0 B9R1.11 CCC(=O)C1=CC=CS1 BB01-4952 [0,0,0,0,0,0|1,1,0]=2 1 B9R1.11 CCC(N)C1=CC=CS1 BB01-4366 [0,0,0,0,0,0|2,1,1]=4 2 B9R1.11 CNC(=O)C1=CC=CN1 BB20-0004 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.11 CNC(=O)C1=NNC=C1 BB05-4951 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.11 COC(=O)C1=CC=NN1 BB05-1598 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.11 NNC(=O)C1=CC=CS1 BB01-3610 [0,0,0,0,0,0|2,1,0]=3 6 B9R1.11 NNC(=O)C1=CSC=C1 BB01-5015 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.11 O=C(CBr)C1=CC=CO1 BB01-4998 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.11 O=C(CBr)C1=CC=CS1 BB20-0496 [0,0,0,0,0,0|2,1,0]=3 9 B8R1.7 CC(=O)C1=CSC=C1 BB57-0215 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.7 CC(N)C1=CC=CO1 BB01-4826 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.7 CC(N)C1=CC=CS1 BB01-4334 [1,0,0,0,0,0|1,1,1]=4 12 B8R1.7 NC(=O)C1=CC=CS1 BB01-2734 [1,0,0,0,0,0|1,1,0]=3 13 B8R1.7 O=C(O)C1=CNC=N1 BB57-6654 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.7 O=C(O)C1=COC=C1 BB57-0214 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.7 O=C(O)C1=CSC=C1 BB53-1742 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.7 O=C(O)C1=CSC=N1 BB01-8351 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.7 O=C(O)C1=CSN=N1 BB58-0324 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.7 O=C(O)C1=NNC=C1 BB53-1765 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.7 O=C(O)C1CC=CC1 BB01-7889 [1,0,0,0,0,0|1,0,2]=4 20 B8R1.7 O=[N+]([O-])C1=CC=CS1 BB17-0786 [1,0,0,0,0,0|1,1,1]=4 21 B8R1.7 OB(O)C1=CC=CS1 BB01-0981 [1,0,0,0,0,0|1,1,1]=4 22 B8R1.8 CNCC1=CC=CO1 BB01-5301 [1,0,0,0,0,0|1,0,1]=3 23 B8R1.8 CNCC1=CC=CS1 BB55-3486 [1,0,0,0,0,0|1,1,1]=4 24 B8R1.8 O\N=C\C1=CC=CS1 BB55-7187 [1,0,0,0,0,0|2,1,0]=4 25 B10R1.11 CCCC(=O)C1=CC=CS1 BB55-2280 [0,1,0,0,0,0|1,1,0]=3 26 B10R1.11 CCOC(=O)C1=CC=CO1 BB17-0864 [0,1,0,0,0,0|0,0,0]=1 27 B10R1.11 CCOC(=O)C1=CC=NN1 BB05-1622 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.14 CCC(=O)C1=CC=C(Br)S1 BB55-2283 [0,1,0,0,0,0|1,1,0]=3 29 B10R1.14 CCC(=O)C1=CC=C(Cl)S1 BB55-2282 [0,1,0,0,0,0|1,1,0]=3 30 B10R1.14 COC(=O)C1=CC=C(Br)O1 BB58-0015 [0,1,0,0,0,0|0,0,0]=1 31 B10R1.14 COC(=O)C1=CC=C(C)O1 BB58-0346 [0,1,0,0,0,0|0,0,0]=1 32 B10R1.14 COC(=O)C1=CC=C(C)S1 BB57-2096 [0,1,0,0,0,0|0,1,0]=2 33 B10R1.14 COC(=O)C1=CSC(N)=N1 BB01-7865 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.14 COC(=O)C1=NC(N)=NN1 BB01-0460 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.14 COC(=O)C1=NC(N)=NN1 BB05-2595 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.14 COC(=O)C1=NN(C)C=N1 BB58-4982 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.14 COC(=O)C1=NOC(C)=C1 BB20-2295 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.14 NNC(=O)C1=CC=C(Br)O1 BB55-1918 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.14 O=C(CBr)C1=CC=C(Cl)S1 BB20-0488 [0,1,0,0,0,0|2,1,0]=4 40 B10R1.149 CC1=C(C(=O)NN)SC=C1 BB01-6383 [0,1,0,0,0,0|2,1,0]=4 41 B10R1.149 COC(=O)C1=C(N)C=CS1 BB01-7784 [0,1,0,0,0,0|0,1,0]=2 42 B10R1.149 COC(=O)C1=C(O)C=CS1 BB05-3066 [0,1,0,0,0,0|0,1,0]=2 43 B10R1.149 COC(=O)C1=CC=NN1C BB05-1631 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.15 COC(=O)C1=CC=CC=N1 BB01-7838 [0,0,0,0,0,1|1,0,0]=2 45 B10R1.15 NNC(=O)C1=CC=CC=N1 BB55-0722 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.15 NNC(=O)C1=CC=CN=C1 BB01-6330 [0,0,0,0,0,1|3,0,0]=4 47 B10R1.15 NNC(=O)C1=CC=NC=C1 BB01-2496 [0,0,0,0,0,1|3,0,0]=4 48 B10R1.15 NNC(=O)C1=NC=CN=C1 BB01-6293 [0,0,0,0,0,1|3,0,0]=4 49 B10R1.27 NNC(=O)CC1=CC=CS1 BB55-1939 [0,0,0,0,0,1|2,1,0]=4 50 B7R1.1 O=CC1=CSC=C1 BB01-6172 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.35 CC(=O)C1=CC=C(Br)S1 BB01-7781 [1,1,0,0,0,0|0,1,0]=3 52 B9R1.35 CC(=O)C1=CC=C(C)O1 BB55-2250 [1,1,0,0,0,0|0,0,0]=2 53 B9R1.35 CC(=O)C1=CC=C(C)S1 BB17-2349 [1,1,0,0,0,0|0,1,0]=3 54 B9R1.35 CC(=O)C1=CC=C(Cl)S1 BB17-2354 [1,1,0,0,0,0|0,1,0]=3 55 B9R1.35 CC1=CC(C(=O)O)=NN1 BB01-2577 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.35 CC1=CC(C(=O)O)=NO1 BB01-4962 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.35 CC1=CC(C(=O)O)=NO1 BB05-1141 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.35 CC1=CC=C(B(O)O)O1 BB01-7929 [1,1,0,0,0,0|1,0,1]=4 59 B9R1.35 CC1=CC=C(C(=O)Cl)O1 BB58-1944 [1,1,0,0,0,0|1,0,0]=3 60 B9R1.35 CC1=CC=C(C(=O)Cl)S1 BB20-1586 [1,1,0,0,0,0|1,1,0]=4 61 B9R1.35 CC1=CC=C(C(=O)O)O1 BB58-0337 [1,1,0,0,0,0|0,0,0]=2 62 B9R1.35 CC1=CC=C(C(=O)O)S1 BB55-0510 [1,1,0,0,0,0|0,1,0]=3 63 B9R1.35 CC1=NNC(C(=O)O)=C1 BB01-2833 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.35 CN1C=CC(C(=O)O)=N1 BB05-0012 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 BB55-5570 [1,1,0,0,0,0|1,1,0]=4 66 B9R1.35 O=C(O)C1=CC=C(Br)S1 BB55-0508 [1,1,0,0,0,0|0,1,0]=3 67 B9R1.35 O=C(O)C1=CC=C(Cl)S1 BB55-0509 [1,1,0,0,0,0|0,1,0]=3 68 B9R1.41 CC1=C(C(=O)O)C=CO1 BB57-4813 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.41 CC1=C(C(=O)O)OC=N1 BB01-8336 [1,1,0,0,0,0|1,0,0]=3 70 B9R1.41 CC1=C(C(=O)O)SC=C1 BB01-0916 [1,1,0,0,0,0|0,1,0]=3 71 B9R1.41 CN1C=CC=C1C(=O)O BB01-1072 [1,1,0,0,0,0|1,0,0]=3 72 B9R1.41 CN1C=CN=C1C(=O)O BB57-7197 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.41 CN1C=NC=C1C(=O)O BB55-8119 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.41 CN1N=CC=C1C(=O)O BB01-4745 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.41 CN1N=CC=C1C(=O)O BB05-0013 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.41 NC1=C(C(=O)[O-])SC=C1 BB58-0066 [1,1,0,0,0,0|0,1,1]=4 77 B9R1.7 CC1=CC=C(\C=N/O)O1 BB58-5150 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.12 O=C\C=C\C1=CC=CO1 BB01-6397 [1,1,0,0,0,0|1,0,1]=4 79 B11R1.16 CCOC(=O)C1=NC=CN=C1 BB55-3073 [0,1,0,0,0,1|1,0,0]=3 80 B11R1.16 O=C(CCCl)C1=CC=CC=C1 BB01-6249 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.16 O=C(NCO)C1=CC=CN=C1 BB57-4503 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 BB01-4128 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 BB01-7807 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 BB57-1172 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.22 CNC(=O)C1=CN=C(Br)C=C1 BB31-6597 [0,1,0,0,0,1|2,0,0]=4 86 B11R1.22 COC(=O)C1=CC=C(C)N=C1 BB20-3109 [0,1,0,0,0,1|1,0,0]=3 87 B11R1.22 COC(=O)C1=CC=C(F)C=C1 BB01-6087 [0,1,0,0,0,1|1,0,0]=3 88 B11R1.22 COC(=O)C1=NC=C(C)N=C1 BB58-1082 [0,1,0,0,0,1|1,0,0]=3 89 B11R1.23 CNC(=O)C1=CC(Br)=CC=C1 BB55-4688 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.23 COC(=O)C1=CC(Cl)=CC=C1 BB01-6335 [0,1,0,0,0,1|1,0,0]=3 91 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 BB57-1534 [0,1,0,0,0,1|1,0,0]=3 92 B11R1.23 COC(=O)C1=CC(F)=CC=C1 BB01-6089 [0,1,0,0,0,1|1,0,0]=3 93 B11R1.23 COC(=O)C1=CC=CC(N)=C1 BB17-0320 [0,1,0,0,0,1|1,0,0]=3 94 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 BB01-6272 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 BB01-6345 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.222 CNC(=O)C1=C(Br)C=CC=C1 BB57-2486 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 BB57-5866 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.222 COC(=O)C1=C(Cl)C=CC=C1 BB17-2141 [0,1,0,0,0,1|1,0,0]=3 99 B11R1.222 COC(=O)C1=C(F)C=CC=C1 BB01-6088 [0,1,0,0,0,1|1,0,0]=3 100 B11R1.222 COC(=O)C1=CC=CN=C1N BB01-7871 [0,1,0,0,0,1|1,0,0]=3 101 B11R1.222 COC(=O)C1=CC=CNC1=O BB20-6587 [0,1,0,0,0,1|1,0,0]=3 102 B11R1.222 COC(=O)C1=NC=CN=C1N BB01-8312 [0,1,0,0,0,1|1,0,0]=3 103 B11R1.30 CCOC(=O)CC1=CC=CS1 BB01-7823 [0,1,0,0,0,1|0,1,0]=3 104 B11R1.30 CCOC(=O)CN1C=CC=N1 BB55-7404 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.15 CCCC(=O)C1=CC=C(Br)S1 BB55-2394 [0,2,0,0,0,0|1,1,0]=4 106 B11R1.15 CCCC(=O)C1=CC=C(C)S1 BB55-2392 [0,2,0,0,0,0|1,1,0]=4 107 B11R1.15 CCCC(=O)C1=CC=C(Cl)S1 BB55-2393 [0,2,0,0,0,0|1,1,0]=4 108 B11R1.15 CCNC(=O)C1=CC=C(Br)S1 BB55-2946 [0,2,0,0,0,0|1,1,0]=4 109 B11R1.15 CCOC(=O)C1=CN=C(N)O1 BB01-7950 [0,2,0,0,0,0|1,0,0]=3 110 B11R1.15 CCOC(=O)C1=COC(N)=N1 BB01-7951 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.15 CCOC(=O)C1=NN=C(N)O1 BB57-2154 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.29 CCCCC(=O)C1=CC=CS1 BB01-1187 [0,2,0,0,0,0|1,1,0]=4 113 B11R1.29 O=C(CCCCl)C1=CC=CS1 BB01-7805 [0,2,0,0,0,0|1,1,0]=4 114 B11R1.199 CCOC(=O)C1=C(C)C=CS1 BB01-4886 [0,2,0,0,0,0|0,1,0]=3 115 B11R1.199 CCOC(=O)C1=C(C)N=CN1 BB01-5964 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.199 CCOC(=O)C1=CC=NN1C BB58-2006 [0,2,0,0,0,0|2,0,0]=4 117 B11R1.44 CCN1C=CC(C(=O)OC)=N1 BB58-3470 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.44 COC(=O)C1=CC=C(C=O)N1 BB20-1531 [0,2,0,0,0,0|1,0,0]=3 119 B11R1.225 COC(=O)C1=C(Cl)SC(Cl)=C1 BB58-2952 [0,2,0,0,0,0|2,0,0]=4 120 B11R1.225 COC(=O)C1=C(N)SC(C)=C1 BB01-2281 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.225 COC(=O)C1=C(N)SC(C)=C1 BB05-0255 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.314 CN(C)C(=O)C1=CC=C(Br)S1 BB55-2948 [0,2,0,0,0,0|1,1,0]=4 123 B11R1.865 COC(=O)C1=C(Cl)C(C)=CS1 BB01-7925 [0,2,0,0,0,0|0,1,0]=3 124 B11R1.59 CCN1N=CC=C1C(=O)OC BB05-4850 [0,2,0,0,0,0|2,0,0]=4 125 B9R1.3 CN1C=CC=C(Br)C1=O BB31-5220 [0,0,1,1,0,0|2,0,0]=4 126 B9R1.15 COC1=CC=CC=C1S BB01-7834 [0,0,1,1,0,0|1,1,0]=4 127 B9R1.15 COC1=NC=CC=C1N BB01-7941 [0,0,1,1,0,0|2,0,0]=4 128 B9R1.2 CCC1=CC(O)=CC=C1 BB58-0142 [0,0,1,1,0,0|2,0,0]=4 129 B9R1.2 COC1=CC(S)=CC=C1 BB01-6053 [0,0,1,1,0,0|1,1,0]=4 130 B11R2.1 O=C1OCC2=C1C=CC=C2 BB01-6204 [0,0,0,1,0,1|1,0,0]=3 131 B9R1.6 CC(=O)C1=NC=CN=C1 BB01-0984 [1,0,0,0,0,1|1,0,0]=3 132 B9R1.6 NC(=O)C1=CC=CC=C1 BB01-2129 [1,0,0,0,0,1|2,0,0]=4 133 B9R1.6 NC(=O)C1=CC=CC=N1 BB01-5863 [1,0,0,0,0,1|2,0,0]=4 134 B9R1.6 O=C(O)C1=CN=CN=C1 BB01-7914 [1,0,0,0,0,1|2,0,0]=4 135 B9R1.6 O=C(O)C1=NC=CN=C1 BB01-7797 [1,0,0,0,0,1|1,0,0]=3 136 B11R1.40 CCC(=O)CC1=CC=CC=C1 BB57-4116 [0,0,0,0,0,2|2,0,0]=4 137 B11R1.25 O=C(CCl)NCC1=CC=CO1 BB01-5135 [0,0,0,0,0,2|2,0,0]=4