0 B12R1.286 C=CCC1=CC(OC)=C(O)C=C1 026178S [0,0,0,0,0,0|0,0,2]=2 1 B12R1.286 C\C=C\C1=CC(OC)=C(O)C=C1 025366 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.189 COC1=CC(CC#N)=CC=C1 CS-696 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.189 COC1=CC(CNN)=CC=C1 08-5357 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.192 C=CCC1=CC(O)=C(O)C=C1 06-1778 [1,0,0,0,0,0|0,0,2]=3 5 B11R1.192 OCCC1=CC(O)=C(O)C=C1 024999S [1,0,0,0,0,0|1,0,2]=4 6 B11R1.280 C=CC1=CC(OC)=C(O)C=C1 CS-710 [1,0,0,0,0,0|0,0,0]=1 7 B11R1.280 COC1=C(C)C=CC(CN)=C1 08-10250 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.280 COC1=C(F)C=CC(C#N)=C1 26-964 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.280 COC1=C(F)C=CC(C=O)=C1 26-958 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.280 COC1=C(O)C=CC(C#N)=C1 CS-572 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.280 COC1=C(O)C=CC(C=O)=C1 19-2865 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.280 COC1=C(O)C=CC(CN)=C1 CS-568 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.280 COC1=C(O)C=CC(CO)=C1 01-1523 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.280 COC1=CC(C=O)=C(O)C=C1 19-711 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.280 COC1=CC(OC)=C(Br)C=C1 08-1650 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.280 COC1=NC(OC)=C(Br)C=C1 08-9849 [1,0,0,0,0,0|3,0,0]=4 17 B13R1.49 COC(=O)C1=CC(C#N)=C(O)C=C1 08-10159 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.49 COC(=O)C1=CC(OC)=C(O)C=C1 06-035 [0,1,0,0,0,0|1,0,0]=2 19 B13R1.49 COC(=O)C1=CN=C(Cl)C(OC)=C1 08-6088 [0,1,0,0,0,0|3,0,0]=4 20 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 026088 [0,1,0,0,0,0|1,0,1]=3 21 B13R1.386 C=CCC1=CC(OC)=C(OC)C=C1 025180S [0,1,0,0,0,0|0,0,2]=3 22 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 CS-443 [0,1,0,0,0,0|1,0,2]=4 23 B13R1.575 COC1=C(O)C=CC(\C=C\C=O)=C1 06-1783 [0,1,0,0,0,0|0,0,1]=2 24 B13R1.575 COC1=C(O)C=CC(\C=C\CO)=C1 026028 [0,1,0,0,0,0|0,0,0]=1 25 B13R2.449 N#CCC1=CC2=C(C=C1)OCO2 CS-782 [0,0,0,1,0,0|1,0,2]=4 26 B13R2.599 COC1=C(Br)C=C2NN=CC2=C1 08-10333 [0,0,0,1,0,0|3,0,0]=4 27 B13R2.599 COC1=C(Cl)C=C2C=CNC2=C1 BIO-589 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.10 CCOC1=CC(O)=CC=C1 CS-515 [2,0,0,0,0,0|1,0,1]=4 29 B10R1.172 COC1=CC(C#N)=CC=C1 CS-642 [2,0,0,0,0,0|1,0,1]=4 30 B10R1.172 COC1=CC(C=O)=CN=C1 08-2669 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.172 COC1=CC(C=O)=NC=C1 08-6071 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.172 COC1=CC(CO)=CC=C1 CS-651 [2,0,0,0,0,0|1,0,1]=4 33 B10R1.172 COC1=CC=CC(OC)=C1 CS-398 [2,0,0,0,0,0|1,0,0]=3 34 B10R1.172 COC1=NC=CC(C=O)=C1 08-6069 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.1 CCOC1=CC=C(O)C=C1 020422 [2,0,0,0,0,0|1,0,1]=4 36 B10R1.176 CC1=C(F)C=CC(C=O)=C1 07-404 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.176 COC1=CC(F)=C(O)C=C1 26-3698 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.176 N#CC1=CC(O)=C(O)C=C1 CS-347 [2,0,0,0,0,0|1,0,1]=4 39 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 01-328 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.176 O=CC1=CC(F)=C(O)C=C1 21-329 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.176 O=CC1=CC(O)=C(O)C=C1 026045 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.30 CC1=CC(C=O)=C(O)C=C1 19-456 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.30 CCC1=C(O)C=CC(O)=C1 E-003 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.30 COC1=C(C)C=CC(F)=C1 26-3718 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.30 COC1=C(Cl)C=CC(O)=C1 08-10599 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.30 COC1=C(F)C=CC(C)=C1 07-402 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.30 COC1=C(F)C=CC(F)=C1 03-019 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.30 COC1=C(F)C=CC(N)=C1 26-3675 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.30 COC1=C(O)C=CC(F)=C1 07-400 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.30 COC1=C(O)C=CC(O)=C1 CS-660 [2,0,0,0,0,0|1,0,0]=3 51 B12R1.278 CCOC1=CC=CC(OCC)=C1 CS-318 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.435 COC(=O)C1=NC=CC(OC)=C1 08-10063 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.435 COC1=CC=CC(C(=O)NN)=C1 CS-636 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 CS-693 [1,1,0,0,0,0|0,0,1]=3 55 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 022073 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.367 COC(=O)C1=CC(C)=C(C)C=C1 CS-771 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.367 COC(=O)C1=CC(Cl)=C(O)C=C1 CS-746 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.367 COC(=O)C1=CC(O)=C(N)C=C1 CS-722 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.367 COC(=O)C1=CC(O)=C(O)C=C1 CS-760 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 08-7692 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.367 COC(=O)C1=NC=C(O)C(O)=C1 08-7198 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.367 NNC(=O)C1=CC(O)=C(O)C=C1 CS-341 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 19-2807 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.544 O\N=C\C1=C(O)C(O)=C(O)C=C1 CS-927 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 26-3683 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 26-3672 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 CS-071 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 01-909 [1,1,0,0,0,0|1,0,0]=3 69 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 026002 [1,1,0,0,0,0|0,0,0]=2 70 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 CS-406 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 CS-393 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.78 COC1=C(OC)C=C(CO)C=C1 CS-420 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.78 COC1=CC(OC)=C(C#N)C=C1 CS-403 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 D-015 [1,1,0,0,0,0|1,0,1]=4 75 B12R1.78 COC1=CC(OC)=C(CO)C=C1 CS-419 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.78 COC1=CC(OC)=C(OC)C=C1 CS-944 [1,1,0,0,0,0|1,0,0]=3 77 B12R1.300 COC1=C(O)C(O)=CC(C=O)=C1 19-915 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.300 COC1=CC(C=O)=CC(Br)=C1O B-006 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.300 COC1=CC(C=O)=CC(Cl)=C1O CS-233 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.300 COC1=CC(C=O)=CC(I)=C1O I-001 [1,1,0,0,0,0|1,0,0]=3 81 B12R1.449 COC1=C(Br)C=C(Br)C(C=O)=C1 22-417 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.449 COC1=CC(C=O)=C(Br)C=C1O 19-1140 [1,1,0,0,0,0|1,0,0]=3 83 B12R1.449 COC1=CC(C=O)=C(Br)C=C1O 19-631 [1,1,0,0,0,0|1,0,0]=3 84 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 H-030 [1,1,0,0,0,0|2,0,0]=4 85 B14R1.41 COC1=C(O)C=CC([C@@H](O)C(=O)O)=C1 19-2305 [0,2,0,0,0,0|1,0,1]=4 86 B14R1.626 CCOC(=O)C1=CC(OC)=C(O)C=C1 19-354 [0,2,0,0,0,0|0,0,1]=3 87 B14R1.748 COC(=O)C1=CC(C(C)=O)=C(O)C=C1 08-10060 [0,2,0,0,0,0|2,0,0]=4 88 B14R1.1864 COC(=O)C1=CC(OC)=C(OC)C=C1 CS-765 [0,2,0,0,0,0|1,0,0]=3 89 B14R1.1864 COC1=C(OC)C=C(C(=O)CBr)C=C1 08-5121 [0,2,0,0,0,0|1,0,1]=4 90 B14R1.1864 COC1=C(OC)C=C(C(=O)NN)C=C1 CS-416 [0,2,0,0,0,0|2,0,0]=4 91 B14R1.705 CC(=O)OC1=CC(C(C)=O)=C(O)C=C1 19-580 [0,2,0,0,0,0|2,0,0]=4 92 B14R1.705 CC(=O)OC1=CC(C(C)=O)=C(O)C=C1 19-581 [0,2,0,0,0,0|2,0,0]=4 93 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 19-411 [0,2,0,0,0,0|1,0,1]=4 94 B14R1.3651 COC1=C(OC)C=C(CC(C)=O)C=C1 CS-442 [0,2,0,0,0,0|0,0,1]=3 95 B14R1.3651 COC1=C(OC)C=C(CC(N)=O)C=C1 CS-438 [0,2,0,0,0,0|1,0,1]=4 96 B14R1.42 COC1=C(O)C=CC(CCC(C)=O)=C1 06-1343 [0,2,0,0,0,0|0,0,1]=3 97 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 19-2264 [0,2,0,0,0,0|0,0,1]=3 98 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 F-001 [0,2,0,0,0,0|0,0,1]=3 99 B14R1.42 COC1=C(O)C=CC(\C=C\C(N)=O)=C1 CS-576 [0,2,0,0,0,0|0,0,1]=3 100 B12R1.653 COC1=C(O)C(O)=C(C=O)C=C1 CS-365 [0,0,1,1,0,0|2,0,0]=4 101 B12R2.44 COC1=CC2=C(C=C1)NN=C2 08-7664 [1,0,0,1,0,0|2,0,0]=4 102 B12R2.44 COC1=CN=C2NC=CC2=C1 08-5355 [1,0,0,1,0,0|2,0,0]=4 103 B12R2.44 COC1=NC2=C(C=C1)NC=C2 08-10177 [1,0,0,1,0,0|2,0,0]=4 104 B12R2.44 COC1=NC=C2NC=CC2=C1 08-2312 [1,0,0,1,0,0|2,0,0]=4 105 B12R2.315 COC1=C2C=CNC2=CC=C1 08-1173 [1,0,0,1,0,0|1,0,1]=4 106 B12R2.315 COC1=C2NC=CC2=CC=C1 08-1175 [1,0,0,1,0,0|1,0,0]=3 107 B14R2.1008 CC(=O)OC1=CC2=C(C=C1)OCO2 01-1131 [0,1,0,1,0,0|1,0,0]=3