0 B11R1.21 CC(=O)C1=CC(Cl)=C(C)N=C1 O29923 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.21 CC(=O)C1=CC=C(Br)C(Cl)=C1 M15796 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.21 CC(=O)C1=CC=C(Cl)C(Br)=C1 Q66292 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.21 CC(=O)C1=CC=C(F)C(O)=C1 N25331 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.21 CC(C)C1=CC(I)=C(N)C=C1 N25776 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.21 CC(C)C1=CC=C(Br)C(N)=N1 Q53515 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.21 CC(C)C1=CC=C(Cl)C(Br)=C1 Q67346 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.21 CC(C)C1=CC=C(Cl)C(O)=C1 Q67377 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.21 CC(C)C1=CC=C(I)C(Br)=C1 Q67564 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.21 CC(C)C1=CC=C(O)C(Br)=C1 Q67536 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.21 CC(C)C1=CC=C(O)C(Cl)=N1 Q68845 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.21 CC(N)C1=CC=C(Cl)C(Cl)=C1 P36289 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.21 CC(N)C1=CC=C(Cl)C(F)=C1 P36050 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.21 CC(N)C1=CC=C(F)C(F)=C1 P39119 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.21 CC(O)C1=CC=C(F)C(Br)=C1 Q67058 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.21 CC1=C(O)C=C(B(O)O)C=C1 N25142 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.21 CC1=C(O)C=C(C(=O)O)C=N1 Q60795 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.21 CC1=CC(N(C)C)=NC=C1Br Q67726 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.21 CC1=CC(N(C)C)=NC=C1N P36524 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.21 CC1=CC([C@@H](C)N)=NC=C1Br P43692 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.21 CC1=CC([C@H](C)N)=NC=C1Br O29651 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.21 CC1=CC=C(B(O)O)C=C1Br Q67305 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.21 CC1=CC=C(B(O)O)C=C1N Q66342 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.21 CC1=CC=C(B(O)O)C=C1N Q66343 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.21 CC1=CC=C(C(C)O)C=C1C M22902 [0,0,0,0,0,0|2,0,0]=2 25 B11R1.21 CC1=CC=C(N(C)C)C=C1Br N25454 [0,0,0,0,0,0|2,0,0]=2 26 B11R1.21 CC1=NC=C([N+](=O)[O-])C=C1O Q56568 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.21 O=[N+]([O-])C1=CC(O)=C(F)C=C1 P45931 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.21 O=[N+]([O-])C1=CC=C(Br)C(O)=C1 O31196 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.21 OB(O)C1=CC(O)=C(Br)C=C1 N25862 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.21 OB(O)C1=CC(O)=C(Cl)C=C1 N25249 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.21 OB(O)C1=CC(O)=C(F)C=C1 N24560 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.13 CC(=O)C1=CN=C(C)C=C1 M15462 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.13 CC(=O)C1=NC=C(C)C=C1 O31151 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.13 CC(Br)C1=CC=C(Br)C=C1 P51612 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.13 CC(Br)C1=CC=C(Cl)C=C1 M23061 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.13 CC(C)C1=CN=C(N)C=C1 O34069 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.13 CC(C)C1=CN=C(N)N=C1 Q52535 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.13 CC(C)C1=NC=C(Br)C=N1 L21812 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.13 CC(C)C1=NC=C(N)C=C1 G-7522 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.13 CC(C)C1=NN=C(Br)C=C1 P51559 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 P36954 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.13 CC(N)C1=NC=C(F)C=C1 C-3369 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.13 CC(O)C1=CC=C(Cl)N=C1 P39514 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.13 CC(O)C1=CC=C(N)C=C1 P41199 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.13 CC(O)C1=CC=C(O)C=C1 P39467 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.13 CC(O)C1=CN=C(Br)C=C1 N26195 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.13 CC1=CC=C(C(C)Br)C=C1 M23020 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.13 CC1=CC=C(C(C)O)C=N1 P43130 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.13 CN(C)C1=CC=C(Br)N=C1 O30431 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.13 CN(C)C1=NC=C(Br)C=C1 P39265 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.13 CN(C)C1=NC=C(I)C=C1 N26187 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.13 CN(C)C1=NC=C(N)C=C1 I-9568 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.13 C[C@@H](O)C1=CC=C(Br)N=C1 Q64116 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.13 C[C@@H](O)C1=NC=C(Br)C=C1 Q62335 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 O32464 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.13 C[C@H](O)C1=CC=C(Br)N=C1 Q64115 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Q62334 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.13 FC(F)C1=CC=C(Br)C=C1 P37690 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.13 NC1=CC=C(C(F)F)C=C1 M23361 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.113 C=C(C)C1=CC(C)=CC=C1 P42602 [1,0,0,0,0,0|1,0,2]=4 61 B10R1.113 CC(C)C1=CC(Cl)=NC=C1 Q52823 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.113 CC(C)C1=CC(O)=NC=C1 Q52824 [1,0,0,0,0,0|1,0,0]=2 63 B10R1.113 CC(C)C1=CC=CC(I)=N1 N26566 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.113 CC(C)C1=CN=CC(O)=C1 Q52825 [1,0,0,0,0,0|1,0,0]=2 65 B10R1.113 CC(N)C1=CC(N)=CC=C1 P41777 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.113 CC(N)C1=CC(O)=CC=C1 P36908 [1,0,0,0,0,0|1,0,0]=2 67 B10R1.113 CC(N)C1=CC=CC(Br)=C1 O34417 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.113 CC(N)C1=CC=CC(Br)=C1 P36288 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 P39424 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.113 CC(N)C1=CC=CC(F)=C1 P36296 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.113 CC(N)C1=CN=CC(F)=C1 Q58352 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.113 CC(N)C1=CN=CC(F)=C1 Q58353 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.113 CC(O)C1=CC(Cl)=NC=C1 P42079 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.113 CC(O)C1=NC=CC(Br)=C1 Q53431 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.113 CC1=CC(C(C)N)=CC=C1 O30538 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.113 CC1=CC(C(C)N)=CC=C1 P36543 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.113 CC1=NC([C@@H](C)N)=CC=C1 Q58193 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.113 CC1=NC([C@H](C)N)=CC=C1 Q58196 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.113 CN(C)C1=CC(Br)=CN=C1 N24376 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.113 CN(C)C1=CC(Cl)=NC=C1 M23880 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.113 CN(C)C1=CC=CC(F)=C1 P39813 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.113 CN(C)C1=NC=CC(N)=C1 M23713 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.113 C[C@@H](N)C1=CC(Cl)=NC=C1 F-4328 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 O29507 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 P43499 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 P51333 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.113 OC1=CC(C(F)F)=NC=C1 O31481 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.176 CC1=C(Cl)C=CC(CN)=C1 A-961 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.176 CC1=C(Cl)C=CC(CO)=C1 N25889 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.176 CC1=C(O)C=C(C=O)C=C1 N25292 [1,0,0,0,0,0|1,0,1]=3 91 B10R1.176 CC1=CC(CN)=CC=C1Br P41109 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.176 CC1=CC(CO)=CC=C1Br N24431 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.176 CC1=CC(CO)=CN=C1C Q68801 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.176 CC1=CC=C(C#N)C=C1Cl P39756 [1,0,0,0,0,0|2,0,1]=4 95 B10R1.176 CC1=CC=C(C=O)C=C1Br Q67254 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.176 CC1=CC=C(C=O)C=C1Cl Q67635 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.176 CC1=CC=C(CO)C=C1Br Q67930 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.176 CC1=CN=C(CO)C=C1Br M15476 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.176 CCC1=CC=C(F)C(Br)=C1 N24841 [1,0,0,0,0,0|2,0,0]=3 100 B10R1.176 CCC1=CC=C(N)C(F)=C1 O34054 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.176 CN1C=CC(CN)=CC1=O C-3606 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.176 CN1C=CC(CN)=CC1=O G-6746 [1,0,0,0,0,0|2,0,1]=4 103 B10R1.176 CN1C=CC(CO)=CC1=O C-3604 [1,0,0,0,0,0|2,0,1]=4 104 B10R1.176 COC1=CC(=O)N(C)C=C1 O31429 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.176 COC1=CC=C(Br)C(I)=C1 Q68050 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.176 COC1=CC=C(Br)C(O)=C1 Q66993 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.176 COC1=CC=C(C)C(Br)=C1 N24125 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.176 COC1=CC=C(C)C(Cl)=N1 O32368 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.176 COC1=CC=C(C)C(F)=C1 Q67079 [1,0,0,0,0,0|2,0,0]=3 110 B10R1.176 COC1=CC=C(C)C(O)=C1 Q67987 [1,0,0,0,0,0|1,0,0]=2 111 B10R1.176 COC1=CC=C(F)C(I)=C1 N24584 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.176 COC1=CC=C(F)C(O)=C1 Q67529 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.176 COC1=CC=C(I)C(Br)=C1 Q67866 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.176 COC1=CC=C(N)C(I)=C1 Q52916 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.176 COC1=CC=C(N)C(O)=C1 M15200 [1,0,0,0,0,0|2,0,0]=3 116 B10R1.176 COC1=CC=C(N)C(O)=C1 M15201 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.176 COC1=CC=C(O)C(C)=C1 Q67705 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.176 COC1=CN=C(C)C(Br)=C1 I-9994 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.176 COC1=CN=C(F)C(O)=C1 N27785 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.176 COC1=NC=C(C)C(Br)=C1 Q62263 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.176 COC1=NC=C(Cl)C(O)=C1 N26019 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.176 COC1=NC=C(F)C(O)=C1 O31520 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.176 COC1=NC=C(N)C(O)=C1 O29805 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.176 CSC1=CC(F)=C(F)C=C1 N24442 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.176 CSC1=CC(O)=C(C)C=C1 N26961 [1,0,0,0,0,0|1,0,0]=2 126 B10R1.176 CSC1=CC(O)=C(F)C=C1 N27741 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.176 CSC1=CC=C(Br)C(C)=C1 N24368 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.176 CSC1=CC=C(Br)C(F)=C1 N24385 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.176 CSC1=CC=C(O)C(C)=C1 N24608 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.176 NC1=CC=C(CO)C=C1Cl O27969 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.176 NCC1=CC=C(Cl)C(F)=C1 P36420 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.176 O=CC1=CC=C(F)C(O)=C1 Q67727 [1,0,0,0,0,0|2,0,1]=4 133 B10R1.176 OCC1=CC(O)=C(F)C=C1 N25036 [1,0,0,0,0,0|2,0,0]=3 134 B10R1.176 OCC1=CC=C(Br)C(Cl)=C1 Q67931 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.176 OCC1=CC=C(Cl)C(O)=C1 N25640 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.176 OCC1=CC=C(O)C(Br)=C1 Q68849 [1,0,0,0,0,0|3,0,0]=4 137 B12R1.23 CC(C)(C)C1=CC(Cl)=C(N)C=C1 L20362 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.23 CC1=C(N)C=C(C(C)(C)C)C=C1 K12287 [0,1,0,0,0,0|1,0,0]=2 139 B12R1.23 CC1=C(O)C=C(B(F)(F)F)C=C1 N26651 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.23 NC1=CC=C(C(F)(F)F)C=C1O O30713 [0,1,0,0,0,0|3,0,0]=4 141 B12R1.48 CC(C)C1=CC=C(C=O)C(Br)=C1 N25017 [0,1,0,0,0,0|1,0,1]=3 142 B12R1.48 CC(C)C1=CC=C(C=O)C(Cl)=N1 N26173 [0,1,0,0,0,0|2,0,1]=4 143 B12R1.48 CC(C)C1=NC(=N)C(CN)=CN1 Q58549 [0,1,0,0,0,0|3,0,0]=4 144 B12R1.48 CN(C)C1=CC=C(C=O)C(O)=C1 M15561 [0,1,0,0,0,0|1,0,1]=3 145 B12R1.48 CNC1=CC=C(C(C)=O)C=C1N O31571 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.48 COC1=C(O)C=C(B(O)O)C=C1 N26398 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.48 COC1=CC=C(C(C)=O)C=C1C Q67903 [0,1,0,0,0,0|2,0,1]=4 148 B12R1.48 COC1=CC=C(C(C)C)C=C1Br Q67537 [0,1,0,0,0,0|1,0,0]=2 149 B12R1.56 CC(C)C1=CC=C(Cl)C(C=O)=C1 Q67376 [0,1,0,0,0,0|1,0,1]=3 150 B12R1.56 CC(C)C1=CC=C(Cl)C(CO)=C1 Q68618 [0,1,0,0,0,0|1,0,0]=2 151 B12R1.56 CC1=CC=C(B(O)O)C=C1CO Q66938 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.56 COC1=CC(C(C)=O)=CC=C1F N24115 [0,1,0,0,0,0|2,0,1]=4 153 B12R1.56 COC1=NC(C(C)C)=CC=C1O Q68847 [0,1,0,0,0,0|2,0,0]=3 154 B12R1.232 CC(=O)C1=CC(C)=C(C)C=C1O Q65601 [0,1,0,0,0,0|2,0,1]=4 155 B12R1.232 CC1=CC(C)=C([N+](=O)[O-])C=C1O O31427 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.367 CC1=CC=C(C(=O)CBr)C=C1Br M15182 [0,1,0,0,0,0|2,0,1]=4 157 B12R1.367 CC1=CC=C(C(N)CO)C=C1C P35197 [0,1,0,0,0,0|2,0,0]=3 158 B12R1.367 CC1=CC=C(C(O)CN)C=C1C P36058 [0,1,0,0,0,0|2,0,0]=3 159 B12R1.367 COC(=O)C1=CC=C(C)C(F)=C1 Q68321 [0,1,0,0,0,0|2,0,1]=4 160 B12R1.367 COC(=O)C1=CC=C(C)C(O)=C1 Q67777 [0,1,0,0,0,0|1,0,1]=3 161 B12R1.367 COC(=O)C1=CC=C(I)C(O)=C1 O31949 [0,1,0,0,0,0|2,0,1]=4 162 B12R1.367 COC(=O)C1=NC(O)=C(C)C=C1 M15463 [0,1,0,0,0,0|2,0,1]=4 163 B12R1.367 NC(CO)C1=CC=C(Cl)C(F)=C1 P42063 [0,1,0,0,0,0|3,0,0]=4 164 B12R1.367 NC(CO)C1=CC=C(F)C(Cl)=C1 P35017 [0,1,0,0,0,0|3,0,0]=4 165 B12R1.367 NC(CO)C1=CC=C(F)C(F)=C1 P39677 [0,1,0,0,0,0|3,0,0]=4 166 B12R1.367 NCC(O)C1=CC=C(Cl)C(Cl)=C1 P38572 [0,1,0,0,0,0|3,0,0]=4 167 B12R1.367 NCC(O)C1=CC=C(F)C(F)=C1 P43069 [0,1,0,0,0,0|3,0,0]=4 168 B12R1.367 N[C@@H](CO)C1=CC=C(F)C(Cl)=C1 P35016 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.367 N[C@@H](CO)C1=CC=C(F)C(F)=C1 P39117 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.367 N[C@H](CO)C1=CC=C(F)C(Cl)=C1 P37881 [0,1,0,0,0,0|3,0,0]=4 171 B12R1.367 N[C@H](CO)C1=CC=C(F)C(F)=C1 P41874 [0,1,0,0,0,0|3,0,0]=4 172 B12R1.893 CC(N)C1=CC=C(F)C(F)=C1Br P43563 [0,1,0,0,0,0|3,0,0]=4 173 B12R1.1005 CC(=O)C1=CC(O)=C(F)C(Br)=C1 Q68544 [0,1,0,0,0,0|2,0,1]=4 174 B12R1.1005 CC(C)C1=CC(Br)=C(Cl)C(Br)=C1 N26859 [0,1,0,0,0,0|2,0,0]=3 175 B12R1.1005 CC(C)C1=CC(Br)=C(I)C(Br)=C1 N26839 [0,1,0,0,0,0|2,0,0]=3 176 B12R1.1005 CC(C)C1=CC(Br)=C(O)C(Br)=C1 Q67535 [0,1,0,0,0,0|2,0,0]=3 177 B12R1.1005 CC(C)C1=CC(Cl)=C(N)C(Cl)=C1 N27300 [0,1,0,0,0,0|2,0,0]=3 178 B12R1.1005 CC1=CC(N(C)C)=CC(C)=C1N O32669 [0,1,0,0,0,0|3,0,0]=4 179 B12R2.291 CC1=CC(C2CC2)=CC=C1Br N26041 [0,0,0,1,0,0|2,0,0]=3 180 B12R2.291 ClC1=CC=C(C2CO2)C=C1Cl P37615 [0,0,0,1,0,0|3,0,0]=4 181 B12R2.291 FC1=NC=C(C2CC2)C=C1I N26996 [0,0,0,1,0,0|3,0,0]=4 182 B10R1.58 CC(C)C1=NN(C)C(N)=C1 P51149 [0,0,0,0,1,0|3,0,0]=4 183 B10R1.58 CC1=C(C)NC(C(C)C)=N1 H-8122 [0,0,0,0,1,0|3,0,0]=4 184 B10R1.58 CC1=CN(C(C)C)N=C1N Q61546 [0,0,0,0,1,0|3,0,0]=4 185 B10R1.58 CC1=NN(C(C)C)C=C1Br Q53598 [0,0,0,0,1,0|3,0,0]=4 186 B10R1.194 CC(C)C1=C(N)N(C)N=C1 O32658 [0,0,0,0,1,0|3,0,0]=4 187 B10R1.194 CC1=C(N)N(C(C)C)N=C1 O32479 [0,0,0,0,1,0|3,0,0]=4 188 B12R1.19 CC(C)NC1=NC=C(Cl)C(I)=C1 Q62518 [0,0,0,0,0,1|3,0,0]=4 189 B12R1.19 CC(C)OC1=CC=C(Br)C(Cl)=C1 N24114 [0,0,0,0,0,1|2,0,0]=3 190 B12R1.19 CC(C)OC1=CC=C(Br)C(F)=C1 Q67472 [0,0,0,0,0,1|2,0,0]=3 191 B12R1.19 CC(C)OC1=CC=C(F)C(F)=C1 N24491 [0,0,0,0,0,1|2,0,0]=3 192 B12R1.19 CC(C)OC1=CC=C(F)C(O)=C1 N25367 [0,0,0,0,0,1|1,0,0]=2 193 B12R1.19 CC(C)OC1=CC=C(I)C(Cl)=C1 N26976 [0,0,0,0,0,1|2,0,0]=3 194 B12R1.19 CC(C)OC1=CN=C(F)C(O)=C1 Q68825 [0,0,0,0,0,1|2,0,0]=3 195 B12R1.19 CC1=C(N)C=NC(CC(C)C)=C1 Q62310 [0,0,0,0,0,1|3,0,0]=4 196 B12R1.19 CC1=CC(OC(C)C)=CC=C1Br N25021 [0,0,0,0,0,1|2,0,0]=3 197 B12R1.19 CC1=CC(OC(C)C)=NC=C1Br N26843 [0,0,0,0,0,1|3,0,0]=4 198 B12R1.19 CC1=CC=C(CN(C)C)C=C1Br N27159 [0,0,0,0,0,1|2,0,0]=3 199 B12R1.19 CC1=CC=C(OC(C)C)C=C1Br Q67569 [0,0,0,0,0,1|1,0,0]=2 200 B12R1.19 CC1=CC=C(OC(C)C)C=C1I N27183 [0,0,0,0,0,1|1,0,0]=2 201 B12R1.19 CC1=CC=C(OC(C)C)C=C1O N26105 [0,0,0,0,0,1|0,0,0]=1 202 B12R1.19 CC1=NC(OC(C)C)=CC=C1Br Q67594 [0,0,0,0,0,1|3,0,0]=4 203 B12R1.19 CN(C)CC1=CC=C(Br)C(Cl)=C1 N25435 [0,0,0,0,0,1|3,0,0]=4 204 B9R1.1 CC1=CC=C(CN)C=N1 C-3518 [2,0,0,0,0,0|2,0,0]=4 205 B9R1.1 CC1=CC=C(CO)C=N1 H-8186 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.1 CC1=CN=C(CO)C=C1 N24952 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.1 CCC1=CC=C(Br)N=C1 Q57112 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.1 CCC1=CC=C(Cl)N=C1 Q57111 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.1 CCC1=CC=C(N)C=N1 A-656 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.1 CCC1=NC=C(Br)C=C1 G-6695 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.1 CNC1=CC=C(I)C=C1 P37124 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.1 CNC1=CC=C(N)C=C1 P37009 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.1 CNC1=CC=C(O)C=C1 P41056 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.1 COC1=NC=C(C)C=C1 Q67071 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.1 CSC1=NC=C(C)C=C1 N24295 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.1 NCC1=CC=C(I)C=C1 P38306 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.1 OCC1=CC=C(S)C=C1 O32480 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.6 CC(C)C1=NC=CC=C1 C-3354 [2,0,0,0,0,0|1,0,0]=3 219 B9R1.6 CC(N)C1=CC=NC=C1 P37797 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.6 CC(N)C1=NC=CC=C1 P38151 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Q53046 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.6 C[C@@H](N)C1=CN=CC=C1 Q54675 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.2 C#CC1=CC(O)=CC=C1 P42883 [2,0,0,0,0,0|0,0,2]=4 224 B9R1.2 CCC1=CC(Br)=NC=C1 P45487 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.2 CCC1=CC=CC(Br)=N1 Q52717 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.2 CCC1=CC=CC(Cl)=N1 Q62319 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.2 CCC1=CC=CC(F)=N1 Q62318 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.2 CCC1=NC=CC(N)=C1 L18226 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.2 CNC1=CC(O)=CC=C1 P41161 [2,0,0,0,0,0|1,0,0]=3 230 B9R1.2 CNC1=CC=CC(I)=C1 P37043 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.2 COC1=CN=CC(O)=C1 O31805 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.2 COC1=NC=CC(O)=C1 N25339 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.2 CSC1=CN=CC(O)=C1 N26050 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.2 NCC1=CC(O)=CC=C1 P36367 [2,0,0,0,0,0|1,0,0]=3 235 B9R1.2 NCC1=CC=CC(F)=C1 N26365 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.2 NCC1=NC=CC(O)=C1 O29566 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.2 OC1=CC=CC(CBr)=C1 O29845 [2,0,0,0,0,0|1,0,0]=3 238 B9R1.69 CC1=C(O)C=C(I)C=C1 N25358 [2,0,0,0,0,0|1,0,0]=3 239 B9R1.69 CC1=CC(N)=C(C)N=C1 Q52631 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.69 CC1=CC(O)=C(N)N=C1 M15013 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.69 CC1=CC=C(Br)C(O)=C1 Q66624 [2,0,0,0,0,0|1,0,0]=3 242 B9R1.69 CC1=CC=C(Br)C(O)=N1 P38466 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.69 CC1=CC=C(Cl)C(I)=C1 N24139 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.69 CC1=CC=C(I)C=C1Br Q67390 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.69 CC1=CC=C(O)C=C1I N25087 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.69 CC1=CC=C(O)C=C1O Q67730 [2,0,0,0,0,0|1,0,0]=3 247 B9R1.69 CC1=CN=C(Br)C(O)=C1 O31217 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.69 CC1=CN=C(C)C=C1Cl Q52588 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.69 CC1=CN=C(F)C(O)=C1 N24979 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.69 OC1=C(Br)C=CC(Br)=C1 N24223 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.69 OC1=C(F)C=CC(I)=C1 N25346 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.69 OC1=CC(I)=CC=C1Br N25131 [2,0,0,0,0,0|2,0,0]=4 253 B11R1.3 C#CC1=CC=C(N(C)C)C=C1 O27944 [1,1,0,0,0,0|1,0,1]=4 254 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 L20737 [1,1,0,0,0,0|1,0,1]=4 255 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 P36753 [1,1,0,0,0,0|1,0,1]=4 256 B11R1.3 CC(N)C1=CC=C(C#N)C=C1 P35710 [1,1,0,0,0,0|1,0,1]=4 257 B11R1.3 CC(N)C1=CC=C(CO)C=C1 P38103 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.3 CC(O)C1=CC=C(C#N)C=C1 P37663 [1,1,0,0,0,0|1,0,1]=4 259 B11R1.3 CCC1=CC=C(C(C)N)C=C1 P41160 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.3 CCC1=CC=C(C(C)O)C=C1 M22873 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.3 CN(C)C1=CC=C(CN)C=C1 P40156 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.3 CN(C)C1=CC=C(CO)C=C1 O28119 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.3 CN(C)C1=NC=C(CCl)C=C1 L19285 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.3 CN(C)C1=NC=C(CO)C=C1 Q67746 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.3 CNC1=CC=C(N(C)C)C=C1 P37575 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.3 COC1=CN=C([C@@H](C)N)C=C1 Q62470 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.19 CC(C)(C)C1=CC=C(Br)N=C1 P49742 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.19 CC(C)(C)C1=CC=C(N)N=C1 Q52925 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.19 CC(C)(C)C1=CN=C(Cl)C=C1 P49958 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.19 CC(C)(C)C1=CNC(=O)C=C1 Q52705 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 P40451 [1,1,0,0,0,0|1,0,0]=3 272 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 P42464 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.19 CC(C)(N)C1=CC=C(Cl)C=C1 P40452 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 O30550 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 P42234 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.19 CC(C)(N)C1=NC=C(F)C=C1 Q69598 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.19 CC(C)(O)C1=CC=C(Br)C=C1 P39871 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.19 CC(C)(O)C1=CC=C(N)N=C1 Q53407 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.19 CC1=CC=C(C(C)(C)N)C=C1 P36818 [1,1,0,0,0,0|0,0,0]=2 280 B11R1.19 CC1=CC=C(C(C)(C)N)C=N1 Q58436 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.19 CC1=CC=C(C(C)(C)O)C=N1 O33635 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.22 CC(C#N)C1=CC=C(Br)C=C1 P38144 [1,1,0,0,0,0|1,0,1]=4 283 B11R1.22 CC(C#N)C1=CC=C(F)C=C1 P37672 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 P39316 [1,1,0,0,0,0|1,0,0]=3 285 B11R1.22 CC(CN)C1=CC=C(F)C=C1 P38013 [1,1,0,0,0,0|1,0,0]=3 286 B11R1.22 CC(NN)C1=CC=C(Br)C=C1 L20939 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.22 CC(NN)C1=CC=C(Cl)C=C1 L20940 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 P37504 [1,1,0,0,0,0|1,0,1]=4 289 B11R1.22 CC1=CC=C(C(N)CO)C=C1 P40922 [1,1,0,0,0,0|1,0,0]=3 290 B11R1.22 CC1=CC=C(C(O)CN)C=C1 P37591 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 P36899 [1,1,0,0,0,0|1,0,0]=3 292 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 P38803 [1,1,0,0,0,0|1,0,0]=3 293 B11R1.22 CCC(N)C1=CC=C(Br)C=C1 P36287 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 P36295 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.22 CCC(N)C1=CC=C(F)C=C1 P36286 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.22 CCC(O)C1=CC=C(Cl)C=C1 P41437 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.22 CCN(C)C1=CC=C(N)C=C1 P39418 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.22 NC(CO)C1=CC=C(Br)C=C1 P39994 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.22 NC(CO)C1=CC=C(Cl)C=C1 P40406 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.22 NC(CO)C1=CC=C(F)C=C1 P41377 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 P38182 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 P38165 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.22 NCC(O)C1=CC=C(F)C=C1 P38012 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 P38585 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 P42773 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 P40509 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 P43288 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 P40187 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 P39567 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.166 CC(=O)C1=CC=C(C)C=C1Br P42929 [1,1,0,0,0,0|1,0,1]=4 311 B11R1.166 CC(C)C1=C(I)C=C(Cl)C=C1 N26662 [1,1,0,0,0,0|1,0,0]=3 312 B11R1.166 CC(C)C1=CC=C(Cl)C=C1N Q68189 [1,1,0,0,0,0|1,0,0]=3 313 B11R1.166 CC(C)C1=CN=C(Cl)C=C1N O32387 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.166 CC(C)N1C=CC(N)=CC1=O L21753 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.166 CC(C)N1C=CC(N)=CC1=O Q52511 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.166 CC(N)C1=CC=C(F)C=C1F P37148 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.166 CC1=CC=C(C(C)N)C(C)=C1 P42949 [1,1,0,0,0,0|1,0,0]=3 318 B11R1.166 CN(C)C1=C(Cl)C=C(Br)C=C1 N26369 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.23 CC1=CC(C(N)CO)=CC=C1 P42443 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.23 CC1=CC(C(O)CN)=CC=C1 P37590 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.23 CC1=CC([C@H](N)CO)=CC=C1 P42962 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.23 CCC(N)C1=CC=CC(Cl)=C1 P38298 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.23 CCC(O)C1=CC=CC(Cl)=C1 P38851 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.23 NC(CO)C1=CC=CC(Br)=C1 P40234 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.23 NC(CO)C1=CC=CC(Cl)=C1 P40407 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.23 NC(CO)C1=CC=CC(F)=C1 P40409 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.23 NCC(=O)C1=CC=CC(O)=C1 P41173 [1,1,0,0,0,0|1,0,1]=4 328 B11R1.23 NCC(O)C1=CC=CC(Br)=C1 P38183 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.23 NCC(O)C1=CC=CC(Cl)=C1 P37589 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.23 NCC(O)C1=CC=CC(F)=C1 P38243 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 P51568 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 P39827 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 P35059 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 P42255 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=C1 P39826 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 P36766 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 P38815 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.74 CC(C)C1=CC(Br)=CC(Br)=C1 P43231 [1,1,0,0,0,0|1,0,0]=3 339 B11R1.74 CC(C)C1=CC(Br)=CC(I)=C1 N27290 [1,1,0,0,0,0|1,0,0]=3 340 B11R1.74 CC(C)C1=CC(Cl)=CC(Cl)=C1 N26874 [1,1,0,0,0,0|1,0,0]=3 341 B11R1.74 CC(C)C1=CC(O)=CC(=O)O1 L22273 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.74 CC(C)C1=CC(O)=CC(Br)=C1 N25795 [1,1,0,0,0,0|0,0,0]=2 343 B11R1.74 CC(O)C1=CC(Cl)=CC(Cl)=C1 P40306 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.74 CC1=CC(Br)=CC(C(C)N)=C1 P43562 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.74 CN(C)C1=CC(F)=CC(Br)=C1 N24299 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.74 CN(C)C1=CC(F)=CC(I)=C1 N26585 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.74 CN(C)C1=CC(F)=CC(O)=C1 N27265 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.155 CC(C)(C)C1=CC(N)=NC=C1 Q52923 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.155 CC(C)(C)C1=CN=CC(N)=C1 P51650 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.155 CC(C)(N)C1=CC(Br)=CN=C1 Q56651 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.155 CC(C)(N)C1=CC=CC(Br)=C1 O32516 [1,1,0,0,0,0|1,0,0]=3 352 B11R1.155 CC(C)(N)C1=CC=CC(Cl)=C1 P40456 [1,1,0,0,0,0|1,0,0]=3 353 B11R1.155 CC(C)(N)C1=CC=CC(F)=C1 P36302 [1,1,0,0,0,0|1,0,0]=3 354 B11R1.155 CC(C)(N)C1=NC(F)=CC=C1 Q69597 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.155 CC(C)(O)C1=CC(Br)=CN=C1 N25428 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.155 CC(C)(O)C1=CC(Br)=NC=C1 Q61023 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.155 CC(C)(O)C1=CC(N)=NC=C1 Q62274 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.155 CC1=CC(C(C)(C)N)=CC=C1 P38927 [1,1,0,0,0,0|1,0,0]=3 359 B11R1.159 CC(O)C1=CC=CC(Cl)=C1Cl P37496 [1,1,0,0,0,0|2,0,0]=4 360 B11R1.159 CC1=C(N)C(C(C)C)=CC=C1 F-4250 [1,1,0,0,0,0|1,0,0]=3 361 B11R1.159 CC1=C(N)C(C(C)C)=NC=C1 K16137 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.167 CC(=O)C1=CC(O)=CC=C1C N26381 [1,1,0,0,0,0|1,0,1]=4 363 B11R1.167 CC(C)C1=C(Cl)C=CC(Br)=C1 N25225 [1,1,0,0,0,0|1,0,0]=3 364 B11R1.167 CC(C)C1=C(N)C=CC(Br)=C1 N24267 [1,1,0,0,0,0|1,0,0]=3 365 B11R1.167 CC(C)C1=CC(Br)=CC=C1I Q67805 [1,1,0,0,0,0|1,0,0]=3 366 B11R1.167 CC(C)C1=CC(Br)=CC=C1O Q67880 [1,1,0,0,0,0|1,0,0]=3 367 B11R1.167 CC(C)C1=CC(O)=CC=C1Br N25884 [1,1,0,0,0,0|0,0,0]=2 368 B11R1.167 CC(C)C1=NC(Cl)=CC=C1Br Q62469 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.167 CC(C)N1C=C(Br)C=CC1=O Q67740 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.167 CC(O)C1=CC(Br)=CC=C1F Q66925 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.266 CC(C)C1=CC(C=O)=CC=C1 Q68460 [1,1,0,0,0,0|0,0,1]=3 372 B11R1.266 CC(C)C1=CC(CBr)=CC=C1 I-9079 [1,1,0,0,0,0|1,0,0]=3 373 B11R1.266 CC(C)C1=CC(CO)=CC=C1 Q68461 [1,1,0,0,0,0|0,0,0]=2 374 B11R1.266 CC(C)C1=NC(C#N)=CC=C1 C-3364 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.266 COC1=CC=CC(C(C)C)=C1 N26938 [1,1,0,0,0,0|0,0,0]=2 376 B11R1.266 COC1=CC=CC(C(C)C)=N1 Q67092 [1,1,0,0,0,0|1,0,0]=3 377 B11R1.266 COC1=CN=CC(N(C)C)=C1 M23830 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.14 CC1=C(F)C=C(CO)C=C1F N27746 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.14 COC1=CC(F)=C(C)C(F)=C1 N24237 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.192 CC1=CC=C(CC#N)C=C1C P38953 [1,1,0,0,0,0|1,0,1]=4 381 B11R1.192 CCOC1=CC(F)=C(C)C=C1 N24366 [1,1,0,0,0,0|1,0,0]=3 382 B11R1.192 CCOC1=CC=C(Br)C(C)=C1 Q66720 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.192 CCOC1=CC=C(Br)C(Cl)=C1 Q66397 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.192 CCOC1=CC=C(Br)C(F)=C1 Q67492 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.192 CCOC1=CC=C(C)C(Br)=C1 N26273 [1,1,0,0,0,0|1,0,0]=3 386 B11R1.192 CCOC1=CC=C(C)C(O)=C1 N25713 [1,1,0,0,0,0|0,0,0]=2 387 B11R1.192 CCOC1=CC=C(F)C(O)=C1 N25197 [1,1,0,0,0,0|1,0,0]=3 388 B11R1.192 CCOC1=CC=C(O)C(Cl)=C1 N25132 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.192 CCOC1=NC=C(Cl)C(O)=C1 N27115 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.192 CNCC1=CC=C(C)C(C)=C1 P40736 [1,1,0,0,0,0|1,0,0]=3 391 B11R1.192 CNCC1=CC=C(F)C(Br)=C1 Q66119 [1,1,0,0,0,0|2,0,0]=4 392 B11R1.192 CNCC1=CC=C(F)C(Cl)=C1 Q66040 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.192 CNCC1=CC=C(F)C(F)=C1 P36292 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.192 COCC1=CC=C(Br)C(C)=C1 N26886 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.192 COCC1=CC=C(Cl)C(Br)=C1 N26925 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.192 ClC1=CC=C(CCBr)C=C1Cl P38351 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.192 FC1=CC=C(CCBr)C=C1F P40504 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.192 NCCC1=CC=C(Cl)C(F)=C1 O32009 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.192 NCCC1=CC=C(F)C(F)=C1 P39635 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.192 OCCC1=CC=C(F)C(F)=C1 P39050 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.192 OCCC1=CC=C(O)C(O)=C1 M15188 [1,1,0,0,0,0|1,0,0]=3 402 B11R1.277 CC1=C(Br)C=C(CO)C(F)=C1 Q67972 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.277 CC1=C(C)C=C(CO)C(Br)=C1 O29721 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.277 CC1=CC(=O)C(CO)=CC1=O P43277 [1,1,0,0,0,0|1,0,1]=4 405 B11R1.277 CCC1=C(Br)C=C(F)C(O)=C1 H-8878 [1,1,0,0,0,0|1,0,0]=3 406 B11R1.277 COC1=C(Br)C=C(C)C(N)=C1 O34338 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.277 COC1=CC(C)=C(C)C=C1Br N27766 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.278 CC1=C(Cl)C(C)=C(CO)C=C1 N27485 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.278 CC1=C(Cl)C(Cl)=C(CO)C=C1 N25467 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.278 CC1=CC=C(CO)C(C)=C1F Q68438 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.278 CCN1C=CC(=O)C(O)=C1C O32184 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.278 COC1=C(Cl)C(O)=C(F)C=C1 Q67110 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.278 COC1=C(F)C(O)=C(F)C=C1 Q67901 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.278 COC1=CC=C(Br)C(O)=C1F N24235 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.278 CSC1=CC=C(F)C(O)=C1Br N27806 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.278 CSC1=CC=C(F)C(O)=C1F N27542 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.279 BrCC1=CC=C(CBr)C(I)=C1 Q69582 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.279 CCC1=CC=C(OC)C=C1N O30194 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.279 COC1=CC=C(CBr)C=C1Br N25169 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.279 COC1=CC=C(CO)C(Br)=C1 N24390 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.279 COC1=CC=C(CO)C(C)=C1 N24982 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.279 COC1=CC=C(CO)C(Cl)=C1 N25365 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.279 COC1=CC=C(CO)C(F)=C1 P38219 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.279 COC1=CC=C(CO)C(O)=C1 N24302 [1,1,0,0,0,0|1,0,0]=3 425 B11R1.279 COC1=CC=C(CO)C=C1Br Q67814 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.279 COC1=CC=C(CO)C=C1C Q67936 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.279 COC1=CC=C(CO)C=C1Cl Q67888 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.279 COC1=CC=C(CO)C=C1F Q65952 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.279 COC1=CC=C(OC)C(O)=C1 N24557 [1,1,0,0,0,0|1,0,0]=3 430 B11R1.279 COC1=CN=C(CO)C=C1O O31707 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.279 CSC1=C(F)C=C(CO)C=C1 N25670 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.279 ClCC1=CC=C(CCl)C(I)=C1 Q69779 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.279 FC1=CC(CCl)=CC=C1CCl Q69781 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.279 OCC1=CC=C(CO)C(I)=C1 Q69581 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 N24454 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.280 COC1=CC(C=O)=CC=C1C Q66680 [1,1,0,0,0,0|1,0,1]=4 437 B11R1.280 COC1=CC(CN)=CC=C1C O32190 [1,1,0,0,0,0|1,0,0]=3 438 B11R1.280 COC1=CC(CO)=CC=C1Br N24448 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.280 COC1=CC(CO)=CC=C1C P37968 [1,1,0,0,0,0|1,0,0]=3 440 B11R1.280 COC1=CC(CO)=CC=C1F Q67723 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.280 COC1=CC(SC)=CC=C1F Q68737 [1,1,0,0,0,0|2,0,0]=4 442 B11R1.280 COC1=CC=C(Br)C(CO)=C1 N24471 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.280 COC1=CC=C(C)C(C=O)=C1 N25574 [1,1,0,0,0,0|1,0,1]=4 444 B11R1.280 COC1=CC=C(C)C(CO)=C1 N26133 [1,1,0,0,0,0|1,0,0]=3 445 B11R1.280 COC1=CC=C(F)C(CO)=C1 Q68155 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.280 COC1=CC=C(O)C(CO)=C1 Q68387 [1,1,0,0,0,0|2,0,0]=4 447 B13R1.35 CC(C)OC1=CC=C(C=O)C(F)=C1 N26364 [0,1,0,0,0,1|1,0,1]=4 448 B13R1.35 CC(C)OC1=CC=C(CO)C(Cl)=C1 N26346 [0,1,0,0,0,1|1,0,0]=3 449 B13R1.35 CC(C)OC1=CC=C(CO)C(F)=C1 O29118 [0,1,0,0,0,1|1,0,0]=3 450 B13R1.35 COC1=C(C)C=C(OC(C)C)C=C1 N26994 [0,1,0,0,0,1|1,0,0]=3 451 B13R1.52 CC(C)OC1=CN=C(F)C(CO)=C1 Q68470 [0,1,0,0,0,1|2,0,0]=4 452 B13R1.52 CC(C)OC1=NC=C(Cl)C(CO)=C1 O29096 [0,1,0,0,0,1|2,0,0]=4 453 B13R1.52 CC(C)OC1=NC=C(F)C(CO)=C1 N27637 [0,1,0,0,0,1|2,0,0]=4 454 B13R1.52 CC1=CC=C(OC(C)C)C=C1C=O N25098 [0,1,0,0,0,1|0,0,1]=3 455 B13R1.876 CC(C)OC1=C(Cl)C=C(Br)C(F)=C1 N27345 [0,1,0,0,0,1|2,0,0]=4 456 B13R1.876 CC(C)OC1=CC(F)=C(Br)C=C1F O29231 [0,1,0,0,0,1|2,0,0]=4 457 B13R1.876 CC(C)OC1=CC(F)=C(F)C=C1Br N24204 [0,1,0,0,0,1|2,0,0]=4 458 B13R1.876 CC1=C(C)C=C(OC(C)C)C(Br)=C1 N27182 [0,1,0,0,0,1|1,0,0]=3 459 B13R1.3528 CC1=C(Br)C=CC(OC(C)C)=C1C N26897 [0,1,0,0,0,1|2,0,0]=4 460 B13R1.3763 CC1=C(O)N=C(CC(C)C)N=C1Cl Q58550 [0,1,0,0,0,1|2,0,0]=4 461 B13R1.3763 CC1=CC(OC(C)C)=CC(C)=C1Br Q67659 [0,1,0,0,0,1|2,0,0]=4 462 B13R1.3763 CC1=CC(OC(C)C)=CC(C)=C1O N26617 [0,1,0,0,0,1|2,0,0]=4 463 B13R1.3800 CC(C)C1=CC(O)=C(O)C(=O)C=C1 I-9075 [0,1,0,0,0,1|1,0,0]=3 464 B13R1.38 COC1=CC=C(C(F)(F)F)C=C1O N24245 [0,2,0,0,0,0|2,0,0]=4 465 B13R1.120 CC(C)C1=CC=C(B(O)O)C(Br)=C1 Q67876 [0,2,0,0,0,0|2,0,0]=4 466 B13R1.120 CC(C)C1=CC=C(C(=O)O)C(Br)=C1 N27306 [0,2,0,0,0,0|1,0,1]=4 467 B13R1.120 CC(C)C1=CC=C(C(=O)O)C(F)=C1 K12232 [0,2,0,0,0,0|1,0,1]=4 468 B13R1.120 CC(C)C1=CC=C(C(=O)O)C(N)=C1 K12292 [0,2,0,0,0,0|1,0,1]=4 469 B13R1.120 CC(C)C1=CC=C(C(=O)O)C(O)=N1 S72500 [0,2,0,0,0,0|1,0,1]=4 470 B13R1.652 COC1=C(Br)C=C(C(C)C)C(F)=C1 C-3734 [0,2,0,0,0,0|1,0,0]=3 471 B13R1.3088 COC(=O)C1=CC=C(OC)C(O)=C1 G-7853 [0,2,0,0,0,0|1,0,1]=4 472 B13R1.3091 CNC1=C(C=O)C=C(C(C)C)C=N1 Q60361 [0,2,0,0,0,0|1,0,1]=4 473 B13R1.3091 COC1=CC=C(C(C)N)C=C1OC P37764 [0,2,0,0,0,0|1,0,0]=3 474 B13R1.3380 COC1=C(Br)C=C(C(C)C)C=C1Br N26828 [0,2,0,0,0,0|1,0,0]=3 475 B13R1.13 CC(C)C1=CC=C(Cl)C(B(O)O)=C1 N24716 [0,2,0,0,0,0|1,0,0]=3 476 B13R1.13 CC(C)C1=CC=C(Cl)C(C(=O)O)=C1 N25460 [0,2,0,0,0,0|1,0,0]=3 477 B13R1.13 CC1=CC=C(N(C)C)C=C1B(O)O Q67263 [0,2,0,0,0,0|1,0,0]=3 478 B13R1.651 CC1=C(N=O)C=C(C(C)C)C(O)=C1 P39479 [0,2,0,0,0,0|0,0,1]=3 479 B13R1.331 CCN(CC)C1=CC=C(C)C(Br)=C1 N25206 [0,2,0,0,0,0|2,0,0]=4 480 B11R1.53 CC(C)C1=C(C=O)N=CC=C1 Q62375 [0,0,1,1,0,0|1,0,1]=4 481 B11R1.53 CC(C)C1=C(CO)N=CC=C1 Q62374 [0,0,1,1,0,0|1,0,1]=4 482 B11R2.34 BrC1=CC=C(C2CC2)C=C1 O30566 [1,0,0,1,0,0|1,0,0]=3 483 B11R2.34 BrC1=CC=C(C2CO2)C=C1 P38852 [1,0,0,1,0,0|2,0,0]=4 484 B11R2.34 CC1=CC=C(C2CN2)C=C1 P36371 [1,0,0,1,0,0|1,0,0]=3 485 B11R2.34 ClC1=CC=C(C2CN2)C=C1 P36104 [1,0,0,1,0,0|2,0,0]=4 486 B11R2.34 ClC1=NC=C(C2CC2)C=C1 Q67831 [1,0,0,1,0,0|2,0,0]=4 487 B11R2.34 FC1=CC=C(C2CO2)C=C1 P40301 [1,0,0,1,0,0|2,0,0]=4 488 B11R2.34 FC1=NC=C(C2CC2)C=C1 N26245 [1,0,0,1,0,0|2,0,0]=4 489 B11R2.34 NC1=CC=C(C2CC2)C=C1 P38877 [1,0,0,1,0,0|1,0,0]=3 490 B11R2.34 NC1=CC=C(C2CC2)N=C1 P42501 [1,0,0,1,0,0|2,0,0]=4 491 B11R2.34 OC1=CC=C(C2CC2)C=C1 P42947 [1,0,0,1,0,0|1,0,0]=3 492 B11R2.35 BrC1=CC(C2CO2)=CC=C1 P39092 [1,0,0,1,0,0|2,0,0]=4 493 B11R2.35 BrC1=CC=CC(C2CC2)=C1 O31879 [1,0,0,1,0,0|1,0,0]=3 494 B11R2.35 BrC1=CN=CC(C2CC2)=C1 N25476 [1,0,0,1,0,0|2,0,0]=4 495 B11R2.35 ClC1=CC(C2CC2)=CC=N1 I-9975 [1,0,0,1,0,0|2,0,0]=4 496 B11R2.35 ClC1=CC(C2CO2)=CC=C1 P39883 [1,0,0,1,0,0|2,0,0]=4 497 B11R2.35 FC1=CC(C2CO2)=CC=C1 P40300 [1,0,0,1,0,0|2,0,0]=4 498 B11R2.35 FC1=CN=CC(C2CC2)=C1 N27151 [1,0,0,1,0,0|2,0,0]=4 499 B11R2.35 NC1=CC(C2CC2)=NC=C1 M23384 [1,0,0,1,0,0|2,0,0]=4 500 B11R2.35 OC1=CC=CC(C2CC2)=C1 O30101 [1,0,0,1,0,0|0,0,0]=2 501 B13R2.1057 CC1=CC=C(C2(N)CC2)C=C1C P41899 [0,1,0,1,0,0|1,0,0]=3 502 B13R2.1057 NC1(C2=CC=C(Br)C(F)=C2)CC1 M22884 [0,1,0,1,0,0|2,0,0]=4 503 B13R2.1057 NC1(C2=CC=C(Cl)C(Cl)=C2)CC1 P37944 [0,1,0,1,0,0|2,0,0]=4 504 B13R2.1057 NC1(C2=CC=C(F)C(F)=C2)CC1 P37941 [0,1,0,1,0,0|2,0,0]=4 505 B13R2.1057 OC1(C2=CC=C(Cl)C(Br)=C2)CC1 L14736 [0,1,0,1,0,0|2,0,0]=4 506 B13R2.430 CC(N)C1=CC=C2OCOC2=C1 P42231 [0,1,0,1,0,0|1,0,0]=3 507 B9R1.35 CC1=CC=C([C@@H](C)N)O1 P43691 [1,0,0,0,1,0|2,0,0]=4 508 B9R1.35 CC1=CNC(C(C)C)=N1 P51555 [1,0,0,0,1,0|2,0,0]=4 509 B9R1.41 CC(C)N1N=CC=C1O Q61835 [1,0,0,0,1,0|2,0,0]=4 510 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 P42284 [1,0,0,0,0,1|1,0,0]=3 511 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 P36150 [1,0,0,0,0,1|1,0,0]=3 512 B11R1.20 CC(C)NC1=CC=C(F)C=C1 P36529 [1,0,0,0,0,1|1,0,0]=3 513 B11R1.20 CC(C)NC1=NC=C(Br)C=C1 P38063 [1,0,0,0,0,1|2,0,0]=4 514 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 Q66408 [1,0,0,0,0,1|1,0,0]=3 515 B11R1.20 CC(C)OC1=CC=C(F)C=C1 Q67546 [1,0,0,0,0,1|1,0,0]=3 516 B11R1.20 CC(C)OC1=CC=C(N)C=N1 Q53684 [1,0,0,0,0,1|2,0,0]=4 517 B11R1.20 CC(C)OC1=CC=C(O)C=C1 O30893 [1,0,0,0,0,1|1,0,0]=3 518 B11R1.20 CC(C)OC1=CN=C(F)C=C1 N25011 [1,0,0,0,0,1|2,0,0]=4 519 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 Q67257 [1,0,0,0,0,1|2,0,0]=4 520 B11R1.20 CC(C)OC1=NC=C(Cl)C=C1 N24389 [1,0,0,0,0,1|2,0,0]=4 521 B11R1.20 CC(C)OC1=NC=C(I)C=C1 N24494 [1,0,0,0,0,1|2,0,0]=4 522 B11R1.20 CC(C)OC1=NC=C(O)C=C1 N26096 [1,0,0,0,0,1|2,0,0]=4 523 B11R1.20 CC(N)CC1=CC=C(Br)C=C1 P41684 [1,0,0,0,0,1|2,0,0]=4 524 B11R1.20 CN(C)CC1=CC=C(N)C=C1 P36889 [1,0,0,0,0,1|2,0,0]=4 525 B11R1.157 CC(C)NC1=CC=CC(Br)=C1 P41926 [1,0,0,0,0,1|1,0,0]=3 526 B11R1.157 CC(C)NC1=CC=CC(Cl)=C1 P38903 [1,0,0,0,0,1|1,0,0]=3 527 B11R1.157 CC(C)NC1=CC=CC(F)=C1 P42251 [1,0,0,0,0,1|1,0,0]=3 528 B11R1.157 CC(C)OC1=CC(F)=CC=C1 Q66828 [1,0,0,0,0,1|1,0,0]=3 529 B11R1.157 CC(C)OC1=CC=CC(O)=C1 N24861 [1,0,0,0,0,1|0,0,0]=2 530 B11R1.157 CC(C)OC1=CN=CC(Br)=C1 Q67028 [1,0,0,0,0,1|2,0,0]=4 531 B11R1.157 CC(C)OC1=CN=CC(O)=C1 N26113 [1,0,0,0,0,1|1,0,0]=3 532 B11R1.157 CC(C)OC1=NC(Cl)=CC=C1 N25603 [1,0,0,0,0,1|2,0,0]=4 533 B11R1.157 CC(C)OC1=NC=CC(I)=C1 N24860 [1,0,0,0,0,1|2,0,0]=4 534 B11R1.157 CC1=CC(NC(C)C)=CC=C1 P42983 [1,0,0,0,0,1|1,0,0]=3 535 B11R1.157 CN(C)CC1=CC(N)=CC=C1 P39096 [1,0,0,0,0,1|2,0,0]=4 536 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 Q67698 [1,0,0,0,0,1|2,0,0]=4