0 B9R1.41 CC1=C(C(=O)O)C=CO1 BB57-4813 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.41 CC1=C(C(=O)O)C=NO1 BB55-3624 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.41 CC1=C(C(=O)O)OC=N1 BB01-8336 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.41 CC1=C(C(=O)O)SC=C1 BB01-0916 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.41 CC1=NNC=C1C(=O)O BB01-5991 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.41 CN1C=CC=C1C(=O)O BB01-1072 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.41 CN1C=CN=C1C(=O)O BB57-7197 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.41 CN1C=NC=C1C(=O)O BB55-8119 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.41 CN1N=CC=C1C(=O)O BB01-4745 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.41 CN1N=CC=C1C(=O)O BB05-0013 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.41 NC1=C(C(=O)[O-])SC=C1 BB58-0066 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.7 CC(=O)C1=CSC=C1 BB57-0215 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.7 CC(N)C1=CC=CO1 BB01-4826 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.7 CC(N)C1=CC=CS1 BB01-4334 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.7 NC(=O)C1=CC=CS1 BB01-2734 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.7 O=C(O)C1=CNC=N1 BB57-6654 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.7 O=C(O)C1=COC=C1 BB57-0214 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.7 O=C(O)C1=CSC=C1 BB53-1742 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.7 O=C(O)C1=CSC=N1 BB01-8351 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.7 O=C(O)C1=NNC=C1 BB53-1765 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.7 O=[N+]([O-])C1=CC=CS1 BB17-0786 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.11 CC1=C(C=O)SC=C1 BB01-6101 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.11 CC1=C(C=O)SC=N1 BB01-0956 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.11 CN1C=CC=C1C=O BB17-2275 [1,0,0,0,0,0|0,0,0]=1 24 B8R1.11 CN1C=CN=C1C=O BB05-4354 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.39 CCN1N=CC=C1C(=O)O BB01-4865 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.39 CCN1N=CC=C1C(=O)O BB05-0011 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 BB58-4768 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 BB58-0013 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.59 CC(C)C1=NC(I)=CN1C BB58-4146 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 BB55-5574 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 BB01-3751 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.59 CC1=NN(C)C(C(=O)Cl)=C1 BB58-4410 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.149 CC1=C(C(=O)NN)C=CO1 BB55-1923 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.149 CC1=C(C(=O)NN)SC=C1 BB01-6383 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.149 COC(=O)C1=C(N)C=CS1 BB01-7784 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.149 COC(=O)C1=C(O)C=CS1 BB05-3066 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.149 COC(=O)C1=CC=NN1C BB05-1631 [0,1,0,0,0,0|1,0,0]=2 38 B10R1.192 CN1N=CC(Br)=C1C(=O)O BB05-0007 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.61 CC1=CC=CN=C1C(C)N BB58-3601 [0,0,0,0,0,1|2,0,1]=4 40 B10R1.61 CC1=CN=CC=C1C(=O)O BB58-4632 [0,0,0,0,0,1|2,0,0]=3 41 B10R1.61 NC(=O)C1=CC=CN=C1N BB20-3408 [0,0,0,0,0,1|3,0,0]=4 42 B10R1.61 NC1=CC=CN=C1C(=O)O BB01-8355 [0,0,0,0,0,1|3,0,0]=4 43 B10R1.61 NC1=NC=CC=C1C(=O)O BB17-0064 [0,0,0,0,0,1|3,0,0]=4 44 B10R1.61 O=C(Cl)C1=CC=CC=C1Cl BB01-5906 [0,0,0,0,0,1|3,0,0]=4 45 B10R1.61 O=C(O)C1=CC=CN=C1S BB01-6184 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.113 CN1CCC=C(C(=O)O)C1 BB58-4653 [0,0,0,0,0,1|1,0,2]=4 47 B10R1.113 NC(=O)C1=CC(F)=CC=C1 BB17-0563 [0,0,0,0,0,1|3,0,0]=4 48 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 BB57-3761 [0,0,0,0,0,1|3,0,0]=4 49 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 BB01-8307 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 BB57-3857 [0,0,0,0,0,1|3,0,0]=4 51 B7R1.1 O=CC1=CSC=C1 BB01-6172 [2,0,0,0,0,0|2,0,0]=4 52 B7R1.4 CC1=CC=NN1C BB55-3441 [2,0,0,0,0,0|1,0,0]=3 53 B7R1.4 CC1=NC=CN1C BB58-1097 [2,0,0,0,0,0|1,0,0]=3 54 B7R1.4 CN1C=CN=C1S BB01-6020 [2,0,0,0,0,0|1,1,0]=4 55 B7R1.4 CN1C=NC=C1Cl BB57-0762 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.11 CCC(=O)C1=CC=CS1 BB01-4952 [1,1,0,0,0,0|1,0,0]=3 57 B9R1.11 CNC(=O)C1=CC=CN1 BB20-0004 [1,1,0,0,0,0|0,0,0]=2 58 B9R1.11 CNC(=O)C1=NNC=C1 BB05-4951 [1,1,0,0,0,0|1,0,1]=4 59 B9R1.11 COC(=O)C1=CC=NN1 BB05-1598 [1,1,0,0,0,0|1,0,0]=3 60 B9R1.11 NNC(=O)C1=CC=CS1 BB01-3610 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.11 O=C(CBr)C1=CC=CO1 BB01-4998 [1,1,0,0,0,0|1,0,0]=3 62 B9R1.11 O=C(CBr)C1=CC=CS1 BB20-0496 [1,1,0,0,0,0|1,0,0]=3 63 B9R1.35 CC(=O)C1=CC=C(Br)S1 BB01-7781 [1,1,0,0,0,0|1,0,0]=3 64 B9R1.35 CC(=O)C1=CC=C(C)O1 BB55-2250 [1,1,0,0,0,0|1,0,0]=3 65 B9R1.35 CC(=O)C1=CC=C(C)S1 BB17-2349 [1,1,0,0,0,0|1,0,0]=3 66 B9R1.35 CC(=O)C1=CC=C(Cl)S1 BB17-2354 [1,1,0,0,0,0|1,0,0]=3 67 B9R1.35 CC1=CC=C(C(=O)Cl)O1 BB58-1944 [1,1,0,0,0,0|2,0,0]=4 68 B9R1.35 CC1=CC=C(C(=O)Cl)S1 BB20-1586 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.35 CC1=CC=C(C(=O)O)O1 BB58-0337 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.35 CC1=CC=C(C(=O)O)S1 BB55-0510 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.35 CC1=NNC(C(=O)O)=C1 BB01-2833 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 BB55-5570 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.35 O=C(O)C1=CC=C(Br)S1 BB55-0508 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.35 O=C(O)C1=CC=C(Cl)S1 BB55-0509 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.22 CC1=NN(C)C(C=O)=C1 BB57-3046 [1,1,0,0,0,0|1,0,0]=3 76 B9R1.132 CC1=CC=C(C#N)N1C BB01-5963 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.53 CNC1=C(C(=O)O)C=CC=C1 BB17-0631 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.53 CSC1=C(C(=O)O)C=CC=N1 BB01-5972 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.53 CSC1=CC=CC=C1C(=O)O BB57-4640 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.159 CC1=C(C(=O)O)C=CC=C1Br BB17-2779 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.159 CC1=C(C(=O)O)C=CC=C1I BB17-2772 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.159 CC1=C(C(=O)O)C=CC=C1N BB01-6043 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 BB01-2226 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.167 CC(=O)C1=CC(O)=CC=C1O BB01-2831 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.167 CC1=CC=C(C)C(C(=O)Cl)=C1 BB20-1589 [0,1,0,0,0,1|2,0,0]=4 86 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 BB01-6079 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.222 CNC(=O)C1=C(Br)C=CC=C1 BB57-2486 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 BB57-5866 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.222 COC(=O)C1=C(Cl)C=CC=C1 BB17-2141 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.222 COC(=O)C1=C(F)C=CC=C1 BB01-6088 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.222 COC(=O)C1=CC=CN=C1N BB01-7871 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.222 COC(=O)C1=CC=CNC1=O BB20-6587 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 BB01-6556 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.222 O=C(CBr)C1=C(F)C=CC=C1 BB01-5022 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.228 CN1C=CC=C1CC(=O)NN BB55-1934 [0,1,0,0,0,1|1,0,0]=3 96 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 BB01-6259 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.21 CC(=O)C1=CC=C(O)C(Cl)=C1 BB01-2046 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 BB17-0869 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.21 CC1=C(C)C=C(C(=O)Cl)C=C1 BB20-1582 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.21 CN1N=C(C(=O)O)C=CC1=O BB91-0077 [0,1,0,0,0,1|1,0,0]=3 101 B11R1.23 CNC(=O)C1=CC(Br)=CC=C1 BB55-4688 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.23 COC(=O)C1=CC(Cl)=CC=C1 BB01-6335 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.23 COC(=O)C1=CC(F)=CC=C1 BB01-6089 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.23 COC(=O)C1=CC=CC(N)=C1 BB17-0320 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.74 CC(=O)C1=CC(F)=CC(F)=C1 BB01-7836 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.266 CC(=O)C1=CC=CC(C#N)=C1 BB01-7824 [0,1,0,0,0,1|1,0,1]=4 107 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 BB01-6346 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.49 CCN1N=C(C)C=C1C(=O)O BB05-3623 [0,2,0,0,0,0|2,0,0]=4 109 B11R1.49 CCN1N=C(C)C=C1C(=O)O BB58-2165 [0,2,0,0,0,0|2,0,0]=4 110 B11R1.59 CCN1N=CC=C1C(=O)OC BB05-4850 [0,2,0,0,0,0|1,0,0]=3 111 B11R1.193 CCCN1N=CC=C1C(=O)O BB05-2166 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.193 CCCN1N=CC=C1C(=O)O BB55-6336 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.471 CCN1N=CC(Br)=C1C(=O)O BB05-0021 [0,2,0,0,0,0|2,0,0]=4 114 B11R1.471 CCN1N=CC(Cl)=C1C(=O)O BB05-0023 [0,2,0,0,0,0|2,0,0]=4 115 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Br BB05-0064 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Cl BB05-0022 [0,2,0,0,0,0|2,0,0]=4 117 B11R1.199 CCOC(=O)C1=C(C)C=CS1 BB01-4886 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.199 CCOC(=O)C1=CC=NN1C BB58-2006 [0,2,0,0,0,0|1,0,0]=3 119 B9R1.2 CC1=CC=CC(NN)=C1 BB01-7859 [0,0,1,1,0,0|2,0,0]=4 120 B9R1.2 CNC1=CC(Br)=CC=C1 BB01-3264 [0,0,1,1,0,0|1,0,1]=4 121 B9R1.2 CNC1=CC(Cl)=CC=C1 BB01-5244 [0,0,1,1,0,0|1,0,1]=4 122 B9R1.15 CC1=C(NN)C=CC=C1 BB01-6215 [0,0,1,1,0,0|2,0,0]=4 123 B11R2.1 O=C1OCC2=C1C=CC=C2 BB01-6204 [0,0,0,1,0,1|2,0,0]=4 124 B11R1.86 CC(=O)NC1=CC=CC=C1O BB17-0735 [0,0,0,0,0,2|2,0,0]=4 125 B11R1.86 CC(=O)NC1=NC=CC=C1O BB20-6648 [0,0,0,0,0,2|2,0,0]=4 126 B11R1.86 CC1=C(CC(=O)Cl)C=CC=C1 BB58-4047 [0,0,0,0,0,2|2,0,0]=4 127 B11R1.90 CN1C=CN=C1SCC(=O)O BB58-1960 [0,0,0,0,0,2|2,0,0]=4 128 B11R1.157 CC(=O)CC1=NC=CC(C)=C1 BB55-6190 [0,0,0,0,0,2|2,0,0]=4 129 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 BB20-0245 [0,0,0,0,0,2|1,0,0]=3 130 B11R1.157 CC(=O)NC1=CC(Cl)=CC=C1 BB20-0244 [0,0,0,0,0,2|2,0,0]=4 131 B11R1.157 CC(=O)NC1=CC=CC(C)=N1 BB58-5319 [0,0,0,0,0,2|1,0,0]=3 132 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 BB57-6667 [0,0,0,0,0,2|2,0,0]=4