0 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 CS-0063791 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.3 C#CC1=CC=C(C(C)C)C=C1 CS-0076922 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.3 C=CC1=CC=C(B(O)O)C=C1 CS-W007797 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 CS-W007654 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.3 CN(C)C1=CC=C(CO)C=C1 CS-0030804 [0,0,0,0,0,0|1,0,2]=3 5 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 CS-W018162 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=C1 CS-W007577 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.3 C#CC1=CC=C(C=O)C=C1 CS-W008115 [1,0,0,0,0,0|0,0,2]=3 8 B10R1.3 C=CC1=CC=C(C#N)C=C1 CS-0110672 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.3 CNC1=CC=C(OC)C=C1 CS-W013331 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.3 COC1=CC=C(C#N)C=C1 CS-W013398 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.3 COC1=CC=C(NN)C=C1 CS-W007694 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.3 COC1=CC=C([N+]#N)C=C1 CS-W009319 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.3 COC1=CN=C(C=O)C=C1 CS-W005343 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.3 COC1=CN=C(C=O)C=N1 CS-0054598 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.3 CSC1=NC=C(C=O)C=N1 CS-0043952 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.3 OCC1=CC=C(CO)C=C1 CS-W016500 [1,0,0,0,0,0|1,0,2]=4 17 B10R1.13 C=C(C)C1=CC=C(F)C=C1 CS-0069566 [1,0,0,0,0,0|1,0,2]=4 18 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS-W016264 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.13 CC(=O)C1=CC=C(N)C=C1 CS-W009534 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.13 CC(=O)C1=CNC(=O)C=C1 CS-W003737 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.13 CC(C)C1=CC=C(N)C=C1 CS-W020082 [1,0,0,0,0,0|1,0,0]=2 22 B10R1.13 CC(O)C1=CC=C(N)C=C1 CS-0044939 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.13 CN(C)C1=CC=C(I)C=C1 CS-W019205 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 CS-0096007 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.13 CS(=O)C1=CC=C(F)C=C1 CS-0046847 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 CS-B0174 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 CS-B1284 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 CS-D0231 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 CS-B0690 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 CS-B0688 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 CS-D0021 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 CS-0103184 [1,0,0,0,0,0|1,0,1]=3 33 B10R1.13 Cc1ccc(C(C)C)cc1 CS-M3206 [1,0,0,0,0,0|0,0,1]=2 34 B10R1.13 [C@@H](C)(O)C1=CC=C(F)C=C1 CS-W011033 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.13 [C@H](C)(O)C1=CC=C(F)C=C1 CS-W011032 [1,0,0,0,0,0|2,0,0]=3 36 B12R1.5 C(=O)C1=CC=C(C(=O)OC)C=C1 CS-W009013 [0,1,0,0,0,0|1,0,1]=3 37 B12R1.5 COC(=O)C1=NC=C(C=O)C=C1 CS-0054096 [0,1,0,0,0,0|2,0,1]=4 38 B12R1.6 O=CC1=CC=C(C(F)(F)F)C=C1 CS-W008968 [0,1,0,0,0,0|2,0,0]=3 39 B12R1.6 O=CC1=CN=C(C(F)(F)F)C=C1 CS-W008718 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 CS-W006155 [0,1,0,0,0,0|2,0,1]=4 41 B12R1.48 O=CC1=CC=C([N+](=O)[O-])C=C1Br CS-W003568 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.48 O=CC1=CC=C([N+](=O)[O-])C=C1O CS-W008995 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 CS-D1037 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.256 CC(O)C1=CC=C(B(O)O)C=C1 CS-0029540 [0,1,0,0,0,0|2,0,1]=4 45 B12R1.256 CC(O)C1=CC=C(C(=O)O)C=C1 CS-W021982 [0,1,0,0,0,0|1,0,0]=2 46 B12R1.256 C[C@@H](N)C1=CC=C([N+](=O)[O-])C=C1 CS-M0681 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.256 C[SiH](C)C1=CC=C([SiH](C)C)C=C1 CS-0006218 [0,1,0,0,0,0|1,2,0]=4 48 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 CS-B0814 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 CS-M3306 [0,1,0,0,0,0|3,0,0]=4 50 B12R1.452 O=CC1=CC(F)=C(B(O)O)C=C1 CS-W014301 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.452 O=CC1=CC=C(B(O)O)C(Cl)=C1 CS-0029542 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.452 O=CC1=CC=C(C(=O)O)C(Cl)=C1 CS-0099139 [0,1,0,0,0,0|2,0,1]=4 53 B12R2.9 O=CC1=CC=C(C2CC2)C=C1 CS-W005936 [0,0,0,1,0,0|0,0,0]=1 54 B10R1.31 CC(=O)C1=CNC(C=O)=C1 CS-0095973 [0,0,0,0,1,0|2,0,1]=4 55 B10R1.31 CC(C)C1=COC(C=O)=C1 CS-M0890 [0,0,0,0,1,0|1,0,0]=2 56 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 CS-0059255 [0,0,0,0,0,1|1,0,1]=3 57 B12R1.4 CC(C)OC1=CC=C(C#N)C=C1 CS-0102069 [0,0,0,0,0,1|1,0,1]=3 58 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 CS-W017902 [0,0,0,0,0,1|0,0,0]=1 59 B12R1.4 CC(C)OC1=NC=C(C=O)C=C1 CS-0043831 [0,0,0,0,0,1|1,0,0]=2 60 B9R1.1 C=CC1=CC=C(Br)C=C1 CS-W009005 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.1 C=CC1=CC=C(O)C=C1 CS-W005288 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.1 CC1=CC=C(C=O)C=N1 CS-D0589 [2,0,0,0,0,0|1,0,0]=3 63 B9R1.1 CC1=CC=C(CN)C=C1 CS-W022218 [2,0,0,0,0,0|1,0,1]=4 64 B9R1.1 CC1=CC=C(NN)C=C1 CS-W016192 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.1 CC1=NC=C(C=O)C=N1 CS-D1652 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.1 CCC1=CC=C(Br)C=C1 CS-W016965 [2,0,0,0,0,0|1,0,0]=3 67 B9R1.1 CCC1=CC=C(I)C=C1 CS-0109504 [2,0,0,0,0,0|1,0,0]=3 68 B9R1.1 CNC1=CC=C(N)C=C1 CS-W022918 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.1 NC1=CC=C(CO)C=C1 CS-W007465 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.1 NCC1=CC=C(O)C=C1 CS-W004078 [2,0,0,0,0,0|1,0,1]=4 71 B9R1.1 O=CC1=CC=C(Br)N=C1 CS-D0958 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.1 O=CC1=CC=C(F)C=C1 CS-W008729 [2,0,0,0,0,0|1,0,0]=3 73 B9R1.1 O=CC1=CN=C(F)C=C1 CS-W004680 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.1 O=CC1=CNC(=O)C=C1 CS-W019709 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.1 O=CC1=NC=C(O)C=C1 CS-W005647 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.6 CC(C)C1=CC=CC=N1 CS-W019396 [2,0,0,0,0,0|1,0,0]=3 77 B9R1.6 CC(N)C1=CC=CC=C1 CS-W013564 [2,0,0,0,0,0|1,0,0]=3 78 B9R1.6 CC(N)C1=NC=CC=C1 CS-M2153 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.6 CC(N)C1=NC=CC=C1 CS-W023139 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CS-W008645 [2,0,0,0,0,0|1,0,0]=3 81 B9R1.6 C[C@@H](N)C1=CC=NC=C1 CS-0098148 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CS-M2101 [2,0,0,0,0,0|1,0,0]=3 83 B9R1.6 C[C@@H](O)C1=NC=CC=C1 CS-0040476 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.6 C[C@H](N)C1=CC=CN=C1 CS-0044516 [2,0,0,0,0,0|2,0,0]=4 85 B11R1.83 CNCC1=CC=C(OC)C=C1 CS-D0566 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.279 CC1=CC(C#N)=CC=C1C=O CS-W022185 [1,1,0,0,0,0|1,0,1]=4 87 B11R1.279 COC1=C(F)C=C(C=O)C=C1 CS-W007614 [1,1,0,0,0,0|1,0,0]=3 88 B11R1.279 COC1=CC=C(C=O)C=C1I CS-0041339 [1,1,0,0,0,0|1,0,0]=3 89 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 CS-W008710 [1,1,0,0,0,0|1,0,0]=3 90 B11R1.19 CC(F)(F)C1=CC=C(Br)C=C1 CS-W007309 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.19 C[Si](C)(C)C1=CC=C(Br)C=C1 CS-D0587 [1,1,0,0,0,0|1,1,0]=4 92 B11R1.21 CC(N)C1=CC(Cl)=C(Cl)C=C1 CS-0046826 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 CS-0037604 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 CS-0089922 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.166 C[C@@H](N)C1=CC=C(Cl)C=C1Cl CS-0099787 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.166 C[C@@H](N)C1=CC=C(F)C=C1F CS-0042544 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 CS-0039157 [1,1,0,0,0,0|2,0,0]=4 98 B13R1.585 CC(=O)C1=CC=C(OC(F)F)C=C1 CS-W016916 [0,1,0,0,0,1|2,0,0]=4 99 B13R1.585 O=C(O)C1=CC=C(OC(F)F)C=C1 CS-W016829 [0,1,0,0,0,1|2,0,0]=4 100 B13R1.39 COC1=CC=C(C(OC)OC)C=C1 CS-M1998 [0,2,0,0,0,0|2,0,0]=4 101 B13R1.537 CC(NN)C1=CC=C(C(=O)O)C=C1 CS-M0653 [0,2,0,0,0,0|1,0,0]=3 102 B13R1.537 COC(=O)C1=CC=C(C(=O)O)C=C1 CS-W017217 [0,2,0,0,0,0|1,0,1]=4 103 B13R1.537 COC(=O)C1=CC=C(C(C)N)C=C1 CS-M0171 [0,2,0,0,0,0|1,0,0]=3 104 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 CS-B0176 [0,2,0,0,0,0|1,0,0]=3 105 B13R1.537 NCC(O)C1=CC=C([N+](=O)[O-])C=C1 CS-M0378 [0,2,0,0,0,0|2,0,0]=4 106 B13R1.537 O=[N+]([O-])C1=CC=C(C(O)CBr)C=C1 CS-M0377 [0,2,0,0,0,0|2,0,0]=4 107 B13R1.3088 COC(=O)C1=CC=C(C=O)C(O)=C1 CS-0044168 [0,2,0,0,0,0|1,0,1]=4 108 B13R1.38 O=CC1=C(Cl)C=C(C(F)(F)F)C=C1 CS-W005562 [0,2,0,0,0,0|2,0,0]=4 109 B13R1.96 O=CC1=CC(Cl)=C(C(F)(F)F)C=C1 CS-W005004 [0,2,0,0,0,0|2,0,0]=4 110 B13R1.338 CC(=O)C1=CC=C(C(C)(C)C)C=C1 CS-W020585 [0,2,0,0,0,0|0,0,0]=2 111 B13R1.338 CC(=O)C1=CC=C(C(F)(F)F)C=C1 CS-W007473 [0,2,0,0,0,0|2,0,0]=4 112 B13R1.338 CC(N)C1=CC=C(S(C)(=O)=O)C=C1 CS-D0009 [0,2,0,0,0,0|2,0,0]=4 113 B13R1.338 O=C(O)C1=CC=C(C(F)(F)F)C=C1 CS-W015914 [0,2,0,0,0,0|2,0,0]=4 114 B13R1.74 CN(C)C1=CC=C(\C=C\C=O)C=C1 CS-W017445 [0,2,0,0,0,0|1,0,0]=3 115 B11R2.34 FC1=NC=C(C2CC2)C=C1 CS-B1134 [1,0,0,1,0,0|2,0,0]=4 116 B11R2.34 NC1=CC=C(C2CC2)C=C1 CS-W022173 [1,0,0,1,0,0|1,0,0]=3 117 B11R2.34 NC1=NC=C(C2CC2)C=C1 CS-W022369 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.35 CC(C)N1C=CC(=O)N1 CS-B1383 [1,0,0,0,1,0|2,0,0]=4 119 B11R1.20 CC(C)OC1=CC=C(N)C=C1 CS-0051136 [1,0,0,0,0,1|1,0,0]=3 120 B11R1.20 CC(C)OC1=CC=C(O)C=C1 CS-0000201 [1,0,0,0,0,1|0,0,1]=3 121 B11R1.266 CC(C)C1=CC(C#N)=CC=N1 CS-0102143 [0,0,0,0,1,1|1,0,1]=4 122 B11R1.266 CN(C)C1=CC(C=O)=CC=C1 CS-0028225 [0,0,0,0,1,1|1,0,0]=3 123 B13R1.3 CC(C)COC1=CC=C(CN)C=C1 CS-M3693 [0,0,0,0,0,2|1,0,1]=4