0 B10R1.118 CC1=C(C=C(C(=C1)N)O)C CBR01735 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.118 CC1=C(C=C(C(=N1)N)I)I BCH00051 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.118 CC1=C(C=C(C(=N1)N)N)Br S927333 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.118 CC1=C(CC(=C(C1)C)C)C R158577 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.118 CC1=C(N=C(C(=C1)O)Cl)I ADE000751 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.118 CC1=CC(=C(C=C1Br)Br)C S945935 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.118 CC1=CC(=C(C=C1C)I)I S110043 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.118 CC1=CC(=C(C=C1Cl)C)C S943592 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)C S314269 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.118 CC1=CC(=C(C=C1I)C)I T304670 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.118 CC1=CC(=C(C=C1N)C)Br CDS022557 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.118 CC1=CC(=C(C=C1N)N)C R426733 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.118 CC1=CC(=C(C=C1O)C)C PH017204 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.118 CC1=CC(=C(C=C1O)C)S PH007453 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.69 CC1=C(C=CC(=N1)N)I ADE000318 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.69 CC1=C(C=CC(=N1)O)I BCH00049 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.69 CC1=C(N=C(C=C1)Cl)I ADE001345 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.69 CC1=C(N=CC(=C1)Br)F CDS003028 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.69 CC1=CC(=C(N=C1)F)I SYX00020 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.69 CC1=CC(=CN=C1Br)N CDS014715 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.69 CC1=CC(=CN=C1F)N CDS017686 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.69 CC1=CC(=CN=C1N)I ADE000317 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.69 CC1=CN=C(C(=C1)Cl)Cl ADE000749 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.69 CC1=CN=C(C(=C1)I)Cl ADE000728 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.69 CC1=CN=C(C(=C1)I)N ADE000412 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.69 CC1=NC(=C(C=C1)Br)F CDS021914 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.69 CC1=NC(=C(C=N1)C)Cl CBR00286 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.69 CC1=NC(=CC=C1F)Br CDS002984 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.69 NC1=CN=C(C(=N1)Cl)Br ANV00060 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.32 CC1=C(C(=C(C(=C1)Br)C)C)C S38084 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.32 CC1=C(C(=C(C(=C1)Cl)C)C)C S35999 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.32 CC1=CC(=C(C(=C1C)Br)N)C S943614 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.32 CC1=CC(=C(C(=C1C)C)Br)C S109738 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.32 CC1=CC(=C(C(=C1C)I)C)C S38548 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.32 CC1=NC(=C(C(=C1Br)Cl)Br)C R439649 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.32 CC1=NC(=C(C(=C1C)C)C)C R252581 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.277 CC1=C(N=C(C(=C1)C#N)Cl)C CBR01490 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.277 CC1=CC(=C(C=C1CCl)C)C S663352 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.277 CC1=CC(=C(C=C1CO)C)C PH015738 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.277 CC1=CC(=C(C=C1CO)C)O PH007907 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.277 CC1=NC(=C(N=C1C=O)C)C PH018053 [0,1,0,0,0,0|0,0,1]=2 49 B11R1.277 CC1=NC(=C(N=C1CO)C)C CBR00478 [0,1,0,0,0,0|0,0,0]=1 50 B11R1.277 CCC1=C(C=C(C(=C1)C)C)O S360961 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.277 CCC1=CC(=C(C=C1C)C)C S504343 [0,1,0,0,0,0|2,0,0]=3 52 B9R1.37 CC1=C(C(=C(N1)C)I)I L164151 [0,0,0,0,1,0|2,0,1]=4 53 B9R1.37 CC1=C(C(=C(O1)C)C)C L159700 [0,0,0,0,1,0|1,0,0]=2 54 B9R1.37 CC1=C(N(C(=O)N1)C)C CBR02435 [0,0,0,0,1,0|2,0,1]=4 55 B9R1.37 CC1=CC(=[N+](N1C)C)C R428507 [0,0,0,0,1,0|3,0,0]=4 56 B9R1.37 CC1=NC(=C(N1C)I)I PH002915 [0,0,0,0,1,0|3,0,0]=4 57 B9R1.37 CC1=NC(=C(N1O)C)C L498734 [0,0,0,0,1,0|2,0,0]=3 58 B9R1.37 CC1=NN(C(=C1Br)Cl)C PH002608 [0,0,0,0,1,0|3,0,0]=4 59 B9R1.37 CC1=NN(C(=C1I)C)C BML00265 [0,0,0,0,1,0|2,0,0]=3 60 B9R1.37 CC1=NN(C(=C1I)C)C CDS014870 [0,0,0,0,1,0|2,0,0]=3 61 B8R1.3 CC1=NN=C(N=N1)C T170577 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.3 NC1=CN=C(C=N1)Cl CDS005437 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [2,0,0,0,0,0|1,0,0]=3 64 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [2,0,0,0,0,0|1,0,0]=3 65 B8R1.4 ClC1=CN=CC(=N1)Br ANV00065 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.4 IC1=CN=CC(=N1)I SYX00011 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.4 NC1=NC(=CN=C1)Cl CDS013619 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.4 OC1=NC(=CN=C1)Cl CBR01733 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.5 CC1=NC=CN=C1Cl CDS013629 [2,0,0,0,0,0|1,0,0]=3 70 B8R1.5 CC1=NC=CN=C1S PH014228 [2,0,0,0,0,0|1,0,0]=3 71 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CDS000400 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.22 CC1=CC(=C(C(=N1)C)Br)O R456772 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.22 CC1=CC(=C(C(=N1)C)Cl)O R746894 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.22 CC1=CC(=C(C(=N1)C)N)C CBR01290 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.22 CC1=CC(=O)N(C(=N1)C)C PH007968 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.22 CC1=CC(=[O+]C(=C1C)C)C S920193 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.22 CC1=NC(=C(C(=C1)O)C)O PH001768 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.22 CC1=NC(=C(C(=N1)C)C)Cl CBR01736 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.25 COC1=NC=C(C=C1I)C ADE000726 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.30 CC1=CN=C(C(=C1)CO)Cl ADE000776 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.30 CCC1=C(C=CC(=N1)Cl)C CBR01609 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.30 COC1=C(C=CC(=N1)C)Br CDS020912 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.119 CC1=CC=C(C(=C1C)Br)C T332577 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.34 CC1=C(N(C(=N1)CO)C)C CBR00045 [0,1,0,0,1,0|1,0,0]=3 92 B10R1.34 CC1=NN(C(=C1Br)C)CO S358908 [0,1,0,0,1,0|2,0,0]=4 93 B10R1.34 CCC1=NN(C(=C1C)N)C CBR00337 [0,1,0,0,1,0|2,0,0]=4 94 B10R1.34 CCN1N=C(C(=C1C)N)C CBR01345 [0,1,0,0,1,0|2,0,0]=4 95 B10R1.34 COC1=NN(C(=C1N)C)C CBR01422 [0,1,0,0,1,0|2,0,0]=4 96 B10R1.256 C#CC1=C(N(N=C1C)C)C CBR02164 [0,1,0,0,1,0|1,0,1]=4 97 B10R1.256 CC1=NN(C(=C1C#N)C)C CBR01379 [0,1,0,0,1,0|1,0,1]=4 98 B10R1.256 CC1=NN(C(=C1C=O)C)C CDS017435 [0,1,0,0,1,0|1,0,1]=4 99 B10R1.256 CC1=NN(C(=C1CO)C)C CBR00195 [0,1,0,0,1,0|1,0,0]=3 100 B10R1.256 CCC1=C(N(N=C1C)C)N CBR01003 [0,1,0,0,1,0|2,0,0]=4 101 B12R1.705 CC1=CC(=C(C(=C1C)CCl)C)C PH017034 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.3795 CC1=C(C(=C(C(=C1Br)C)C)Br)C S706760 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.3795 CC1=C(C(=C(C(=C1C)C)Br)C)C S557641 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.3795 CC1=C(C(=C(C(=C1C)C)Cl)C)C S109703 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.3795 CC1=C(C(=C(C(=C1Cl)C)C)Cl)C R427446 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)C)C S413607 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.448 CC1=CC(=C(C=C1C)CCl)CCl S280097 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.449 CC1=CC(=C(C=C1CCl)CCl)C S407550 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.449 CC1=CC(=C(C=C1CN)CN)C PH009733 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.449 CC1=CC(=C(C=C1CS)CS)C S240753 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.450 CC1=CC(=C(C=C1CCl)C)CCl S407542 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.450 CC1=CC(=C(C=C1CN)C)CN PH004152 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.450 CC1=CC(=C(C=C1CN)C)CN S368636 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.450 CCC1=NC(=C(N=C1Cl)CC)Cl PH014787 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.1123 CC1=CC(=C(C=C1C)CC#N)C PH011513 [0,2,0,0,0,0|2,0,0]=4 116 B8R1.18 CC1=C(SC(=N1)N)C S139696 [1,0,0,0,1,0|2,0,0]=4 117 B8R1.18 CC1=C(SC(=N1)S)C PH009931 [1,0,0,0,1,0|2,0,0]=4 118 B8R1.18 CC1=CC(=C(O1)C)S CDS013831 [1,0,0,0,1,0|2,0,0]=4 119 B8R1.18 CC1=NC(=C(S1)Br)C CDS020883 [1,0,0,0,1,0|2,0,0]=4 120 B8R1.18 CC1=NC(=CN1C)Br CDS007637 [1,0,0,0,1,0|2,0,0]=4 121 B8R1.18 CC1=NC(=NN1C)Br CBR02160 [1,0,0,0,1,0|2,0,0]=4 122 B8R1.18 CC1=NC(=NN1C)Cl CBR02191 [1,0,0,0,1,0|2,0,0]=4 123 B8R1.18 CC1=NN(C(=C1)Br)C PHB00168 [1,0,0,0,1,0|2,0,0]=4 124 B8R1.18 CC1=NN(C(=C1)Cl)C R435937 [1,0,0,0,1,0|2,0,0]=4 125 B8R1.18 CC1=NN(C(=N1)Br)C CBR02189 [1,0,0,0,1,0|2,0,0]=4 126 B8R1.18 CC1=NN(C(=N1)Cl)C CBR02184 [1,0,0,0,1,0|2,0,0]=4 127 B8R1.18 CC1=NN(C=C1N)C CDS015732 [1,0,0,0,1,0|2,0,0]=4 128 B8R1.50 CC1=C(C(=NO1)N)C SYX00035 [1,0,0,0,1,0|2,0,0]=4 129 B8R1.50 CC1=NNC(=C1C)C CBR00071 [1,0,0,0,1,0|1,0,0]=3 130 B8R1.50 CC1=NNC(=C1N)C L203173 [1,0,0,0,1,0|2,0,0]=4 131 B8R1.50 CC1=NNC(=C1O)C S720429 [1,0,0,0,1,0|2,0,0]=4 132 B12R1.1233 CC1=C(C=CC(=C(C=C1)C)C)C T195863 [0,0,0,0,0,2|2,0,0]=4