0 B12R1.3795 CC1=C(C(=C(C(=C1Br)Br)C)Br)Br S110167 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.3795 CC1=C(C(=C(C(=C1Br)Br)C)Cl)Cl S35190 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.3795 CC1=C(C(=C(C(=C1Br)C)Br)C)Br S109630 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.3795 CC1=C(C(=C(C(=C1Br)C)Br)C)Br S869430 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.3795 CC1=C(C(=C(C(=C1Br)C)Br)C)Br S97587 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.3795 CC1=C(C(=C(C(=C1Br)C)C)Br)C S706760 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.3795 CC1=C(C(=C(C(=C1Br)Cl)C)Br)Cl S35034 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.3795 CC1=C(C(=C(C(=C1C)Br)Br)Br)C S869414 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.3795 CC1=C(C(=C(C(=C1C)Br)Br)C)Br S869422 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.3795 CC1=C(C(=C(C(=C1C)Br)Br)C)C S869600 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.3795 CC1=C(C(=C(C(=C1C)Br)C)Br)C S240931 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.3795 CC1=C(C(=C(C(=C1C)Br)C)Br)C S869597 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.3795 CC1=C(C(=C(C(=C1C)Br)Cl)Cl)Br S111015 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.3795 CC1=C(C(=C(C(=C1C)C)Br)C)C S557641 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.3795 CC1=C(C(=C(C(=C1C)C)Cl)C)C S109703 [0,0,0,0,0,0|2,0,0]=2 15 B12R1.3795 CC1=C(C(=C(C(=C1C)Cl)C)Br)C S38416 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.3795 CC1=C(C(=C(C(=C1C)Cl)C)Cl)C S109606 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.3795 CC1=C(C(=C(C(=C1C)Cl)C)Cl)O S345717 [0,0,0,0,0,0|2,0,1]=3 18 B12R1.3795 CC1=C(C(=C(C(=C1C)Cl)Cl)C)C S38483 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.3795 CC1=C(C(=C(C(=C1C)Cl)Cl)Cl)Cl S110175 [0,0,0,0,0,0|4,0,0]=4 20 B12R1.3795 CC1=C(C(=C(C(=C1C)I)Br)Br)I S110035 [0,0,0,0,0,0|4,0,0]=4 21 B12R1.3795 CC1=C(C(=C(C(=C1C)I)Br)Br)I S111082 [0,0,0,0,0,0|4,0,0]=4 22 B12R1.3795 CC1=C(C(=C(C(=C1C)I)Br)Br)I S56805 [0,0,0,0,0,0|4,0,0]=4 23 B12R1.3795 CC1=C(C(=C(C(=C1Cl)Br)Br)Cl)C S35417 [0,0,0,0,0,0|4,0,0]=4 24 B12R1.3795 CC1=C(C(=C(C(=C1Cl)C)C)Cl)C R427446 [0,0,0,0,0,0|2,0,0]=2 25 B12R1.3795 CC1=C(C(=C(C(=C1Cl)C)Cl)C)Cl S80072 [0,0,0,0,0,0|4,0,0]=4 26 B12R1.3795 CC1=C(C(=C(C(=C1Cl)C)Cl)C)Cl S96939 [0,0,0,0,0,0|4,0,0]=4 27 B12R1.3795 CC1=C(C(=C(C(=C1Cl)Cl)Cl)C)Cl R161284 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.3795 CC1=C(C(=C(C(=C1Cl)O)Cl)C)Cl S347418 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.3795 CC1=C(C(=C(C(=C1I)Br)C)I)Br S17478 [0,0,0,0,0,0|4,0,0]=4 30 B12R1.3795 CC1=C(C(=C(C(=C1I)I)C)I)I S17834 [0,0,0,0,0,0|4,0,0]=4 31 B12R1.3795 CC1=C(C(=O)C(=C(C1=O)Br)Br)C S843881 [0,0,0,0,0,0|2,0,0]=2 32 B12R1.3795 CC1=C(C(=O)C(=C(C1=O)Br)C)Br S804983 [0,0,0,0,0,0|2,0,0]=2 33 B12R1.3795 CC1=C(C(=O)C(=C(C1=O)Br)C)Cl R539929 [0,0,0,0,0,0|2,0,0]=2 34 B12R1.3795 CC1=C(C(=O)C(=C(C1=O)C)Br)Br S843873 [0,0,0,0,0,0|2,0,0]=2 35 B12R1.3795 CC1=C(C(=O)C(=C(C1=O)Cl)Br)Br R163422 [0,0,0,0,0,0|3,0,0]=3 36 B12R1.3795 CC1=C(C(=O)C(=C(C1=O)Cl)C)Cl R162388 [0,0,0,0,0,0|2,0,0]=2 37 B12R1.3795 CC1=C(C(=O)C(=C(C1=O)Cl)Cl)C R306150 [0,0,0,0,0,0|2,0,0]=2 38 B12R1.3795 CN1C(=O)C(=O)N(C(=O)C1=O)C L164119 [0,0,0,0,0,0|4,0,0]=4 39 B12R1.3795 O=C1C(=C(C(=O)C(=C1Br)Br)Br)Br S38351 [0,0,0,0,0,0|4,0,0]=4 40 B12R1.3795 O=C1C(=C(C(=O)C(=C1Br)Br)Br)Br S972517 [0,0,0,0,0,0|4,0,0]=4 41 B12R1.3795 O=C1C(=C(C(=O)C(=C1Cl)[O-])Cl)[O-] S428655 [0,0,0,0,0,0|4,0,0]=4 42 B12R1.3795 O=C1C(=C(C(=O)C(=C1Cl)[O-])Cl)[O-] S431427 [0,0,0,0,0,0|4,0,0]=4 43 B12R1.3795 O=C1C(=C(C(=O)C(=C1Cl)[O-])Cl)[O-] S441198 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.32 CC1=C(C(=C(C(=C1)Br)C)Br)N R289779 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.32 CC1=C(C(=C(C(=C1)Br)C)C)C S38084 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.32 CC1=C(C(=C(C(=C1)Cl)C)C)C S35999 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.32 CC1=C(C(=C(C(=C1)O)C)C)Cl S344621 [1,0,0,0,0,0|1,0,1]=3 48 B11R1.32 CC1=C(C(=C(C(=C1)O)Cl)C)Cl S412643 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.32 CC1=C(C(=O)C(=C(N1)C)Br)Br L100307 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.32 CC1=C(C(=O)C(=CC1=O)Cl)C R163597 [1,0,0,0,0,0|1,0,0]=2 51 B11R1.32 CC1=CC(=C(C(=C1Br)C)Br)C S407445 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.32 CC1=CC(=C(C(=C1C)Br)N)C S943614 [1,0,0,0,0,0|2,0,0]=3 53 B11R1.32 CC1=CC(=C(C(=C1C)C)Br)C S109738 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.32 CC1=CC(=C(C(=C1C)I)C)C S38548 [1,0,0,0,0,0|1,0,0]=2 55 B11R1.32 CC1=CC(=O)C(=C(C1=O)Br)C R539902 [1,0,0,0,0,0|1,0,0]=2 56 B11R1.32 CC1=CC(=O)C(=C(C1=O)C)C PH006916 [1,0,0,0,0,0|0,0,0]=1 57 B11R1.32 CC1=CC(=O)N(C(=O)N1C)C R904201 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.32 CC1=CC(=[N+](C(=O)N1C)C)C S139831 [1,0,0,0,0,0|2,0,0]=3 59 B11R1.32 CC1=NC(=C(C(=C1C)C)C)C R252581 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.32 O=C1C=C(C(=O)C(=C1Cl)Cl)Cl PH006792 [1,0,0,0,0,0|3,0,0]=4 61 B13R1.3251 CC1=C(C(=C(C(=C1C)C)CCl)C)C S36537 [0,1,0,0,0,0|2,0,0]=3 62 B13R1.3251 CC1=C(C(=O)N(C(=O)N1C)C)C=O PH016730 [0,1,0,0,0,0|3,0,0]=4 63 B13R2.11617 CC1=C(C2=C(CC2)C(=C1C)C)C S58239 [0,0,0,1,0,0|2,0,0]=3 64 B10R1.22 CC1=CC(=C(C(=C1)Br)N)C S294144 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CDS000400 [2,0,0,0,0,0|1,0,0]=3 66 B10R1.22 CC1=CC(=C(C(=C1)C)Cl)C PH010961 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.22 CC1=CC(=C(C(=C1)C)I)C R258377 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.22 CC1=CC(=C(C(=O)O1)C)O S763454 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.22 CC1=CC(=CC(=C1F)C)Br CDS003019 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.22 CC1=CC(=CC(=C1N)C)Cl PH000327 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.22 CC1=CC(=CC(=C1O)C)I S842702 [2,0,0,0,0,0|1,0,1]=4 72 B10R1.22 CC1=CC(=CN(C1=O)C)Br JRD0890 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.22 CC1=CC(=O)C=C(N1C)C S11003 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.22 CC1=CC(=O)N(C(=C1)C)N CBR00430 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.22 CC1=CC(=O)N(C(=C1)N)C T324760 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.22 CC1=CC(=O)N(C(=N1)C)C PH007968 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.22 CC1=CC(=[N+](C(=C1)C)C)C R255408 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.22 CC1=CC(=[O+]C(=C1C)C)C S920193 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.118 CC1=C(C=C(C(=C1)N)O)C CBR01735 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.118 CC1=C(CC(=C(C1)C)C)C R158577 [2,0,0,0,0,0|0,0,2]=4 81 B10R1.118 CC1=CC(=C(C=C1Br)Br)C S945935 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.118 CC1=CC(=C(C=C1C)I)I S110043 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.118 CC1=CC(=C(C=C1Cl)C)C S943592 [2,0,0,0,0,0|1,0,0]=3 84 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)C S314269 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.118 CC1=CC(=C(C=C1I)C)I T304670 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.118 CC1=CC(=C(C=C1N)C)Br CDS022557 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.118 CC1=CC(=C(C=C1N)N)C R426733 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.118 CC1=CC(=C(C=C1O)C)C PH017204 [2,0,0,0,0,0|1,0,0]=3 89 B10R1.118 CC1=CC(=C(C=C1O)C)S PH007453 [2,0,0,0,0,0|0,1,1]=4 90 B10R1.118 CC1=CC(=O)C(=CC1=O)Br R164224 [2,0,0,0,0,0|1,0,0]=3 91 B10R1.118 O=C1C=C(C(=O)C=C1Br)Br S149403 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.118 O=C1C=C(C(=O)C=C1Br)Br S944955 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.119 CC1=C(C(=CC=C1N)Br)C CDS022788 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.119 CC1=CC=C(C(=C1C)Br)C T332577 [2,0,0,0,0,0|1,0,0]=3 95 B10R1.119 CC1=CC=C(C(=C1C)N)N R228389 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.119 CC1=CC=C(C(=C1N)C)N R750859 [2,0,0,0,0,0|2,0,0]=4 97 B12R1.98 CC1=CC(=C(C(=C1CCl)C)O)C S947628 [1,1,0,0,0,0|1,0,1]=4 98 B12R1.98 COC1=C(C=C(C(=C1C)C)N)C PH004606 [1,1,0,0,0,0|1,0,1]=4 99 B12R1.705 CC1=CC(=C(C(=C1C)CCl)C)C PH017034 [1,1,0,0,0,0|1,0,0]=3 100 B14R1.3930 CC1=C(C(=C(C(=C1C=O)C)C)C=O)C S90841 [0,2,0,0,0,0|0,0,0]=2 101 B14R1.3930 CC1=C(C(=C(C(=C1CCl)C)C)CCl)C S280186 [0,2,0,0,0,0|2,0,0]=4 102 B14R1.3930 CC1=C(C(=C(C(=C1CN)C)C)CN)C S355933 [0,2,0,0,0,0|2,0,0]=4 103 B14R1.3931 CC1=C(C(=C(C(=C1C)CCl)C)CCl)C S662895 [0,2,0,0,0,0|2,0,0]=4 104 B14R1.3931 COC1=C(C(=O)C(=C(C1=O)OC)Br)Br S524050 [0,2,0,0,0,0|2,0,0]=4 105 B14R1.3931 COC1=C(C(=O)C(=C(C1=O)OC)Cl)Cl S859842 [0,2,0,0,0,0|2,0,0]=4 106 B14R1.3941 CC1=C(C(=C(C(=C1C)C)CCl)CCl)C S869899 [0,2,0,0,0,0|2,0,0]=4 107 B14R1.3941 CC1=C(C(=C(C(=C1C)CO)CO)C)C PH008535 [0,2,0,0,0,0|1,0,1]=4 108 B14R1.27331 CC1=C(C(=C(C(=C1Br)C)C)[N+](=O)[O-])C S907901 [0,2,0,0,0,0|1,0,0]=3 109 B14R1.27331 CC1=C(C(=C(C(=C1C)F)C)[N+](=O)[O-])C S80110 [0,2,0,0,0,0|2,0,0]=4 110 B14R2.5019 CC1=C(C2=C(C(=C1C)C)C(C2)O)C S296090 [0,1,0,1,0,0|1,0,1]=4 111 B14R2.5591 CC1=C(C(=O)C2=NSN=C2C1=O)C T305340 [0,1,0,1,0,0|2,0,0]=4 112 B12R1.1275 CC1=CC(C(=O)N(C(=C1)C)C)C T162698 [1,0,0,0,0,1|1,0,1]=4