0 B11R1.3 C(C)(N)C1=CC=C(OC)C=C1 MC20521 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 MC20903 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 MC425378 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 CS18730 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 CS12193 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.3 CC(C)C1=CC=C(CBr)C=C1 CS14001 [0,0,0,0,0,0|1,0,1]=2 6 B11R1.3 CC(C)C1=CCC(CO)C=C1 MC428335 [0,0,0,0,0,0|0,0,4]=4 7 B11R1.3 CC(N)C1=CC=C(C#N)C=C1 CS17346 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.3 CC(O)C1=CC=C(C#N)C=C1 CS10987 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.3 CN(C)C1=CC=C(C#N)C=C1 MC40651 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 CS13401 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.3 CN(C)C1=NC=C(C=O)C=C1 MC431722 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.3 CN(C)C1=NC=C(CN)C=C1 MC443720 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.3 COC1=CC=C(C(C)=O)C=C1 MC41262 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.3 COC1=CC=C(C(C)C)C=C1 MC41346 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.3 COC1=CC=C(C(C)N)C=C1 CS13954 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.3 COC1=CC=C(N(C)C)C=C1 MC20811 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.3 FC(F)C1=CC=C(CBr)C=C1 MC432592 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.3 N#CC1=CC=C(C(F)F)C=C1 MC433129 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.3 N=C(N)C1=CC=C(C=O)C=C1 MC106619 [0,0,0,0,0,0|2,0,1]=3 20 B11R1.3 NC(=O)C1=NC=C(C=O)C=C1 MC432013 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.3 O=CC1=CC=C(B(O)O)C=C1 CS20264 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.3 O=CC1=CC=C(B(O)O)C=N1 MC445192 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 CS20792 [0,0,0,0,0,0|2,0,1]=3 24 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=C1 CS19138 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.3 OCC1=CC=C(C(F)F)C=C1 MC102249 [0,0,0,0,0,0|2,0,2]=4 26 B10R1.3 BrCC1=CC=C(CBr)C=C1 MC40512 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.3 C#CC1=CC=C(C=O)C=C1 CS21472 [1,0,0,0,0,0|0,0,2]=3 28 B10R1.3 C#CC1=CC=C(CC)C=C1 CS11051 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.3 C#CC1=CC=C(OC)C=C1 CS21617 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.3 C=CC1=NC=C(CC)C=C1 MC111111 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.3 CCC1=CC=C(CCl)C=C1 MC40596 [1,0,0,0,0,0|1,0,1]=3 32 B10R1.3 CCC1=CC=C(NN)C=C1 CS16126 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.3 COC1=CC=C(C#N)C=C1 CS19381 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.3 COC1=CC=C(C=O)C=C1 CS18687 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.3 COC1=CC=C(CCl)C=C1 MC20866 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.3 COC1=CC=C(CN)C=C1 CS18898 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.3 COC1=CC=C(CO)C=C1 CS22932 [1,0,0,0,0,0|1,0,2]=4 38 B10R1.3 COC1=CC=C(NN)C=C1 CS19581 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.3 COC1=CC=C(OC)C=C1 MC41357 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.3 COC1=CN=C(C=O)C=C1 CS10425 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.3 COC1=CN=C(C=O)N=C1 MC103831 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.3 COC1=NC=C(C=O)C=C1 CS20322 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.3 COC1=NC=C(C=O)C=N1 CS16257 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.3 CSC1=CC=C(CN)C=C1 MC433900 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.3 CSC1=NC=C(C=O)C=N1 MC443841 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.3 N#CC1=CC=C(C=O)C=C1 CS13468 [1,0,0,0,0,0|1,0,1]=3 47 B10R1.3 N#CC1=CC=C(CBr)C=C1 CS18792 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.3 N#CC1=CC=C(CCl)C=C1 CS17835 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.3 N#CC1=CC=C(CN)C=C1 CS19851 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.3 N#CC1=CC=C(CN)C=C1 MC40812 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.3 N#CC1=CN=C(C=O)C=C1 CS12973 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.3 N#CC1=NC=C(C=O)C=C1 CS13188 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.3 NCC1=CC=C(CO)C=C1 CS18290 [1,0,0,0,0,0|1,0,2]=4 54 B10R1.3 O=CC1=CC=C(C=O)C=C1 CS11974 [1,0,0,0,0,0|1,0,1]=3 55 B10R1.3 O=CC1=CC=C(CBr)C=C1 MC41097 [1,0,0,0,0,0|1,0,0]=2 56 B10R1.3 O=CC1=CC=C(CO)C=C1 CS15415 [1,0,0,0,0,0|1,0,0]=2 57 B10R1.3 O=NC1=CC=C(N=O)C=C1 MC21148 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.3 OCC1=CC=C(CBr)C=C1 CS20041 [1,0,0,0,0,0|1,0,2]=4 59 B10R1.3 OCC1=CC=C(CO)C=C1 CS20456 [1,0,0,0,0,0|1,0,2]=4 60 B10R1.13 C=C(C)C1=CC=C(O)C=C1 MC441020 [1,0,0,0,0,0|0,0,3]=4 61 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [1,0,0,0,0,0|1,0,2]=4 63 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [1,0,0,0,0,0|1,0,2]=4 67 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.13 CC(Br)C1=CC=C(F)C=C1 CS16140 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.13 CC(C)C1=CC=C(Br)C=C1 CS19162 [1,0,0,0,0,0|1,0,0]=2 70 B10R1.13 CC(C)C1=CC=C(Cl)N=N1 CS15951 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.13 CC(C)C1=CC=C(N)C=C1 CS22915 [1,0,0,0,0,0|1,0,0]=2 72 B10R1.13 CC(C)C1=CC=C(N)C=N1 CS22406 [1,0,0,0,0,0|2,0,0]=3 73 B10R1.13 CC(C)C1=CN=C(Br)C=C1 MC432364 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.13 CC(C)C1=CN=C(Cl)C=C1 MC107619 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.13 CC(C)C1=CN=C(Cl)N=C1 MC113225 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.13 CC(C)C1=CN=C(N)C=C1 CS21752 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.13 CC(C)C1=NC=C(Br)C=N1 MC441127 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS10540 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS20256 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.13 CC(N)C1=CC=C(F)C=C1 CS19253 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC40832 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC429424 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.13 CC(N)C1=CC=C(I)C=C1 MC113505 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.13 CC(N)C1=CC=C(N)C=C1 CS22422 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.13 CC(N)C1=NC=C(F)C=C1 CS16980 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.13 CC(N)C1=NC=C(F)C=C1 MC102962 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.13 CC(N)c1ccc(Cl)cc1 MC433903 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.13 CC(O)C1=CC=C(F)C=C1 MC33129 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.13 CC(O)C1=CC=C(N)C=C1 MC40728 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.13 CN(C)C1=CC=C(Br)C=C1 CS15132 [1,0,0,0,0,0|2,0,0]=3 91 B10R1.13 CN(C)C1=CC=C(Br)N=C1 CS17769 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 MC20289 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.13 CN(C)C1=CC=C(I)C=C1 CS16430 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS16528 [1,0,0,0,0,0|1,0,1]=3 95 B10R1.13 CN(C)C1=CC=C(O)C=C1 MC442505 [1,0,0,0,0,0|1,0,1]=3 96 B10R1.13 CN(C)C1=NC=C(Br)C=C1 MC425751 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.13 CN(C)C1=NC=C(I)C=C1 CS16969 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.13 CN(C)C1=NC=C(N)C=C1 MC427118 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.13 CN(C)C1=NC=C(N)C=C1 MC427390 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.13 Cc1ccc(C(C)C)cc1 MC444976 [1,0,0,0,0,0|0,0,1]=2 101 B10R1.13 FC(F)C1=CC=C(Br)C=C1 MC33151 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.13 FC1=CC=C(C(Cl)Cl)C=C1 MC33143 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.13 NC1=CC=C(C(F)F)C=C1 CS17592 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.13 O=C1C=CC(C(F)F)=CN1 MC432336 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.13 OC1=CC=C(C(F)F)C=C1 CS15692 [1,0,0,0,0,0|2,0,1]=4 106 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 CS21634 [0,1,0,0,0,0|1,0,1]=3 107 B12R1.5 COC(=O)C1=CN=C(C=O)C=C1 CS11664 [0,1,0,0,0,0|2,0,1]=4 108 B12R1.5 COC1=CC=C(C(O)CN)C=C1 MC431260 [0,1,0,0,0,0|3,0,0]=4 109 B12R1.6 C=CC1=CC=C(C(F)(F)F)C=C1 MC41566 [0,1,0,0,0,0|3,0,0]=4 110 B12R1.6 CC(C)(C)C1=CC=C(CCl)C=C1 MC445129 [0,1,0,0,0,0|1,0,1]=3 111 B12R1.6 CC(C)(C)C1=CC=C(NN)C=C1 CS11191 [0,1,0,0,0,0|2,0,0]=3 112 B12R1.6 CC(C)(C)C1=NC=C(C=O)C=C1 MC106567 [0,1,0,0,0,0|1,0,0]=2 113 B12R1.6 CC(C)(N)C1=CC=C(C#N)C=C1 MC100044 [0,1,0,0,0,0|1,0,1]=3 114 B12R1.6 CC(F)(F)C1=CC=C(C=O)C=C1 MC105908 [0,1,0,0,0,0|1,0,0]=2 115 B12R1.6 CC(F)(F)C1=CC=C(CO)C=C1 MC106100 [0,1,0,0,0,0|1,0,2]=4 116 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 MC41350 [0,1,0,0,0,0|2,0,0]=3 117 B12R1.6 CS(=O)(=O)C1=CC=C(C=O)C=C1 CS20950 [0,1,0,0,0,0|2,0,0]=3 118 B12R1.6 CS(=O)(=O)C1=NC=C(C=O)C=C1 MC443518 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.6 O=CC1=CC=C(C(F)(F)F)C=C1 CS14458 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.6 O=CC1=CN=C(C(F)(F)F)C=C1 CS18279 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.6 O=CC1=NC=C(C(F)(F)F)C=C1 CS17534 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.48 CC(C)C1=CC(O)=C(C=O)C=C1 MC425405 [0,1,0,0,0,0|0,0,0]=1 123 B12R1.48 CC(C)C1=NC(Cl)=C(C=O)C=C1 MC432248 [0,1,0,0,0,0|1,0,0]=2 124 B12R1.48 CN(C)C1=CC(O)=C(C=O)C=C1 CS22463 [0,1,0,0,0,0|1,0,0]=2 125 B12R1.48 COC1=C(Br)C=C(C(C)N)C=C1 MC112069 [0,1,0,0,0,0|3,0,0]=4 126 B12R1.48 COC1=C(N)C=C(C(C)C)C=C1 MC106490 [0,1,0,0,0,0|2,0,0]=3 127 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 MC442234 [0,1,0,0,0,0|2,0,1]=4 128 B12R1.48 O=CC1=C(F)C=C([N+](=O)[O-])C=C1 CS13764 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.48 O=CC1=C(O)C=C(C(=O)O)C=C1 CS18398 [0,1,0,0,0,0|2,0,1]=4 130 B12R1.48 O=CC1=C(O)C=C(C(=O)O)C=C1 MC427435 [0,1,0,0,0,0|2,0,1]=4 131 B12R1.48 O=CC1=C(O)C=C([N+](=O)[O-])C=C1 CS21587 [0,1,0,0,0,0|3,0,0]=4 132 B12R1.113 CC(=O)C1=CC=C(N=C=O)C=C1 MC41029 [0,1,0,0,0,0|1,0,2]=4 133 B12R1.113 CN(C)C1=CC=C(CCO)C=C1 CS22462 [0,1,0,0,0,0|1,0,2]=4 134 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 CS21633 [0,1,0,0,0,0|1,0,1]=3 135 B12R1.256 CC(=O)C1=CC=C(C(C)C)N=C1 MC429993 [0,1,0,0,0,0|1,0,0]=2 136 B12R1.256 CC(=O)C1=CC=C(C(F)F)C=C1 CS16652 [0,1,0,0,0,0|2,0,0]=3 137 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 CS10026 [0,1,0,0,0,0|1,0,0]=2 138 B12R1.256 CC(=O)C1=CN=C(C(=O)O)C=C1 MC431646 [0,1,0,0,0,0|2,0,1]=4 139 B12R1.256 CC(C)C1=CC=C(B(O)O)C=C1 CS21202 [0,1,0,0,0,0|1,0,1]=3 140 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=C1 CS11114 [0,1,0,0,0,0|0,0,0]=1 141 B12R1.256 CC(C)C1=CN=C(C(=O)O)C=C1 MC442699 [0,1,0,0,0,0|1,0,0]=2 142 B12R1.256 CC(N)C1=CC=C([N+](=O)[O-])C=C1 MC428054 [0,1,0,0,0,0|2,0,0]=3 143 B12R1.256 CN(C)C1=CC=C(B(O)O)C=C1 MC442261 [0,1,0,0,0,0|2,0,1]=4 144 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=C1 CS13409 [0,1,0,0,0,0|1,0,0]=2 145 B12R1.256 CN(C)C1=CC=C(C(N)=O)C=C1 CS14909 [0,1,0,0,0,0|1,0,0]=2 146 B12R1.256 CN(C)C1=CC=C([N+](=O)[O-])C=C1 MC40907 [0,1,0,0,0,0|2,0,0]=3 147 B12R1.256 CN(C)C1=NC=C([N+](=O)[O-])C=C1 MC427280 [0,1,0,0,0,0|3,0,0]=4 148 B12R1.256 N=C(N)C1=CC=C(C(=O)O)C=C1 MC431661 [0,1,0,0,0,0|2,0,1]=4 149 B12R1.256 NC(=O)C1=CC=C(B(O)O)C=C1 CS20360 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.256 NC(=O)C1=CC=C([N+](=O)[O-])C=C1 CS10449 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.256 O=C(Cl)C1=CC=C(C(=O)Cl)C=C1 MC40500 [0,1,0,0,0,0|2,0,1]=4 152 B12R1.256 O=C(Cl)C1=CC=C([N+](=O)[O-])C=C1 MC20943 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 CS20267 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.256 O=C(O)C1=CC=C(C(=O)O)C=C1 MC40320 [0,1,0,0,0,0|2,0,1]=4 155 B12R1.256 O=C(O)C1=CC=C(C(F)F)C=C1 MC429961 [0,1,0,0,0,0|2,0,0]=3 156 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 CS15330 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.256 O=[N+]([O-])C1=CC=C(C(F)F)C=C1 MC429237 [0,1,0,0,0,0|3,0,0]=4 158 B12R1.452 CC1=C([N+](=O)[O-])C=CC(C=O)=C1 MC30321 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.452 CN(C)C1=C(F)C=C(C#N)C=C1 MC442217 [0,1,0,0,0,0|2,0,1]=4 160 B12R1.452 O=CC1=CC(Br)=C([N+](=O)[O-])C=C1 CS19648 [0,1,0,0,0,0|3,0,0]=4 161 B12R1.452 O=CC1=CC(Cl)=C(C(=O)O)C=C1 MC429715 [0,1,0,0,0,0|2,0,1]=4 162 B12R1.452 O=CC1=CC(F)=C([N+](=O)[O-])C=C1 MC433441 [0,1,0,0,0,0|3,0,0]=4 163 B12R1.452 O=CC1=CC(O)=C([N+](=O)[O-])C=C1 CS10379 [0,1,0,0,0,0|3,0,0]=4 164 B12R2.9 N#CC1=CC=C(C2CC2)C=C1 MC106587 [0,0,0,1,0,0|1,0,1]=3 165 B12R1.4 CC(=O)OC1=CC=C(C=O)C=C1 MC40005 [0,0,0,0,0,1|1,0,1]=3 166 B12R1.4 CC(C)OC1=NC=C(C#N)C=C1 MC33309 [0,0,0,0,0,1|2,0,1]=4 167 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 MC431953 [0,0,0,0,0,1|2,0,1]=4 168 B12R1.4 O=CC1=CC=C(OC(F)F)C=C1 CS15818 [0,0,0,0,0,1|2,0,0]=3 169 B9R1.1 BrCC1=CC=C(Br)C=C1 CS19166 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.1 BrCC1=CC=C(I)C=C1 CS20172 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.1 C#CC1=CC=C(C)C=C1 CS21552 [2,0,0,0,0,0|1,0,1]=4 172 B9R1.1 C=CC1=CC=C(Br)C=C1 MC41562 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.1 C=CC1=CC=C(F)C=C1 MC33131 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.1 CC1=CC=C(C#N)C=C1 CS19807 [2,0,0,0,0,0|1,0,1]=4 175 B9R1.1 CC1=CC=C(C=O)C=C1 MC41128 [2,0,0,0,0,0|0,0,0]=2 176 B9R1.1 CC1=CC=C(CBr)C=C1 CS22969 [2,0,0,0,0,0|1,0,1]=4 177 B9R1.1 CC1=CC=C(CCl)C=C1 MC40603 [2,0,0,0,0,0|1,0,1]=4 178 B9R1.1 CC1=CC=C(CN)C=C1 CS22970 [2,0,0,0,0,0|1,0,1]=4 179 B9R1.1 CC1=CC=C(CO)C=C1 CS19704 [2,0,0,0,0,0|0,0,2]=4 180 B9R1.1 CC1=CC=C(NN)C=C1 CS19576 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.1 CC1=CN=C(C=O)C=C1 CS19088 [2,0,0,0,0,0|1,0,0]=3 182 B9R1.1 CC1=CN=C(C=O)C=N1 CS12781 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.1 CC1=CN=C(C=O)N=C1 MC103803 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.1 CC1=NC=C(C=O)C=C1 CS19116 [2,0,0,0,0,0|1,0,0]=3 185 B9R1.1 CC1=NC=C(C=O)C=N1 MC444194 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.1 CCC1=CC=C(Br)C=C1 CS10865 [2,0,0,0,0,0|1,0,0]=3 187 B9R1.1 CCC1=CC=C(F)C=C1 MC20965 [2,0,0,0,0,0|1,0,0]=3 188 B9R1.1 CCC1=CC=C(I)C=C1 MC20189 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.1 CCC1=CC=C(N)C=C1 MC40912 [2,0,0,0,0,0|1,0,0]=3 190 B9R1.1 CCC1=CC=C(O)C=C1 MC20188 [2,0,0,0,0,0|0,0,1]=3 191 B9R1.1 CCC1=CN=C(Br)C=C1 CS13124 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.1 CCC1=CN=C(C)C=C1 MC20566 [2,0,0,0,0,0|1,0,1]=4 193 B9R1.1 CCC1=NC=C(Br)C=C1 CS12376 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.1 CNC1=CC=C(Cl)C=C1 MC40891 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.1 CNC1=CC=C(F)C=C1 MC40919 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.1 CNC1=CC=C(I)C=C1 CS22906 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.1 COC1=CC=C(Br)C=C1 MC41310 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.1 COC1=CC=C(Cl)C=C1 MC41327 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.1 COC1=CC=C(F)C=C1 MC30345 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.1 COC1=CC=C(I)C=C1 MC41342 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.1 COC1=CC=C(N)C=C1 CS18580 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.1 COC1=CC=C(O)C=C1 CS22939 [2,0,0,0,0,0|1,0,1]=4 203 B9R1.1 COC1=CC=C(S)C=C1 MC20380 [2,0,0,0,0,0|1,1,0]=4 204 B9R1.1 CSC1=CC=C(O)C=C1 MC20743 [2,0,0,0,0,0|1,0,1]=4 205 B9R1.1 ClC1=CC=C(CBr)C=C1 MC40527 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.1 ClCC1=CC=C(Br)C=C1 CS19167 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.1 ClCC1=CC=C(Cl)C=C1 CS19806 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.1 FC1=CC=C(CBr)C=C1 CS19071 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.1 FC1=CC=C(CCl)C=C1 MC429572 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.1 NC1=CC=C(C=O)C=C1 MC20423 [2,0,0,0,0,0|1,0,0]=3 211 B9R1.1 NC1=CC=C(CO)C=C1 MC33175 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.1 NCC1=CC=C(Br)C=C1 CS19587 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.1 NCC1=CC=C(Cl)C=C1 MC33031 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.1 NCC1=CC=C(F)C=C1 CS18721 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.1 NCC1=CC=C(I)C=C1 MC40836 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.1 NCC1=CC=C(I)C=C1 MC40837 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.1 NCC1=CC=C(O)C=C1 CS22886 [2,0,0,0,0,0|1,0,1]=4 218 B9R1.1 O=C1C=CC(CO)=CN1 CS19816 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.1 O=CC1=CC=C(Br)C=C1 CS18612 [2,0,0,0,0,0|1,0,0]=3 220 B9R1.1 O=CC1=CC=C(Cl)C=C1 CS14843 [2,0,0,0,0,0|1,0,0]=3 221 B9R1.1 O=CC1=CC=C(F)C=C1 CS19072 [2,0,0,0,0,0|1,0,0]=3 222 B9R1.1 O=CC1=CC=C(I)C=C1 CS20133 [2,0,0,0,0,0|1,0,0]=3 223 B9R1.1 O=CC1=CC=C(O)C=C1 CS18686 [2,0,0,0,0,0|1,0,0]=3 224 B9R1.1 O=CC1=CN=C(Br)C=C1 CS13736 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.1 O=CC1=CN=C(Cl)C=C1 CS13978 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.1 O=CC1=CN=C(F)C=C1 CS19261 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.1 O=CC1=CN=C(O)C=C1 CS13494 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.1 O=CC1=NC=C(Br)C=C1 CS14127 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.1 O=CC1=NC=C(Cl)C=C1 CS18956 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.1 O=CC1=NC=C(F)C=C1 CS20057 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.1 O=CC1=NC=C(O)C=C1 CS12167 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.1 OCC1=CC=C(Br)C=C1 CS19378 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.1 OCC1=CC=C(Cl)C=C1 CS19353 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.1 OCC1=CC=C(F)C=C1 MC40711 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.1 OCC1=CC=C(O)C=C1 CS19212 [2,0,0,0,0,0|1,0,1]=4 236 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [2,0,0,0,0,0|1,0,1]=4 237 B9R1.6 CC(Br)C1=CC=CC=C1 MC40570 [2,0,0,0,0,0|1,0,0]=3 238 B9R1.6 CC(C)C1=NC=CC=C1 CS21621 [2,0,0,0,0,0|1,0,0]=3 239 B9R1.6 CC(N)C1=CC=CC=C1 CS10551 [2,0,0,0,0,0|1,0,0]=3 240 B9R1.6 CC(N)C1=CC=CC=C1 MC20344 [2,0,0,0,0,0|1,0,0]=3 241 B9R1.6 CC(N)C1=NC=CC=C1 CS15370 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.6 CC(N)C1=NC=CC=C1 CS20271 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.6 CC(O)C1=CC=CC=C1 MC20383 [2,0,0,0,0,0|1,0,0]=3 244 B9R1.6 CC(O)C1=NC=CC=C1 CS20801 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.6 CC(O)C1=NC=CC=C1 MC20310 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.6 CN(C)C1=CC=CC=C1 MC40906 [2,0,0,0,0,0|1,0,0]=3 247 B9R1.6 CN(C)C1=CC=NC=C1 CS13386 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.6 ClC(Cl)C1=CC=CC=C1 MC40608 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.6 FC(F)C1=CC=CC=C1 MC41442 [2,0,0,0,0,0|2,0,0]=4 251 B11R1.83 C#CC1=CC=C(OCC)C=C1 CS11063 [1,1,0,0,0,0|1,0,1]=4 252 B11R1.83 CCCC1=CC=C(C=O)C=C1 MC41132 [1,1,0,0,0,0|0,0,0]=2 253 B11R1.83 CCCC1=CC=C(CN)C=C1 CS10109 [1,1,0,0,0,0|1,0,1]=4 254 B11R1.83 CCOC1=CC=C(C=O)C=C1 CS22818 [1,1,0,0,0,0|0,0,0]=2 255 B11R1.83 CCOC1=CC=C(CN)C=C1 MC40825 [1,1,0,0,0,0|1,0,1]=4 256 B11R1.83 CCOC1=CC=C(CO)C=C1 CS22820 [1,1,0,0,0,0|0,0,2]=4 257 B11R1.83 CNCC1=CC=C(OC)C=C1 CS18429 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.83 COC1=CC=C(N=C=O)C=C1 MC41047 [1,1,0,0,0,0|1,0,1]=4 259 B11R1.83 COC1=CC=C(\C=N\O)C=C1 MC427343 [1,1,0,0,0,0|1,0,1]=4 260 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 CS10928 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 CS10929 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.83 N#CC1=CC=C(CCBr)C=C1 CS12532 [1,1,0,0,0,0|1,0,1]=4 263 B11R1.83 N#CC1=CC=C(CCN)C=C1 CS22808 [1,1,0,0,0,0|1,0,1]=4 264 B11R1.83 N#CC1=CC=C(CCO)C=C1 CS22434 [1,1,0,0,0,0|1,0,1]=4 265 B11R1.83 O=CC1=CC=C(CCCl)C=C1 MC106352 [1,1,0,0,0,0|0,0,0]=2 266 B11R1.83 O=CC1=CC=C(CCO)C=C1 CS16581 [1,1,0,0,0,0|0,0,0]=2 267 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 MC30287 [1,1,0,0,0,0|1,0,0]=3 268 B11R1.279 COC1=C(C)C=C(C=O)C=C1 CS10892 [1,1,0,0,0,0|1,0,0]=3 269 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 MC41105 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.279 COC1=C(F)C=C(C=O)C=C1 MC30257 [1,1,0,0,0,0|1,0,0]=3 271 B11R1.279 COC1=C(N)C=C(C=O)C=C1 CS22069 [1,1,0,0,0,0|1,0,0]=3 272 B11R1.279 COC1=C(O)C=C(C=O)C=C1 CS15324 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.279 COC1=CC(Br)=C(C=O)C=C1 MC41095 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.279 COC1=CC(C)=C(C=O)C=C1 MC41126 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.279 COC1=CC(Cl)=C(C=O)C=C1 CS14902 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.279 COC1=CC(Cl)=C(C=O)C=N1 MC431794 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.279 COC1=CC(F)=C(C=O)C=C1 CS10812 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.279 COC1=CC(O)=C(C=O)C=C1 CS20937 [1,1,0,0,0,0|1,0,0]=3 279 B11R1.279 COC1=NC(Br)=C(C=O)C=C1 MC431994 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.279 COC1=NC(Cl)=C(C=O)C=C1 MC430651 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.279 COC1=NC(F)=C(C=O)C=C1 MC441123 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.279 COC1=NC=C(C=O)C=C1Br MC430406 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.279 COC1=NC=C(C=O)C=C1F MC115933 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.279 N#CC1=CC(Br)=C(C=O)C=C1 MC41086 [1,1,0,0,0,0|1,0,1]=4 285 B11R1.279 N#CC1=CC(F)=C(C=O)C=C1 CS20609 [1,1,0,0,0,0|1,0,1]=4 286 B11R1.279 N#CC1=CC(O)=C(C=O)C=C1 MC20819 [1,1,0,0,0,0|1,0,1]=4 287 B11R1.279 O=CC1=C(Br)C=C(CO)C=C1 MC427338 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 CS19038 [1,1,0,0,0,0|1,0,0]=3 289 B11R1.19 CC(C)(C)C1=CC=C(I)C=C1 CS20810 [1,1,0,0,0,0|1,0,0]=3 290 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 MC40938 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 CS16411 [1,1,0,0,0,0|0,0,1]=3 292 B11R1.19 CC(C)(N)C1=NC=C(Br)C=C1 MC102695 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.19 CC(C)(O)C1=CC=C(Br)C=C1 CS14403 [1,1,0,0,0,0|1,0,0]=3 294 B11R1.19 CC(C)(O)C1=CC=C(Br)N=C1 MC106089 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.19 CC(C)(O)C1=CC=C(N)N=C1 MC21168 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.19 CC(C)(O)C1=NC=C(Br)C=C1 CS16019 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.19 C[Si](C)(C)c1ccc(F)cc1 MC433556 [1,1,0,0,0,0|1,1,0]=4 298 B11R1.21 CC(C)C1=CC(I)=C(N)C=C1 MC112792 [1,1,0,0,0,0|1,0,0]=3 299 B11R1.21 CC(C)C1=CC(O)=C(I)C=C1 MC443561 [1,1,0,0,0,0|1,0,0]=3 300 B11R1.21 CC(C)C1=CC=C(N)C(N)=C1 MC107237 [1,1,0,0,0,0|1,0,0]=3 301 B11R1.21 CC(N)C1=CC(F)=C(Cl)C=C1 CS14514 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.21 CC(N)C1=CC(F)=C(Cl)C=C1 MC106197 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.21 CC(O)C1=CC(F)=C(F)C=C1 MC40732 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 MC433331 [1,1,0,0,0,0|0,0,1]=3 305 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 MC20541 [1,1,0,0,0,0|0,0,1]=3 306 B11R1.21 CN(C)C1=CC(F)=C(I)C=C1 MC442229 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.22 CC(C#N)C1=CC=C(Br)C=C1 MC427374 [1,1,0,0,0,0|1,0,1]=4 308 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 MC103018 [1,1,0,0,0,0|1,0,0]=3 309 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 MC427281 [1,1,0,0,0,0|1,0,0]=3 310 B11R1.22 CC(CN)C1=CC=C(O)C=C1 MC116255 [1,1,0,0,0,0|0,0,1]=3 311 B11R1.22 CC(NN)C1=CC=C(Cl)C=C1 MC110625 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 CS18281 [1,1,0,0,0,0|1,0,0]=3 313 B11R1.22 FC1=CC=C(C(Br)CBr)C=C1 MC430994 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 MC431262 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 MC442284 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.166 CC(N)C1=C(F)C=C(Br)C=C1 MC106556 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.166 CC(O)C1=C(Cl)C=C(Cl)C=C1 MC40730 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.166 CC1=C(C(C)N)C=CC(F)=C1 MC112478 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.166 CC1=CC(Br)=C(C(C)N)C=C1 MC112224 [1,1,0,0,0,0|1,0,1]=4 320 B11R1.45 CC(C)(C)N1C=C(C=O)C=N1 MC111237 [0,1,0,0,1,0|2,0,0]=4 321 B11R1.175 CC(C)C1=CC=C(C(=O)O)O1 MC428181 [0,1,0,0,1,0|1,0,0]=3 322 B13R1.4 COC1=CC=C(CC(C)(C)N)C=C1 MC445286 [0,1,0,0,0,1|2,0,0]=4 323 B13R1.4 CS(=O)(=O)CC1=CC=C(C=O)C=C1 MC443791 [0,1,0,0,0,1|2,0,0]=4 324 B13R1.4 O=CC1=CC=C(OC(F)(F)F)C=C1 MC41135 [0,1,0,0,0,1|2,0,0]=4 325 B13R1.4 O=CC1=CC=C(SC(F)(F)F)C=C1 MC41137 [0,1,0,0,0,1|2,0,0]=4 326 B13R1.5 COC(=O)CC1=CC=C(C=O)C=C1 MC427596 [0,1,0,0,0,1|1,0,1]=4 327 B13R1.35 CC(C)OC1=CC(F)=C(C=O)C=C1 MC112573 [0,1,0,0,0,1|0,0,0]=2 328 B13R1.35 CC1=C(C#N)C=CC(OC(C)C)=C1 MC40666 [0,1,0,0,0,1|1,0,1]=4 329 B13R1.36 COC1=CC=C(C(O)C(C)C)C=C1 MC33344 [0,1,0,0,0,1|2,0,0]=4 330 B13R1.585 CC(=O)c1ccc(CC(C)C)cc1 MC433246 [0,1,0,0,0,1|0,0,0]=2 331 B13R1.585 CC(=O)c1ccc(OC(F)F)cc1 CS11003 [0,1,0,0,0,1|2,0,0]=4 332 B13R1.585 CC(C)CC1=CC=C(B(O)O)C=C1 MC441536 [0,1,0,0,0,1|1,0,1]=4 333 B13R1.585 CC(C)CC1=CC=C(C(C)N)C=C1 MC431337 [0,1,0,0,0,1|1,0,1]=4 334 B13R1.585 CC(C)OC1=CC=C(B(O)O)C=C1 CS21204 [0,1,0,0,0,1|1,0,1]=4 335 B13R1.585 CC(C)SC1=CC=C(B(O)O)C=C1 MC442919 [0,1,0,0,0,1|1,0,1]=4 336 B13R1.585 CN(C)CC1=CC=C(C(=O)O)C=C1 MC427211 [0,1,0,0,0,1|1,0,0]=3 337 B13R1.585 CN(C)CC1=CC=C(C(=O)O)C=C1 MC427218 [0,1,0,0,0,1|1,0,0]=3 338 B13R1.585 O=C(O)C1=CC=C(OC(F)F)C=C1 MC40275 [0,1,0,0,0,1|2,0,0]=4 339 B13R1.653 O=CC1=CC(O)=C(OC(F)F)C=C1 CS20756 [0,1,0,0,0,1|2,0,0]=4 340 B13R1.39 COC(OC)C1=CC=C(C=O)C=C1 MC41113 [0,2,0,0,0,0|0,0,0]=2 341 B13R1.39 COC(OC)C1=CC=C(CO)C=C1 MC40705 [0,2,0,0,0,0|0,0,2]=4 342 B13R1.39 COC1=CC=C(C(CN)CO)C=C1 MC105885 [0,2,0,0,0,0|2,0,0]=4 343 B13R1.39 COC1=CC=C(C(CN)CO)C=C1 MC105886 [0,2,0,0,0,0|2,0,0]=4 344 B13R1.139 COC(=O)C1=CC=C(CC=O)C=C1 MC106359 [0,2,0,0,0,0|1,0,1]=4 345 B13R1.537 CCC(C)c1ccc([N+](=O)[O-])cc1 MC433490 [0,2,0,0,0,0|1,0,0]=3 346 B13R1.537 COC(=O)C1=CC=C(C(=O)Cl)C=C1 MC40078 [0,2,0,0,0,0|1,0,1]=4 347 B13R1.537 COC(=O)C1=CC=C(C(=O)O)C=C1 CS21635 [0,2,0,0,0,0|1,0,1]=4 348 B13R1.537 COC(=O)C1=CC=C(C(C)=O)C=C1 CS11067 [0,2,0,0,0,0|1,0,1]=4 349 B13R1.537 COC(=O)C1=CC=C(C(C)N)C=C1 CS16094 [0,2,0,0,0,0|1,0,0]=3 350 B13R1.537 O=C(O)C1=CC=C(C(=O)CBr)C=C1 CS21501 [0,2,0,0,0,0|1,0,1]=4 351 B13R1.3088 COC(=O)C1=CC(Br)=C(C=O)C=C1 CS16856 [0,2,0,0,0,0|1,0,1]=4 352 B13R1.3088 COC(=O)C1=CC(F)=C(C=O)C=C1 CS15741 [0,2,0,0,0,0|1,0,1]=4 353 B13R1.38 CC(C)(C)C1=CC(O)=C(C#N)C=C1 MC441063 [0,2,0,0,0,0|1,0,1]=4 354 B13R1.38 COC1=C(Br)C=C(C(C)(C)C)C=C1 MC41324 [0,2,0,0,0,0|2,0,0]=4 355 B13R1.38 CS(=O)(=O)C1=CC(Cl)=C(C=O)C=C1 MC104054 [0,2,0,0,0,0|2,0,0]=4 356 B13R1.38 O=CC1=C(Br)C=C(C(F)(F)F)C=C1 CS21345 [0,2,0,0,0,0|2,0,0]=4 357 B13R1.38 O=CC1=C(Cl)C=C(C(F)(F)F)C=C1 MC433422 [0,2,0,0,0,0|2,0,0]=4 358 B13R1.38 O=CC1=C(F)C=C(C(F)(F)F)C=C1 MC433442 [0,2,0,0,0,0|2,0,0]=4 359 B13R1.96 O=CC1=CC(F)=C(C(F)(F)F)C=C1 MC430195 [0,2,0,0,0,0|2,0,0]=4 360 B13R1.96 O=CC1=CC(O)=C(C(F)(F)F)C=C1 MC432019 [0,2,0,0,0,0|2,0,0]=4 361 B13R1.140 CC(C)(C)C1=CC=C(CC#N)C=C1 CS11700 [0,2,0,0,0,0|1,0,1]=4 362 B13R1.140 CC(C)(C)C1=CC=C(CCO)C=C1 MC40746 [0,2,0,0,0,0|0,0,2]=4 363 B13R1.140 CC(C)(C)C1=CC=C(N=C=S)C=C1 MC41077 [0,2,0,0,0,0|0,1,1]=4 364 B13R1.338 CC(=O)C1=CC=C(C(C)(C)C)N=C1 MC432307 [0,2,0,0,0,0|1,0,0]=3 365 B13R1.338 CC(=O)C1=CC=C(C(F)(F)F)C=C1 CS15700 [0,2,0,0,0,0|2,0,0]=4 366 B13R1.338 CC(=O)C1=CC=C(S(C)(=O)=O)C=C1 CS21115 [0,2,0,0,0,0|2,0,0]=4 367 B13R1.338 CC(C)(C)C1=CC=C(B(O)O)C=C1 CS10031 [0,2,0,0,0,0|1,0,1]=4 368 B13R1.338 CC(C)(C)C1=CC=C(C(=N)N)C=C1 MC111862 [0,2,0,0,0,0|1,0,0]=3 369 B13R1.338 CC(C)(C)C1=CC=C(C(=O)O)C=C1 CS16421 [0,2,0,0,0,0|0,0,0]=2 370 B13R1.338 CC(C)(C)C1=CC=C(C(N)=S)C=C1 CS10081 [0,2,0,0,0,0|0,1,0]=3 371 B13R1.338 CC(C)(C)C1=CN=C(C(=O)O)C=N1 MC121201 [0,2,0,0,0,0|2,0,0]=4 372 B13R1.338 CC(F)(F)C1=CC=C(C(=O)O)C=C1 MC102233 [0,2,0,0,0,0|1,0,0]=3 373 B13R1.338 CS(=O)(=O)C1=CC=C(C(=O)O)C=C1 CS20962 [0,2,0,0,0,0|2,0,0]=4 374 B13R1.338 NC(=O)C1=CC=C(C(F)(F)F)C=C1 MC33067 [0,2,0,0,0,0|2,0,0]=4 375 B13R1.338 O=C(Cl)C1=CC=C(C(F)(F)F)C=C1 MC20087 [0,2,0,0,0,0|2,0,0]=4 376 B13R1.338 O=C(O)C1=CC=C(C(F)(F)F)C=C1 CS20655 [0,2,0,0,0,0|2,0,0]=4 377 B13R1.338 O=C(O)C1=CC=C(C(F)(F)F)C=C1 MC433719 [0,2,0,0,0,0|2,0,0]=4 378 B13R1.338 O=C([O-])C1=CC=C(C(F)(F)F)C=C1 MC40356 [0,2,0,0,0,0|2,0,0]=4 379 B13R1.120 CC(C)C1=C(Br)C=C([N+](=O)[O-])C=C1 CS14586 [0,2,0,0,0,0|1,0,0]=3 380 B13R1.120 CC(C)C1=C(N)C=C([N+](=O)[O-])C=C1 CS16897 [0,2,0,0,0,0|1,0,0]=3 381 B13R1.120 CC1=C([PH](=O)[O-])C=CC(N(C)C)=C1 MC113863 [0,2,0,0,0,0|2,0,0]=4 382 B13R1.120 CN(C)C1=CC=C(C(=O)O)C(Cl)=N1 MC432412 [0,2,0,0,0,0|2,0,0]=4 383 B13R1.120 O=C(O)C1=CC(Br)=C(C(F)F)C=C1 MC429790 [0,2,0,0,0,0|2,0,0]=4 384 B13R1.74 CN(C)C1=CC=C(\C=C\C=O)C=C1 MC20077 [0,2,0,0,0,0|1,0,0]=3 385 B13R1.99 COC1=C(C(F)F)C=CC(C=O)=C1 MC432547 [0,2,0,0,0,0|2,0,0]=4 386 B11R1.159 CC(C)C1=C(O)C(O)=CC=C1 MC443613 [0,0,1,1,0,0|1,0,1]=4 387 B11R1.159 CC(C)C1=CC=CC(Br)=C1O MC442830 [0,0,1,1,0,0|2,0,0]=4 388 B11R1.159 CC(C)C1=CC=CC(Cl)=C1O MC441235 [0,0,1,1,0,0|2,0,0]=4 389 B11R1.159 CC(C)C1=CC=CC(O)=C1F MC442499 [0,0,1,1,0,0|1,0,1]=4 390 B11R1.159 CC1=CC=CC(C(C)C)=C1N MC428273 [0,0,1,1,0,0|2,0,0]=4 391 B11R2.34 BrC1=CC=C(C2CC2)C=C1 CS22811 [1,0,0,1,0,0|1,0,0]=3 392 B11R2.34 BrC1=NC=C(C2CC2)C=C1 MC442244 [1,0,0,1,0,0|2,0,0]=4 393 B11R2.34 CC1=CC=C(C2CO2)C=C1 MC112355 [1,0,0,1,0,0|1,0,1]=4 394 B11R2.34 NC1=CC=C(C2CC2)C=C1 CS17100 [1,0,0,1,0,0|1,0,0]=3 395 B11R2.21 O=CC1=CN=C(C2CC2)S1 CS15084 [0,0,0,1,1,0|2,0,0]=4 396 B13R2.2121 CC1=NC2=C(C=CC(C=O)=C2)S1 MC107171 [0,0,0,1,0,1|1,0,1]=4 397 B13R2.2121 CN1C=C2C=CC(C=O)=CC2=N1 MC104564 [0,0,0,1,0,1|2,0,0]=4 398 B13R2.186 N#CC1=CC=C(C2(N)CC2)C=C1 CS17519 [0,1,0,1,0,0|1,0,1]=4 399 B13R2.2130 CN1C=NC2=C1C=CC(C=O)=C2 CS12145 [0,1,0,1,0,0|1,0,1]=4 400 B13R2.2130 CN1N=NC2=C1C=CC(C=O)=C2 CS20855 [0,1,0,1,0,0|2,0,0]=4 401 B13R2.428 O=C(O)C1=CC=C(C2CC2)C=C1 MC106586 [0,1,0,1,0,0|0,0,0]=2 402 B13R2.428 O=C(O)C1=CN=C(C2CC2)C=C1 CS14886 [0,1,0,1,0,0|1,0,0]=3 403 B13R2.428 O=C(O)C1=CN=C(C2CC2)N=C1 CS14277 [0,1,0,1,0,0|2,0,0]=4 404 B9R1.21 CCC1=CC(C=O)=NO1 MC105910 [1,0,0,0,1,0|2,0,0]=4 405 B9R1.21 CCC1=NC=C(C=O)S1 CS15904 [1,0,0,0,1,0|2,0,0]=4 406 B9R1.21 O=CC1=CC=C(CO)N1 CS16660 [1,0,0,0,1,0|2,0,0]=4 407 B9R1.21 O=CC1=CC=C(CO)O1 CS15585 [1,0,0,0,1,0|2,0,0]=4 408 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 MC433485 [1,0,0,0,0,1|1,0,0]=3 409 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 MC443740 [1,0,0,0,0,1|1,0,0]=3 410 B11R1.20 CC(C)NC1=CC=C(F)C=C1 CS22842 [1,0,0,0,0,1|1,0,0]=3 411 B11R1.20 CC(C)OC1=CC=C(N)C=C1 CS10912 [1,0,0,0,0,1|1,0,0]=3 412 B11R1.20 CC(C)OC1=CC=C(O)C=C1 MC443483 [1,0,0,0,0,1|0,0,1]=3 413 B11R1.20 CC(C)OC1=CN=C(Br)C=C1 MC443766 [1,0,0,0,0,1|2,0,0]=4 414 B11R1.20 CC(C)SC1=CC=C(O)C=C1 MC112512 [1,0,0,0,0,1|0,0,1]=3 415 B11R1.266 CC(C)C1=CC(C#N)=NC=C1 MC102219 [0,0,0,0,1,1|1,0,1]=4 416 B11R1.266 CC(C)C1=CC=CC(CBr)=C1 MC103558 [0,0,0,0,1,1|1,0,1]=4 417 B11R1.266 O=CC1=CN=CC(C(F)F)=C1 MC432143 [0,0,0,0,1,1|2,0,0]=4 418 B11R1.266 O=CC1=NC=CC(C(F)F)=C1 MC431583 [0,0,0,0,1,1|2,0,0]=4 419 B11R1.266 O=Cc1cccc(C(F)F)c1 MC432454 [0,0,0,0,1,1|2,0,0]=4