0 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 7334 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.18 CC1=C(Cl)NC2=NC=CC=C21 19354 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.18 CC1=CC2=CC=CC=C2N1C 7333 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.18 CC1CC2=CC=CC=C2N1N 23226 [0,0,0,0,0,0|3,0,1]=4 4 B12R2.18 CC1CC2=CC=CC=C2N1N 9485 [0,0,0,0,0,0|3,0,1]=4 5 B12R2.18 CN1C(S)=NC2=C1C=CC=C2 8070 [0,0,0,0,0,0|1,1,1]=3 6 B12R2.18 CN1NC2=CC=CC=C2C1=O 27652 [0,0,0,0,0,0|3,0,1]=4 7 B12R2.18 Cn1c(=O)oc2ccccc21 8685 [0,0,0,0,0,0|2,0,0]=2 8 B12R2.18 O=C1NC2=CC=CC=C2C1=O 13609 [0,0,0,0,0,0|1,0,1]=2 9 B12R2.18 O=C1NC2=NC=CC=C2C1=O 26690 [0,0,0,0,0,0|2,0,1]=3 10 B12R2.18 OC1C2=CC=CC=C2CC1Br 3783 [0,0,0,0,0,0|3,0,1]=4 11 B11R2.1 BrC1=CNC2=CC=CC=C12 11087 [1,0,0,0,0,0|2,0,0]=3 12 B11R2.1 BrC1=CNC2=CN=CC=C12 15871 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.1 BrC1=CNC2=NC=CC=C12 14707 [1,0,0,0,0,0|3,0,0]=4 14 B11R2.1 BrC1=COC2=C1C=CC=C2 28021 [1,0,0,0,0,0|3,0,0]=4 15 B11R2.1 BrC1=CSC2=C1C=CC=C2 13106 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.1 BrC1=NNC2=CC=CC=C21 11861 [1,0,0,0,0,0|3,0,0]=4 17 B11R2.1 CC1=CCC2=CC=CC=C12 15081 [1,0,0,0,0,0|3,0,0]=4 18 B11R2.1 CC1=CNC2=C1C=NC=C2 34831 [1,0,0,0,0,0|3,0,0]=4 19 B11R2.1 CC1=CNC2=CC=CC=C12 7505 [1,0,0,0,0,0|2,0,0]=3 20 B11R2.1 CC1=CNC2=NC=CC=C12 19349 [1,0,0,0,0,0|3,0,0]=4 21 B11R2.1 CC1=CSC2=C1C=CC=C2 13547 [1,0,0,0,0,0|3,0,0]=4 22 B11R2.1 CC1=NNC2=CC=CC=C21 7820 [1,0,0,0,0,0|3,0,0]=4 23 B11R2.1 CC1C=CC2=CC=CC=C21 15080 [1,0,0,0,0,0|3,0,0]=4 24 B11R2.1 CC1CNC2=CC=CC=C21 15858 [1,0,0,0,0,0|2,0,1]=4 25 B11R2.1 CN1C=CC2=CC=CC=C21 7436 [1,0,0,0,0,0|2,0,0]=3 26 B11R2.1 CN1C=CC2=CC=CN=C21 35080 [1,0,0,0,0,0|3,0,0]=4 27 B11R2.1 CN1C=NC2=C1C=CC=C2 7613 [1,0,0,0,0,0|1,0,1]=3 28 B11R2.1 CN1C=NC2=CC=CN=C21 26941 [1,0,0,0,0,0|2,0,1]=4 29 B11R2.1 CN1N=NC2=C1C=CC=C2 28190 [1,0,0,0,0,0|2,0,1]=4 30 B11R2.1 ClC1=CNC2=CC=CC=C12 25672 [1,0,0,0,0,0|2,0,0]=3 31 B11R2.1 ClC1=CNC2=NC=CC=C12 14740 [1,0,0,0,0,0|3,0,0]=4 32 B11R2.1 IC1=CNC2=NC=CC=C12 16589 [1,0,0,0,0,0|3,0,0]=4 33 B11R2.1 IC1=NNC2=CC=CC=C21 11868 [1,0,0,0,0,0|3,0,0]=4 34 B11R2.1 NC1=NNC2=CC=CC=C21 11848 [1,0,0,0,0,0|3,0,0]=4 35 B11R2.1 NN1N=NC2=C1C=CC=C2 19954 [1,0,0,0,0,0|2,0,1]=4 36 B11R2.1 O=C1NNC2=CC=CC=C12 28083 [1,0,0,0,0,0|2,0,1]=4 37 B11R2.1 OC1=CNC2=CC=CC=C12 7264 [1,0,0,0,0,0|1,0,0]=2 38 B11R2.1 OC1=NOC2=C1C=CC=C2 27626 [1,0,0,0,0,0|3,0,0]=4 39 B11R2.1 ON1N=NC2=C1C=CC=C2 12739 [1,0,0,0,0,0|1,0,1]=3 40 B11R2.1 ON1N=NC2=C1C=CC=C2 35769 [1,0,0,0,0,0|1,0,1]=3 41 B11R2.1 ON1N=NC2=C1C=CC=C2 9767 [1,0,0,0,0,0|1,0,1]=3 42 B11R2.1 On1nnc2cccnc21 12723 [1,0,0,0,0,0|2,0,1]=4 43 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 13460 [1,0,0,0,0,0|3,0,0]=4 44 B11R2.10 BrC1=CC2=CC=CC=C2C1 9657 [1,0,0,0,0,0|3,0,0]=4 45 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 16113 [1,0,0,0,0,0|1,0,1]=3 46 B11R2.10 BrC1=NC2=C(C=CC=C2)O1 33485 [1,0,0,0,0,0|2,0,1]=4 47 B11R2.10 CC1=CC2=CC=CC=C2C1 5381 [1,0,0,0,0,0|3,0,0]=4 48 B11R2.10 CC1=CC2=CC=CC=C2N1 7504 [1,0,0,0,0,0|2,0,0]=3 49 B11R2.10 CC1=NC2=C(C=CC=C2)N1 7540 [1,0,0,0,0,0|1,0,1]=3 50 B11R2.10 CC1=NC2=C(C=CC=C2)O1 8631 [1,0,0,0,0,0|2,0,1]=4 51 B11R2.10 CC1=NC2=C(C=CC=C2)S1 10877 [1,0,0,0,0,0|2,0,1]=4 52 B11R2.10 CC1CC2=CC=CC=C2N1 7439 [1,0,0,0,0,0|2,0,1]=4 53 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 7598 [1,0,0,0,0,0|1,0,1]=3 54 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 21885 [1,0,0,0,0,0|2,0,1]=4 55 B11R2.10 ClC1=NC2=C(C=CC=C2)S1 21853 [1,0,0,0,0,0|2,0,1]=4 56 B11R2.10 ClC1=NC2=NC=CC=C2N1 15408 [1,0,0,0,0,0|2,0,1]=4 57 B11R2.10 FC1=NC2=C(C=CC=C2)N1 13608 [1,0,0,0,0,0|1,0,1]=3 58 B11R2.10 NC1=NC2=C(C=CC=C2)N1 9020 [1,0,0,0,0,0|1,0,1]=3 59 B11R2.10 NC1=NC2=C(C=CC=C2)O1 17695 [1,0,0,0,0,0|2,0,1]=4 60 B11R2.10 NC1=NC2=C(C=CC=C2)S1 13382 [1,0,0,0,0,0|2,0,1]=4 61 B11R2.10 NC1=NC2=NC=CC=C2N1 33492 [1,0,0,0,0,0|2,0,1]=4 62 B11R2.10 O=C1CC2=C(C=CC=C2)O1 22170 [1,0,0,0,0,0|2,0,0]=3 63 B11R2.10 O=C1CC2=CC=CC=C2C1 9653 [1,0,0,0,0,0|2,0,0]=3 64 B11R2.10 O=C1CC2=CC=CC=C2N1 7177 [1,0,0,0,0,0|1,0,0]=2 65 B11R2.10 O=C1CC2=CC=CN=C2N1 35309 [1,0,0,0,0,0|2,0,0]=3 66 B11R2.10 O=C1CC2=CC=NC=C2N1 17713 [1,0,0,0,0,0|2,0,0]=3 67 B11R2.10 O=C1CN2C=CC=CC2=N1 23698 [1,0,0,0,0,0|2,0,1]=4 68 B11R2.10 O=C1CN2C=CC=CC2=N1 23703 [1,0,0,0,0,0|2,0,1]=4 69 B11R2.10 O=C1NC2=C(C=CC=C2)O1 8633 [1,0,0,0,0,0|1,0,0]=2 70 B11R2.10 O=C1NC2=C(C=CC=C2)S1 21831 [1,0,0,0,0,0|1,0,0]=2 71 B11R2.10 O=C1NC2=CC=CN=C2N1 18669 [1,0,0,0,0,0|1,0,0]=2 72 B11R2.10 O=C1NC2=NC=CC=C2O1 11061 [1,0,0,0,0,0|2,0,0]=3 73 B11R2.10 OC1=NC2=C(C=CC=C2)N1 7606 [1,0,0,0,0,0|0,0,2]=3 74 B11R2.10 SC1=NC2=C(C=CC=C2)N1 13567 [1,0,0,0,0,0|0,1,1]=3 75 B11R2.10 SC1=NC2=C(C=CC=C2)O1 8630 [1,0,0,0,0,0|1,1,1]=4 76 B11R2.10 SC1=NC2=C(C=CC=C2)S1 20577 [1,0,0,0,0,0|1,1,1]=4 77 B13R2.45 CC1=C(C=O)SC2=C1C=CC=C2 7453 [0,1,0,0,0,0|3,0,0]=4 78 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 16250 [0,1,0,0,0,0|1,0,1]=3 79 B13R2.45 CN1C(CCl)=NC2=C1C=CC=C2 16816 [0,1,0,0,0,0|2,0,1]=4 80 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)S1 17140 [0,1,0,0,0,0|3,0,0]=4 81 B13R2.135 CC1=C(C=O)C2=CC=CC=C2N1 7437 [0,1,0,0,0,0|2,0,1]=4 82 B13R2.135 CCN1C(C)=CC2=CC=CC=C21 25686 [0,1,0,0,0,0|3,0,0]=4 83 B13R2.135 CCN1C(C)=NC2=C1C=CC=C2 7660 [0,1,0,0,0,0|2,0,1]=4 84 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 13606 [0,1,0,0,0,0|1,0,1]=3 85 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O 1666 [0,1,0,0,0,0|1,0,1]=3 86 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O 13607 [0,1,0,0,0,0|1,0,1]=3 87 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O 1685 [0,1,0,0,0,0|1,0,1]=3 88 B13R2.3028 O=C1NC2=CC=C(I)C=C2C1=O 15509 [0,1,0,0,0,0|1,0,1]=3 89 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O 16675 [0,1,0,0,0,0|1,0,1]=3 90 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O 15537 [0,1,0,0,0,0|1,0,1]=3 91 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O 1955 [0,1,0,0,0,0|1,0,1]=3 92 B13R2.4825 O=C1NC2=C(I)C=CC=C2C1=O 20658 [0,1,0,0,0,0|1,0,1]=3 93 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O 3903 [0,1,0,0,0,0|1,0,1]=3 94 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O 13911 [0,1,0,0,0,0|1,0,1]=3 95 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O 29201 [0,1,0,0,0,0|1,0,1]=3 96 B13R2.5190 O=C1NC2=CC(Cl)=CC=C2C1=O 13996 [0,1,0,0,0,0|1,0,1]=3 97 B13R2.5190 O=C1NC2=CC(F)=CC=C2C1=O 20320 [0,1,0,0,0,0|1,0,1]=3 98 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 35902 [0,0,1,0,0,0|3,0,0]=4 99 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 21081 [0,0,1,0,0,0|3,0,0]=4 100 B11R1.36 C[C@@H](C(=O)O)c1ccccc1 6079 [0,0,1,0,0,0|3,0,0]=4 101 B11R1.36 C[C@H](C(=O)O)c1ccccc1 6862 [0,0,1,0,0,0|3,0,0]=4 102 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 16346 [0,0,1,0,0,0|2,0,0]=3 103 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 19408 [0,0,1,0,0,0|2,0,0]=3 104 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 16811 [0,0,1,0,0,0|3,0,0]=4 105 B11R1.36 N[C@@H](C(=O)O)c1ccccc1 11005 [0,0,1,0,0,0|3,0,0]=4 106 B11R1.36 N[C@H](C(=O)O)c1ccccc1 23858 [0,0,1,0,0,0|3,0,0]=4 107 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 6066 [0,0,1,0,0,0|2,0,0]=3 108 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 6067 [0,0,1,0,0,0|2,0,0]=3 109 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 21083 [0,0,1,0,0,0|2,0,0]=3 110 B11R1.40 CCC(=O)NC1=CC=CC=C1 3338 [0,0,1,0,0,0|2,0,0]=3 111 B11R1.40 CNC(=O)OC1=CC=CC=C1 35857 [0,0,1,0,0,0|2,0,0]=3 112 B11R1.40 NNC(=S)NC1=CC=CC=C1 10747 [0,0,1,0,0,0|1,1,0]=3 113 B11R1.40 O=C(CF)NC1=CC=CC=C1 3369 [0,0,1,0,0,0|2,0,0]=3 114 B11R1.41 COC1=C(CC=O)C=CC=C1 17222 [0,0,1,0,0,0|3,0,0]=4 115 B13R2.32 CN1C(=O)C=CC2=CC=CC=C21 15912 [0,0,0,0,0,1|2,0,0]=3 116 B13R2.32 OC1=C(Br)C=CC2=CC=CC=C21 28186 [0,0,0,0,0,1|3,0,0]=4 117 B13R2.328 CC1=CC2=CC=CC=C2C(O)=N1 27723 [0,0,0,0,0,1|3,0,0]=4 118 B13R2.328 NC1=CC(=O)C2=CC=CC=C2N1 13209 [0,0,0,0,0,1|2,0,1]=4 119 B13R2.328 NC1=NC2=CC=CC=C2C(O)=N1 27783 [0,0,0,0,0,1|2,0,1]=4 120 B13R2.328 O=C1C=C(O)C2=CC=CC=C2O1 8693 [0,0,0,0,0,1|2,0,0]=3 121 B13R2.328 O=C1NC(=O)C2=C(C=CC=N2)N1 23141 [0,0,0,0,0,1|2,0,1]=4 122 B13R2.328 O=C1NC(=O)C2=C(C=NC=C2)N1 17795 [0,0,0,0,0,1|2,0,1]=4 123 B13R2.328 O=C1NC(=O)C2=C(N=CC=C2)N1 17723 [0,0,0,0,0,1|2,0,1]=4 124 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 13599 [0,0,0,0,0,1|1,0,1]=3 125 B13R2.328 OC1=CC(O)=NC2=CC=CC=C12 7556 [0,0,0,0,0,1|1,0,2]=4 126 B13R2.328 OC1=CC2=CC=CC=C2C(O)=C1 26197 [0,0,0,0,0,1|2,0,1]=4 127 B13R2.328 OC1=NC2=CC=CC=C2C(O)=N1 9671 [0,0,0,0,0,1|1,0,2]=4 128 B13R2.369 CC1=NC2=CC=CC=C2N=C1O 15424 [0,0,0,0,0,1|2,0,1]=4 129 B13R2.369 NC1CC2=CC=CC=C2NC1=O 17875 [0,0,0,0,0,1|2,0,0]=3 130 B13R2.369 NC1CC2=CN=CC=C2NC1=O 17876 [0,0,0,0,0,1|3,0,0]=4 131 B13R2.369 NC1CC2=NC=CC=C2NC1=O 17874 [0,0,0,0,0,1|3,0,0]=4 132 B13R2.369 OC1=NC2=CC=CC=C2N=C1O 25656 [0,0,0,0,0,1|1,0,2]=4 133 B10R1.15 NCC(O)C1=CC=CC=C1 44911 [1,0,1,0,0,0|1,0,1]=4 134 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 13836 [1,0,1,0,0,0|1,0,1]=4 135 B10R1.15 NC[C@H](O)C1=CC=CC=C1 14747 [1,0,1,0,0,0|1,0,1]=4 136 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [1,0,1,0,0,0|2,0,0]=4 137 B10R1.18 NC(=S)NC1=CC=CC=C1 35672 [1,0,1,0,0,0|0,1,0]=3 138 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [1,0,1,0,0,0|2,0,0]=4 139 B10R1.18 O=C(O)CC1=CC=CN=C1 13998 [1,0,1,0,0,0|2,0,0]=4 140 B10R1.18 O=C(O)CC1=CC=NC=C1 14000 [1,0,1,0,0,0|2,0,0]=4 141 B10R1.18 O=C(O)CC1=NC=CC=C1 14404 [1,0,1,0,0,0|2,0,0]=4 142 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [1,0,1,0,0,0|1,0,1]=4 143 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [1,0,1,0,0,0|1,1,0]=4 144 B10R1.20 CCC1=C(C=O)C=CC=C1 3074 [1,0,1,0,0,0|2,0,0]=4 145 B10R1.20 COC1=C(C=O)C=CC=C1 7413 [1,0,1,0,0,0|2,0,0]=4 146 B10R1.20 CSC1=C(C=O)C=CC=C1 10676 [1,0,1,0,0,0|2,0,0]=4 147 B10R1.20 N#CC1=C(C=O)C=CC=C1 7409 [1,0,1,0,0,0|2,0,0]=4 148 B10R1.61 CC1=CC=CC=C1C(=O)O 15431 [1,0,1,0,0,0|2,0,0]=4 149 B10R1.61 NC(=O)C1=CC=CC=C1N 13631 [1,0,1,0,0,0|2,0,0]=4 150 B10R1.61 NC1=C(B(O)O)C=CC=C1 1746 [1,0,1,0,0,0|1,0,1]=4 151 B10R1.61 NC1=C(B(O)O)C=CC=C1 9885 [1,0,1,0,0,0|1,0,1]=4 152 B10R1.61 NC1=C(C(=O)O)C=CC=N1 1216 [1,0,1,0,0,0|2,0,0]=4 153 B10R1.61 NC1=C(C(=O)O)C=CN=C1 16665 [1,0,1,0,0,0|2,0,0]=4 154 B10R1.61 NC1=C(C(=O)O)C=CN=C1 2420 [1,0,1,0,0,0|2,0,0]=4 155 B10R1.61 NC1=CC=CN=C1C(=O)O 2015 [1,0,1,0,0,0|2,0,0]=4 156 B10R1.61 NC1=CC=NC=C1C(=O)O 1214 [1,0,1,0,0,0|2,0,0]=4 157 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 3739 [1,0,1,0,0,0|2,0,0]=4 158 B10R1.61 O=C(O)C1=C(F)C=CC=C1 9650 [1,0,1,0,0,0|2,0,0]=4 159 B10R1.61 O=C(O)C1=C(I)C=CC=C1 3924 [1,0,1,0,0,0|2,0,0]=4 160 B10R1.61 O=C(O)C1=CC=CC=C1S 6841 [1,0,1,0,0,0|2,0,0]=4 161 B10R2.7 C1=CC2=C(C=C1)NC=N2 11074 [2,0,0,0,0,0|0,0,1]=3 162 B10R2.7 C1=CC2=C(C=C1)NN=N2 16004 [2,0,0,0,0,0|1,0,1]=4 163 B10R2.7 C1=CC2=C(C=C1)OC=C2 7003 [2,0,0,0,0,0|2,0,0]=4 164 B10R2.7 C1=CC2=C(C=C1)OC=N2 21884 [2,0,0,0,0,0|1,0,1]=4 165 B10R2.7 C1=CC2=C(C=C1)SC=C2 13545 [2,0,0,0,0,0|2,0,0]=4 166 B10R2.7 C1=CC2=C(N=C1)NC=N2 30310 [2,0,0,0,0,0|1,0,1]=4 167 B10R2.7 C1=CC2=CC=NC=C2N1 7678 [2,0,0,0,0,0|2,0,0]=4 168 B10R2.7 C1=CC2=CN=CC=C2N1 7676 [2,0,0,0,0,0|2,0,0]=4 169 B10R2.7 C1=CC=C2CC=CC2=C1 20728 [2,0,0,0,0,0|2,0,0]=4 170 B10R2.7 C1=CC=C2NCCC2=C1 7502 [2,0,0,0,0,0|1,0,1]=4 171 B10R2.7 C1=CC=C2NN=CC2=C1 15665 [2,0,0,0,0,0|2,0,0]=4 172 B10R2.7 C1=CN=C2C=CNC2=C1 7675 [2,0,0,0,0,0|2,0,0]=4 173 B10R2.7 C1=CN=C2NC=CC2=C1 7679 [2,0,0,0,0,0|2,0,0]=4 174 B12R1.20 NC(=O)[C@H](N)C1=CC=C(O)C=C1 13166 [0,1,1,0,0,0|2,0,0]=4 175 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 26486 [0,1,1,0,0,0|2,0,0]=4 176 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 9267 [0,1,1,0,0,0|1,0,0]=3 177 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 10350 [0,1,1,0,0,0|2,0,0]=4 178 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 13835 [0,1,1,0,0,0|2,0,0]=4 179 B12R1.34 COC(=O)[C@H](O)c1ccccc1 10418 [0,1,1,0,0,0|2,0,0]=4 180 B12R1.124 O=C(O)C(O)C1=C(Cl)C=CC=C1 15895 [0,1,1,0,0,0|2,0,0]=4 181 B12R1.124 O=C(O)[C@@H](O)C1=C(Cl)C=CC=C1 5743 [0,1,1,0,0,0|2,0,0]=4 182 B12R1.124 O=C(O)[C@H](O)C1=C(Cl)C=CC=C1 5742 [0,1,1,0,0,0|2,0,0]=4 183 B12R1.225 O=C(O)C(O)C1=CC(F)=CC=C1 44765 [0,1,1,0,0,0|2,0,0]=4 184 B12R1.225 O=C(O)[C@@H](O)C1=CC(Cl)=CC=C1 25302 [0,1,1,0,0,0|2,0,0]=4 185 B12R1.225 O=C(O)[C@H](O)C1=CC(Cl)=CC=C1 25304 [0,1,1,0,0,0|2,0,0]=4 186 B12R1.32 NCCC(=O)NC1=CC=CC=C1 21788 [0,1,1,0,0,0|2,0,0]=4 187 B12R1.32 NCCC(=O)NC1=CC=CC=C1 21789 [0,1,1,0,0,0|2,0,0]=4 188 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 13915 [0,1,1,0,0,0|2,0,0]=4 189 B12R1.49 O=C(CCl)NC1=CC=C(F)C=C1 8401 [0,1,1,0,0,0|2,0,0]=4 190 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 25681 [0,1,1,0,0,0|2,0,0]=4 191 B12R1.50 O=C(CCl)NC1=CC(F)=CC=C1 8398 [0,1,1,0,0,0|2,0,0]=4 192 B12R1.371 O=C(CCl)NC1=C(F)C=CC=C1 8396 [0,1,1,0,0,0|2,0,0]=4 193 B12R1.75 COC1=C(NC(C)=O)C=CC=C1 3319 [0,1,1,0,0,0|2,0,0]=4 194 B12R1.24 NC1=C(C(=O)C=O)C=CC=C1F 28931 [0,1,1,0,0,0|1,0,1]=4 195 B12R2.1 CCN1C=NC2=C1C=CC=C2 7658 [1,1,0,0,0,0|1,0,1]=4 196 B12R2.1 CON1C=NC2=C1C=CC=C2 8055 [1,1,0,0,0,0|0,0,1]=3 197 B12R2.1 N#CC1=CNC2=CC=CC=C12 7325 [1,1,0,0,0,0|2,0,0]=4 198 B12R2.1 O=CC1=CNC2=CC=CC=C12 7247 [1,1,0,0,0,0|1,0,1]=4 199 B12R2.1 OCC1=NNC2=CC=CC=C21 11866 [1,1,0,0,0,0|2,0,0]=4 200 B12R2.132 BrC1=CC=C2NC=C(Br)C2=C1 8321 [1,1,0,0,0,0|2,0,0]=4 201 B12R2.132 CC1=CC=C2NC=C(Br)C2=C1 8323 [1,1,0,0,0,0|2,0,0]=4 202 B12R2.132 CC1=CNC2=CC=C(F)C=C12 1686 [1,1,0,0,0,0|2,0,0]=4 203 B12R2.132 CC1=CNC2=CC=C(O)C=C12 21876 [1,1,0,0,0,0|2,0,0]=4 204 B12R2.132 ClC1=CC=C2NC=C(Br)C2=C1 8326 [1,1,0,0,0,0|2,0,0]=4 205 B12R2.132 NC1=CNC2=CC=C(Br)C=C12 9446 [1,1,0,0,0,0|2,0,0]=4 206 B12R2.132 ON1N=NC2=C1C=C(Cl)C=C2 12743 [1,1,0,0,0,0|1,0,1]=4 207 B12R2.196 CC1=C2NC=C(Br)C2=CC=C1 8324 [1,1,0,0,0,0|2,0,0]=4 208 B12R2.196 CN1C=CC2=C(N)C=CC=C21 9377 [1,1,0,0,0,0|2,0,0]=4 209 B12R2.196 CN1C=NC2=C1C=CC=C2Br 28934 [1,1,0,0,0,0|1,0,1]=4 210 B12R2.196 ClC1=C2NC=C(Br)C2=CC=C1 7965 [1,1,0,0,0,0|2,0,0]=4 211 B12R2.612 BrC1=CC=C2C(Br)=CNC2=C1 8325 [1,1,0,0,0,0|2,0,0]=4 212 B12R2.612 CN1C=CC2=CC(Br)=CC=C21 7946 [1,1,0,0,0,0|2,0,0]=4 213 B12R2.612 CN1C=CC2=CC(Cl)=CC=C21 16045 [1,1,0,0,0,0|2,0,0]=4 214 B12R2.612 CN1C=CC2=CC(F)=CC=C21 16044 [1,1,0,0,0,0|2,0,0]=4 215 B12R2.612 CN1C=CC2=CC(N)=CC=C21 9381 [1,1,0,0,0,0|2,0,0]=4 216 B12R2.612 CN1C=NC2=C1C=CC(Br)=C2 28125 [1,1,0,0,0,0|1,0,1]=4 217 B12R2.2028 CN1C=C(Br)C2=CC=CC=C21 27908 [1,1,0,0,0,0|2,0,0]=4 218 B12R2.32 C=CC1=NC2=C(C=CC=C2)N1 8069 [1,1,0,0,0,0|1,0,1]=4 219 B12R2.32 CCC1=CC2=CC=CC=C2N1 22566 [1,1,0,0,0,0|2,0,0]=4 220 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 21432 [1,1,0,0,0,0|1,0,1]=4 221 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 7545 [1,1,0,0,0,0|1,0,1]=4 222 B12R2.32 NCC1=CC2=CC=CC=C2N1 20289 [1,1,0,0,0,0|2,0,0]=4 223 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 26374 [1,1,0,0,0,0|1,0,1]=4 224 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 7004 [1,1,0,0,0,0|2,0,0]=4 225 B12R2.32 O=CC1=CC2=CC=CC=C2N1 18050 [1,1,0,0,0,0|1,0,0]=3 226 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 7591 [1,1,0,0,0,0|0,0,1]=3 227 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 14482 [1,1,0,0,0,0|1,0,1]=4 228 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 7590 [1,1,0,0,0,0|0,0,2]=4 229 B12R2.202 CC1=C2NC(=O)NC2=NC=C1 18670 [1,1,0,0,0,0|1,0,0]=3 230 B12R2.202 CC1=CC2=C(O)C=CC=C2N1 9379 [1,1,0,0,0,0|2,0,0]=4 231 B12R2.202 CC1=CC=CC2=C1NC(=O)S2 21873 [1,1,0,0,0,0|1,0,0]=3 232 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 7952 [1,1,0,0,0,0|1,0,0]=3 233 B12R2.202 O=C1CC2=C(Cl)C=CN=C2N1 15482 [1,1,0,0,0,0|2,0,0]=4 234 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 18017 [1,1,0,0,0,0|2,0,0]=4 235 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 8934 [1,1,0,0,0,0|1,0,0]=3 236 B12R2.202 O=C1CC2=CC=CC(Cl)=C2C1 18014 [1,1,0,0,0,0|2,0,0]=4 237 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 8305 [1,1,0,0,0,0|1,0,0]=3 238 B12R2.202 O=C1CC2=CC=CC(F)=C2C1 18006 [1,1,0,0,0,0|2,0,0]=4 239 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 8552 [1,1,0,0,0,0|1,0,0]=3 240 B12R2.202 O=C1NC2=C(C=CC=C2Cl)S1 21835 [1,1,0,0,0,0|1,0,0]=3 241 B12R2.202 O=C1NC2=C(C=CC=C2F)S1 21838 [1,1,0,0,0,0|1,0,0]=3 242 B12R2.202 O=C1NC2=NC=NC(Cl)=C2N1 34409 [1,1,0,0,0,0|2,0,0]=4 243 B12R2.202 OC1=CC=CC2=C1NC(=S)O2 19276 [1,1,0,0,0,0|1,1,0]=4 244 B12R2.606 CC1=CC2=C(C=C1)N=C(C)N2 7657 [1,1,0,0,0,0|1,0,1]=4 245 B12R2.606 CC1=CC2=C(C=C1)N=C(S)N2 7610 [1,1,0,0,0,0|0,1,1]=4 246 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 21721 [1,1,0,0,0,0|1,0,0]=3 247 B12R2.606 CC1=CC2=CC(Br)=CC=C2N1 9382 [1,1,0,0,0,0|2,0,0]=4 248 B12R2.606 CC1=CC2=CC(Cl)=CC=C2N1 17201 [1,1,0,0,0,0|2,0,0]=4 249 B12R2.606 CC1=CC2=CC(F)=CC=C2N1 2158 [1,1,0,0,0,0|2,0,0]=4 250 B12R2.606 CC1=CC2=CC(N)=CC=C2N1 7273 [1,1,0,0,0,0|2,0,0]=4 251 B12R2.606 CC1=CC2=CC(O)=CC=C2N1 8551 [1,1,0,0,0,0|2,0,0]=4 252 B12R2.606 CC1=CC2=CC=C(Cl)C=C2N1 19921 [1,1,0,0,0,0|2,0,0]=4 253 B12R2.606 CC1=CC2=CC=C(F)C=C2N1 19920 [1,1,0,0,0,0|2,0,0]=4 254 B12R2.606 CC1=CC2=CC=C(O)C=C2N1 19945 [1,1,0,0,0,0|2,0,0]=4 255 B12R2.606 CC1=CC=C2NC(=O)CC2=C1 8314 [1,1,0,0,0,0|1,0,0]=3 256 B12R2.606 CC1=CC=C2NC(C)=CC2=C1 7330 [1,1,0,0,0,0|2,0,0]=4 257 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)N1 7651 [1,1,0,0,0,0|1,0,1]=4 258 B12R2.606 CC1=NC2=C(C=C(F)C=C2)N1 6528 [1,1,0,0,0,0|1,0,1]=4 259 B12R2.606 CC1=NC2=C(C=C(I)C=C2)N1 27312 [1,1,0,0,0,0|1,0,1]=4 260 B12R2.606 CC1=NC2=C(C=C(N)C=C2)N1 33480 [1,1,0,0,0,0|1,0,1]=4 261 B12R2.606 ClC1=CC2=C(C=C1)NC(Cl)=N2 32274 [1,1,0,0,0,0|1,0,1]=4 262 B12R2.606 NC1=CC2=C(C=C1)N=C(S)N2 15049 [1,1,0,0,0,0|0,1,1]=4 263 B12R2.606 NC1=CC2=C(C=C1)NC(=O)S2 21730 [1,1,0,0,0,0|1,0,0]=3 264 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 7209 [1,1,0,0,0,0|1,0,0]=3 265 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)N1 27876 [1,1,0,0,0,0|1,0,1]=4 266 B12R2.606 NC1=NC2=C(C=CC(Cl)=C2)N1 7587 [1,1,0,0,0,0|1,0,1]=4 267 B12R2.606 NC1=NC2=C(C=CC(O)=C2)N1 34431 [1,1,0,0,0,0|1,0,1]=4 268 B12R2.606 Nc1ccc2nc(=O)nc2c1 7162 [1,1,0,0,0,0|0,0,2]=4 269 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 7169 [1,1,0,0,0,0|1,0,0]=3 270 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 15490 [1,1,0,0,0,0|2,0,0]=4 271 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 1673 [1,1,0,0,0,0|1,0,0]=3 272 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 15989 [1,1,0,0,0,0|2,0,0]=4 273 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 1687 [1,1,0,0,0,0|1,0,0]=3 274 B12R2.606 O=C1CC2=CC(O)=CC=C2N1 7348 [1,1,0,0,0,0|1,0,0]=3 275 B12R2.606 O=C1CC2=CC=C(Br)C=C2C1 18044 [1,1,0,0,0,0|2,0,0]=4 276 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 7320 [1,1,0,0,0,0|1,0,0]=3 277 B12R2.606 O=C1CC2=CC=C(Cl)C=C2C1 18039 [1,1,0,0,0,0|2,0,0]=4 278 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 1674 [1,1,0,0,0,0|1,0,0]=3 279 B12R2.606 O=C1CC2=CC=C(Cl)N=C2N1 15487 [1,1,0,0,0,0|2,0,0]=4 280 B12R2.606 O=C1CC2=CC=C(F)C=C2C1 18032 [1,1,0,0,0,0|2,0,0]=4 281 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 1688 [1,1,0,0,0,0|1,0,0]=3 282 B12R2.606 O=C1CC2=CC=C(I)C=C2C1 18087 [1,1,0,0,0,0|2,0,0]=4 283 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 21893 [1,1,0,0,0,0|1,0,0]=3 284 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)S1 21839 [1,1,0,0,0,0|1,0,0]=3 285 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)O1 8644 [1,1,0,0,0,0|1,0,0]=3 286 B12R2.606 O=C1NC2=C(C=C(F)C=C2)S1 21837 [1,1,0,0,0,0|1,0,0]=3 287 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 21892 [1,1,0,0,0,0|1,0,0]=3 288 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)S1 21841 [1,1,0,0,0,0|1,0,0]=3 289 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)O1 8642 [1,1,0,0,0,0|1,0,0]=3 290 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)S1 13573 [1,1,0,0,0,0|1,0,0]=3 291 B12R2.606 O=C1NC2=NC=C(Br)C=C2O1 17712 [1,1,0,0,0,0|2,0,0]=4 292 B12R2.606 O=C1NC2=NC=C(Cl)C=C2O1 26466 [1,1,0,0,0,0|2,0,0]=4 293 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 15342 [1,1,0,0,0,0|2,0,0]=4 294 B12R2.606 SC1=NC2=C(C=C(Br)C=C2)N1 14386 [1,1,0,0,0,0|0,1,1]=4 295 B14R2.7724 CC1=CC(=O)N(C)C2=CC=CC=C12 24838 [0,1,0,0,0,1|2,0,0]=4 296 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 12885 [0,1,0,0,0,1|2,0,0]=4 297 B14R2.29369 CN1C(=O)CNC2=CC(Cl)=CC=C21 34758 [0,1,0,0,0,1|1,0,0]=3 298 B14R2.1146 O=C1C=C(CBr)C2=CC=CC=C2N1 14091 [0,1,0,0,0,1|2,0,0]=4 299 B14R2.8235 CC1=CC=C2NC(=O)OC(=O)C2=C1 19767 [0,1,0,0,0,1|1,0,1]=4 300 B14R2.8235 O=C1C=C(O)C2=CC(Cl)=CC=C2O1 24343 [0,1,0,0,0,1|2,0,0]=4 301 B14R2.8235 O=C1NC(=O)C2=CC(Br)=CC=C2N1 20961 [0,1,0,0,0,1|1,0,1]=4 302 B14R2.8235 O=C1NC2=CC=C(Br)C=C2C(=O)O1 12764 [0,1,0,0,0,1|1,0,1]=4 303 B14R2.8235 O=C1NC2=CC=C(Cl)C=C2C(=O)O1 2115 [0,1,0,0,0,1|1,0,1]=4 304 B14R2.8235 O=C1NC2=CC=C(F)C=C2C(=O)O1 1956 [0,1,0,0,0,1|1,0,1]=4 305 B14R2.28480 O=C1NC2=CC=CC(Cl)=C2C(=O)O1 13597 [0,1,0,0,0,1|1,0,1]=4 306 B14R2.28480 O=C1NC2=CC=CC(F)=C2C(=O)O1 13595 [0,1,0,0,0,1|1,0,1]=4 307 B14R2.29365 O=C1NC(=O)C2=CC=C(F)C=C2N1 14315 [0,1,0,0,0,1|1,0,1]=4 308 B14R2.29365 O=C1NC2=CC(Br)=CC=C2C(=O)O1 12757 [0,1,0,0,0,1|1,0,1]=4 309 B14R2.29365 O=C1NC2=CC(Cl)=CC=C2C(=O)O1 12751 [0,1,0,0,0,1|1,0,1]=4 310 B14R2.8239 NC1CC2=CC=C(Cl)C=C2NC1=O 14885 [0,1,0,0,0,1|2,0,0]=4 311 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 20609 [0,2,0,0,0,0|2,0,0]=4 312 B14R2.642 CC(=O)N1C(=O)OC2=C1C=CC=C2 8658 [0,2,0,0,0,0|1,0,1]=4 313 B14R2.645 CC1=C(F)C=C2C(=O)C(=O)NC2=C1 29122 [0,2,0,0,0,0|1,0,1]=4 314 B14R2.645 CC1=C(F)C=C2NC(=O)C(=O)C2=C1 29124 [0,2,0,0,0,0|1,0,1]=4 315 B14R2.645 O=C1NC2=CC(F)=C(Br)C=C2C1=O 25230 [0,2,0,0,0,0|1,0,1]=4 316 B14R2.645 O=C1NC2=CC(F)=C(F)C=C2C1=O 29177 [0,2,0,0,0,0|1,0,1]=4 317 B14R2.645 O=C1NC2=CC(F)=C(F)C=C2C1=O 31699 [0,2,0,0,0,0|1,0,1]=4 318 B14R2.3274 CCC1=CC=C2NC(=O)C(=O)C2=C1 33529 [0,2,0,0,0,0|1,0,1]=4 319 B14R2.3274 COC1=CC=C2NC(=O)C(=O)C2=C1 8000 [0,2,0,0,0,0|1,0,1]=4 320 B14R2.4506 CC1=CC=C2NC(=O)C(=O)C2=C1Br 13604 [0,2,0,0,0,0|1,0,1]=4 321 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(Cl)=C1 13601 [0,2,0,0,0,0|1,0,1]=4 322 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(F)=C1 29123 [0,2,0,0,0,0|1,0,1]=4 323 B14R2.9184 CC1=CC(Br)=C2NC(=O)C(=O)C2=C1 7944 [0,2,0,0,0,0|1,0,1]=4 324 B14R2.9184 CC1=CC(F)=C2NC(=O)C(=O)C2=C1 17970 [0,2,0,0,0,0|1,0,1]=4 325 B14R2.9184 O=C1NC2=C(Cl)C=C(Cl)C=C2C1=O 22561 [0,2,0,0,0,0|1,0,1]=4 326 B14R2.8620 CC1=C2C(=O)C(=O)NC2=C(F)C=C1 29126 [0,2,0,0,0,0|1,0,1]=4 327 B14R2.8620 CC1=C2NC(=O)C(=O)C2=C(Br)C=C1 13603 [0,2,0,0,0,0|1,0,1]=4 328 B14R2.8620 CC1=C2NC(=O)C(=O)C2=C(Cl)C=C1 29243 [0,2,0,0,0,0|1,0,1]=4 329 B14R2.8620 CC1=C2NC(=O)C(=O)C2=C(F)C=C1 29121 [0,2,0,0,0,0|1,0,1]=4 330 B14R2.8620 O=C1NC2=C(Br)C=CC(F)=C2C1=O 20357 [0,2,0,0,0,0|1,0,1]=4 331 B14R2.8620 O=C1NC2=C(F)C=CC(F)=C2C1=O 15260 [0,2,0,0,0,0|1,0,1]=4 332 B14R2.8737 CC1=C2NC(=O)C(=O)C2=CC=C1F 29125 [0,2,0,0,0,0|1,0,1]=4 333 B14R2.8737 CC1=CC=C2C(=O)C(=O)NC2=C1F 17138 [0,2,0,0,0,0|1,0,1]=4 334 B14R2.8737 CC1=CC=C2C(=O)C(=O)NC2=C1F 29127 [0,2,0,0,0,0|1,0,1]=4 335 B14R2.11645 CCC1=C2NC(=O)C(=O)C2=CC=C1 27688 [0,2,0,0,0,0|1,0,1]=4 336 B14R2.11645 COC1=C2NC(=O)C(=O)C2=CC=C1 15517 [0,2,0,0,0,0|1,0,1]=4 337 B14R2.27750 O=C1NC2=CC(F)=CC(Cl)=C2C1=O 31700 [0,2,0,0,0,0|1,0,1]=4 338 B14R2.1815 O=C1NC2=CC(CF)=CC=C2C1=O 29176 [0,2,0,0,0,0|1,0,1]=4 339 B12R2.24 O=C1COC2=C(C=CC=C2)N1 18791 [0,0,1,1,0,0|1,0,0]=3 340 B12R2.24 O=C1COC2=CC=CC=C2C1 9704 [0,0,1,1,0,0|2,0,0]=4 341 B12R2.315 OCC1=C2NC=CC2=CC=C1 7962 [0,0,1,1,0,0|2,0,0]=4 342 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 13910 [0,0,1,0,0,1|2,0,0]=4 343 B12R1.27 NNC(=O)OCC1=CC=CC=C1 13705 [0,0,1,0,0,1|2,0,0]=4 344 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 12461 [0,0,1,0,0,1|2,0,0]=4 345 B12R1.27 O=C(NO)OCC1=CC=CC=C1 22874 [0,0,1,0,0,1|1,0,0]=3