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 CCC1=CC=C(C(=O)O)C=C1 CS-0030581 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.3 CN(C)C1=CC=C(CO)C=C1 CS-0030804 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.3 NCC1=CC=C(B(O)O)C=C1 CS-0042868 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.3 CNC1=CC=C(OC)C=C1 CS-W013331 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.3 COC1=CC=C(C#N)C=C1 CS-W013398 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.3 COC1=CC=C(NN)C=C1 CS-W007694 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.3 COC1=CC=C([N+]#N)C=C1 CS-W009319 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.3 OCC1=CC=C(CO)C=C1 CS-W016500 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.13 C=C(C)C1=CC=C(F)C=C1 CS-0069566 [1,0,0,0,0,0|1,0,2]=4 11 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS-W016264 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.13 CC(=O)C1=CC=C(N)C=C1 CS-W009534 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.13 CC(=O)C1=NC=C(C)C=C1 CS-0005383 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.13 CC(C)C1=CC=C(N)C=C1 CS-W020082 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.13 CC(O)C1=CC=C(N)C=C1 CS-0044939 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.13 CC1=CC=C(B(O)O)C=C1 CS-W009284 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 CS-W019426 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.13 CN(C)C1=CC=C(I)C=C1 CS-W019205 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 CS-0096007 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.13 CS(=O)C1=CC=C(F)C=C1 CS-0046847 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 CS-B0174 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 CS-B1284 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 CS-D0231 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 CS-B0690 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 CS-B0688 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 CS-D0021 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 CS-0103184 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.13 Cc1ccc(C(C)C)cc1 CS-M3206 [1,0,0,0,0,0|0,0,0]=1 29 B10R1.13 [C@@H](C)(O)C1=CC=C(F)C=C1 CS-W011033 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.13 [C@H](C)(O)C1=CC=C(F)C=C1 CS-W011032 [1,0,0,0,0,0|2,0,0]=3 31 B12R1.6 CS(=O)(=O)C1=CC=C(CO)C=C1 CS-0046235 [0,1,0,0,0,0|2,0,0]=3 32 B12R1.6 NCC1=CC=C(C(F)(F)F)C=C1 CS-W007523 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.6 OCC1=CC=C(C(F)(F)F)C=C1 CS-0005960 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.6 OCC1=CC=C(C(F)(F)F)N=C1 CS-0084388 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 CS-D1037 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.256 CC(O)C1=CC=C(B(O)O)C=C1 CS-0029540 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.256 CC(O)C1=CC=C(C(=O)O)C=C1 CS-W021982 [0,1,0,0,0,0|1,0,1]=3 38 B12R1.256 C[C@@H](N)C1=CC=C([N+](=O)[O-])C=C1 CS-M0681 [0,1,0,0,0,0|2,0,1]=4 39 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 40 B12R1.256 OB(O)C1=CC=C(C(F)F)C=C1 CS-0030626 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.452 NC1=CC(CO)=CC=C1[N+](=O)[O-] CS-0097047 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.452 O=N(=O)C1=C(F)C=C(CO)C=C1 CS-0043771 [0,1,0,0,0,0|3,0,0]=4 43 B12R2.9 O=CC1=CC=C(C2CC2)C=C1 CS-W005936 [0,0,0,1,0,0|0,0,2]=3 44 B10R1.31 CC(C)C1=COC(C=O)=C1 CS-M0890 [0,0,0,0,1,0|1,0,2]=4 45 B12R1.4 CC(C)OC1=CC=C(C#N)C=C1 CS-0102069 [0,0,0,0,0,1|1,0,1]=3 46 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 CS-W017902 [0,0,0,0,0,1|0,0,2]=3 47 B12R1.4 CC(C)OC1=NC=C(C=O)C=C1 CS-0043831 [0,0,0,0,0,1|1,0,2]=4 48 B9R1.1 C=CC1=CC=C(O)C=C1 CS-W005288 [2,0,0,0,0,0|0,0,2]=4 49 B9R1.1 CC1=CC=C(CN)C=C1 CS-W022218 [2,0,0,0,0,0|1,0,0]=3 50 B9R1.1 CC1=CC=C(NN)C=C1 CS-W016192 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.1 CC1=CN=C(CN)C=C1 CS-0019191 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.1 CC1=CN=C(CO)C=N1 CS-W006020 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.1 CCC1=CC=C(Br)C=C1 CS-W016965 [2,0,0,0,0,0|1,0,0]=3 54 B9R1.1 CCC1=CC=C(I)C=C1 CS-0109504 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.1 CNC1=CC=C(N)C=C1 CS-W022918 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.1 COC1=NC=C(O)C=C1 CS-W005101 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.1 NC1=CC=C(CO)C=C1 CS-W007465 [2,0,0,0,0,0|1,0,0]=3 58 B9R1.1 NCC1=CC=C(O)C=C1 CS-W004078 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.1 OCC1=CN=C(F)C=C1 CS-0044070 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.6 CC(C)C1=CC=CC=N1 CS-W019396 [2,0,0,0,0,0|1,0,0]=3 61 B9R1.6 CC(N)C1=CC=CC=C1 CS-W013564 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.6 CC(N)C1=NC=CC=C1 CS-M2153 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.6 CC(N)C1=NC=CC=C1 CS-W023139 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CS-W008645 [2,0,0,0,0,0|1,0,0]=3 65 B9R1.6 C[C@@H](N)C1=CC=NC=C1 CS-0098148 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CS-M2101 [2,0,0,0,0,0|1,0,0]=3 67 B9R1.6 C[C@@H](O)C1=NC=CC=C1 CS-0040476 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.6 C[C@H](N)C1=CC=CN=C1 CS-0044516 [2,0,0,0,0,0|2,0,0]=4 69 B11R1.83 CNCC1=CC=C(OC)C=C1 CS-D0566 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.83 COC1=CC=C(CNN)C=C1 CS-W018557 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.279 COC1=C(Br)C=C(CO)C=C1 CS-W008397 [1,1,0,0,0,0|1,0,0]=3 72 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 CS-W008710 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.19 CC(F)(F)C1=CC=C(Br)C=C1 CS-W007309 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.19 C[Si](C)(C)C1=CC=C(Br)C=C1 CS-D0587 [1,1,0,0,0,0|1,1,0]=4 75 B11R1.21 CC(=O)C1=CC=C(O)C(Br)=C1 CS-0042105 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.21 CC(N)C1=CC(Cl)=C(Cl)C=C1 CS-0046826 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 CS-0037604 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 CS-0089922 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.166 C[C@@H](N)C1=CC=C(Cl)C=C1Cl CS-0099787 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.166 C[C@@H](N)C1=CC=C(F)C=C1F CS-0042544 [1,1,0,0,0,0|2,0,0]=4 81 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 82 B13R1.39 COC1=CC=C(C(OC)OC)C=C1 CS-M1998 [0,2,0,0,0,0|2,0,0]=4 83 B13R1.537 CC(NN)C1=CC=C(C(=O)O)C=C1 CS-M0653 [0,2,0,0,0,0|1,0,1]=4 84 B13R1.537 COC(=O)C1=CC=C(C(C)N)C=C1 CS-M0171 [0,2,0,0,0,0|1,0,1]=4 85 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 CS-B0176 [0,2,0,0,0,0|1,0,1]=4 86 B13R1.3088 COC(=O)C1=CC=C(CO)C(F)=C1 CS-0042796 [0,2,0,0,0,0|1,0,1]=4 87 B13R1.140 NOCC1=CC=C(C(F)(F)F)C=C1 CS-0041896 [0,2,0,0,0,0|2,0,0]=4 88 B13R1.140 OCCC1=CC=C(C(F)(F)F)C=C1 CS-W015901 [0,2,0,0,0,0|2,0,0]=4 89 B13R1.338 CC(=O)C1=CC=C(C(C)(C)C)C=C1 CS-W020585 [0,2,0,0,0,0|0,0,2]=4 90 B13R1.338 CC(N)C1=CC=C(C(F)(F)F)C=C1 CS-0077580 [0,2,0,0,0,0|2,0,0]=4 91 B13R1.338 C[C@@H](N)C1=CC=C(C(F)(F)F)C=C1 CS-0041935 [0,2,0,0,0,0|2,0,0]=4 92 B13R1.120 CC(C)C1=CC=C(B(O)O)C(Cl)=N1 CS-0047536 [0,2,0,0,0,0|2,0,0]=4 93 B11R2.34 FC1=NC=C(C2CC2)C=C1 CS-B1134 [1,0,0,1,0,0|2,0,0]=4 94 B11R2.34 NC1=CC=C(C2CC2)C=C1 CS-W022173 [1,0,0,1,0,0|1,0,0]=3 95 B11R2.34 NC1=NC=C(C2CC2)C=C1 CS-W022369 [1,0,0,1,0,0|2,0,0]=4 96 B13R2.428 OB(O)C1=CN=C(C2CC2)C=C1 CS-0043860 [0,1,0,1,0,0|2,0,0]=4 97 B11R1.20 CC(C)OC1=CC=C(N)C=C1 CS-0051136 [1,0,0,0,0,1|1,0,0]=3 98 B11R1.20 CC(C)OC1=CC=C(O)C=C1 CS-0000201 [1,0,0,0,0,1|0,0,0]=2 99 B11R1.266 CC(C)C1=CC(C#N)=CC=N1 CS-0102143 [0,0,0,0,1,1|1,0,1]=4 100 B13R1.3 CC(C)COC1=CC=C(CN)C=C1 CS-M3693 [0,0,0,0,0,2|1,0,0]=3