0 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 08-1716 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 08-1791 [0,0,0,0,0,0|2,0,2]=4 2 B12R2.24 FC1=CC2=CC=CC=C2C=C1 26-1742 [0,0,0,0,0,0|2,0,2]=4 3 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 020507S [0,0,0,0,0,0|0,0,2]=2 4 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 C-106 [0,0,0,0,0,0|0,0,2]=2 5 B12R2.24 O=C1C=CC2=CC=CNC2=N1 08-5526 [0,0,0,0,0,0|2,0,2]=4 6 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 D-107 [0,0,0,0,0,0|0,0,0]=0 7 B12R2.24 O=C1CCC2=CC=CN=C2N1 08-5117 [0,0,0,0,0,0|2,0,0]=2 8 B12R2.24 O=C1COC2=C(C=CC=C2)N1 17-017 [0,0,0,0,0,0|2,0,0]=2 9 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 19-600 [0,0,0,0,0,0|2,0,0]=2 10 B12R2.24 OC1=CC2=CC=CC=C2C=C1 025445S [0,0,0,0,0,0|1,0,3]=4 11 B12R2.24 OC1=CC2=CC=CC=C2C=N1 08-7461 [0,0,0,0,0,0|2,0,2]=4 12 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 08-3644 [0,1,0,0,0,0|2,0,1]=4 13 B13R2.155 CC1=CC2=C(C=CC(=O)O2)C=C1 020521 [0,1,0,0,0,0|0,0,2]=3 14 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 H-017 [0,1,0,0,0,0|0,0,2]=3 15 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)O1 19-867 [0,1,0,0,0,0|0,0,0]=1 16 B13R2.155 O=C1CCC2=C(C=C(O)C=C2)O1 19-869 [0,1,0,0,0,0|0,0,0]=1 17 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)N1 25-015 [0,1,0,0,0,0|2,0,0]=3 18 B13R2.328 CC1=CC(=O)C2=C(C=CC=C2)O1 19-2798 [0,1,0,0,0,0|1,0,2]=4 19 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 H-105 [0,1,0,0,0,0|0,0,2]=3 20 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O 08-5442 [0,1,0,0,0,0|2,0,0]=3 21 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O A-104 [0,1,0,0,0,0|0,0,2]=3 22 B13R2.369 NC1=NC2=C(C=CC=C2)OC1=O 08-6375 [0,1,0,0,0,0|1,0,1]=3 23 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1O 020505 [0,1,0,0,0,0|0,0,2]=3 24 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1O CS-353 [0,1,0,0,0,0|0,0,2]=3 25 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)CS2 25-025 [0,1,0,0,0,0|2,0,0]=3 26 B13R2.3683 CC1=CC2=C(C=C1)OC(=O)C=C2 020531 [0,1,0,0,0,0|0,0,2]=3 27 B13R2.3683 NC1=NC2=C(C=C(Cl)C=C2)SC1 25-029 [0,1,0,0,0,0|3,0,0]=4 28 B13R2.3683 O=C1C=CC2=C(C=CC(Br)=C2)N1 08-1792 [0,1,0,0,0,0|1,0,2]=4 29 B13R2.3683 O=C1C=CC2=C(C=CC(O)=C2)O1 020526 [0,1,0,0,0,0|0,0,2]=3 30 B13R2.3683 O=C1CSC2=C(C=CC(Br)=C2)N1 25-011 [0,1,0,0,0,0|2,0,0]=3 31 B13R2.3683 O=C1CSC2=C(C=CC(Cl)=C2)N1 25-014 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.41 CCOC1=C(CO)C=CC=C1 CS-491 [0,0,1,0,0,0|2,0,1]=4 33 B11R1.86 CC(=O)NC1=C(F)C=CC=C1 21-096 [0,0,1,0,0,0|2,0,0]=3 34 B11R1.86 CC(=O)OC1=C(F)C=CC=C1 26-2155 [0,0,1,0,0,0|1,0,0]=2 35 B11R1.86 NC(=O)NC1=C(F)C=CC=C1 26-1050 [0,0,1,0,0,0|3,0,0]=4 36 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 CS-219 [0,0,1,0,0,0|3,0,0]=4 37 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 21-139 [0,0,1,0,0,0|3,0,0]=4 38 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 CS-592 [0,0,1,0,0,0|3,0,0]=4 39 B11R1.91 CC(=O)OCC1=CC=CC=C1 026226S [0,0,1,0,0,0|2,0,0]=3 40 B11R1.91 C[C@H](O)COC1=CC=CC=C1 CS-872 [0,0,1,0,0,0|2,0,1]=4 41 B11R1.91 NC(=O)COC1=CC=CC=C1 CS-854 [0,0,1,0,0,0|2,0,0]=3 42 B11R1.91 NC(=O)CSC1=CC=CC=C1 08-9475 [0,0,1,0,0,0|2,0,0]=3 43 B11R1.91 O=C(Cl)COC1=CC=CC=C1 CS-857 [0,0,1,0,0,0|2,0,0]=3 44 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS-893 [0,0,1,0,0,0|0,0,2]=3 45 B11R1.91 O=C(O)CCC1=CC=CC=C1 026474 [0,0,1,0,0,0|0,0,0]=1 46 B11R1.91 O=C(O)CCC1=CC=NC=C1 08-10158 [0,0,1,0,0,0|1,0,0]=2 47 B11R1.91 O=C(O)CNC1=CCC=CC1 04-1107 [0,0,1,0,0,0|1,0,2]=4 48 B11R1.91 O=C(O)COC1=CC=CC=C1 CS-855 [0,0,1,0,0,0|1,0,0]=2 49 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 026024 [0,0,1,0,0,0|0,0,2]=3 50 B11R1.91 OB(O)CCC1=CC=CC=C1 08-1233 [0,0,1,0,0,0|1,0,1]=3 51 B11R2.1 BrC1=NNC2=C1C=CC=C2 08-4202 [0,0,0,0,1,0|3,0,0]=4 52 B11R2.1 CC1=CNC2=C1C=CC=C2 020653 [0,0,0,0,1,0|2,0,1]=4 53 B11R2.1 O=C1CCC2=C1C=CC=N2 08-3134 [0,0,0,0,1,0|1,0,0]=2 54 B11R2.1 O=C1N=NC2=C1C=CC=C2 CS-618 [0,0,0,0,1,0|2,0,0]=3 55 B11R2.1 OB1OCC2=C1C=CC=C2 08-2240 [0,0,0,0,1,0|2,0,1]=4 56 B11R2.10 CC1=NC2=C(C=CC=C2)O1 CS-733 [0,0,0,0,1,0|2,0,0]=3 57 B11R2.10 FC1=NC2=C(C=CC=C2)S1 09-1147 [0,0,0,0,1,0|2,1,0]=4 58 B11R2.10 O=C1CC2=C(C=CC=C2)N1 01-1256 [0,0,0,0,1,0|1,0,0]=2 59 B11R2.10 O=C1CC2=C(C=CC=N2)N1 08-3313 [0,0,0,0,1,0|2,0,0]=3 60 B11R2.10 O=C1CC2=C(C=CC=N2)N1 08-5099 [0,0,0,0,1,0|2,0,0]=3 61 B11R2.10 O=C1CC2=C(C=CN=C2)N1 08-5086 [0,0,0,0,1,0|2,0,0]=3 62 B11R2.10 O=C1CC2=C(C=NC=C2)N1 08-5100 [0,0,0,0,1,0|2,0,0]=3 63 B11R2.10 O=C1CC2=C(N=CC=C2)N1 08-5085 [0,0,0,0,1,0|2,0,0]=3 64 B10R1.17 FCCCC1=CC=CC=C1 26-1053 [1,0,1,0,0,0|1,0,1]=4 65 B10R1.17 N#CCCC1=CC=CC=C1 CS-895 [1,0,1,0,0,0|1,0,1]=4 66 B10R1.17 O=C\C=C\C1=CC=CC=C1 026023 [1,0,1,0,0,0|0,0,2]=4 67 B10R1.17 O=C\C=C\C1=CC=CC=C1 06-398 [1,0,1,0,0,0|0,0,2]=4 68 B10R1.17 OCCCC1=CC=CC=C1 CS-892 [1,0,1,0,0,0|0,0,1]=3 69 B10R1.17 OCCCC1=NC=CC=C1 08-7929 [1,0,1,0,0,0|1,0,1]=4 70 B10R1.17 OC\C=C\C1=CC=CC=C1 026025 [1,0,1,0,0,0|2,0,0]=4 71 B10R1.4 CCOC1=C(F)C=CC=C1 21-134 [1,0,1,0,0,0|1,0,1]=4 72 B10R1.4 OCCC1=C(F)C=CC=C1 09-1293 [1,0,1,0,0,0|1,0,1]=4 73 B10R1.20 COC1=C(C=O)C=CC=C1 026006 [1,0,1,0,0,0|1,0,0]=3 74 B10R1.20 COC1=C(C=O)C=CC=N1 08-9864 [1,0,1,0,0,0|2,0,0]=4 75 B10R1.20 COC1=C(CO)C=CC=C1 CS-650 [1,0,1,0,0,0|1,0,1]=4 76 B10R1.20 COC1=C(OC)C=CC=C1 026468 [1,0,1,0,0,0|1,0,1]=4 77 B10R1.20 O=CC1=C(C=O)C=CC=C1 BIO-471 [1,0,1,0,0,0|1,0,1]=4 78 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 26-1035 [0,1,1,0,0,0|1,0,0]=3 79 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 026029 [0,1,1,0,0,0|0,0,2]=4 80 B12R1.32 CCCC(=O)CC1=CC=CC=C1 CS-887 [0,1,1,0,0,0|1,0,0]=3 81 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 CS-689 [0,1,1,0,0,0|2,0,0]=4 82 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 CS-692 [0,1,1,0,0,0|2,0,0]=4 83 B12R1.169 CCOC1=C(OCC)C=CC=C1 01-459 [0,1,1,0,0,0|1,0,1]=4 84 B12R1.127 CC(=O)NC1=C(F)C=CC(F)=C1 26-3202 [0,1,1,0,0,0|2,0,0]=4 85 B12R1.127 CC1=C(CC(=O)O)C=C(F)C=C1 07-425 [0,1,1,0,0,0|2,0,0]=4 86 B12R1.224 CC1=C(CC(=O)O)C=CC=C1N 08-10085 [0,1,1,0,0,0|2,0,0]=4 87 B12R1.1009 CC(=O)NC1=C(F)C=CC=C1F 26-3203 [0,1,1,0,0,0|2,0,0]=4 88 B12R1.27 COC(=O)CNC1=CC=CC=C1 04-2314 [0,1,1,0,0,0|1,0,0]=3 89 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 024966 [0,1,1,0,0,0|0,0,2]=4 90 B12R1.27 NCC(=O)OCC1=CC=CC=C1 04-1584 [0,1,1,0,0,0|2,0,0]=4 91 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 19-1325 [0,1,1,0,0,0|2,0,0]=4 92 B12R2.1081 BrC1=C2CCCCC2=CC=C1 08-1795 [1,1,0,0,0,0|1,0,1]=4 93 B12R2.1081 FC1=C2CCCNC2=CC=C1 08-3186 [1,1,0,0,0,0|1,0,1]=4 94 B12R2.1081 NC1=CC=CC2=C1OCCO2 08-2058 [1,1,0,0,0,0|1,0,1]=4 95 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 08-2063 [1,1,0,0,0,0|2,0,0]=4 96 B12R2.1081 N[C@H]1CSCC2=C1C=CC=C2 19-2808 [1,1,0,0,0,0|2,0,0]=4 97 B12R2.1081 O=C1C=COC2=C1C=CC=C2 17-077 [1,1,0,0,0,0|0,0,2]=4 98 B12R2.1081 O=C1CCOC2=C1C=CC=C2 17-076 [1,1,0,0,0,0|0,0,2]=4 99 B12R2.1 O=CC1=CSC2=C1C=CC=C2 08-10186 [0,1,0,0,1,0|1,0,1]=4 100 B12R2.1 O=CC1=NNC2=C1C=CC=C2 08-4370 [0,1,0,0,1,0|2,0,0]=4 101 B12R2.132 NC1=CC2=C(C=C1)CCC2=O 08-1443 [0,1,0,0,1,0|0,0,0]=2 102 B12R2.132 NC1=CC2=C(C=C1)CNC2=O 08-6384 [0,1,0,0,1,0|1,0,0]=3 103 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 08-5335 [0,1,0,0,1,0|0,0,0]=2 104 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 08-5048 [0,1,0,0,1,0|0,0,0]=2 105 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 08-6173 [0,1,0,0,1,0|1,0,0]=3 106 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 09-1210 [0,1,0,0,1,0|0,0,0]=2 107 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 08-9957 [0,1,0,0,1,0|0,0,0]=2 108 B12R2.32 O=CC1=CC2=C(C=CC=N2)O1 08-9709 [0,1,0,0,1,0|1,0,1]=4 109 B12R2.202 O=C1CC2=C(Cl)C=CN=C2N1 08-5030 [0,1,0,0,1,0|2,0,0]=4 110 B12R2.202 O=C1CC2=C(F)C=CN=C2N1 08-5247 [0,1,0,0,1,0|2,0,0]=4 111 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 19-828 [0,1,0,0,1,0|1,0,0]=3 112 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 08-4912 [0,1,0,0,1,0|1,0,0]=3 113 B12R2.606 O=C1CC2=C(C=CC(Br)=N2)N1 08-6707 [0,1,0,0,1,0|2,0,0]=4 114 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 08-4747 [0,1,0,0,1,0|2,0,0]=4 115 B12R2.606 O=C1CC2=CC(Cl)=CN=C2N1 08-5031 [0,1,0,0,1,0|2,0,0]=4 116 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 08-5040 [0,1,0,0,1,0|2,0,0]=4 117 B12R2.606 O=C1CC2=CC(F)=CN=C2N1 08-5248 [0,1,0,0,1,0|2,0,0]=4 118 B12R2.606 O=C1CC2=NC=C(Br)C=C2N1 08-4694 [0,1,0,0,1,0|2,0,0]=4 119 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 08-5057 [0,1,0,0,1,0|2,0,0]=4 120 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)N1 08-4179 [0,1,0,0,1,0|2,0,0]=4 121 B14R2.4513 O=C1C=CC2=CC=C(O)C(O)=C2O1 D-109 [0,2,0,0,0,0|0,0,2]=4 122 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)O2 19-870 [0,2,0,0,0,0|0,0,0]=2 123 B14R2.134 COC1=CC2=C(C=CC(=O)O2)C=C1 H-101 [0,2,0,0,0,0|0,0,2]=4 124 B14R2.1128 N#CC1=CC2=C(C=CC=C2)OC1=O 17-080 [0,2,0,0,0,0|0,0,2]=4 125 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CS2 25-024 [0,2,0,0,0,0|2,0,0]=4 126 B14R2.2332 O=CC1=CC2=C(C=C1)OC(=O)C=C2 28-001 [0,2,0,0,0,0|0,0,2]=4 127 B14R2.8239 O=C1C=CC2=C(C=C(O)C(O)=C2)O1 D-108 [0,2,0,0,0,0|0,0,2]=4 128 B14R2.8239 O=C1C=CC2=CC(Cl)=C(O)C=C2O1 19-415 [0,2,0,0,0,0|0,0,2]=4 129 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(N)=C2 020547 [0,2,0,0,0,0|0,0,2]=4 130 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(O)=C2 H-037 [0,2,0,0,0,0|0,0,2]=4 131 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(S)=C2 19-2549 [0,2,0,0,0,0|0,0,2]=4 132 B14R2.29365 CC1=CC2=C(C=C1)C(O)=CC(=O)O2 19-350 [0,2,0,0,0,0|0,0,2]=4 133 B14R2.29365 O=C1C=CC2=C(C=C(O)C=C2O)O1 CS-354 [0,2,0,0,0,0|0,0,2]=4 134 B14R2.8235 CC1=CC(=O)OC2=C1C=C(O)C=C2 15-004 [0,2,0,0,0,0|0,0,2]=4 135 B14R2.8235 CC1=CC2=C(C=C1)OC(=O)C=C2O 020566 [0,2,0,0,0,0|0,0,2]=4 136 B14R2.8235 O=C1C=C(O)C2=C(C=CC(Br)=C2)O1 17-027 [0,2,0,0,0,0|0,0,2]=4 137 B14R2.8235 O=C1C=C(O)C2=C(C=CC(Cl)=C2)O1 17-054 [0,2,0,0,0,0|0,0,2]=4 138 B14R2.8235 O=C1C=C(O)C2=C(C=CC(F)=C2)O1 19-408 [0,2,0,0,0,0|0,0,2]=4 139 B14R2.11684 COC1=C2OC(=O)C=CC2=CC=C1 19-884 [0,2,0,0,0,0|0,0,2]=4 140 B14R2.29496 N[C@H]1CS(=O)(=O)CC2=C1C=CC=C2 08-1418 [0,2,0,0,0,0|2,0,0]=4 141 B14R2.1146 COC1=CC(=O)OC2=C1C=CC=C2 020578 [0,2,0,0,0,0|0,0,2]=4 142 B10R1.15 CCC(=O)C1=CC=CC=C1 CS-712 [0,0,1,0,1,0|0,0,0]=2 143 B10R1.15 COC(=O)C1=CC=CC=C1 026182S [0,0,1,0,1,0|1,0,0]=3 144 B10R1.15 O=C(CF)C1=CC=CC=C1 21-482 [0,0,1,0,1,0|1,0,0]=3 145 B10R1.15 O=C(CO)C1=CC=CC=C1 CS-546 [0,0,1,0,1,0|1,0,0]=3 146 B10R1.61 CC(=O)C1=C(F)C=CC=N1 08-9365 [0,0,1,0,1,0|2,0,0]=4 147 B10R1.61 CC(=O)C1=CC=CN=C1F 08-672 [0,0,1,0,1,0|2,0,0]=4 148 B10R1.61 CC1=C(C(=O)O)C=NC=C1 08-2434 [0,0,1,0,1,0|2,0,0]=4 149 B10R1.61 CC1=CC=CN=C1C(=O)O 08-4468 [0,0,1,0,1,0|2,0,0]=4 150 B10R1.61 NC(=O)C1=C(Cl)C=CC=C1 CS-165 [0,0,1,0,1,0|2,0,0]=4 151 B10R1.61 NC(=O)C1=C(F)C=CC=C1 21-108 [0,0,1,0,1,0|2,0,0]=4 152 B10R1.61 NC(=O)C1=C(N)C=CC=C1 CS-027 [0,0,1,0,1,0|2,0,0]=4 153 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 CS-129 [0,0,1,0,1,0|2,0,0]=4 154 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 21-323 [0,0,1,0,1,0|2,0,0]=4 155 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 CS-122 [0,0,1,0,1,0|2,0,0]=4 156 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 CS-171 [0,0,1,0,1,0|2,0,0]=4 157 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 CS-174 [0,0,1,0,1,0|2,0,0]=4 158 B10R1.61 O=C(O)C1=C(F)C=CC=C1 21-110 [0,0,1,0,1,0|2,0,0]=4 159 B10R1.61 O=C(O)C1=C(O)C=CC=C1 026097 [0,0,1,0,1,0|2,0,0]=4 160 B10R2.7 C1=CC2=C(C=C1)NC=C2 020650 [1,0,0,0,1,0|1,0,1]=4 161 B10R2.7 C1=CC2=C(C=C1)[S+]=CS2 26-100 [1,0,0,0,1,0|1,1,0]=4 162 B10R2.7 C1=CC2=C(C=CO2)C=N1 08-8428 [1,0,0,0,1,0|1,0,1]=4 163 B10R2.7 C1=CC2=C(C=N1)OC=C2 08-2223 [1,0,0,0,1,0|1,0,1]=4 164 B10R2.7 C1=CN=C2NCCC2=C1 08-5088 [1,0,0,0,1,0|2,0,0]=4 165 B10R2.7 C1=CN=C2OC=CC2=C1 08-8427 [1,0,0,0,1,0|1,0,1]=4 166 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 19-3105 [0,0,1,0,0,1|1,0,0]=3 167 B12R1.252 O=C(O)CNCC1=CC=CC=C1 04-444 [0,0,1,0,0,1|0,0,0]=2 168 B12R1.252 O=C(O)CNCC1=CC=CC=C1 04-445 [0,0,1,0,0,1|0,0,0]=2 169 B12R1.252 O=C(O)COCC1=CC=CC=C1 19-3104 [0,0,1,0,0,1|0,0,0]=2 170 B12R1.252 OB(O)CCCC1=CC=CC=C1 08-3736 [0,0,1,0,0,1|1,0,1]=4