0 B11R1.3 C#CC1=CC=C(N(C)C)C=C1 CS-W004844 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.3 C=CC1=CC=C([N+](=O)[O-])C=C1 CS-W004451 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.3 CC(N)C1=CC=C(CO)C=C1 CS-D0432 [0,0,0,0,0,0|1,0,2]=3 3 B11R1.3 CC(O)C1=CC=C(C=O)C=C1 CS-0089331 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.3 CN(C)C1=CC=C(CN)C=C1 CS-0096267 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.3 CSC1=CC=C(C(C)N)C=C1 CS-0109904 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.3 C[C@H](N)C1=CC=C(CO)C=C1 CS-D0431 [0,0,0,0,0,0|1,0,2]=3 7 B11R1.3 N#CC1=CC=C(C(F)F)C=C1 CS-0060225 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.3 NCC1=CC=C(C(F)F)C=C1 CS-0036039 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.3 O=CC1=CN=C(B(O)O)C=C1 CS-0093968 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.3 CCC1=CC=C(CBr)C=C1 CS-0061458 [1,0,0,0,0,0|1,0,1]=3 11 B10R1.3 COC1=CC=C(NN)C=C1 CS-0099995 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.3 O=CC1=CN=C(C=O)C=C1 CS-0110533 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.3 O=CC1=NC=C(CO)C=C1 CS-0096298 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.13 CC(C)C1=CC=C(S)C=C1 CS-0037685 [1,0,0,0,0,0|0,1,0]=2 15 B10R1.13 CC(C)C1=CN=C(Br)C=C1 CS-0102216 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.13 CC(N)C1=NC=C(F)C=C1 CS-0052861 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 CS-0109932 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 CS-0069083 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.13 CC1=NC=C(C(C)C)N=C1 CS-0059950 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.13 CN(C)C1=CC=C(F)C=N1 CS-0089663 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS-0037689 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.13 CN(C)C1=CN=C(Br)C=C1 CS-0061713 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.13 CN(C)C1=NC=C(N)C=C1 CS-0090613 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 CS-B0177 [1,0,0,0,0,0|1,0,1]=3 25 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 CS-0038917 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 CS-0094680 [1,0,0,0,0,0|3,0,0]=4 27 B12R1.5 COC1=CC=C(C(C)ON)C=C1 CS-0079740 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.5 COC1=CC=C(C(N)CO)C=C1 CS-0089903 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 CS-0089935 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.6 C#CC1=CC=C(C(C)(C)C)C=C1 CS-0092320 [0,1,0,0,0,0|1,0,1]=3 31 B12R1.6 CC(C)(C)C1=CC=C(CN)C=C1 CS-W010843 [0,1,0,0,0,0|1,0,1]=3 32 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 CS-0112813 [0,1,0,0,0,0|2,0,0]=3 33 B12R1.113 CC(C)C1=CC=C(CCN)C=C1 CS-0061029 [0,1,0,0,0,0|1,0,1]=3 34 B12R1.113 O=COC1=CC=C([N+](=O)[O-])C=C1 CS-0112298 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.256 CC(=O)C1=CC=C([N+](=O)[O-])C=C1 CS-W020570 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.256 CC(C)C1=CN=C(C(=O)O)C=N1 CS-0107796 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.256 CC(O)C1=CC=C([N+](=O)[O-])C=C1 CS-0099979 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.256 CN(C)C1=NC=C([N+](=O)[O-])C=C1 CS-0089813 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.256 O=C(O)C1=NC=C(C(F)F)C=C1 CS-0060449 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.256 O=C([O-])C1=CC=[C-]([IH+3]([Cl-])[Cl-])C=C1 CS-0111345 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.452 CC1=CC(C=O)=CC=C1B(O)O CS-0061263 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.452 CC1=CC(C=O)=CC=C1C(=O)O CS-0112527 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.452 CC1=CC(C=O)=CC=C1N(C)C CS-0061266 [0,1,0,0,0,0|1,0,0]=2 44 B10R1.31 CC(C)C1=NC(C=O)=CS1 CS-0043944 [0,0,0,0,1,0|2,0,0]=3 45 B12R1.4 CC(C)OC1=NC=C(C#N)C=C1 CS-0035625 [0,0,0,0,0,1|2,0,1]=4 46 B9R1.1 C=CC1=CC=C(N)C=C1 CS-0106396 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.1 CC1=CC=C(NN)C=C1 CS-0110658 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.1 CC1=NN=C(C=O)C=C1 CS-0108567 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.1 CCC1=CC=C(O)C=N1 CS-0105436 [2,0,0,0,0,0|1,0,1]=4 50 B9R1.1 COC1=CNC(=O)C=C1 CS-0096327 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.1 CSC1=CC=C(Br)C=C1 CS-W015471 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.1 NC1=CC=C(C=O)C=C1 CS-0112994 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.1 NC1=CN=C(C=O)C=C1 CS-0112970 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.1 NCC1=CNC(=O)C=C1 CS-0084863 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.6 CC(O)C1=CC=CN=C1 CS-0036932 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.6 CN(C)C1=NC=CC=C1 CS-0112703 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.6 C[C@H](O)C1=NC=CC=C1 CS-0112596 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.83 CCOC1=CC=C(C=O)C=C1 CS-W018144 [1,1,0,0,0,0|0,0,0]=2 59 B11R1.83 CNCC1=CC=C(SC)C=C1 CS-0109905 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.279 CCC1=CC(N)=C(OC)C=C1 CS-0038232 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.279 COC1=C(Br)N=C(C=O)C=C1 CS-0061893 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.279 COC1=NC(Cl)=C(C=O)C=C1 CS-W007212 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.279 N#CC1=C(Br)C=C(C=O)C=C1 CS-0060340 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.19 CC(C)(C)C1=NC=C(O)C=C1 CS-0060885 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 CS-0062501 [1,1,0,0,0,0|1,0,0]=3 66 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 CS-0044903 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 CS-0112273 [1,1,0,0,0,0|1,0,0]=3 68 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 CS-0112141 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.19 C[Si](C)(C)C1=CC=C(O)C=C1 CS-0107197 [1,1,0,0,0,0|0,1,1]=4 70 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 CS-0038690 [1,1,0,0,0,0|0,0,1]=3 71 B11R1.21 C[C@@H](N)C1=CC=C(Br)C(F)=C1 CS-0104684 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 CS-0106656 [1,1,0,0,0,0|1,0,1]=4 73 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 CS-0037480 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.22 NC(CO)C1=CC=C(Br)C=C1 CS-0088141 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.22 NC(CO)C1=CC=C(F)C=C1 CS-0088073 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 CS-0039023 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 CS-0089913 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 CS-0089900 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 CS-0037479 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 CS-0088131 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.22 O[C@H](CCl)C1=CC=C(F)C=C1 CS-0062157 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.166 CC(C)N1C=CC(N)=CC1=O CS-0051061 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.166 CC(N)C1=CC=C(F)C=C1F CS-0096247 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.166 C[C@@H](N)C1=C(F)C=C(Br)C=C1 CS-0059834 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.175 CC(C)C1=CC(C(=O)O)=NO1 CS-0061028 [0,1,0,0,1,0|2,0,0]=4 86 B11R1.175 CC(C)N1C=NC(C(=O)O)=C1 CS-0101509 [0,1,0,0,1,0|2,0,0]=4 87 B13R1.585 CC(C)CC1=CC=C([N+](=O)[O-])C=C1 CS-0060040 [0,1,0,0,0,1|1,0,0]=3 88 B13R1.585 CC(C)OC1=CC=C(C(=O)O)C=C1 CS-M0438 [0,1,0,0,0,1|0,0,0]=2 89 B13R1.39 CCN(CC)C1=CC=C(C=O)C=N1 CS-0059978 [0,2,0,0,0,0|2,0,0]=4 90 B13R1.187 CCS(=O)(=O)C1=CC=C(C=O)C=C1 CS-0061668 [0,2,0,0,0,0|2,0,0]=4 91 B13R1.537 COC(=O)C1=CC=C(N(C)C)C=C1 CS-W017264 [0,2,0,0,0,0|1,0,0]=3 92 B13R1.38 CC(C)(C)C1=CC=C(C=O)C(O)=C1 CS-0106379 [0,2,0,0,0,0|0,0,0]=2 93 B13R1.38 COC1=C(Br)C=C(C(C)(C)C)C=C1 CS-0060878 [0,2,0,0,0,0|2,0,0]=4 94 B13R1.38 CS(=O)(=O)C1=CC=C(C=O)C(F)=C1 CS-0099949 [0,2,0,0,0,0|2,0,0]=4 95 B13R1.38 O=CC1=C(I)C=C(C(F)(F)F)C=C1 CS-0060419 [0,2,0,0,0,0|2,0,0]=4 96 B13R1.38 O=CC1=C(O)C=C(C(F)(F)F)C=C1 CS-0051895 [0,2,0,0,0,0|2,0,0]=4 97 B13R1.140 C#CCC1=CC=C(C(C)(C)C)C=C1 CS-0094858 [0,2,0,0,0,0|1,0,1]=4 98 B13R1.338 CC(C)(C)C1=CN=C(C(=O)O)C=N1 CS-0060884 [0,2,0,0,0,0|2,0,0]=4 99 B13R1.338 CC(N)C1=CC=C(S(C)(=O)=O)C=C1 CS-0036408 [0,2,0,0,0,0|2,0,0]=4 100 B13R1.338 CP(C)(=O)C1=CC=C(C(=O)O)C=C1 CS-0088089 [0,2,0,0,0,0|1,0,0]=3 101 B13R1.120 CC(=O)C1=CC=C(C(=O)O)C(C)=C1 CS-0112809 [0,2,0,0,0,0|1,0,1]=4 102 B13R1.120 CC(C)N1C=CC(C(=O)O)=CC1=O CS-0051813 [0,2,0,0,0,0|1,0,0]=3 103 B13R1.652 COC1=C(Br)C=C(C(C)C)C(F)=C1 CS-0006991 [0,2,0,0,0,0|2,0,0]=4 104 B11R2.34 BrC1=NC=C(C2CC2)C=C1 CS-W019243 [1,0,0,1,0,0|2,0,0]=4 105 B11R2.34 ClC1=CC=C(C2CO2)C=C1 CS-0114258 [1,0,0,1,0,0|2,0,0]=4 106 B11R2.34 OC1=CC=C(C2CC2)N=C1 CS-0105439 [1,0,0,1,0,0|1,0,1]=4 107 B13R2.2121 CC1=CC2=C(C=C(C=O)C=C2)N1 CS-0097178 [0,0,0,1,0,1|1,0,1]=4 108 B13R2.2121 CN1C=C2C=CC(C=O)=CC2=N1 CS-0051867 [0,0,0,1,0,1|2,0,0]=4 109 B13R2.2130 CC1=NOC2=CC(C=O)=CC=C21 CS-0111737 [0,1,0,1,0,0|1,0,1]=4 110 B13R2.428 O=C(O)C1=CC=C(C2CC2)C=C1 CS-0043870 [0,1,0,1,0,0|0,0,0]=2 111 B9R1.21 CCC1=CC=C(C=O)S1 CS-0099746 [1,0,0,0,1,0|1,0,0]=3 112 B9R1.21 CCN1C=C(C=O)C=N1 CS-0020149 [1,0,0,0,1,0|2,0,0]=4 113 B11R1.20 CC(C)OC1=CC=C(Br)C=N1 CS-0038218 [1,0,0,0,0,1|2,0,0]=4 114 B11R1.20 CC1=CN=C(OC(C)C)C=C1 CS-0037036 [1,0,0,0,0,1|1,0,1]=4