0 B12R1.125 O=C(Cl)OCC1=CC=CC=C1Cl M10239810P [0,0,0,0,0,0|3,0,1]=4 1 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br M10104081P [0,0,0,0,0,0|1,0,0]=1 2 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br M10107538P [0,0,0,0,0,0|1,0,0]=1 3 B11R1.17 O=C\C=C\C1=CC=CC=C1C M10615838P [1,0,0,0,0,0|1,0,0]=2 4 B11R1.17 OC1=CC=CC=C1OCCO M10066361P [1,0,0,0,0,0|1,0,2]=4 5 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 M10192599P [1,0,0,0,0,0|2,0,1]=4 6 B11R1.91 O=C(O)CCC1=NC=CC=C1 M10135517P [1,0,0,0,0,0|1,0,2]=4 7 B11R1.91 O=C(O)COC1=CC=CC=C1 M10190227P [1,0,0,0,0,0|1,0,1]=3 8 B11R1.91 O=[N+](\C=C\C1=CC=CC=C1)[O-] M10263073P [1,0,0,0,0,0|1,0,1]=3 9 B13R1.164 O=C(O)COC1=CC=C(Cl)C=C1Cl M10038935P [0,1,0,0,0,0|2,0,1]=4 10 B13R1.202 CC(OC1=CC=CC=C1Cl)C(O)=O M10187966P [0,1,0,0,0,0|2,0,1]=4 11 B13R1.202 O=C(O)[C@@H](N)CC1=CC=CC=C1Cl M10813112P [0,1,0,0,0,0|1,0,2]=4 12 B13R1.893 O=C(O)\C=C\C1=CC(F)=CC=C1Br M10830308P [0,1,0,0,0,0|1,0,0]=2 13 B13R1.3787 O=C(O)COC1=C(C)C=CC=C1C M10122840P [0,1,0,0,0,0|2,0,1]=4 14 B13R2.435 CC(C1=NC2=CC=CC=C2N1)=O M10053736P [0,0,0,1,0,0|3,0,0]=4 15 B13R2.435 O=C(C1=CC2=CC=CN=C2S1)O M10310809P [0,0,0,1,0,0|1,1,0]=3 16 B13R2.435 O=C(C1=NC2=CC=CC=C2N1)O M10048286P [0,0,0,1,0,0|2,0,0]=3 17 B13R2.435 O=C(C1CC2=C(C=CC=C2)C1)O M10188186P [0,0,0,1,0,0|1,0,2]=4 18 B13R2.435 O=C([C@H]1NC2=C(C=CC=C2)C1)O M10628363P [0,0,0,1,0,0|1,0,2]=4 19 B13R2.5179 NC1=C2C=CC(C)=NC2=CC=C1 M10276461P [0,0,0,1,0,0|3,0,0]=4 20 B13R2.5179 OC1=CC=C2C(Cl)=CC=NC2=C1 M10809398P [0,0,0,1,0,0|3,0,0]=4 21 B11R1.86 CC(CC1=CC=CC=C1Br)=O M10172330P [0,0,0,0,1,0|2,0,1]=4 22 B11R1.86 CC(CC1=CC=CC=C1C)=O M10257313P [0,0,0,0,1,0|2,0,1]=4 23 B11R1.86 CC(CC1=CC=CC=C1Cl)=O M10088231P [0,0,0,0,1,0|2,0,1]=4 24 B11R1.86 CC(CC1=CC=CC=C1F)=O M10048160P [0,0,0,0,1,0|2,0,1]=4 25 B11R1.86 CC(CC1=CC=CC=C1O)=O M12278736P [0,0,0,0,1,0|1,0,1]=3 26 B11R1.86 O=C(Cl)OC1=CC=CC=C1Cl M10160517P [0,0,0,0,1,0|3,0,0]=4 27 B10R1.4 FC1=CC=CC=C1\C=N\O M10010987P [2,0,0,0,0,0|2,0,0]=4 28 B10R1.17 ClC\C=C\C1=CC=CC=C1 M10187067P [2,0,0,0,0,0|1,0,1]=4 29 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 M10052580P [1,1,0,0,0,0|0,0,2]=4 30 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 M10034129P [1,1,0,0,0,0|0,0,2]=4 31 B12R1.21 O=C(O)CCC1=CC=C(N)C=C1 M10043302P [1,1,0,0,0,0|0,0,2]=4 32 B12R1.21 O=C(O)\C=C\C1=CC=C(N)N=C1 M10796442P [1,1,0,0,0,0|1,0,0]=3 33 B12R1.27 O=C(OC)CNC1=CC=CC=C1 M10121939P [1,1,0,0,0,0|1,0,1]=4 34 B12R1.27 O=C(OC)COC1=CC=CC=C1 M10039630P [1,1,0,0,0,0|1,0,1]=4 35 B12R1.43 O=C([O-])C(CC1=CC=CC=C1)=O M10262011P [1,1,0,0,0,0|0,0,2]=4 36 B12R1.107 O=C(O)CN(C)C1=CC=CC=C1 M10172364P [1,1,0,0,0,0|1,0,1]=4 37 B12R1.107 O=C(O)CN(C)C1=CC=CC=C1 M10243459P [1,1,0,0,0,0|1,0,1]=4 38 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 M10131340P [1,1,0,0,0,0|0,0,0]=2 39 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 M10195642P [1,1,0,0,0,0|0,0,0]=2 40 B12R1.75 CC(CC1=CC=CC=C1OC)=O M10069694P [0,1,0,0,1,0|1,0,1]=4 41 B12R1.75 CC(NC1=CC=CC=C1OC)=O M11208233P [0,1,0,0,1,0|2,0,0]=4 42 B12R1.75 O=C(Cl)CC1=CC=CC=C1OC M10200591P [0,1,0,0,1,0|1,0,1]=4 43 B12R1.75 O=C(O)CC1=CC=CC=C1C#N M10156826P [0,1,0,0,1,0|1,0,1]=4 44 B12R1.75 O=C(O)CC1=CC=CC=C1CN M10244138P [0,1,0,0,1,0|1,0,1]=4 45 B12R1.124 O=C(O)C(Br)C1=CC=CC=C1Cl M10205671P [0,1,0,0,1,0|1,0,1]=4 46 B12R1.124 O=C(O)C(N)C1=CC=CC=C1Cl M10547303P [0,1,0,0,1,0|1,0,1]=4 47 B12R1.124 O=C(O)C(N)C1=CC=CC=C1F M10495311P [0,1,0,0,1,0|1,0,1]=4 48 B12R1.124 O=C(O)[C@H](N)C1=CC=CC=C1Cl M10505642P [0,1,0,0,1,0|1,0,1]=4 49 B12R1.127 O=C(O)CC1=CC(Br)=CC=C1C M11001706P [0,1,0,0,1,0|1,0,1]=4 50 B12R1.233 O=C(O)CC1=CC=C(Cl)C=C1Br M10267526P [0,1,0,0,1,0|1,0,1]=4 51 B12R1.233 O=C(O)CC1=CC=C(F)C=C1C M10875518P [0,1,0,0,1,0|1,0,1]=4 52 B14R1.4522 O=C(O)\C=C\C1=CC=CC=C1[N+]([O-])=O M10025293P [0,2,0,0,0,0|0,0,1]=3 53 B14R1.820 O=C(OC)\C=C\C1=CC(O)=CC=C1O M10389881P [0,2,0,0,0,0|0,0,0]=2 54 B12R1.232 O=C(O)C1=CC(Br)=C(O)C=C1O M10788865P [0,0,1,1,0,0|2,0,0]=4 55 B12R1.56 O=C(O)C1=CC=C(F)C(C=O)=C1 M10995831P [0,0,1,1,0,0|2,0,0]=4 56 B12R1.56 O=C(O)C1=CC=C(O)C(C=O)=C1 M10014806P [0,0,1,1,0,0|1,0,0]=3 57 B12R1.258 O=C(O)C1=CC=CC(B(O)O)=C1 M10189915P [0,0,1,1,0,0|2,0,0]=4 58 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 M10005935P [1,0,0,1,0,0|2,0,0]=4 59 B12R2.24 ClC1=CC=C2C=CC=CC2=C1 M10002070P [1,0,0,1,0,0|2,0,0]=4 60 B12R2.24 FC1=CC=C2C=CC=CC2=C1 M10008277P [1,0,0,1,0,0|2,0,0]=4 61 B12R2.24 NC1=CC=C2C=CC=CC2=C1 M10002071P [1,0,0,1,0,0|2,0,0]=4 62 B12R2.24 NC1=NC2=CC=CC=C2C=C1 M10014666P [1,0,0,1,0,0|2,0,0]=4 63 B12R2.24 O=C1NC2=CN=CC=C2C=C1 M10279455P [1,0,0,1,0,0|2,0,0]=4 64 B12R2.32 CCC1=CC2=CC=CC=C2O1 M10051433P [1,0,0,1,0,0|1,0,1]=4 65 B12R2.32 O=CC1=NC2=CC=CC=C2S1 M10094911P [1,0,0,1,0,0|1,1,0]=4 66 B12R2.32 O=CC=1NC2=C(C1)C=CC=C2 M10158452P [1,0,0,1,0,0|1,0,0]=3 67 B12R2.196 O=C1NCC2=C1C=CC=C2O M10867307P [1,0,0,1,0,0|1,0,1]=4 68 B12R2.1081 CC1=C2C=CC=CC2=CC=C1 M10030239P [1,0,0,1,0,0|2,0,0]=4 69 B12R2.1081 CC1=C2C=CC=NC2=CC=C1 M10109557P [1,0,0,1,0,0|2,0,0]=4 70 B12R2.1081 ClC1=C2C=CC=NC2=CC=C1 M10017228P [1,0,0,1,0,0|2,0,0]=4 71 B12R2.1081 OC1=C2CC=CCC2=CC=C1 M10199100P [1,0,0,1,0,0|1,0,1]=4 72 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 M10134794P [1,0,0,1,0,0|2,0,0]=4 73 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 M11184094P [1,0,0,1,0,0|2,0,0]=4 74 B12R2.1081 OC1=C2N=CC=NC2=CC=C1 M10146884P [1,0,0,1,0,0|2,0,0]=4 75 B12R2.1081 OC1=NC=CC2=C1C=CC=C2 M10012135P [1,0,0,1,0,0|2,0,0]=4 76 B12R2.3190 O=C(C1C2=CC=CC=C2C1)O M10130765P [1,0,0,1,0,0|0,0,2]=4 77 B12R2.252 O=C(C1=CC2=C(C=CS2)S1)O M10035325P [0,0,0,1,1,0|1,1,0]=4 78 B12R2.252 O=C(C1=CC=2OC=CC2N1)O M10424193P [0,0,0,1,1,0|2,0,0]=4 79 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2O1 M10357725P [0,0,0,1,0,1|0,0,0]=2 80 B14R2.768 O=C(O)CC=1NC2=C(C1)C=CC=C2 M10217671P [0,0,0,1,0,1|1,0,0]=3 81 B14R2.781 O=C(C1=CC2=C(C=N1)C=CC=C2)O M10830750P [0,0,0,1,0,1|1,0,0]=3 82 B14R2.781 O=C(C1=CC2=CC=CC=C2OC1)O M10809857P [0,0,0,1,0,1|1,0,1]=4 83 B14R2.781 O=C(C1CCC2=C(O1)C=CC=C2)O M10262611P [0,0,0,1,0,1|0,0,2]=4 84 B14R2.781 O=C(C1OC2=CC=CC=C2OC1)O M10223704P [0,0,0,1,0,1|0,0,2]=4 85 B14R2.781 O=C([C@H]1OC2=CC=CC=C2OC1)O M10440552P [0,0,0,1,0,1|0,0,2]=4 86 B14R2.8032 CC(C1=CNC2=C1C=CC=C2Br)=O M10086086P [0,0,0,1,0,1|2,0,0]=4 87 B14R2.8032 O=C(C1=CNC2=C1C=CC=C2C)O M10210295P [0,0,0,1,0,1|1,0,0]=3 88 B14R2.8032 O=C(C1=CNC2=C1C=CN=C2Cl)O M10105938P [0,0,0,1,0,1|2,0,0]=4 89 B14R2.8032 O=C(C1=NNC2=C1C=CC=C2F)O M10090100P [0,0,0,1,0,1|2,0,0]=4 90 B14R2.450 O=C(C1=C(C)C2=CC=CC=C2S1)O M10051454P [0,1,0,1,0,0|0,1,0]=3 91 B14R2.450 O=C(C=1NC2=C(C1Br)C=CC=C2)O M10203373P [0,1,0,1,0,0|1,0,0]=3 92 B14R2.450 O=C(C=1NC2=C(C1Cl)C=CC=C2)O M10203372P [0,1,0,1,0,0|1,0,0]=3 93 B14R2.7969 CC(C1=CC2=CC=CC(O)=C2O1)=O M10241394P [0,1,0,1,0,0|1,0,0]=3 94 B14R2.7969 O=C(C1=NC2=C(C)C=CC=C2N1)O M10937320P [0,1,0,1,0,0|2,0,0]=4 95 B14R2.7969 O=C(C1=NC2=C(F)C=CC=C2S1)O M10883818P [0,1,0,1,0,0|1,1,0]=4 96 B14R2.7969 O=C(C=1NC2=C(C1)C(=CC=C2)F)O M10010100P [0,1,0,1,0,0|1,0,0]=3 97 B14R2.7969 O=C(C=1NC2=C(C1)C=CC=C2F)O M10010099P [0,1,0,1,0,0|1,0,0]=3 98 B14R2.4529 O=C(C1=CC2=CC(Br)=CC=C2O1)N M10227080P [0,1,0,1,0,0|1,0,0]=3 99 B14R2.4529 O=C(C1=CC2=CC(N)=CC=C2O1)O M10250055P [0,1,0,1,0,0|0,0,0]=2 100 B14R2.4529 O=C(C1=NC2=CC(Br)=CC=C2N1)O M10241982P [0,1,0,1,0,0|2,0,0]=4 101 B14R2.4529 O=C(C1=NC2=CC=C(Br)C=C2S1)O M10109420P [0,1,0,1,0,0|1,1,0]=4 102 B14R2.4529 O=C(C1=NC2=CC=C(Cl)C=C2S1)O M10056205P [0,1,0,1,0,0|1,1,0]=4 103 B14R2.4529 O=C(C=1NC2=C(C1)C=C(C=C2)C)O M10113325P [0,1,0,1,0,0|1,0,0]=3 104 B14R2.4529 O=C(C=1NC2=C(C1)C=C(N=C2)Br)O M10960081P [0,1,0,1,0,0|2,0,0]=4 105 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)O)O M10241468P [0,1,0,1,0,0|1,0,0]=3 106 B14R2.972 O=C(C1=NC2=CC=CC=C2N1)OC M10080602P [0,1,0,1,0,0|2,0,0]=4 107 B10R1.18 O=C([O-])CC1=CC=CC=C1 M10003981P [1,0,0,0,1,0|0,0,2]=4 108 B10R1.18 O=C([O-])CC1=CC=CC=C1 M10119708P [1,0,0,0,1,0|0,0,2]=4 109 B10R1.61 CC(C1=CC=CC=C1O)=O M10655952P [0,0,0,0,2,0|1,0,0]=3 110 B10R1.61 CC(C1=CC=CC=C1S)=O M10195420P [0,0,0,0,2,0|1,1,0]=4 111 B10R1.61 O=C(Cl)C1=CC=CC=C1I M10015820P [0,0,0,0,2,0|2,0,0]=4 112 B10R1.61 O=C(N)C1=CC=CC=C1Br M10059208P [0,0,0,0,2,0|2,0,0]=4 113 B10R1.61 O=C(N)C1=CC=CC=C1F M10010862P [0,0,0,0,2,0|2,0,0]=4 114 B10R1.61 O=C(O)C1=CC=CC=C1I M11206439P [0,0,0,0,2,0|1,0,0]=3 115 B10R1.61 O=C(O)C1=CC=NC=C1C M10059322P [0,0,0,0,2,0|2,0,0]=4 116 B10R1.61 O=C(O)C1=CC=NC=C1N M10108414P [0,0,0,0,2,0|2,0,0]=4 117 B10R1.61 O=C(O)C1=CC=NC=C1O M10112201P [0,0,0,0,2,0|1,0,0]=3 118 B10R1.61 O=C(O)C1=CN=CC=C1Cl M10112713P [0,0,0,0,2,0|2,0,0]=4 119 B10R1.61 O=C(O)C1=NC=CC=C1O M10022321P [0,0,0,0,2,0|1,0,0]=3