [0,1,0,1,0,0|0,0,2]=4 115 B14R2.142 COC1=CC2=C(C=C1)SCCC2=O 90743 [0,1,0,1,0,0|0,0,2]=4 116 B14R2.142 COC1=CC2=C(C=CNC2=O)C=C1 F51356 [0,1,0,1,0,0|0,0,0]=2 117 B14R2.142 COC1=CC=C2C=CC=C(Br)C2=N1 D73419 [0,1,0,1,0,0|2,0,0]=4 118 B14R2.142 COC1=CC=C2C=CC=C(Cl)C2=C1 N14592 [0,1,0,1,0,0|1,0,0]=3 119 B14R2.142 COC1=CC=C2C=CC=C(F)C2=C1 74481 [0,1,0,1,0,0|1,0,0]=3 120 B14R2.142 COC1=CC=C2C=CN=C(Cl)C2=C1 79316 [0,1,0,1,0,0|1,0,0]=3 121 B14R2.142 COC1=CC=C2N=CC=C(I)C2=C1 52456 [0,1,0,1,0,0|1,0,0]=3 122 B14R2.142 COC1=CN=C2C=CC=C(Br)C2=C1 C16370 [0,1,0,1,0,0|2,0,0]=4 123 B14R2.142 COC1=NC2=C(N)C=CC=C2C=C1 90849 [0,1,0,1,0,0|2,0,0]=4 124 B14R2.142 COC1=NC=C2N=CC=C(Cl)C2=C1 28307 [0,1,0,1,0,0|2,0,0]=4 125 B14R2.142 CSC1=CC2=C(O)C=CN=C2C=C1 52946 [0,1,0,1,0,0|0,1,1]=4 126 B14R2.142 N#CC1=CC2=C(C=C1)NC=CC2=O F16688 [0,1,0,1,0,0|2,0,0]=4 127 B14R2.2497 COC1=CC2=C(C=O)C=NN2C=C1 C90960 [0,1,0,1,0,0|1,0,0]=3 128 B14R2.2497 COC1=CN2C(C=O)=CN=C2C=C1 D75320 [0,1,0,1,0,0|1,0,0]=3 129 B14R2.1801 COC1=CC2=C(C=C1)C(=O)N=CN2 F15674 [0,1,0,1,0,0|2,0,0]=4 130 B14R2.1801 COC1=CC2=CC=CC(C)=C2C=C1 N14598 [0,1,0,1,0,0|1,0,0]=3 131 B14R2.1801 COC1=CC2=CC=CC(N)=C2N=C1 73651 [0,1,0,1,0,0|2,0,0]=4 132 B14R2.1801 COC1=CC=C2C(I)=CC=NC2=C1 AT14804 [0,1,0,1,0,0|1,0,0]=3 133 B14R2.1801 COC1=CN=C2C(=O)C=CNC2=C1 F15710 [0,1,0,1,0,0|2,0,0]=4 134 B14R2.92 COC1=C(Br)C2=CC=NC=C2C=C1 F14395 [0,1,0,1,0,0|2,0,0]=4 135 B14R2.92 COC1=C(Br)C2=CN=CC=C2C=C1 59976 [0,1,0,1,0,0|2,0,0]=4 136 B14R2.1128 COC1=CC2=CC=CC=C2N=C1Br 83952 [0,1,0,1,0,0|2,0,0]=4 137 B14R2.2167 COC1=CC2=C(C=C1C)CCC2=O F52793 [0,1,0,1,0,0|0,0,2]=4 138 B14R2.2495 COC1=CC=C2CNC(=O)C2=C1C 96781 [0,1,0,1,0,0|1,0,1]=4 139 B12R1.382 COC1=CC=CC(CCC=O)=C1 AC6075 [0,0,0,0,1,1|0,0,2]=4