0 B13R2.1613 BrCc1cccc2ccccc12 9389 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.1613 C=CC1=CC=CC2=CC=CC=C12 36031 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.1613 CCC1=NC=CC2=CC=CC=C21 17033 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.1613 ClCC1=CC=CC2=CC=CC=C21 9371 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.1613 N#CC1=CC=CC2=CC=CC=C12 9368 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.1613 N#CC1=CN=CC2=CC=CC=C12 16890 [0,0,0,0,0,0|2,0,1]=3 6 B13R2.1613 N#CC1=NC=CC2=CC=CC=C21 6269 [0,0,0,0,0,0|2,0,1]=3 7 B13R2.1613 NCC1=CC=NC2=CC=CC=C12 12780 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.1613 NNC1=CC=CC2=CC=CC=C21 12834 [0,0,0,0,0,0|2,0,0]=2 9 B13R2.1613 N\N=C1\NN=CC2=CC=CC=C21 25693 [0,0,0,0,0,0|0,0,2]=2 10 B13R2.1613 O=CC1=CC=CC2=CC=CC=C12 9369 [0,0,0,0,0,0|4,0,0]=4 11 B13R2.1613 O=CC1=CN=CC2=CC=CC=C21 15962 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.1613 O=CC1=NC=CC2=CC=CC=C21 23792 [0,0,0,0,0,0|3,0,0]=3 13 B13R2.1613 OCC1=CC=CC2=CC=CC=C21 18751 [0,0,0,0,0,0|4,0,0]=4 14 B12R2.1081 BrC1=C2N=CC=CC2=CN=C1 33508 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 6212 [1,0,0,0,0,0|2,0,0]=3 16 B12R2.1081 BrC1=NC=CC2=CC=CC=C21 6211 [1,0,0,0,0,0|2,0,0]=3 17 B12R2.1081 BrC1=NC=CC2=CC=NC=C21 33503 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.1081 Brc1cccc2ccccc12 36195 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.1081 CC1=NC=CC2=CC=CC=C21 17034 [1,0,0,0,0,0|2,0,0]=3 20 B12R2.1081 ClC1=C2C=CC=NC2=CC=N1 14684 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.1081 ClC1=C2N=CC=CC2=CC=N1 33824 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.1081 ClC1=CC=CC2=CC=CC=C12 9388 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.1081 ClC1=CN=NC2=CC=CC=C12 19950 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 13906 [1,0,0,0,0,0|2,0,0]=3 25 B12R2.1081 ClC1=NC=CC2=CC=NC=C21 33500 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.1081 ClC1=NC=NC2=CC=CC=C21 18629 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.1081 FC1=CC=CC2=CC=CC=C12 10866 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.1081 FC1=CN=CC2=CN=CC=C12 33502 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.1081 IC1=CC=CC2=CC=CC=C12 28941 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 7576 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.1081 NC1=C2C=CN=CC2=CC=C1 7569 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.1081 NC1=C2C=NC=CC2=CC=C1 6251 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 7574 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.1081 NC1=C2N=CC=CC2=CC=N1 6410 [1,0,0,0,0,0|2,0,0]=3 35 B12R2.1081 NC1=CC=CC2=CC=CC=C12 23886 [1,0,0,0,0,0|2,0,0]=3 36 B12R2.1081 NC1=CC=NC2=CC=CC=C12 12777 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.1081 NC1=CN=CC2=CC=CC=C12 12825 [1,0,0,0,0,0|1,0,0]=2 38 B12R2.1081 NC1=NC=CC2=CC=CC=C21 18941 [1,0,0,0,0,0|1,0,0]=2 39 B12R2.1081 NC1=NC=CC2=CC=NC=C21 33499 [1,0,0,0,0,0|2,0,0]=3 40 B12R2.1081 NC1=NC=NC2=C1C=NC=C2 33509 [1,0,0,0,0,0|3,0,0]=4 41 B12R2.1081 O=C1N=NNC2=C1C=CC=C2 14541 [1,0,0,0,0,0|2,0,0]=3 42 B12R2.1081 O=C1NN=CC2=CC=CC=C12 14642 [1,0,0,0,0,0|1,0,1]=3 43 B12R2.1081 O=C1NN=CC2=CC=CC=C12 33495 [1,0,0,0,0,0|1,0,1]=3 44 B12R2.1081 OC1=CC=CC2=CC=CC=C12 16938 [1,0,0,0,0,0|3,0,0]=4 45 B12R2.1081 OC1=CN=CC2=CC=CC=C12 12381 [1,0,0,0,0,0|2,0,0]=3 46 B12R2.1081 OC1=NC=CC2=CC=CC=C21 6257 [1,0,0,0,0,0|2,0,0]=3 47 B12R2.1081 OC1=NC=NC2=CC=CC=C21 30410 [1,0,0,0,0,0|3,0,0]=4 48 B14R2.1131 NNC1=NN=C(Cl)C2=CC=CC=C21 19239 [0,1,0,0,0,0|0,0,0]=1 49 B14R2.7150 CNCC1=CC=CC2=CC=CC=C21 9386 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.7150 CNCC1=CC=CC2=CC=CC=C21 9387 [0,1,0,0,0,0|3,0,0]=4 51 B14R2.31359 CC(C)C1=NC=CC2=CC=CC=C21 17035 [0,1,0,0,0,0|3,0,0]=4 52 B14R2.31359 CC(N)c1cccc2ccccc12 9361 [0,1,0,0,0,0|3,0,0]=4 53 B14R2.31359 C[C@@H](N)c1cccc2ccccc12 7986 [0,1,0,0,0,0|3,0,0]=4 54 B14R2.31359 C[C@H](N)c1cccc2ccccc12 7988 [0,1,0,0,0,0|3,0,0]=4 55 B14R2.31359 O=C(O)C1=NC=CC2=CC=CC=C21 7537 [0,1,0,0,0,0|3,0,0]=4 56 B14R2.31359 O=[N+]([O-])C1=CN=CC2=CC=CC=C21 6273 [0,1,0,0,0,0|2,0,1]=4 57 B14R2.31359 O=[N+]([O-])C1=NC=CC2=CC=CC=C21 27743 [0,1,0,0,0,0|2,0,1]=4 58 B14R2.31359 OB(O)C1=CN=CC2=CC=CC=C21 29506 [0,1,0,0,0,0|3,0,0]=4 59 B14R2.31359 OB(O)C1=CN=CC2=CC=CC=C21 6291 [0,1,0,0,0,0|3,0,0]=4 60 B12R2.1 BrCC1=NOC2=C1C=CC=C2 26214 [0,0,0,0,1,0|3,0,0]=4 61 B12R2.1 ClCN1N=NC2=C1C=CC=C2 21116 [0,0,0,0,1,0|3,0,0]=4 62 B12R2.1 N#CC1=NNC2=CC=CC=C21 11864 [0,0,0,0,1,0|1,0,2]=4 63 B12R2.1 NCC1=CN=C2C=CC=CN12 17881 [0,0,0,0,1,0|3,0,0]=4 64 B12R2.1 O=CC1=NNC2=CC=CC=C21 11853 [0,0,0,0,1,0|2,0,1]=4 65 B12R2.1 OCC1=NNC2=CC=CC=C21 11866 [0,0,0,0,1,0|2,0,1]=4 66 B11R1.222 NNC(=O)C1=C(Br)C=CC=C1 3742 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.222 NNC(=O)C1=C(F)C=CC=C1 3481 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.222 NNC(=O)C1=CC=CC=C1O 22912 [1,0,1,0,0,0|2,0,0]=4 69 B11R2.20 C1=CC2=CC=NC=C2C=N1 18345 [2,0,0,0,0,0|2,0,0]=4 70 B11R2.20 C1=CC2=CN=CC=C2N=C1 18071 [2,0,0,0,0,0|2,0,0]=4 71 B11R2.20 C1=CC=C2C=NC=CC2=C1 7536 [2,0,0,0,0,0|1,0,0]=3 72 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=N1 27750 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.32 NC1=C(N)C2=CC=CC=C2C=C1 35202 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.162 CC1=CC=C2C=CN=C(Cl)C2=C1 34167 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.162 NC1=CC=CC2=CC=C(O)C=C12 22270 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.162 NC1=NC=CC2=CC=C(Br)C=C21 20347 [1,1,0,0,0,0|1,0,0]=3 77 B13R2.162 NC1=NC=NC2=CC=C(Cl)C=C21 35171 [1,1,0,0,0,0|2,0,0]=4 78 B13R2.162 NC1=NC=NC2=CC=C(F)C=C21 34460 [1,1,0,0,0,0|2,0,0]=4 79 B13R2.162 OC1=CC=C2C=CN=C(Cl)C2=C1 34766 [1,1,0,0,0,0|2,0,0]=4 80 B13R2.328 CC1=CC2=CC=CC=C2C(Cl)=N1 19783 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.328 CC1=CC2=CC=CC=C2C(O)=N1 27723 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.328 ClC1=CC2=CC=CC=C2C(Cl)=N1 7254 [1,1,0,0,0,0|2,0,0]=4 83 B13R2.342 ClC1=NC=CC2=C(Br)C=CC=C12 27900 [1,1,0,0,0,0|2,0,0]=4 84 B13R2.342 NC1=C2C=CN=C(Cl)C2=CC=C1 6280 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.342 NC1=C2C=NC=C(Br)C2=CC=C1 31674 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.342 NC1=CC=CC2=C1C=CC=C2N 44874 [1,1,0,0,0,0|2,0,0]=4 87 B13R2.342 NC1=NC=CC2=C(Br)C=CC=C12 27899 [1,1,0,0,0,0|1,0,0]=3 88 B13R2.342 O=C1NN=CC2=C(F)C=CC=C12 33496 [1,1,0,0,0,0|1,0,1]=4 89 B13R2.342 OC1=CC=CC2=C1C=CN=C2O 23962 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.342 OC1=NC=CC2=C(Br)C=CC=C12 27902 [1,1,0,0,0,0|2,0,0]=4 91 B13R2.371 CC1=CN=C(Br)C2=CC=CC=C12 34369 [1,1,0,0,0,0|2,0,0]=4 92 B13R2.371 CC1=CN=C(Cl)C2=CC=CC=C12 33682 [1,1,0,0,0,0|2,0,0]=4 93 B13R2.371 ClC1=NC=C(Br)C2=CC=CC=C21 17851 [1,1,0,0,0,0|2,0,0]=4 94 B13R2.371 ClC1=NN=C(Cl)C2=C1C=CN=C2 17946 [1,1,0,0,0,0|2,0,0]=4 95 B13R2.371 ClC1=NN=C(Cl)C2=CC=CC=C21 23238 [1,1,0,0,0,0|1,0,0]=3 96 B13R2.371 NC1=CC=C(Br)C2=CC=CC=C12 13797 [1,1,0,0,0,0|2,0,0]=4 97 B13R2.371 NC1=CC=C(F)C2=CC=CC=C12 34136 [1,1,0,0,0,0|2,0,0]=4 98 B13R2.371 NC1=CC=C(O)C2=CC=CC=C12 34809 [1,1,0,0,0,0|2,0,0]=4 99 B13R2.371 NC1=CC=C(O)C2=CC=CC=C12 35375 [1,1,0,0,0,0|2,0,0]=4 100 B13R2.371 NC1=NC=C(Br)C2=CC=CC=C21 18937 [1,1,0,0,0,0|1,0,0]=3 101 B13R2.371 OC1=CN=C(Cl)C2=CC=CC=C12 18457 [1,1,0,0,0,0|2,0,0]=4 102 B13R2.4818 NC1=NC=NC2=CC=CC(Br)=C21 25295 [1,1,0,0,0,0|2,0,0]=4 103 B13R2.4818 NC1=NC=NC2=CC=CC(F)=C21 14473 [1,1,0,0,0,0|2,0,0]=4 104 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 34782 [1,1,0,0,0,0|2,0,0]=4 105 B13R2.5179 ClC1=CC=C2C(=C1)C=CN=C2Cl 29719 [1,1,0,0,0,0|2,0,0]=4 106 B13R2.5179 ClC1=NC=CC2=CC(Br)=CC=C21 23144 [1,1,0,0,0,0|2,0,0]=4 107 B13R2.5179 NC1=CC=CC2=CC(F)=CC=C12 34829 [1,1,0,0,0,0|2,0,0]=4 108 B13R2.5179 NC1=NC=CC2=CC(Br)=CC=C21 14693 [1,1,0,0,0,0|1,0,0]=3 109 B13R2.5179 NC1=NC=CC2=CC(Cl)=CC=C21 34797 [1,1,0,0,0,0|1,0,0]=3 110 B13R2.5179 NC1=NC=NC2=CC(F)=CC=C21 14307 [1,1,0,0,0,0|2,0,0]=4 111 B13R2.1 NCCC1=NNC2=CC=CC=C21 11854 [0,1,0,0,1,0|1,0,1]=4 112 B13R2.72 NC(=S)C1=NNC2=CC=CC=C21 11860 [0,1,0,0,1,0|1,0,1]=4 113 B11R2.1 BrC1=NN=C2C=CC=CN12 33798 [1,0,0,0,1,0|2,0,0]=4 114 B11R2.1 BrC1=NNC2=CC=CC=C21 11861 [1,0,0,0,1,0|1,0,1]=4 115 B11R2.1 CC1=NNC2=CC=CC=C21 7820 [1,0,0,0,1,0|1,0,1]=4 116 B11R2.1 CN1N=NC2=C1C=CC=C2 28190 [1,0,0,0,1,0|2,0,0]=4 117 B11R2.1 ClC1=NOC2=C1C=CC=C2 8716 [1,0,0,0,1,0|2,0,0]=4 118 B11R2.1 ClC1=NSC2=C1C=CC=C2 22324 [1,0,0,0,1,0|2,0,0]=4 119 B11R2.1 IC1=NNC2=CC=CC=C21 11868 [1,0,0,0,1,0|1,0,1]=4 120 B11R2.1 NC1=NCc2ccccc21 31698 [1,0,0,0,1,0|0,0,1]=3 121 B11R2.1 NC1=NNC2=C1C=NC=C2 32586 [1,0,0,0,1,0|1,0,1]=4 122 B11R2.1 NC1=NNC2=CC=CC=C21 11848 [1,0,0,0,1,0|0,0,1]=3 123 B11R2.1 NC1=NNC2=CN=CC=C21 33377 [1,0,0,0,1,0|1,0,1]=4 124 B11R2.1 NC1=NNC2=NC=CC=C12 18838 [1,0,0,0,1,0|1,0,1]=4 125 B11R2.1 NC1=NOC2=C1C=CC=C2 14511 [1,0,0,0,1,0|1,0,0]=3 126 B11R2.1 NN1N=NC2=C1C=CC=C2 19954 [1,0,0,0,1,0|1,0,0]=3 127 B11R2.1 OC1=NOC2=C1C=CC=C2 27626 [1,0,0,0,1,0|2,0,0]=4 128 B11R2.1 ON1N=NC2=C1C=CC=C2 12739 [1,0,0,0,1,0|2,0,0]=4 129 B11R2.1 ON1N=NC2=C1C=CC=C2 35769 [1,0,0,0,1,0|2,0,0]=4 130 B11R2.1 ON1N=NC2=C1C=CC=C2 9767 [1,0,0,0,1,0|2,0,0]=4