0 B13R2.328 CC1=CC(C)=NC2=CC=CC=C12 5875 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 5879 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 5862 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.328 CC1=CC2=CC=CC=C2C(Cl)=N1 19783 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.328 CC1=CC2=CC=CC=C2C(O)=N1 27723 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.328 ClC1=CC(Cl)=NC2=NC=CC=C12 17843 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.328 ClC1=CC2=CC=CC=C2C(Cl)=N1 7254 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.328 ClC1=NC(Cl)=C2C=CC=NC2=C1 14653 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.328 ClC1=NC2=C(C=CN=C2)C(Cl)=N1 15425 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.328 ClC1=NC2=C(N=CC=C2)C(Cl)=N1 15434 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.328 ClC1=NC2=CC=CC=C2C(Cl)=N1 9668 [0,0,0,0,0,0|2,0,0]=2 11 B13R2.328 FC1=CC(Br)=CC2=CC=CC=C12 13690 [0,0,0,0,0,0|4,0,0]=4 12 B13R2.328 NC1=CC(=O)C2=CC=CC=C2N1 13209 [0,0,0,0,0,0|2,0,1]=3 13 B13R2.328 NC1=CC(Br)=NC2=CC=CC=C12 27641 [0,0,0,0,0,0|2,0,0]=2 14 B13R2.328 NC1=NC(Br)=C2N=CC=CC2=C1 17839 [0,0,0,0,0,0|3,0,0]=3 15 B13R2.328 NC1=NC2=CC=CC=C2C(Br)=C1 27898 [0,0,0,0,0,0|2,0,0]=2 16 B13R2.328 NC1=NC2=CC=CC=C2C(Cl)=C1 27781 [0,0,0,0,0,0|2,0,0]=2 17 B13R2.328 NC1=NC2=CC=CC=C2C(O)=N1 27783 [0,0,0,0,0,0|1,0,0]=1 18 B13R2.328 O=C1C=C(O)C2=CC=CC=C2O1 8693 [0,0,0,0,0,0|4,0,0]=4 19 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 13599 [0,0,0,0,0,0|3,0,1]=4 20 B13R2.328 OC1=CC(O)=NC2=CC=CC=C12 7556 [0,0,0,0,0,0|3,0,0]=3 21 B13R2.328 OC1=CC2=CC=CC=C2C(O)=C1 26197 [0,0,0,0,0,0|4,0,0]=4 22 B13R2.328 OC1=NC2=CC=CC=C2C(O)=N1 9671 [0,0,0,0,0,0|2,0,0]=2 23 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 9426 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 20629 [1,0,0,0,0,0|2,0,0]=3 25 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 21827 [1,0,0,0,0,0|2,0,0]=3 26 B12R2.24 BrC1=NC2=CN=CC=C2C=C1 25764 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.24 BrC1=NC2=NC=CC=C2C=C1 18424 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.24 CC1=NC2=C(C=CC=C2)N=N1 24093 [1,0,0,0,0,0|2,0,0]=3 29 B12R2.24 CC1=NC2=CC=CC=C2C=C1 5809 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.24 CC1=NC2=NC=CC=C2C=C1 13904 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.24 ClC1=CC2=CC=CC=C2C=C1 9464 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 6215 [1,0,0,0,0,0|2,0,0]=3 33 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 7580 [1,0,0,0,0,0|2,0,0]=3 34 B12R2.24 ClC1=NC2=CC=CC=C2C=N1 14666 [1,0,0,0,0,0|1,0,0]=2 35 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 15447 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.24 ClC1=NC2=CC=NC=C2C=C1 14667 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.24 ClC1=NC2=CN=CC=C2C=C1 25766 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.24 ClC1=NC2=NC=CC=C2C=C1 18422 [1,0,0,0,0,0|3,0,0]=4 39 B12R2.24 FC1=CC2=CC=CC=C2C=C1 19886 [1,0,0,0,0,0|3,0,0]=4 40 B12R2.24 IC1=NC2=CC=CC=C2C=C1 24681 [1,0,0,0,0,0|2,0,0]=3 41 B12R2.24 NC1=CC2=CC=CC=C2C=C1 23236 [1,0,0,0,0,0|2,0,0]=3 42 B12R2.24 NC1=CC2=CC=CC=C2C=N1 6217 [1,0,0,0,0,0|1,0,0]=2 43 B12R2.24 NC1=CC2=CC=CC=C2N=C1 12769 [1,0,0,0,0,0|3,0,0]=4 44 B12R2.24 NC1=CC=C2C=CC=NC2=C1 12786 [1,0,0,0,0,0|3,0,0]=4 45 B12R2.24 NC1=CC=C2C=CN=CC2=C1 12737 [1,0,0,0,0,0|3,0,0]=4 46 B12R2.24 NC1=CC=C2C=NC=CC2=C1 34666 [1,0,0,0,0,0|3,0,0]=4 47 B12R2.24 NC1=CC=C2N=CC=CC2=C1 24732 [1,0,0,0,0,0|3,0,0]=4 48 B12R2.24 NC1=NC2=CC=CC=C2C=C1 5818 [1,0,0,0,0,0|1,0,0]=2 49 B12R2.24 NC1=NC2=CC=CC=C2N=C1 15443 [1,0,0,0,0,0|2,0,0]=3 50 B12R2.24 NC1=NC2=CC=CN=C2C=C1 18361 [1,0,0,0,0,0|2,0,0]=3 51 B12R2.24 NC1=NC2=CN=CC=C2C=C1 25757 [1,0,0,0,0,0|2,0,0]=3 52 B12R2.24 O=C1C=CC2=CC=CC=C2O1 21620 [1,0,0,0,0,0|3,0,0]=4 53 B12R2.24 OC1=NC2=CC=CC=C2N=C1 15472 [1,0,0,0,0,0|3,0,0]=4 54 B12R2.24 OC1=NC2=CC=CN=C2C=C1 27746 [1,0,0,0,0,0|3,0,0]=4 55 B12R2.24 SC1=CC2=CC=CC=C2C=C1 6833 [1,0,0,0,0,0|3,0,0]=4 56 B12R2.24 SC1=NC2=CC=CC=C2N=C1 15427 [1,0,0,0,0,0|3,0,0]=4 57 B12R2.1081 BrC1=CC=NC2=CC=CC=C12 7115 [1,0,0,0,0,0|2,0,0]=3 58 B12R2.1081 BrC1=NC=CC2=CC=CC=C21 6211 [1,0,0,0,0,0|2,0,0]=3 59 B12R2.1081 BrC1=NC=CC2=CC=NC=C21 33503 [1,0,0,0,0,0|3,0,0]=4 60 B12R2.1081 Brc1cccc2ccccc12 36195 [1,0,0,0,0,0|3,0,0]=4 61 B12R2.1081 CC1=NC=CC2=CC=CC=C21 17034 [1,0,0,0,0,0|2,0,0]=3 62 B12R2.1081 ClC1=C2C=CC=NC2=CC=N1 14684 [1,0,0,0,0,0|3,0,0]=4 63 B12R2.1081 ClC1=C2N=CC=CC2=CC=N1 33824 [1,0,0,0,0,0|3,0,0]=4 64 B12R2.1081 ClC1=CC=CC2=CC=CC=C12 9388 [1,0,0,0,0,0|3,0,0]=4 65 B12R2.1081 ClC1=CN=NC2=CC=CC=C12 19950 [1,0,0,0,0,0|3,0,0]=4 66 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 13906 [1,0,0,0,0,0|2,0,0]=3 67 B12R2.1081 ClC1=NC=CC2=CC=NC=C21 33500 [1,0,0,0,0,0|3,0,0]=4 68 B12R2.1081 ClC1=NC=NC2=C1C=CC=N2 15499 [1,0,0,0,0,0|2,0,0]=3 69 B12R2.1081 ClC1=NC=NC2=C1C=CN=C2 15460 [1,0,0,0,0,0|2,0,0]=3 70 B12R2.1081 ClC1=NC=NC2=C1C=NC=C2 14682 [1,0,0,0,0,0|2,0,0]=3 71 B12R2.1081 ClC1=NC=NC2=C1N=CC=C2 15525 [1,0,0,0,0,0|2,0,0]=3 72 B12R2.1081 ClC1=NC=NC2=CC=CC=C21 18629 [1,0,0,0,0,0|1,0,0]=2 73 B12R2.1081 FC1=CC=CC2=CC=CC=C12 10866 [1,0,0,0,0,0|3,0,0]=4 74 B12R2.1081 IC1=CC=CC2=CC=CC=C12 28941 [1,0,0,0,0,0|3,0,0]=4 75 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 7576 [1,0,0,0,0,0|3,0,0]=4 76 B12R2.1081 NC1=C2C=CN=CC2=CC=C1 7569 [1,0,0,0,0,0|3,0,0]=4 77 B12R2.1081 NC1=C2C=NC=CC2=CC=C1 6251 [1,0,0,0,0,0|3,0,0]=4 78 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 7574 [1,0,0,0,0,0|3,0,0]=4 79 B12R2.1081 NC1=C2N=CC=CC2=CC=N1 6410 [1,0,0,0,0,0|2,0,0]=3 80 B12R2.1081 NC1=CC=CC2=CC=CC=C12 23886 [1,0,0,0,0,0|2,0,0]=3 81 B12R2.1081 NC1=CC=NC2=CC=CC=C12 12777 [1,0,0,0,0,0|1,0,0]=2 82 B12R2.1081 NC1=CN=CC2=CC=CC=C12 12825 [1,0,0,0,0,0|3,0,0]=4 83 B12R2.1081 NC1=NC=CC2=CC=CC=C21 18941 [1,0,0,0,0,0|1,0,0]=2 84 B12R2.1081 NC1=NC=CC2=CC=NC=C21 33499 [1,0,0,0,0,0|2,0,0]=3 85 B12R2.1081 NC1=NC=NC2=C1C=NC=C2 33509 [1,0,0,0,0,0|1,0,0]=2 86 B12R2.1081 O=C1N=NNC2=C1C=CC=C2 14541 [1,0,0,0,0,0|2,0,1]=4 87 B12R2.1081 O=C1NC=NC2=C1C=CC=N2 23161 [1,0,0,0,0,0|2,0,1]=4 88 B12R2.1081 O=C1NC=NC2=C1C=CN=C2 35566 [1,0,0,0,0,0|2,0,1]=4 89 B12R2.1081 O=C1NC=NC2=C1C=NC=C2 33510 [1,0,0,0,0,0|2,0,1]=4 90 B12R2.1081 OC1=CC=CC2=CC=CC=C12 16938 [1,0,0,0,0,0|3,0,0]=4 91 B12R2.1081 OC1=CC=NC2=CC=CC=C12 7559 [1,0,0,0,0,0|2,0,0]=3 92 B12R2.1081 OC1=NC=CC2=CC=CC=C21 6257 [1,0,0,0,0,0|2,0,0]=3 93 B12R2.1081 OC1=NC=NC2=CC=CC=C21 30410 [1,0,0,0,0,0|1,0,0]=2 94 B14R2.1019 CC1=NC(CCl)=NC2=CC=CC=C21 25317 [0,1,0,0,0,0|2,0,0]=3 95 B14R2.1019 CCC1=NC2=CC=CC=C2C(=O)N1 22343 [0,1,0,0,0,0|2,0,1]=4 96 B14R2.1019 O=C1NC(CCl)=NC2=CC=CC=C12 16817 [0,1,0,0,0,0|2,0,1]=4 97 B14R2.1146 CC1=NC2=CC=CC=C2C(CBr)=C1 18391 [0,1,0,0,0,0|3,0,0]=4 98 B14R2.1146 CC1=NC2=CC=CC=C2C(CCl)=C1 10957 [0,1,0,0,0,0|3,0,0]=4 99 B14R2.8045 CC1=CC(C)=NC2=C(O)C=CC=C12 24421 [0,1,0,0,0,0|3,0,0]=4 100 B14R2.8045 CC1=NC2=C(O)C=CC=C2C(=O)N1 15449 [0,1,0,0,0,0|2,0,1]=4 101 B14R2.8045 CC1=NC2=C(O)C=CC=C2C(Cl)=C1 24422 [0,1,0,0,0,0|3,0,0]=4 102 B14R2.8045 ClC1=NC2=C(Br)C=CC=C2C(Cl)=N1 25327 [0,1,0,0,0,0|2,0,0]=3 103 B14R2.8045 FC1=C2N=C(Cl)N=C(Cl)C2=CC=C1 18749 [0,1,0,0,0,0|2,0,0]=3 104 B14R2.8045 OC1=NC2=C(Br)C=CC=C2C(O)=N1 24138 [0,1,0,0,0,0|2,0,0]=3 105 B14R2.8235 CC1=CC=C2N=C(Cl)N=C(Cl)C2=C1 23095 [0,1,0,0,0,0|2,0,0]=3 106 B14R2.8235 CC1=NC(Cl)=NC2=CC=C(Br)C=C21 8312 [0,1,0,0,0,0|2,0,0]=3 107 B14R2.8235 CC1=NC2=C(C=C(Br)C=C2)C(=O)O1 16162 [0,1,0,0,0,0|3,0,0]=4 108 B14R2.8235 ClC1=CC2=CC=C(Br)C=C2C(Cl)=N1 18358 [0,1,0,0,0,0|3,0,0]=4 109 B14R2.8235 ClC1=CC=C2N=C(Cl)N=C(Cl)C2=C1 23074 [0,1,0,0,0,0|2,0,0]=3 110 B14R2.8235 ClC1=NC2=CC=C(Br)C=C2C(Cl)=N1 14690 [0,1,0,0,0,0|2,0,0]=3 111 B14R2.8235 ClC1=NC2=CC=C(I)C=C2C(Cl)=N1 23075 [0,1,0,0,0,0|2,0,0]=3 112 B14R2.8235 FC1=CC=C2N=C(Cl)C=C(Cl)C2=C1 13935 [0,1,0,0,0,0|3,0,0]=4 113 B14R2.8235 FC1=CC=C2N=C(Cl)N=C(Cl)C2=C1 14294 [0,1,0,0,0,0|2,0,0]=3 114 B14R2.8235 NC1=NC(Cl)=NC2=CC=C(F)C=C21 14299 [0,1,0,0,0,0|1,0,0]=2 115 B14R2.8235 NC1=NC2=CC=C(Br)C=C2C(O)=N1 27780 [0,1,0,0,0,0|1,0,0]=2 116 B14R2.8235 O=C1NC(Cl)=NC2=CC=C(F)C=C12 14301 [0,1,0,0,0,0|2,0,1]=4 117 B14R2.8235 OC1=NC2=CC=C(F)C=C2C(O)=N1 14296 [0,1,0,0,0,0|2,0,0]=3 118 B14R2.28480 CC1=CC(O)=NC2=CC=CC(C)=C12 35043 [0,1,0,0,0,0|3,0,0]=4 119 B14R2.28480 FC1=C2C(=CC=C1)N=C(Cl)N=C2Cl 18753 [0,1,0,0,0,0|2,0,0]=3 120 B14R2.28480 NC1=NC2=CC=CC(Cl)=C2C(N)=N1 6312 [0,1,0,0,0,0|0,0,0]=1 121 B14R2.28480 NC1=NC2=CC=CC(F)=C2C(N)=N1 6314 [0,1,0,0,0,0|0,0,0]=1 122 B14R2.29365 CC1=CC=C2C(=C1)N=C(Cl)N=C2Cl 23094 [0,1,0,0,0,0|2,0,0]=3 123 B14R2.29365 ClC1=CC2=CC(Br)=CC=C2C(Cl)=N1 6282 [0,1,0,0,0,0|3,0,0]=4 124 B14R2.29365 ClC1=CC=C2C(=C1)N=C(Cl)N=C2Cl 18745 [0,1,0,0,0,0|2,0,0]=3 125 B14R2.29365 ClC1=NC2=C(C=C1)C(Cl)=NC(Cl)=N2 20630 [0,1,0,0,0,0|3,0,0]=4 126 B14R2.29365 ClC1=NC2=CC(Br)=CC=C2C(Cl)=N1 20944 [0,1,0,0,0,0|2,0,0]=3 127 B14R2.29365 ClC1=NC2=CC(I)=CC=C2C(Cl)=N1 23096 [0,1,0,0,0,0|2,0,0]=3 128 B14R2.29365 FC1=CC=C2C(=C1)N=C(Cl)N=C2Cl 14316 [0,1,0,0,0,0|2,0,0]=3 129 B14R2.29365 NC1=NC(Cl)=NC2=CC(F)=CC=C21 14308 [0,1,0,0,0,0|1,0,0]=2 130 B14R2.29365 NC1=NC2=CC(Br)=CC=C2C(O)=N1 27779 [0,1,0,0,0,0|1,0,0]=2 131 B14R2.29365 O=C1NC(Cl)=NC2=CC(F)=CC=C12 14312 [0,1,0,0,0,0|2,0,1]=4 132 B14R2.29365 OC1=NC2=C(C=CC(Cl)=N2)C(O)=N1 23136 [0,1,0,0,0,0|3,0,0]=4 133 B12R1.107 NC(=S)NC(=O)C1=CC=CC=C1 35765 [0,0,1,0,0,0|2,0,1]=4 134 B12R1.283 CCOC1=C(C(=N)N)C=CC=C1 11862 [0,0,1,0,0,0|2,0,1]=4 135 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 7334 [0,0,0,0,1,0|2,0,1]=4 136 B12R2.18 CN1C(S)=NC2=C1C=CC=C2 8070 [0,0,0,0,1,0|3,0,0]=4 137 B12R2.18 O=C1NC2=CC=CC=C2C1=O 13609 [0,0,0,0,1,0|2,0,1]=4 138 B12R2.246 CC1=NC2=C(C=CN2)C(Cl)=N1 16295 [0,0,0,0,1,0|3,0,0]=4 139 B12R2.246 CC1=NC2=C(SC=C2)C(Cl)=N1 25356 [0,0,0,0,1,0|3,0,0]=4 140 B12R2.246 ClC1=NC2=C(C=CN2)C(Cl)=N1 14941 [0,0,0,0,1,0|3,0,0]=4 141 B12R2.246 ClC1=NC2=C(C=CS2)C(Cl)=N1 18843 [0,0,0,0,1,0|3,0,0]=4 142 B12R2.246 ClC1=NC2=C(NC=C2)C(Cl)=N1 14692 [0,0,0,0,1,0|3,0,0]=4 143 B12R2.246 ClC1=NC2=C(OC=C2)C(Cl)=N1 22961 [0,0,0,0,1,0|3,0,0]=4 144 B12R2.246 ClC1=NC2=C(SC=C2)C(Cl)=N1 14660 [0,0,0,0,1,0|3,0,0]=4 145 B12R2.246 NC1=C2NC=NC2=NC(Cl)=N1 9259 [0,0,0,0,1,0|3,0,0]=4 146 B12R2.246 NC1=C2NC=NC2=NC(F)=N1 9260 [0,0,0,0,1,0|3,0,0]=4 147 B12R2.246 NC1=C2NC=NC2=NC(I)=N1 9678 [0,0,0,0,1,0|3,0,0]=4 148 B12R2.246 NC1=C2NC=NC2=NC(O)=N1 9258 [0,0,0,0,1,0|3,0,0]=4 149 B12R2.246 NC1=NC(Cl)=C2C=NNC2=N1 34705 [0,0,0,0,1,0|3,0,0]=4 150 B12R2.246 NC1=NC(Cl)=C2NC=NC2=N1 9187 [0,0,0,0,1,0|3,0,0]=4 151 B12R2.246 NC1=NC(I)=C2NC=NC2=N1 9213 [0,0,0,0,1,0|3,0,0]=4 152 B12R2.246 NC1=NC(N)=C2C=NNC2=N1 16760 [0,0,0,0,1,0|2,0,0]=3 153 B12R2.246 NC1=NC(N)=C2NC=NC2=N1 9203 [0,0,0,0,1,0|2,0,0]=3 154 B12R2.246 NC1=NC(O)=C2C=CN=C2N1 20800 [0,0,0,0,1,0|2,0,1]=4 155 B12R2.246 NC1=NC(O)=C2NC=NC2=N1 9189 [0,0,0,0,1,0|3,0,0]=4 156 B12R2.246 NC1=NC(S)=C2NC=NC2=N1 9185 [0,0,0,0,1,0|3,0,0]=4 157 B12R2.246 NC1=NC(S)=NC2=C1C=CN2 13008 [0,0,0,0,1,0|2,0,0]=3 158 B12R2.246 NC1=NC2=C(C=CN2)C(Cl)=N1 17791 [0,0,0,0,1,0|2,0,0]=3 159 B12R2.246 NC1=NC2=C(NC=C2)C(Cl)=N1 17797 [0,0,0,0,1,0|2,0,0]=3 160 B12R2.246 OC1=NC2=C(C=CN2)C(O)=N1 23154 [0,0,0,0,1,0|3,0,0]=4 161 B12R2.2028 CN1N=C(N)C2=CC=CN=C21 15809 [0,0,0,0,1,0|3,0,0]=4 162 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 15713 [0,0,0,0,1,0|2,0,1]=4 163 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 35955 [0,0,0,0,1,0|2,0,1]=4 164 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 17494 [0,0,0,0,1,0|3,0,0]=4 165 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 11078 [1,0,1,0,0,0|2,0,0]=4 166 B11R2.20 C1=CC2=CC=NC=C2C=N1 18345 [2,0,0,0,0,0|2,0,0]=4 167 B11R2.20 C1=CC2=CN=CC=C2N=C1 18071 [2,0,0,0,0,0|2,0,0]=4 168 B11R2.20 C1=CC=C2C=NC=CC2=C1 7536 [2,0,0,0,0,0|1,0,0]=3 169 B11R2.20 C1=CN=C2C=CC=NC2=C1 18072 [2,0,0,0,0,0|2,0,0]=4 170 B11R2.20 C1=CN=C2N=CC=CC2=C1 16485 [2,0,0,0,0,0|2,0,0]=4 171 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 34401 [1,1,0,0,0,0|2,0,0]=4 172 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=N1 27750 [1,1,0,0,0,0|1,0,0]=3 173 B13R2.32 NC1=C(N)C2=CC=CC=C2C=C1 35202 [1,1,0,0,0,0|2,0,0]=4 174 B13R2.57 BrCC1=CC2=CC=CC=C2C=N1 23798 [1,1,0,0,0,0|2,0,0]=4 175 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 23800 [1,1,0,0,0,0|2,0,0]=4 176 B13R2.57 COC1=NC2=CC=CC=C2C=C1 23493 [1,1,0,0,0,0|2,0,0]=4 177 B13R2.57 N#CC1=CC2=CC=CC=C2C=N1 16887 [1,1,0,0,0,0|1,0,1]=4 178 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 36052 [1,1,0,0,0,0|1,0,1]=4 179 B13R2.57 NNC1=NC2=CC=CC=C2C=C1 5819 [1,1,0,0,0,0|1,0,0]=3 180 B13R2.57 NNC1=NC2=CC=CC=C2N=C1 15444 [1,1,0,0,0,0|2,0,0]=4 181 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 2277 [1,1,0,0,0,0|2,0,0]=4 182 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 5850 [1,1,0,0,0,0|2,0,0]=4 183 B13R2.155 CC1=NC2=CC(F)=CC=C2C=C1 5896 [1,1,0,0,0,0|2,0,0]=4 184 B13R2.155 ClC1=NC2=CC(Br)=CC=C2C=C1 27904 [1,1,0,0,0,0|2,0,0]=4 185 B13R2.155 ClC1=NC2=CC(Br)=CC=C2C=N1 14676 [1,1,0,0,0,0|1,0,0]=3 186 B13R2.155 FC1=CC=C2C=NC(Cl)=NC2=C1 14313 [1,1,0,0,0,0|1,0,0]=3 187 B13R2.155 NC1=CC2=CC(Br)=CC=C2C=N1 14694 [1,1,0,0,0,0|1,0,0]=3 188 B13R2.155 NC1=NC2=CC(Br)=CC=C2C=C1 34537 [1,1,0,0,0,0|1,0,0]=3 189 B13R2.155 NC1=NC2=CC(Cl)=CC=C2C=N1 14697 [1,1,0,0,0,0|0,0,0]=2 190 B13R2.155 NC1=NC2=CC(F)=CC=C2C=N1 14314 [1,1,0,0,0,0|0,0,0]=2 191 B13R2.162 CC1=NC2=C(Br)C=CC=C2C=C1 21848 [1,1,0,0,0,0|2,0,0]=4 192 B13R2.162 CC1=NC2=C(C)C=CC=C2C=C1 5878 [1,1,0,0,0,0|2,0,0]=4 193 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 5852 [1,1,0,0,0,0|2,0,0]=4 194 B13R2.162 CC1=NC2=C(O)C=CC=C2C=C1 24684 [1,1,0,0,0,0|2,0,0]=4 195 B13R2.162 ClC1=NC2=C(Br)C=CC=C2C=C1 16930 [1,1,0,0,0,0|2,0,0]=4 196 B13R2.162 ClC1=NC2=C(Br)C=CC=C2C=N1 14678 [1,1,0,0,0,0|1,0,0]=3 197 B13R2.162 ClC1=NC2=C(Cl)C=CC=C2C=C1 23770 [1,1,0,0,0,0|2,0,0]=4 198 B13R2.162 NC1=NC2=C(Br)C=CC=C2C=C1 27726 [1,1,0,0,0,0|1,0,0]=3 199 B13R2.162 OC1=NC2=C(O)C=CC=C2C=C1 7554 [1,1,0,0,0,0|2,0,0]=4 200 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl 12431 [1,1,0,0,0,0|2,0,0]=4 201 B13R2.369 ClC1=NC2=CC=CC=C2C=C1Br 35526 [1,1,0,0,0,0|2,0,0]=4 202 B13R2.369 NC1=CC2=CC=CC=C2C=C1N 15532 [1,1,0,0,0,0|2,0,0]=4 203 B13R2.3683 BrC1=CC=C2N=C(I)N=CC2=C1 33957 [1,1,0,0,0,0|1,0,0]=3 204 B13R2.3683 CC1=CC=C2N=C(C)C=CC2=C1 5876 [1,1,0,0,0,0|2,0,0]=4 205 B13R2.3683 CC1=CC=C2N=C(Cl)C=CC2=C1 13893 [1,1,0,0,0,0|2,0,0]=4 206 B13R2.3683 CC1=NC2=CC=C(Br)C=C2C=C1 5882 [1,1,0,0,0,0|2,0,0]=4 207 B13R2.3683 CC1=NC2=CC=C(F)C=C2C=C1 7579 [1,1,0,0,0,0|2,0,0]=4 208 B13R2.3683 ClC1=CC=C2N=C(Br)C=CC2=C1 25737 [1,1,0,0,0,0|2,0,0]=4 209 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2C=C1 14631 [1,1,0,0,0,0|2,0,0]=4 210 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2C=N1 14677 [1,1,0,0,0,0|1,0,0]=3 211 B13R2.3683 ClC1=NC2=CC=C(I)C=C2C=C1 14689 [1,1,0,0,0,0|2,0,0]=4 212 B13R2.3683 FC1=CC=C2N=C(Cl)N=CC2=C1 14302 [1,1,0,0,0,0|1,0,0]=3 213 B13R2.3683 NC1=CC2=CC=C(F)C=C2C=C1 27846 [1,1,0,0,0,0|2,0,0]=4 214 B13R2.3683 NC1=NC2=CC=C(Br)C=C2C=N1 16392 [1,1,0,0,0,0|0,0,0]=2 215 B13R2.3683 NC1=NC2=CC=C(Cl)C=C2C=N1 17841 [1,1,0,0,0,0|0,0,0]=2 216 B13R2.3683 NC1=NC2=CC=C(F)C=C2C=N1 14303 [1,1,0,0,0,0|0,0,0]=2 217 B13R2.3683 NC1=NC2=NC=C(Br)C=C2C=C1 20941 [1,1,0,0,0,0|2,0,0]=4 218 B13R2.3683 NC1=NC2=NC=C(Cl)C=C2C=C1 20940 [1,1,0,0,0,0|2,0,0]=4 219 B13R2.3683 O=C1N=CC2=CC(Br)=CC=C2N1 35223 [1,1,0,0,0,0|1,0,1]=4 220 B13R2.5179 ClC1=NC2=CC=CC(Cl)=C2C=C1 24683 [1,1,0,0,0,0|2,0,0]=4 221 B13R2.5179 NC1=CC=C2C(O)=CC=CC2=C1 12474 [1,1,0,0,0,0|2,0,0]=4 222 B13R2.5179 NC1=NC2=CC=CC(Br)=C2C=C1 27897 [1,1,0,0,0,0|1,0,0]=3 223 B13R2.5179 NC1=NC2=CC=CC(Cl)=C2C=N1 14696 [1,1,0,0,0,0|0,0,0]=2 224 B13R2.342 CC1=CC=NC2=C(Br)C=CC=C12 14354 [1,1,0,0,0,0|2,0,0]=4 225 B13R2.342 ClC1=NC=CC2=C(Br)C=CC=C12 27900 [1,1,0,0,0,0|2,0,0]=4 226 B13R2.342 ClC1=NC=NC2=C(Br)C=CC=C12 14636 [1,1,0,0,0,0|1,0,0]=3 227 B13R2.342 ClC1=NC=NC2=C(Cl)C=CC=C12 14629 [1,1,0,0,0,0|1,0,0]=3 228 B13R2.342 FC1=C2N=CC=C(Cl)C2=CC=C1 5886 [1,1,0,0,0,0|2,0,0]=4 229 B13R2.342 NC1=C2C=CN=C(Cl)C2=CC=C1 6280 [1,1,0,0,0,0|2,0,0]=4 230 B13R2.342 NC1=CC=CC2=C1C=CC=C2N 44874 [1,1,0,0,0,0|2,0,0]=4 231 B13R2.342 NC1=NC=CC2=C(Br)C=CC=C12 27899 [1,1,0,0,0,0|1,0,0]=3 232 B13R2.342 OC1=CC=CC2=C1C=CN=C2O 23962 [1,1,0,0,0,0|2,0,0]=4 233 B13R2.342 OC1=CC=NC2=C(Br)C=CC=C12 18682 [1,1,0,0,0,0|2,0,0]=4 234 B13R2.342 OC1=CC=NC2=C(F)C=CC=C12 5899 [1,1,0,0,0,0|2,0,0]=4 235 B13R2.342 OC1=NC=CC2=C(Br)C=CC=C12 27902 [1,1,0,0,0,0|2,0,0]=4 236 B13R2.371 CC1=CN=C(Br)C2=CC=CC=C12 34369 [1,1,0,0,0,0|2,0,0]=4 237 B13R2.371 CC1=CN=C(Cl)C2=CC=CC=C12 33682 [1,1,0,0,0,0|2,0,0]=4 238 B13R2.371 ClC1=NC=C(Br)C2=CC=CC=C21 17851 [1,1,0,0,0,0|2,0,0]=4 239 B13R2.371 NC1=CC=C(Br)C2=CC=CC=C12 13797 [1,1,0,0,0,0|2,0,0]=4 240 B13R2.371 NC1=CC=C(F)C2=CC=CC=C12 34136 [1,1,0,0,0,0|2,0,0]=4 241 B13R2.371 NC1=CC=C(O)C2=CC=CC=C12 34809 [1,1,0,0,0,0|2,0,0]=4 242 B13R2.371 NC1=CC=C(O)C2=CC=CC=C12 35375 [1,1,0,0,0,0|2,0,0]=4 243 B13R2.371 NC1=NC=C(Br)C2=CC=CC=C21 18937 [1,1,0,0,0,0|1,0,0]=3 244 B13R2.371 OC1=CN=C(Cl)C2=CC=CC=C12 18457 [1,1,0,0,0,0|2,0,0]=4 245 B13R2.1613 CCC1=NC=CC2=CC=CC=C21 17033 [1,1,0,0,0,0|2,0,0]=4 246 B13R2.1613 N#CC1=CC=NC2=CC=CC=C12 36145 [1,1,0,0,0,0|1,0,1]=4 247 B13R2.1613 N#CC1=NC=CC2=CC=CC=C21 6269 [1,1,0,0,0,0|1,0,1]=4 248 B13R2.1613 NCC1=CC=NC2=CC=CC=C12 12780 [1,1,0,0,0,0|1,0,0]=3 249 B13R2.1613 NNC1=CC=CC2=CC=CC=C21 12834 [1,1,0,0,0,0|2,0,0]=4 250 B13R2.1613 O=CC1=CC=NC2=CC=CC=C12 21887 [1,1,0,0,0,0|2,0,0]=4 251 B13R2.1613 O=CC1=NC=CC2=CC=CC=C21 23792 [1,1,0,0,0,0|2,0,0]=4 252 B13R2.1613 OCC1=CC=NC2=CC=CC=C12 27773 [1,1,0,0,0,0|2,0,0]=4 253 B13R2.4818 CC1=C2C(=O)NC=NC2=CC=C1 34331 [1,1,0,0,0,0|1,0,1]=4 254 B13R2.4818 ClC1=NC=NC2=CC=CC(Br)=C21 23153 [1,1,0,0,0,0|1,0,0]=3 255 B13R2.4818 ClC1=NC=NC2=CC=CC(Cl)=C21 18630 [1,1,0,0,0,0|1,0,0]=3 256 B13R2.4818 FC1=C2C(=CC=C1)N=CN=C2Cl 14648 [1,1,0,0,0,0|1,0,0]=3 257 B13R2.4818 NC1=NC=NC2=CC=CC(Br)=C21 25295 [1,1,0,0,0,0|0,0,0]=2 258 B13R2.4818 NC1=NC=NC2=CC=CC(F)=C21 14473 [1,1,0,0,0,0|0,0,0]=2 259 B13R2.4818 OC1=NC=NC2=CC=CC(F)=C21 6307 [1,1,0,0,0,0|1,0,0]=3 260 B13R2.5187 CN1N=C(N)C2=CC=C(O)C=C21 34752 [0,1,0,0,1,0|2,0,0]=4 261 B15R2.2713 ClCC1=NC2=CC=C(Br)C=C2C(Cl)=N1 20632 [0,2,0,0,0,0|2,0,0]=4 262 B15R2.20937 COC1=C2N=C(Cl)N=C(Cl)C2=CC=C1 23089 [0,2,0,0,0,0|2,0,0]=4 263 B15R2.20937 COC1=C2N=C(Cl)N=C(Cl)C2=CC=C1 25081 [0,2,0,0,0,0|2,0,0]=4 264 B15R2.21329 COC1=CC=C2N=C(C)C=C(N)C2=C1 23950 [0,2,0,0,0,0|2,0,0]=4 265 B15R2.21329 COC1=CC=C2N=C(Cl)N=C(Cl)C2=C1 18756 [0,2,0,0,0,0|2,0,0]=4 266 B15R2.21329 N#CC1=CC=C2N=C(Cl)N=C(Cl)C2=C1 23091 [0,2,0,0,0,0|2,0,0]=4 267 B15R2.21329 NC1=NC2=NC=C(CBr)N=C2C(N)=N1 32067 [0,2,0,0,0,0|2,0,0]=4 268 B15R2.21329 Nc1nc(N)c2nc(CO)cnc2n1 8650 [0,2,0,0,0,0|2,0,0]=4 269 B15R2.89396 COC1=CC=C2C(=C1)N=C(Cl)N=C2Cl 23097 [0,2,0,0,0,0|2,0,0]=4 270 B15R2.89396 N#CC1=CC=C2C(=C1)N=C(Cl)N=C2Cl 23082 [0,2,0,0,0,0|2,0,0]=4 271 B13R2.26 NCCC1=NC2=C(C=CC=C2)N1 35529 [0,0,1,1,0,0|1,0,1]=4 272 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 27480 [0,0,1,1,0,0|2,0,0]=4 273 B13R2.10 NC1=NC=C(C2=CC=CC=C2)S1 24996 [0,0,1,1,0,0|2,0,0]=4 274 B13R2.10 NC1=NN=C(C2=CC=CC=C2)N1 31893 [0,0,1,1,0,0|0,0,2]=4 275 B13R2.18 BrC1=C(C2=NC=CN2)C=CC=C1 24955 [0,0,1,1,0,0|2,0,0]=4 276 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 16346 [0,0,1,0,1,0|1,0,1]=4 277 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 19408 [0,0,1,0,1,0|1,0,1]=4 278 B11R2.1 BrC1=NNC2=CC=CC=C21 11861 [1,0,0,0,1,0|2,0,0]=4 279 B11R2.1 CC1=NNC2=CC=CC=C21 7820 [1,0,0,0,1,0|2,0,0]=4 280 B11R2.1 ClC1=NOC2=C1C=CC=C2 8716 [1,0,0,0,1,0|2,0,0]=4 281 B11R2.1 ClC1=NSC2=C1C=CC=C2 22324 [1,0,0,0,1,0|2,0,0]=4 282 B11R2.1 IC1=NNC2=CC=CC=C21 11868 [1,0,0,0,1,0|2,0,0]=4 283 B11R2.1 NC1=NCc2ccccc21 31698 [1,0,0,0,1,0|0,0,1]=3 284 B11R2.1 NC1=NNC2=C1C=NC=C2 32586 [1,0,0,0,1,0|2,0,0]=4 285 B11R2.1 NC1=NNC2=CC=CC=C21 11848 [1,0,0,0,1,0|1,0,0]=3 286 B11R2.1 NC1=NNC2=CN=CC=C21 33377 [1,0,0,0,1,0|2,0,0]=4 287 B11R2.1 NC1=NNC2=NC=CC=C12 18838 [1,0,0,0,1,0|2,0,0]=4 288 B11R2.1 NC1=NOC2=C1C=CC=C2 14511 [1,0,0,0,1,0|1,0,0]=3 289 B11R2.1 NN1N=NC2=C1C=CC=C2 19954 [1,0,0,0,1,0|2,0,0]=4 290 B11R2.1 OC1=NOC2=C1C=CC=C2 27626 [1,0,0,0,1,0|2,0,0]=4 291 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 13460 [1,0,0,0,1,0|2,0,0]=4 292 B11R2.10 BrC1=CC2=CC=CC=C2C1 9657 [1,0,0,0,1,0|2,0,0]=4 293 B11R2.10 BrC1=CN2C=CC=CC2=N1 22085 [1,0,0,0,1,0|2,0,0]=4 294 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 16113 [1,0,0,0,1,0|1,0,1]=4 295 B11R2.10 BrC1=NC2=C(C=CC=C2)O1 33485 [1,0,0,0,1,0|2,0,0]=4 296 B11R2.10 CC1=CC2=CC=CC=C2C1 5381 [1,0,0,0,1,0|2,0,0]=4 297 B11R2.10 CC1=CC2=CC=CC=C2N1 7504 [1,0,0,0,1,0|1,0,1]=4 298 B11R2.10 CC1=CN2C=CC=CC2=N1 27917 [1,0,0,0,1,0|2,0,0]=4 299 B11R2.10 CC1=NC2=C(C=CC=C2)N1 7540 [1,0,0,0,1,0|1,0,1]=4 300 B11R2.10 CC1=NC2=C(C=CC=C2)O1 8631 [1,0,0,0,1,0|2,0,0]=4 301 B11R2.10 CC1=NC2=C(C=CC=C2)S1 10877 [1,0,0,0,1,0|2,0,0]=4 302 B11R2.10 CN1C=C2C=CC=CC2=N1 15667 [1,0,0,0,1,0|2,0,0]=4 303 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 7598 [1,0,0,0,1,0|1,0,1]=4 304 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 21885 [1,0,0,0,1,0|2,0,0]=4 305 B11R2.10 ClC1=NC2=C(C=CC=C2)S1 21853 [1,0,0,0,1,0|2,0,0]=4 306 B11R2.10 FC1=NC2=C(C=CC=C2)N1 13608 [1,0,0,0,1,0|1,0,1]=4 307 B11R2.10 NC1=NC2=C(C=CC=C2)N1 9020 [1,0,0,0,1,0|0,0,1]=3 308 B11R2.10 NC1=NC2=C(C=CC=C2)O1 17695 [1,0,0,0,1,0|1,0,0]=3 309 B11R2.10 NC1=NC2=C(C=CC=C2)S1 13382 [1,0,0,0,1,0|1,0,0]=3 310 B11R2.10 NC1=NC2=C(C=CN=C2)O1 33487 [1,0,0,0,1,0|2,0,0]=4 311 B11R2.10 NC1=NC2=C(C=CN=C2)S1 27921 [1,0,0,0,1,0|2,0,0]=4 312 B11R2.10 NC1=NC2=C(C=NC=C2)O1 34279 [1,0,0,0,1,0|2,0,0]=4 313 B11R2.10 NC1=NC2=CC=CN=C2O1 33489 [1,0,0,0,1,0|2,0,0]=4 314 B11R2.10 NC1=NC2=NC=CC=C2N1 33492 [1,0,0,0,1,0|1,0,1]=4 315 B11R2.10 OC1=CN2C=CC=CC2=N1 23702 [1,0,0,0,1,0|2,0,0]=4 316 B11R2.10 OC1=NC2=C(C=CC=C2)N1 7606 [1,0,0,0,1,0|1,0,1]=4 317 B11R2.10 SC1=NC2=C(C=CC=C2)N1 13567 [1,0,0,0,1,0|1,0,1]=4 318 B11R2.10 SC1=NC2=C(C=CC=C2)O1 8630 [1,0,0,0,1,0|2,0,0]=4 319 B11R2.10 SC1=NC2=C(C=CC=C2)S1 20577 [1,0,0,0,1,0|2,0,0]=4 320 B11R2.36 CC1=NC2=C(C=N1)SC=C2 20760 [1,0,0,0,1,0|2,0,0]=4 321 B11R2.36 ClC1=NC2=C(C=CN2)C=N1 17588 [1,0,0,0,1,0|2,0,0]=4 322 B11R2.36 ClC1=NC2=C(C=CS2)C=N1 20762 [1,0,0,0,1,0|2,0,0]=4 323 B11R2.36 ClC1=NC2=C(C=N1)NC=C2 20802 [1,0,0,0,1,0|2,0,0]=4 324 B11R2.36 ClC1=NC2=C(C=N1)SC=C2 30453 [1,0,0,0,1,0|2,0,0]=4 325 B11R2.36 NC1=CC=C2NC=CC2=N1 21860 [1,0,0,0,1,0|2,0,0]=4 326 B11R2.36 NC1=NC=C2NC=NC2=N1 9263 [1,0,0,0,1,0|2,0,0]=4 327 B11R2.106 BrC1=NC=NC2=C1C=CN2 14946 [1,0,0,0,1,0|2,0,0]=4 328 B11R2.106 Brc1ncnn2cccc12 14716 [1,0,0,0,1,0|2,0,0]=4 329 B11R2.106 ClC1=NC=NC2=C1C=CS2 14686 [1,0,0,0,1,0|2,0,0]=4 330 B11R2.106 ClC1=NC=NC2=C1NC=C2 15436 [1,0,0,0,1,0|2,0,0]=4 331 B11R2.106 ClC1=NC=NC2=C1SC=C2 14662 [1,0,0,0,1,0|2,0,0]=4 332 B11R2.106 Clc1ncnn2cccc12 14715 [1,0,0,0,1,0|2,0,0]=4 333 B11R2.106 NC1=C2C=NNC2=NC=N1 16190 [1,0,0,0,1,0|2,0,0]=4 334 B11R2.106 NC1=C2NC=NC2=NC=N1 14133 [1,0,0,0,1,0|2,0,0]=4 335 B11R2.106 NC1=C2NC=NC2=NC=N1 9571 [1,0,0,0,1,0|2,0,0]=4 336 B11R2.106 NC1=C2NC=NC2=NC=N1 9587 [1,0,0,0,1,0|2,0,0]=4 337 B11R2.106 NC1=C2NC=NC2=NC=N1 9684 [1,0,0,0,1,0|2,0,0]=4 338 B11R2.106 NC1=C2NC=NC2=NC=N1 9685 [1,0,0,0,1,0|2,0,0]=4 339 B11R2.106 NC1=C2OC=CC2=NC=C1 26912 [1,0,0,0,1,0|2,0,0]=4 340 B11R2.106 NC1=CC=NC2=C1C=CN2 26875 [1,0,0,0,1,0|2,0,0]=4 341 B11R2.106 NC1=NC=NC2=C1C=CN2 13042 [1,0,0,0,1,0|1,0,0]=3 342 B11R2.106 NC1=NC=NC2=C1C=CN2 14980 [1,0,0,0,1,0|1,0,0]=3 343 B11R2.106 NC1=NC=NC2=C1C=CS2 18846 [1,0,0,0,1,0|1,0,0]=3 344 B11R2.106 NC1=NC=NC2=C1SC=C2 18840 [1,0,0,0,1,0|1,0,0]=3 345 B11R2.106 NC1=NC=NN2C=CC=C12 23063 [1,0,0,0,1,0|1,0,0]=3 346 B11R2.106 OC1=NC=NC2=C1NC=C2 23147 [1,0,0,0,1,0|2,0,0]=4 347 B13R2.33 O=C1C=NC2=C(C=CC=C2)C=N1 2017 [1,0,0,0,0,1|1,0,0]=3